USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 879 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot 92:sc= -1.22 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.896 K(o=-2.1,f=-4.7!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0845 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 14:sc= -0.96 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 17:sc= -0.29! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.249 K(o=-0.25,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.688 (180deg=-1.58!) USER MOD Single : A 47 THR OG1 : rot -52:sc= 0.0852 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -7.91! C(o=-7.9!,f=-6!) USER MOD Single : A 70 LYS NZ :NH3+ -127:sc= -0.599 (180deg=-2.08!) USER MOD Single : A 71 GLN : amide:sc= -0.0079 X(o=-0.0079,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -3.88! C(o=-3.9!,f=-5.1!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -156:sc= -5.46! (180deg=-7.73!) USER MOD Single : A 85 SER OG : rot -50:sc= 0.83 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -132:sc= -2.48! USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 96 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.01) USER MOD Single : A 101 TYR OH : rot 30:sc= -2.43! USER MOD Single : A 104 LYS NZ :NH3+ -108:sc= 0.42 (180deg=-0.667) USER MOD Single : A 120 SER OG : rot 86:sc= 1.11 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot -71:sc= 0.589 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.818 -3.293 -1.065 1.00 2.24 N ATOM 36 CA ARG A 3 5.011 -3.464 -1.885 1.00 72.43 C ATOM 37 C ARG A 3 5.485 -4.914 -1.858 1.00 64.41 C ATOM 38 O ARG A 3 6.275 -5.336 -2.702 1.00 5.41 O ATOM 39 CB ARG A 3 6.129 -2.541 -1.397 1.00 71.42 C ATOM 40 CG ARG A 3 6.897 -3.092 -0.207 1.00 21.12 C ATOM 41 CD ARG A 3 6.013 -3.200 1.025 1.00 35.53 C ATOM 42 NE ARG A 3 5.433 -1.913 1.398 1.00 51.20 N ATOM 43 CZ ARG A 3 6.137 -0.911 1.913 1.00 64.23 C ATOM 44 NH1 ARG A 3 7.441 -1.048 2.114 1.00 13.13 N ATOM 45 NH2 ARG A 3 5.538 0.230 2.226 1.00 3.45 N ATOM 0 HA ARG A 3 4.756 -3.202 -2.912 1.00 72.43 H new ATOM 0 HB2 ARG A 3 6.825 -2.362 -2.217 1.00 71.42 H new ATOM 0 HB3 ARG A 3 5.700 -1.576 -1.127 1.00 71.42 H new ATOM 0 HG2 ARG A 3 7.299 -4.074 -0.455 1.00 21.12 H new ATOM 0 HG3 ARG A 3 7.747 -2.445 0.010 1.00 21.12 H new ATOM 0 HD2 ARG A 3 5.214 -3.916 0.836 1.00 35.53 H new ATOM 0 HD3 ARG A 3 6.599 -3.589 1.858 1.00 35.53 H new ATOM 0 HE ARG A 3 4.432 -1.776 1.255 1.00 51.20 H new ATOM 0 HH11 ARG A 3 7.905 -1.924 1.873 1.00 13.13 H new ATOM 0 HH12 ARG A 3 7.980 -0.277 2.509 1.00 13.13 H new ATOM 0 HH21 ARG A 3 4.536 0.339 2.071 1.00 3.45 H new ATOM 0 HH22 ARG A 3 6.080 0.999 2.621 1.00 3.45 H new ATOM 59 N GLY A 4 4.998 -5.673 -0.881 1.00 75.44 N ATOM 60 CA GLY A 4 5.383 -7.067 -0.762 1.00 63.30 C ATOM 61 C GLY A 4 4.233 -7.952 -0.322 1.00 43.44 C ATOM 62 O GLY A 4 3.776 -7.865 0.818 1.00 61.13 O ATOM 0 H GLY A 4 4.344 -5.347 -0.170 1.00 75.44 H new ATOM 0 HA2 GLY A 4 5.762 -7.419 -1.722 1.00 63.30 H new ATOM 0 HA3 GLY A 4 6.200 -7.155 -0.045 1.00 63.30 H new ATOM 66 N ILE A 5 3.764 -8.803 -1.228 1.00 52.22 N ATOM 67 CA ILE A 5 2.660 -9.706 -0.927 1.00 53.43 C ATOM 68 C ILE A 5 3.149 -10.943 -0.183 1.00 31.22 C ATOM 69 O ILE A 5 4.203 -11.495 -0.499 1.00 3.45 O ATOM 70 CB ILE A 5 1.928 -10.147 -2.209 1.00 2.13 C ATOM 71 CG1 ILE A 5 1.175 -8.966 -2.825 1.00 2.14 C ATOM 72 CG2 ILE A 5 0.973 -11.291 -1.906 1.00 33.33 C ATOM 73 CD1 ILE A 5 0.823 -9.167 -4.282 1.00 23.41 C ATOM 0 H ILE A 5 4.131 -8.886 -2.176 1.00 52.22 H new ATOM 0 HA ILE A 5 1.965 -9.155 -0.293 1.00 53.43 H new ATOM 0 HB ILE A 5 2.667 -10.497 -2.929 1.00 2.13 H new ATOM 0 HG12 ILE A 5 0.260 -8.794 -2.259 1.00 2.14 H new ATOM 0 HG13 ILE A 5 1.784 -8.067 -2.727 1.00 2.14 H new ATOM 0 HG21 ILE A 5 0.463 -11.592 -2.821 1.00 33.33 H new ATOM 0 HG22 ILE A 5 1.533 -12.137 -1.508 1.00 33.33 H new ATOM 0 HG23 ILE A 5 0.237 -10.965 -1.171 1.00 33.33 H new ATOM 0 HD11 ILE A 5 0.291 -8.291 -4.652 1.00 23.41 H new ATOM 0 HD12 ILE A 5 1.736 -9.308 -4.861 1.00 23.41 H new ATOM 0 HD13 ILE A 5 0.188 -10.047 -4.385 1.00 23.41 H new ATOM 85 N VAL A 6 2.374 -11.376 0.807 1.00 65.40 N ATOM 86 CA VAL A 6 2.727 -12.551 1.595 1.00 32.23 C ATOM 87 C VAL A 6 1.637 -13.614 1.515 1.00 71.11 C ATOM 88 O VAL A 6 0.477 -13.354 1.836 1.00 44.10 O ATOM 89 CB VAL A 6 2.964 -12.185 3.073 1.00 71.34 C ATOM 90 CG1 VAL A 6 3.682 -13.316 3.794 1.00 12.42 C ATOM 91 CG2 VAL A 6 3.751 -10.888 3.180 1.00 21.11 C ATOM 0 H VAL A 6 1.498 -10.931 1.082 1.00 65.40 H new ATOM 0 HA VAL A 6 3.650 -12.949 1.174 1.00 32.23 H new ATOM 0 HB VAL A 6 1.997 -12.037 3.553 1.00 71.34 H new ATOM 0 HG11 VAL A 6 3.841 -13.040 4.836 1.00 12.42 H new ATOM 0 HG12 VAL A 6 3.076 -14.221 3.747 1.00 12.42 H new ATOM 0 HG13 VAL A 6 4.645 -13.499 3.316 1.00 12.42 H new ATOM 0 HG21 VAL A 6 3.910 -10.644 4.230 1.00 21.11 H new ATOM 0 HG22 VAL A 6 4.715 -11.006 2.685 1.00 21.11 H new ATOM 0 HG23 VAL A 6 3.193 -10.083 2.701 1.00 21.11 H new ATOM 101 N TRP A 7 2.017 -14.812 1.085 1.00 41.41 N ATOM 102 CA TRP A 7 1.071 -15.915 0.963 1.00 65.33 C ATOM 103 C TRP A 7 1.172 -16.854 2.160 1.00 3.32 C ATOM 104 O TRP A 7 2.261 -17.300 2.522 1.00 43.41 O ATOM 105 CB TRP A 7 1.325 -16.691 -0.331 1.00 43.42 C ATOM 106 CG TRP A 7 0.894 -15.951 -1.561 1.00 54.12 C ATOM 107 CD1 TRP A 7 0.276 -14.734 -1.611 1.00 74.12 C ATOM 108 CD2 TRP A 7 1.046 -16.382 -2.918 1.00 10.10 C ATOM 109 NE1 TRP A 7 0.035 -14.383 -2.918 1.00 14.44 N ATOM 110 CE2 TRP A 7 0.499 -15.376 -3.738 1.00 75.15 C ATOM 111 CE3 TRP A 7 1.593 -17.518 -3.520 1.00 23.12 C ATOM 112 CZ2 TRP A 7 0.483 -15.476 -5.127 1.00 53.51 C ATOM 113 CZ3 TRP A 7 1.577 -17.615 -4.898 1.00 74.31 C ATOM 114 CH2 TRP A 7 1.025 -16.599 -5.690 1.00 2.15 C ATOM 0 H TRP A 7 2.973 -15.044 0.815 1.00 41.41 H new ATOM 0 HA TRP A 7 0.065 -15.496 0.937 1.00 65.33 H new ATOM 0 HB2 TRP A 7 2.388 -16.919 -0.407 1.00 43.42 H new ATOM 0 HB3 TRP A 7 0.797 -17.643 -0.285 1.00 43.42 H new ATOM 0 HD1 TRP A 7 0.015 -14.136 -0.751 1.00 74.12 H new ATOM 0 HE1 TRP A 7 -0.416 -13.522 -3.227 1.00 14.44 H new ATOM 0 HE3 TRP A 7 2.021 -18.306 -2.919 1.00 23.12 H new ATOM 0 HZ2 TRP A 7 0.057 -14.694 -5.739 1.00 53.51 H new ATOM 0 HZ3 TRP A 7 1.997 -18.489 -5.373 1.00 74.31 H new ATOM 0 HH2 TRP A 7 1.028 -16.705 -6.765 1.00 2.15 H new ATOM 125 N VAL A 8 0.030 -17.150 2.772 1.00 21.31 N ATOM 126 CA VAL A 8 -0.010 -18.037 3.929 1.00 63.34 C ATOM 127 C VAL A 8 -0.579 -19.401 3.556 1.00 62.55 C ATOM 128 O VAL A 8 -1.442 -19.509 2.684 1.00 21.12 O ATOM 129 CB VAL A 8 -0.853 -17.436 5.069 1.00 50.35 C ATOM 130 CG1 VAL A 8 -0.848 -18.356 6.279 1.00 33.25 C ATOM 131 CG2 VAL A 8 -0.339 -16.052 5.438 1.00 72.40 C ATOM 0 H VAL A 8 -0.880 -16.789 2.486 1.00 21.31 H new ATOM 0 HA VAL A 8 1.018 -18.156 4.272 1.00 63.34 H new ATOM 0 HB VAL A 8 -1.882 -17.336 4.724 1.00 50.35 H new ATOM 0 HG11 VAL A 8 -1.449 -17.915 7.074 1.00 33.25 H new ATOM 0 HG12 VAL A 8 -1.267 -19.323 6.002 1.00 33.25 H new ATOM 0 HG13 VAL A 8 0.175 -18.491 6.630 1.00 33.25 H new ATOM 0 HG21 VAL A 8 -0.946 -15.642 6.245 1.00 72.40 H new ATOM 0 HG22 VAL A 8 0.698 -16.124 5.765 1.00 72.40 H new ATOM 0 HG23 VAL A 8 -0.401 -15.397 4.569 1.00 72.40 H new ATOM 141 N VAL A 9 -0.090 -20.443 4.222 1.00 41.24 N ATOM 142 CA VAL A 9 -0.551 -21.801 3.961 1.00 23.45 C ATOM 143 C VAL A 9 -0.251 -22.719 5.142 1.00 52.32 C ATOM 144 O VAL A 9 0.772 -22.572 5.811 1.00 34.21 O ATOM 145 CB VAL A 9 0.104 -22.383 2.694 1.00 34.23 C ATOM 146 CG1 VAL A 9 1.580 -22.658 2.934 1.00 63.11 C ATOM 147 CG2 VAL A 9 -0.618 -23.648 2.255 1.00 33.12 C ATOM 0 H VAL A 9 0.625 -20.372 4.946 1.00 41.24 H new ATOM 0 HA VAL A 9 -1.629 -21.746 3.811 1.00 23.45 H new ATOM 0 HB VAL A 9 0.022 -21.648 1.893 1.00 34.23 H new ATOM 0 HG11 VAL A 9 2.026 -23.069 2.028 1.00 63.11 H new ATOM 0 HG12 VAL A 9 2.085 -21.729 3.198 1.00 63.11 H new ATOM 0 HG13 VAL A 9 1.689 -23.374 3.749 1.00 63.11 H new ATOM 0 HG21 VAL A 9 -0.142 -24.046 1.359 1.00 33.12 H new ATOM 0 HG22 VAL A 9 -0.569 -24.390 3.052 1.00 33.12 H new ATOM 0 HG23 VAL A 9 -1.661 -23.416 2.040 1.00 33.12 H new ATOM 157 N ASP A 10 -1.149 -23.665 5.391 1.00 35.11 N ATOM 158 CA ASP A 10 -0.981 -24.609 6.490 1.00 11.53 C ATOM 159 C ASP A 10 -2.070 -25.676 6.461 1.00 31.45 C ATOM 160 O ASP A 10 -1.885 -26.751 5.890 1.00 43.12 O ATOM 161 CB ASP A 10 -1.007 -23.873 7.831 1.00 44.52 C ATOM 162 CG ASP A 10 -1.156 -24.817 9.007 1.00 21.12 C ATOM 163 OD1 ASP A 10 -0.626 -25.945 8.933 1.00 61.23 O ATOM 164 OD2 ASP A 10 -1.804 -24.429 10.002 1.00 4.40 O ATOM 0 H ASP A 10 -2.001 -23.799 4.847 1.00 35.11 H new ATOM 0 HA ASP A 10 -0.014 -25.099 6.371 1.00 11.53 H new ATOM 0 HB2 ASP A 10 -0.088 -23.298 7.944 1.00 44.52 H new ATOM 0 HB3 ASP A 10 -1.831 -23.160 7.835 1.00 44.52 H new ATOM 169 N ASP A 11 -3.205 -25.374 7.082 1.00 2.34 N ATOM 170 CA ASP A 11 -4.324 -26.308 7.128 1.00 0.51 C ATOM 171 C ASP A 11 -5.404 -25.815 8.087 1.00 65.30 C ATOM 172 O ASP A 11 -6.589 -26.085 7.894 1.00 31.20 O ATOM 173 CB ASP A 11 -3.841 -27.695 7.553 1.00 71.20 C ATOM 174 CG ASP A 11 -4.953 -28.539 8.145 1.00 2.23 C ATOM 175 OD1 ASP A 11 -5.176 -28.450 9.371 1.00 41.14 O ATOM 176 OD2 ASP A 11 -5.599 -29.289 7.384 1.00 53.53 O ATOM 0 H ASP A 11 -3.374 -24.489 7.561 1.00 2.34 H new ATOM 0 HA ASP A 11 -4.753 -26.372 6.128 1.00 0.51 H new ATOM 0 HB2 ASP A 11 -3.418 -28.210 6.690 1.00 71.20 H new ATOM 0 HB3 ASP A 11 -3.040 -27.589 8.285 1.00 71.20 H new ATOM 181 N ASP A 12 -4.985 -25.093 9.121 1.00 61.44 N ATOM 182 CA ASP A 12 -5.916 -24.563 10.110 1.00 21.31 C ATOM 183 C ASP A 12 -6.322 -23.134 9.764 1.00 65.13 C ATOM 184 O ASP A 12 -5.569 -22.403 9.120 1.00 63.41 O ATOM 185 CB ASP A 12 -5.289 -24.605 11.505 1.00 74.13 C ATOM 186 CG ASP A 12 -5.748 -25.805 12.310 1.00 61.24 C ATOM 187 OD1 ASP A 12 -5.774 -26.921 11.749 1.00 22.22 O ATOM 188 OD2 ASP A 12 -6.080 -25.629 13.500 1.00 0.23 O ATOM 0 H ASP A 12 -4.007 -24.862 9.296 1.00 61.44 H new ATOM 0 HA ASP A 12 -6.810 -25.187 10.102 1.00 21.31 H new ATOM 0 HB2 ASP A 12 -4.203 -24.628 11.412 1.00 74.13 H new ATOM 0 HB3 ASP A 12 -5.544 -23.692 12.042 1.00 74.13 H new ATOM 193 N SER A 13 -7.517 -22.743 10.194 1.00 4.33 N ATOM 194 CA SER A 13 -8.025 -21.403 9.926 1.00 43.44 C ATOM 195 C SER A 13 -7.359 -20.376 10.837 1.00 20.23 C ATOM 196 O SER A 13 -6.846 -19.358 10.374 1.00 50.15 O ATOM 197 CB SER A 13 -9.542 -21.362 10.116 1.00 52.04 C ATOM 198 OG SER A 13 -9.909 -20.400 11.090 1.00 64.23 O ATOM 0 H SER A 13 -8.152 -23.335 10.730 1.00 4.33 H new ATOM 0 HA SER A 13 -7.789 -21.152 8.892 1.00 43.44 H new ATOM 0 HB2 SER A 13 -10.024 -21.126 9.167 1.00 52.04 H new ATOM 0 HB3 SER A 13 -9.900 -22.346 10.419 1.00 52.04 H new ATOM 0 HG SER A 13 -10.884 -20.392 11.191 1.00 64.23 H new ATOM 204 N SER A 14 -7.372 -20.653 12.137 1.00 4.44 N ATOM 205 CA SER A 14 -6.773 -19.752 13.116 1.00 21.50 C ATOM 206 C SER A 14 -5.284 -19.563 12.840 1.00 15.43 C ATOM 207 O SER A 14 -4.681 -18.584 13.281 1.00 65.10 O ATOM 208 CB SER A 14 -6.976 -20.296 14.532 1.00 64.44 C ATOM 209 OG SER A 14 -6.763 -21.697 14.575 1.00 1.32 O ATOM 0 H SER A 14 -7.790 -21.493 12.537 1.00 4.44 H new ATOM 0 HA SER A 14 -7.266 -18.784 13.032 1.00 21.50 H new ATOM 0 HB2 SER A 14 -6.290 -19.799 15.218 1.00 64.44 H new ATOM 0 HB3 SER A 14 -7.986 -20.068 14.871 1.00 64.44 H new ATOM 0 HG SER A 14 -6.897 -22.020 15.490 1.00 1.32 H new ATOM 215 N ILE A 15 -4.700 -20.505 12.109 1.00 61.14 N ATOM 216 CA ILE A 15 -3.283 -20.442 11.773 1.00 41.32 C ATOM 217 C ILE A 15 -3.035 -19.485 10.611 1.00 34.23 C ATOM 218 O ILE A 15 -2.060 -18.734 10.610 1.00 54.43 O ATOM 219 CB ILE A 15 -2.729 -21.831 11.406 1.00 25.01 C ATOM 220 CG1 ILE A 15 -2.750 -22.752 12.628 1.00 14.30 C ATOM 221 CG2 ILE A 15 -1.316 -21.709 10.853 1.00 14.24 C ATOM 222 CD1 ILE A 15 -1.952 -22.222 13.798 1.00 4.22 C ATOM 0 H ILE A 15 -5.186 -21.321 11.738 1.00 61.14 H new ATOM 0 HA ILE A 15 -2.765 -20.076 12.659 1.00 41.32 H new ATOM 0 HB ILE A 15 -3.364 -22.267 10.635 1.00 25.01 H new ATOM 0 HG12 ILE A 15 -3.783 -22.902 12.942 1.00 14.30 H new ATOM 0 HG13 ILE A 15 -2.358 -23.728 12.344 1.00 14.30 H new ATOM 0 HG21 ILE A 15 -0.938 -22.699 10.598 1.00 14.24 H new ATOM 0 HG22 ILE A 15 -1.327 -21.084 9.960 1.00 14.24 H new ATOM 0 HG23 ILE A 15 -0.669 -21.256 11.604 1.00 14.24 H new ATOM 0 HD11 ILE A 15 -2.012 -22.926 14.628 1.00 4.22 H new ATOM 0 HD12 ILE A 15 -0.910 -22.098 13.502 1.00 4.22 H new ATOM 0 HD13 ILE A 15 -2.358 -21.259 14.109 1.00 4.22 H new ATOM 234 N ARG A 16 -3.926 -19.518 9.625 1.00 2.21 N ATOM 235 CA ARG A 16 -3.805 -18.653 8.457 1.00 24.35 C ATOM 236 C ARG A 16 -4.351 -17.260 8.754 1.00 52.23 C ATOM 237 O ARG A 16 -3.869 -16.265 8.212 1.00 71.23 O ATOM 238 CB ARG A 16 -4.547 -19.262 7.267 1.00 54.34 C ATOM 239 CG ARG A 16 -6.018 -19.532 7.540 1.00 51.34 C ATOM 240 CD ARG A 16 -6.770 -19.864 6.260 1.00 13.14 C ATOM 241 NE ARG A 16 -8.213 -19.932 6.476 1.00 71.11 N ATOM 242 CZ ARG A 16 -8.999 -18.863 6.536 1.00 5.54 C ATOM 243 NH1 ARG A 16 -8.483 -17.649 6.398 1.00 11.20 N ATOM 244 NH2 ARG A 16 -10.303 -19.006 6.735 1.00 4.13 N ATOM 0 H ARG A 16 -4.739 -20.134 9.612 1.00 2.21 H new ATOM 0 HA ARG A 16 -2.747 -18.564 8.209 1.00 24.35 H new ATOM 0 HB2 ARG A 16 -4.462 -18.589 6.414 1.00 54.34 H new ATOM 0 HB3 ARG A 16 -4.061 -20.196 6.986 1.00 54.34 H new ATOM 0 HG2 ARG A 16 -6.113 -20.359 8.244 1.00 51.34 H new ATOM 0 HG3 ARG A 16 -6.468 -18.658 8.012 1.00 51.34 H new ATOM 0 HD2 ARG A 16 -6.552 -19.109 5.505 1.00 13.14 H new ATOM 0 HD3 ARG A 16 -6.416 -20.818 5.869 1.00 13.14 H new ATOM 0 HE ARG A 16 -8.641 -20.851 6.587 1.00 71.11 H new ATOM 0 HH11 ARG A 16 -7.481 -17.535 6.245 1.00 11.20 H new ATOM 0 HH12 ARG A 16 -9.088 -16.829 6.444 1.00 11.20 H new ATOM 0 HH21 ARG A 16 -10.703 -19.938 6.842 1.00 4.13 H new ATOM 0 HH22 ARG A 16 -10.905 -18.184 6.781 1.00 4.13 H new ATOM 258 N TRP A 17 -5.359 -17.197 9.616 1.00 55.33 N ATOM 259 CA TRP A 17 -5.972 -15.925 9.983 1.00 31.13 C ATOM 260 C TRP A 17 -4.957 -15.005 10.652 1.00 43.23 C ATOM 261 O TRP A 17 -4.766 -13.864 10.230 1.00 62.24 O ATOM 262 CB TRP A 17 -7.160 -16.159 10.918 1.00 22.12 C ATOM 263 CG TRP A 17 -7.575 -14.931 11.670 1.00 2.21 C ATOM 264 CD1 TRP A 17 -8.375 -13.922 11.215 1.00 60.25 C ATOM 265 CD2 TRP A 17 -7.209 -14.581 13.009 1.00 22.44 C ATOM 266 NE1 TRP A 17 -8.528 -12.967 12.190 1.00 53.30 N ATOM 267 CE2 TRP A 17 -7.824 -13.348 13.301 1.00 43.00 C ATOM 268 CE3 TRP A 17 -6.423 -15.191 13.991 1.00 34.14 C ATOM 269 CZ2 TRP A 17 -7.675 -12.715 14.532 1.00 30.22 C ATOM 270 CZ3 TRP A 17 -6.277 -14.562 15.213 1.00 43.42 C ATOM 271 CH2 TRP A 17 -6.900 -13.335 15.475 1.00 14.41 C ATOM 0 H TRP A 17 -5.769 -18.011 10.074 1.00 55.33 H new ATOM 0 HA TRP A 17 -6.325 -15.444 9.071 1.00 31.13 H new ATOM 0 HB2 TRP A 17 -8.006 -16.522 10.335 1.00 22.12 H new ATOM 0 HB3 TRP A 17 -6.904 -16.943 11.630 1.00 22.12 H new ATOM 0 HD1 TRP A 17 -8.822 -13.881 10.233 1.00 60.25 H new ATOM 0 HE1 TRP A 17 -9.077 -12.112 12.101 1.00 53.30 H new ATOM 0 HE3 TRP A 17 -5.939 -16.137 13.798 1.00 34.14 H new ATOM 0 HZ2 TRP A 17 -8.154 -11.769 14.736 1.00 30.22 H new ATOM 0 HZ3 TRP A 17 -5.672 -15.024 15.979 1.00 43.42 H new ATOM 0 HH2 TRP A 17 -6.766 -12.869 16.440 1.00 14.41 H new ATOM 282 N VAL A 18 -4.307 -15.507 11.697 1.00 70.20 N ATOM 283 CA VAL A 18 -3.310 -14.730 12.423 1.00 63.01 C ATOM 284 C VAL A 18 -2.335 -14.054 11.465 1.00 73.34 C ATOM 285 O VAL A 18 -1.921 -12.915 11.684 1.00 73.14 O ATOM 286 CB VAL A 18 -2.517 -15.612 13.406 1.00 73.10 C ATOM 287 CG1 VAL A 18 -3.358 -15.934 14.632 1.00 52.20 C ATOM 288 CG2 VAL A 18 -2.051 -16.887 12.720 1.00 64.11 C ATOM 0 H VAL A 18 -4.453 -16.449 12.060 1.00 70.20 H new ATOM 0 HA VAL A 18 -3.851 -13.968 12.985 1.00 63.01 H new ATOM 0 HB VAL A 18 -1.636 -15.060 13.734 1.00 73.10 H new ATOM 0 HG11 VAL A 18 -2.781 -16.558 15.315 1.00 52.20 H new ATOM 0 HG12 VAL A 18 -3.638 -15.008 15.135 1.00 52.20 H new ATOM 0 HG13 VAL A 18 -4.258 -16.467 14.326 1.00 52.20 H new ATOM 0 HG21 VAL A 18 -1.492 -17.498 13.429 1.00 64.11 H new ATOM 0 HG22 VAL A 18 -2.916 -17.445 12.363 1.00 64.11 H new ATOM 0 HG23 VAL A 18 -1.410 -16.633 11.876 1.00 64.11 H new ATOM 298 N LEU A 19 -1.973 -14.763 10.401 1.00 23.24 N ATOM 299 CA LEU A 19 -1.046 -14.232 9.407 1.00 34.13 C ATOM 300 C LEU A 19 -1.775 -13.342 8.405 1.00 24.12 C ATOM 301 O LEU A 19 -1.197 -12.400 7.863 1.00 20.35 O ATOM 302 CB LEU A 19 -0.343 -15.376 8.674 1.00 13.22 C ATOM 303 CG LEU A 19 0.812 -16.042 9.422 1.00 63.24 C ATOM 304 CD1 LEU A 19 1.243 -17.316 8.712 1.00 70.32 C ATOM 305 CD2 LEU A 19 1.985 -15.082 9.556 1.00 41.22 C ATOM 0 H LEU A 19 -2.307 -15.706 10.204 1.00 23.24 H new ATOM 0 HA LEU A 19 -0.300 -13.629 9.926 1.00 34.13 H new ATOM 0 HB2 LEU A 19 -1.084 -16.139 8.437 1.00 13.22 H new ATOM 0 HB3 LEU A 19 0.036 -14.995 7.726 1.00 13.22 H new ATOM 0 HG LEU A 19 0.468 -16.306 10.422 1.00 63.24 H new ATOM 0 HD11 LEU A 19 2.066 -17.776 9.259 1.00 70.32 H new ATOM 0 HD12 LEU A 19 0.403 -18.010 8.668 1.00 70.32 H new ATOM 0 HD13 LEU A 19 1.569 -17.076 7.700 1.00 70.32 H new ATOM 0 HD21 LEU A 19 2.798 -15.573 10.091 1.00 41.22 H new ATOM 0 HD22 LEU A 19 2.329 -14.787 8.565 1.00 41.22 H new ATOM 0 HD23 LEU A 19 1.670 -14.197 10.109 1.00 41.22 H new ATOM 317 N GLU A 20 -3.046 -13.647 8.166 1.00 53.43 N ATOM 318 CA GLU A 20 -3.853 -12.873 7.230 1.00 52.33 C ATOM 319 C GLU A 20 -4.158 -11.487 7.791 1.00 53.21 C ATOM 320 O GLU A 20 -4.193 -10.501 7.054 1.00 5.03 O ATOM 321 CB GLU A 20 -5.159 -13.608 6.918 1.00 3.44 C ATOM 322 CG GLU A 20 -5.492 -13.655 5.437 1.00 61.43 C ATOM 323 CD GLU A 20 -6.268 -12.438 4.974 1.00 54.12 C ATOM 324 OE1 GLU A 20 -6.620 -11.598 5.828 1.00 42.41 O ATOM 325 OE2 GLU A 20 -6.524 -12.326 3.757 1.00 54.15 O ATOM 0 H GLU A 20 -3.539 -14.424 8.607 1.00 53.43 H new ATOM 0 HA GLU A 20 -3.282 -12.756 6.309 1.00 52.33 H new ATOM 0 HB2 GLU A 20 -5.093 -14.627 7.299 1.00 3.44 H new ATOM 0 HB3 GLU A 20 -5.976 -13.121 7.450 1.00 3.44 H new ATOM 0 HG2 GLU A 20 -4.568 -13.732 4.863 1.00 61.43 H new ATOM 0 HG3 GLU A 20 -6.073 -14.553 5.228 1.00 61.43 H new ATOM 332 N ARG A 21 -4.380 -11.421 9.100 1.00 43.53 N ATOM 333 CA ARG A 21 -4.684 -10.157 9.760 1.00 2.21 C ATOM 334 C ARG A 21 -3.408 -9.365 10.032 1.00 52.32 C ATOM 335 O ARG A 21 -3.443 -8.143 10.173 1.00 0.25 O ATOM 336 CB ARG A 21 -5.429 -10.409 11.072 1.00 54.12 C ATOM 337 CG ARG A 21 -4.601 -11.146 12.111 1.00 31.13 C ATOM 338 CD ARG A 21 -5.166 -10.956 13.511 1.00 45.05 C ATOM 339 NE ARG A 21 -4.445 -9.927 14.256 1.00 35.10 N ATOM 340 CZ ARG A 21 -4.926 -9.336 15.344 1.00 12.11 C ATOM 341 NH1 ARG A 21 -6.121 -9.670 15.811 1.00 32.21 N ATOM 342 NH2 ARG A 21 -4.211 -8.408 15.968 1.00 60.34 N ATOM 0 H ARG A 21 -4.355 -12.228 9.724 1.00 43.53 H new ATOM 0 HA ARG A 21 -5.320 -9.572 9.095 1.00 2.21 H new ATOM 0 HB2 ARG A 21 -5.750 -9.454 11.487 1.00 54.12 H new ATOM 0 HB3 ARG A 21 -6.331 -10.985 10.863 1.00 54.12 H new ATOM 0 HG2 ARG A 21 -4.574 -12.209 11.869 1.00 31.13 H new ATOM 0 HG3 ARG A 21 -3.573 -10.786 12.081 1.00 31.13 H new ATOM 0 HD2 ARG A 21 -6.219 -10.684 13.443 1.00 45.05 H new ATOM 0 HD3 ARG A 21 -5.115 -11.900 14.054 1.00 45.05 H new ATOM 0 HE ARG A 21 -3.522 -9.647 13.923 1.00 35.10 H new ATOM 0 HH11 ARG A 21 -6.674 -10.383 15.335 1.00 32.21 H new ATOM 0 HH12 ARG A 21 -6.488 -9.214 16.647 1.00 32.21 H new ATOM 0 HH21 ARG A 21 -3.291 -8.148 15.612 1.00 60.34 H new ATOM 0 HH22 ARG A 21 -4.581 -7.955 16.803 1.00 60.34 H new ATOM 356 N ALA A 22 -2.284 -10.070 10.103 1.00 1.25 N ATOM 357 CA ALA A 22 -0.998 -9.433 10.357 1.00 44.34 C ATOM 358 C ALA A 22 -0.766 -8.266 9.403 1.00 44.05 C ATOM 359 O ALA A 22 -0.475 -7.148 9.831 1.00 34.22 O ATOM 360 CB ALA A 22 0.128 -10.449 10.234 1.00 71.11 C ATOM 0 H ALA A 22 -2.238 -11.082 9.988 1.00 1.25 H new ATOM 0 HA ALA A 22 -1.009 -9.041 11.374 1.00 44.34 H new ATOM 0 HB1 ALA A 22 1.083 -9.959 10.426 1.00 71.11 H new ATOM 0 HB2 ALA A 22 -0.022 -11.248 10.960 1.00 71.11 H new ATOM 0 HB3 ALA A 22 0.131 -10.868 9.228 1.00 71.11 H new ATOM 366 N LEU A 23 -0.894 -8.532 8.107 1.00 34.35 N ATOM 367 CA LEU A 23 -0.698 -7.504 7.092 1.00 51.14 C ATOM 368 C LEU A 23 -1.942 -6.632 6.952 1.00 60.34 C ATOM 369 O LEU A 23 -1.853 -5.460 6.589 1.00 43.20 O ATOM 370 CB LEU A 23 -0.358 -8.147 5.746 1.00 43.20 C ATOM 371 CG LEU A 23 0.574 -9.358 5.797 1.00 21.14 C ATOM 372 CD1 LEU A 23 0.603 -10.067 4.452 1.00 34.13 C ATOM 373 CD2 LEU A 23 1.977 -8.935 6.209 1.00 13.21 C ATOM 0 H LEU A 23 -1.133 -9.451 7.735 1.00 34.35 H new ATOM 0 HA LEU A 23 0.133 -6.872 7.406 1.00 51.14 H new ATOM 0 HB2 LEU A 23 -1.288 -8.450 5.265 1.00 43.20 H new ATOM 0 HB3 LEU A 23 0.098 -7.389 5.109 1.00 43.20 H new ATOM 0 HG LEU A 23 0.192 -10.054 6.543 1.00 21.14 H new ATOM 0 HD11 LEU A 23 1.272 -10.926 4.508 1.00 34.13 H new ATOM 0 HD12 LEU A 23 -0.401 -10.405 4.197 1.00 34.13 H new ATOM 0 HD13 LEU A 23 0.960 -9.379 3.686 1.00 34.13 H new ATOM 0 HD21 LEU A 23 2.626 -9.810 6.240 1.00 13.21 H new ATOM 0 HD22 LEU A 23 2.368 -8.218 5.487 1.00 13.21 H new ATOM 0 HD23 LEU A 23 1.943 -8.473 7.196 1.00 13.21 H new ATOM 385 N ALA A 24 -3.101 -7.213 7.244 1.00 71.24 N ATOM 386 CA ALA A 24 -4.363 -6.488 7.154 1.00 24.44 C ATOM 387 C ALA A 24 -4.285 -5.158 7.896 1.00 32.31 C ATOM 388 O ALA A 24 -4.835 -4.153 7.448 1.00 73.44 O ATOM 389 CB ALA A 24 -5.499 -7.337 7.706 1.00 41.14 C ATOM 0 H ALA A 24 -3.192 -8.183 7.545 1.00 71.24 H new ATOM 0 HA ALA A 24 -4.559 -6.277 6.103 1.00 24.44 H new ATOM 0 HB1 ALA A 24 -6.435 -6.784 7.633 1.00 41.14 H new ATOM 0 HB2 ALA A 24 -5.577 -8.260 7.131 1.00 41.14 H new ATOM 0 HB3 ALA A 24 -5.300 -7.577 8.751 1.00 41.14 H new ATOM 395 N GLY A 25 -3.599 -5.160 9.035 1.00 43.22 N ATOM 396 CA GLY A 25 -3.463 -3.947 9.821 1.00 60.42 C ATOM 397 C GLY A 25 -2.291 -3.096 9.375 1.00 2.23 C ATOM 398 O GLY A 25 -2.224 -1.908 9.689 1.00 44.21 O ATOM 0 H GLY A 25 -3.135 -5.979 9.427 1.00 43.22 H new ATOM 0 HA2 GLY A 25 -4.381 -3.364 9.746 1.00 60.42 H new ATOM 0 HA3 GLY A 25 -3.338 -4.210 10.871 1.00 60.42 H new ATOM 402 N ALA A 26 -1.364 -3.705 8.643 1.00 3.51 N ATOM 403 CA ALA A 26 -0.189 -2.994 8.154 1.00 62.13 C ATOM 404 C ALA A 26 -0.469 -2.329 6.810 1.00 33.33 C ATOM 405 O ALA A 26 -0.672 -1.118 6.736 1.00 34.23 O ATOM 406 CB ALA A 26 0.993 -3.946 8.037 1.00 11.54 C ATOM 0 H ALA A 26 -1.404 -4.689 8.376 1.00 3.51 H new ATOM 0 HA ALA A 26 0.057 -2.212 8.873 1.00 62.13 H new ATOM 0 HB1 ALA A 26 1.864 -3.402 7.671 1.00 11.54 H new ATOM 0 HB2 ALA A 26 1.216 -4.371 9.016 1.00 11.54 H new ATOM 0 HB3 ALA A 26 0.747 -4.748 7.341 1.00 11.54 H new ATOM 412 N GLY A 27 -0.478 -3.130 5.749 1.00 71.31 N ATOM 413 CA GLY A 27 -0.734 -2.601 4.422 1.00 2.11 C ATOM 414 C GLY A 27 -0.218 -3.511 3.325 1.00 32.44 C ATOM 415 O GLY A 27 0.300 -3.042 2.311 1.00 25.44 O ATOM 0 H GLY A 27 -0.313 -4.136 5.785 1.00 71.31 H new ATOM 0 HA2 GLY A 27 -1.806 -2.454 4.294 1.00 2.11 H new ATOM 0 HA3 GLY A 27 -0.265 -1.622 4.328 1.00 2.11 H new ATOM 419 N LEU A 28 -0.359 -4.817 3.528 1.00 43.23 N ATOM 420 CA LEU A 28 0.099 -5.796 2.548 1.00 35.41 C ATOM 421 C LEU A 28 -0.963 -6.866 2.311 1.00 1.04 C ATOM 422 O LEU A 28 -1.604 -7.339 3.250 1.00 31.24 O ATOM 423 CB LEU A 28 1.400 -6.448 3.019 1.00 72.42 C ATOM 424 CG LEU A 28 2.203 -5.668 4.060 1.00 62.12 C ATOM 425 CD1 LEU A 28 3.335 -6.522 4.610 1.00 11.14 C ATOM 426 CD2 LEU A 28 2.748 -4.381 3.458 1.00 40.01 C ATOM 0 H LEU A 28 -0.786 -5.222 4.361 1.00 43.23 H new ATOM 0 HA LEU A 28 0.281 -5.275 1.608 1.00 35.41 H new ATOM 0 HB2 LEU A 28 1.163 -7.428 3.432 1.00 72.42 H new ATOM 0 HB3 LEU A 28 2.035 -6.614 2.149 1.00 72.42 H new ATOM 0 HG LEU A 28 1.538 -5.408 4.884 1.00 62.12 H new ATOM 0 HD11 LEU A 28 3.896 -5.950 5.350 1.00 11.14 H new ATOM 0 HD12 LEU A 28 2.922 -7.415 5.079 1.00 11.14 H new ATOM 0 HD13 LEU A 28 3.999 -6.813 3.796 1.00 11.14 H new ATOM 0 HD21 LEU A 28 3.317 -3.839 4.213 1.00 40.01 H new ATOM 0 HD22 LEU A 28 3.398 -4.620 2.616 1.00 40.01 H new ATOM 0 HD23 LEU A 28 1.920 -3.762 3.113 1.00 40.01 H new ATOM 438 N THR A 29 -1.143 -7.245 1.050 1.00 64.21 N ATOM 439 CA THR A 29 -2.125 -8.260 0.689 1.00 0.43 C ATOM 440 C THR A 29 -1.713 -9.633 1.208 1.00 51.33 C ATOM 441 O THR A 29 -0.529 -9.898 1.416 1.00 64.44 O ATOM 442 CB THR A 29 -2.319 -8.337 -0.837 1.00 2.51 C ATOM 443 OG1 THR A 29 -2.429 -7.018 -1.384 1.00 12.22 O ATOM 444 CG2 THR A 29 -3.562 -9.141 -1.185 1.00 12.04 C ATOM 0 H THR A 29 -0.621 -6.864 0.261 1.00 64.21 H new ATOM 0 HA THR A 29 -3.067 -7.967 1.153 1.00 0.43 H new ATOM 0 HB THR A 29 -1.451 -8.837 -1.266 1.00 2.51 H new ATOM 0 HG1 THR A 29 -2.550 -7.076 -2.355 1.00 12.22 H new ATOM 0 HG21 THR A 29 -3.678 -9.181 -2.268 1.00 12.04 H new ATOM 0 HG22 THR A 29 -3.462 -10.153 -0.793 1.00 12.04 H new ATOM 0 HG23 THR A 29 -4.438 -8.666 -0.744 1.00 12.04 H new ATOM 452 N CYS A 30 -2.697 -10.501 1.414 1.00 63.32 N ATOM 453 CA CYS A 30 -2.436 -11.849 1.908 1.00 2.54 C ATOM 454 C CYS A 30 -3.379 -12.858 1.261 1.00 45.52 C ATOM 455 O CYS A 30 -4.579 -12.612 1.135 1.00 3.55 O ATOM 456 CB CYS A 30 -2.587 -11.894 3.430 1.00 54.05 C ATOM 457 SG CYS A 30 -1.441 -13.025 4.252 1.00 10.42 S ATOM 0 H CYS A 30 -3.682 -10.296 1.247 1.00 63.32 H new ATOM 0 HA CYS A 30 -1.413 -12.115 1.643 1.00 2.54 H new ATOM 0 HB2 CYS A 30 -2.439 -10.890 3.829 1.00 54.05 H new ATOM 0 HB3 CYS A 30 -3.608 -12.187 3.675 1.00 54.05 H new ATOM 0 HG CYS A 30 -0.498 -13.365 3.424 1.00 10.42 H new ATOM 463 N THR A 31 -2.827 -13.995 0.849 1.00 52.15 N ATOM 464 CA THR A 31 -3.618 -15.040 0.211 1.00 65.30 C ATOM 465 C THR A 31 -3.429 -16.379 0.916 1.00 55.23 C ATOM 466 O THR A 31 -2.340 -16.953 0.901 1.00 31.00 O ATOM 467 CB THR A 31 -3.245 -15.199 -1.275 1.00 50.22 C ATOM 468 OG1 THR A 31 -3.521 -13.984 -1.982 1.00 33.33 O ATOM 469 CG2 THR A 31 -4.018 -16.346 -1.908 1.00 30.35 C ATOM 0 H THR A 31 -1.836 -14.215 0.946 1.00 52.15 H new ATOM 0 HA THR A 31 -4.662 -14.736 0.285 1.00 65.30 H new ATOM 0 HB THR A 31 -2.180 -15.422 -1.337 1.00 50.22 H new ATOM 0 HG1 THR A 31 -3.280 -14.093 -2.926 1.00 33.33 H new ATOM 0 HG21 THR A 31 -3.738 -16.438 -2.957 1.00 30.35 H new ATOM 0 HG22 THR A 31 -3.784 -17.274 -1.387 1.00 30.35 H new ATOM 0 HG23 THR A 31 -5.087 -16.148 -1.834 1.00 30.35 H new ATOM 477 N THR A 32 -4.498 -16.873 1.533 1.00 54.01 N ATOM 478 CA THR A 32 -4.451 -18.144 2.244 1.00 62.31 C ATOM 479 C THR A 32 -5.097 -19.256 1.426 1.00 71.33 C ATOM 480 O THR A 32 -6.231 -19.123 0.965 1.00 42.14 O ATOM 481 CB THR A 32 -5.157 -18.051 3.610 1.00 42.22 C ATOM 482 OG1 THR A 32 -6.577 -18.039 3.427 1.00 30.34 O ATOM 483 CG2 THR A 32 -4.726 -16.797 4.357 1.00 72.52 C ATOM 0 H THR A 32 -5.407 -16.411 1.554 1.00 54.01 H new ATOM 0 HA THR A 32 -3.398 -18.378 2.403 1.00 62.31 H new ATOM 0 HB THR A 32 -4.875 -18.922 4.201 1.00 42.22 H new ATOM 0 HG1 THR A 32 -6.793 -18.359 2.526 1.00 30.34 H new ATOM 0 HG21 THR A 32 -5.237 -16.753 5.319 1.00 72.52 H new ATOM 0 HG22 THR A 32 -3.649 -16.823 4.520 1.00 72.52 H new ATOM 0 HG23 THR A 32 -4.983 -15.916 3.768 1.00 72.52 H new ATOM 491 N PHE A 33 -4.369 -20.354 1.249 1.00 33.23 N ATOM 492 CA PHE A 33 -4.872 -21.490 0.486 1.00 72.31 C ATOM 493 C PHE A 33 -5.356 -22.599 1.416 1.00 62.22 C ATOM 494 O PHE A 33 -6.515 -22.615 1.828 1.00 20.51 O ATOM 495 CB PHE A 33 -3.784 -22.028 -0.445 1.00 64.30 C ATOM 496 CG PHE A 33 -3.355 -21.046 -1.497 1.00 3.42 C ATOM 497 CD1 PHE A 33 -2.418 -20.067 -1.208 1.00 43.33 C ATOM 498 CD2 PHE A 33 -3.889 -21.100 -2.774 1.00 72.50 C ATOM 499 CE1 PHE A 33 -2.021 -19.161 -2.174 1.00 25.00 C ATOM 500 CE2 PHE A 33 -3.496 -20.198 -3.744 1.00 4.12 C ATOM 501 CZ PHE A 33 -2.561 -19.226 -3.443 1.00 71.22 C ATOM 0 H PHE A 33 -3.429 -20.481 1.624 1.00 33.23 H new ATOM 0 HA PHE A 33 -5.716 -21.148 -0.113 1.00 72.31 H new ATOM 0 HB2 PHE A 33 -2.916 -22.313 0.150 1.00 64.30 H new ATOM 0 HB3 PHE A 33 -4.148 -22.933 -0.931 1.00 64.30 H new ATOM 0 HD1 PHE A 33 -1.993 -20.011 -0.217 1.00 43.33 H new ATOM 0 HD2 PHE A 33 -4.621 -21.856 -3.014 1.00 72.50 H new ATOM 0 HE1 PHE A 33 -1.289 -18.403 -1.936 1.00 25.00 H new ATOM 0 HE2 PHE A 33 -3.919 -20.253 -4.736 1.00 4.12 H new ATOM 0 HZ PHE A 33 -2.253 -18.519 -4.199 1.00 71.22 H new ATOM 511 N GLU A 34 -4.458 -23.524 1.741 1.00 71.44 N ATOM 512 CA GLU A 34 -4.794 -24.638 2.620 1.00 3.24 C ATOM 513 C GLU A 34 -3.629 -25.618 2.726 1.00 2.11 C ATOM 514 O GLU A 34 -3.246 -26.027 3.821 1.00 2.02 O ATOM 515 CB GLU A 34 -6.040 -25.363 2.109 1.00 71.21 C ATOM 516 CG GLU A 34 -6.039 -25.590 0.607 1.00 65.45 C ATOM 517 CD GLU A 34 -7.331 -26.208 0.109 1.00 42.04 C ATOM 518 OE1 GLU A 34 -7.612 -27.369 0.471 1.00 72.34 O ATOM 519 OE2 GLU A 34 -8.061 -25.529 -0.643 1.00 40.24 O ATOM 0 H GLU A 34 -3.493 -23.524 1.409 1.00 71.44 H new ATOM 0 HA GLU A 34 -4.999 -24.235 3.612 1.00 3.24 H new ATOM 0 HB2 GLU A 34 -6.122 -26.326 2.613 1.00 71.21 H new ATOM 0 HB3 GLU A 34 -6.923 -24.785 2.380 1.00 71.21 H new ATOM 0 HG2 GLU A 34 -5.877 -24.639 0.100 1.00 65.45 H new ATOM 0 HG3 GLU A 34 -5.204 -26.239 0.342 1.00 65.45 H new ATOM 526 N ASN A 35 -3.071 -25.990 1.579 1.00 64.41 N ATOM 527 CA ASN A 35 -1.950 -26.923 1.542 1.00 73.45 C ATOM 528 C ASN A 35 -0.801 -26.361 0.710 1.00 13.33 C ATOM 529 O ASN A 35 -0.970 -25.388 -0.024 1.00 35.03 O ATOM 530 CB ASN A 35 -2.399 -28.269 0.967 1.00 1.32 C ATOM 531 CG ASN A 35 -2.092 -29.426 1.898 1.00 12.12 C ATOM 532 OD1 ASN A 35 -1.064 -30.089 1.764 1.00 23.03 O ATOM 533 ND2 ASN A 35 -2.986 -29.674 2.848 1.00 14.32 N ATOM 0 H ASN A 35 -3.376 -25.660 0.663 1.00 64.41 H new ATOM 0 HA ASN A 35 -1.598 -27.070 2.563 1.00 73.45 H new ATOM 0 HB2 ASN A 35 -3.471 -28.238 0.771 1.00 1.32 H new ATOM 0 HB3 ASN A 35 -1.905 -28.435 0.010 1.00 1.32 H new ATOM 0 HD21 ASN A 35 -2.834 -30.440 3.504 1.00 14.32 H new ATOM 0 HD22 ASN A 35 -3.825 -29.098 2.922 1.00 14.32 H new ATOM 540 N GLY A 36 0.369 -26.981 0.831 1.00 13.33 N ATOM 541 CA GLY A 36 1.529 -26.528 0.085 1.00 34.45 C ATOM 542 C GLY A 36 1.380 -26.749 -1.407 1.00 24.21 C ATOM 543 O GLY A 36 1.768 -25.900 -2.208 1.00 50.10 O ATOM 0 H GLY A 36 0.534 -27.788 1.432 1.00 13.33 H new ATOM 0 HA2 GLY A 36 1.690 -25.467 0.278 1.00 34.45 H new ATOM 0 HA3 GLY A 36 2.415 -27.055 0.441 1.00 34.45 H new ATOM 547 N ASN A 37 0.819 -27.894 -1.781 1.00 61.33 N ATOM 548 CA ASN A 37 0.623 -28.225 -3.188 1.00 70.30 C ATOM 549 C ASN A 37 -0.242 -27.175 -3.878 1.00 61.05 C ATOM 550 O ASN A 37 -0.228 -27.053 -5.103 1.00 23.12 O ATOM 551 CB ASN A 37 -0.025 -29.605 -3.323 1.00 41.33 C ATOM 552 CG ASN A 37 0.971 -30.674 -3.728 1.00 63.13 C ATOM 553 OD1 ASN A 37 1.984 -30.385 -4.366 1.00 72.22 O ATOM 554 ND2 ASN A 37 0.687 -31.917 -3.359 1.00 23.54 N ATOM 0 H ASN A 37 0.492 -28.608 -1.130 1.00 61.33 H new ATOM 0 HA ASN A 37 1.600 -28.241 -3.672 1.00 70.30 H new ATOM 0 HB2 ASN A 37 -0.485 -29.882 -2.374 1.00 41.33 H new ATOM 0 HB3 ASN A 37 -0.824 -29.557 -4.063 1.00 41.33 H new ATOM 0 HD21 ASN A 37 1.320 -32.679 -3.603 1.00 23.54 H new ATOM 0 HD22 ASN A 37 -0.164 -32.110 -2.831 1.00 23.54 H new ATOM 561 N GLU A 38 -0.993 -26.419 -3.084 1.00 20.13 N ATOM 562 CA GLU A 38 -1.864 -25.379 -3.619 1.00 70.51 C ATOM 563 C GLU A 38 -1.131 -24.043 -3.698 1.00 74.20 C ATOM 564 O GLU A 38 -1.584 -23.113 -4.366 1.00 2.15 O ATOM 565 CB GLU A 38 -3.117 -25.236 -2.752 1.00 62.32 C ATOM 566 CG GLU A 38 -3.480 -26.502 -1.993 1.00 45.41 C ATOM 567 CD GLU A 38 -3.639 -27.703 -2.904 1.00 72.13 C ATOM 568 OE1 GLU A 38 -4.065 -27.515 -4.063 1.00 74.42 O ATOM 569 OE2 GLU A 38 -3.339 -28.830 -2.459 1.00 64.21 O ATOM 0 H GLU A 38 -1.016 -26.507 -2.068 1.00 20.13 H new ATOM 0 HA GLU A 38 -2.160 -25.671 -4.627 1.00 70.51 H new ATOM 0 HB2 GLU A 38 -2.965 -24.426 -2.039 1.00 62.32 H new ATOM 0 HB3 GLU A 38 -3.956 -24.949 -3.386 1.00 62.32 H new ATOM 0 HG2 GLU A 38 -2.707 -26.712 -1.253 1.00 45.41 H new ATOM 0 HG3 GLU A 38 -4.409 -26.340 -1.447 1.00 45.41 H new ATOM 576 N VAL A 39 0.003 -23.955 -3.011 1.00 21.41 N ATOM 577 CA VAL A 39 0.800 -22.734 -3.003 1.00 35.22 C ATOM 578 C VAL A 39 1.804 -22.726 -4.150 1.00 0.44 C ATOM 579 O VAL A 39 1.924 -21.739 -4.877 1.00 3.31 O ATOM 580 CB VAL A 39 1.556 -22.566 -1.671 1.00 55.15 C ATOM 581 CG1 VAL A 39 2.397 -21.299 -1.691 1.00 51.14 C ATOM 582 CG2 VAL A 39 0.580 -22.550 -0.504 1.00 25.01 C ATOM 0 H VAL A 39 0.391 -24.715 -2.452 1.00 21.41 H new ATOM 0 HA VAL A 39 0.107 -21.902 -3.126 1.00 35.22 H new ATOM 0 HB VAL A 39 2.226 -23.416 -1.543 1.00 55.15 H new ATOM 0 HG11 VAL A 39 2.924 -21.197 -0.742 1.00 51.14 H new ATOM 0 HG12 VAL A 39 3.121 -21.356 -2.504 1.00 51.14 H new ATOM 0 HG13 VAL A 39 1.750 -20.435 -1.841 1.00 51.14 H new ATOM 0 HG21 VAL A 39 1.131 -22.431 0.429 1.00 25.01 H new ATOM 0 HG22 VAL A 39 -0.116 -21.720 -0.623 1.00 25.01 H new ATOM 0 HG23 VAL A 39 0.025 -23.488 -0.481 1.00 25.01 H new ATOM 592 N LEU A 40 2.524 -23.831 -4.307 1.00 35.23 N ATOM 593 CA LEU A 40 3.519 -23.952 -5.366 1.00 73.35 C ATOM 594 C LEU A 40 2.922 -23.578 -6.719 1.00 51.43 C ATOM 595 O LEU A 40 3.530 -22.840 -7.494 1.00 51.11 O ATOM 596 CB LEU A 40 4.068 -25.379 -5.416 1.00 44.12 C ATOM 597 CG LEU A 40 4.598 -25.847 -6.772 1.00 72.31 C ATOM 598 CD1 LEU A 40 5.729 -24.946 -7.244 1.00 33.52 C ATOM 599 CD2 LEU A 40 5.064 -27.294 -6.692 1.00 53.30 C ATOM 0 H LEU A 40 2.437 -24.656 -3.714 1.00 35.23 H new ATOM 0 HA LEU A 40 4.334 -23.263 -5.146 1.00 73.35 H new ATOM 0 HB2 LEU A 40 4.872 -25.463 -4.685 1.00 44.12 H new ATOM 0 HB3 LEU A 40 3.279 -26.062 -5.102 1.00 44.12 H new ATOM 0 HG LEU A 40 3.787 -25.787 -7.498 1.00 72.31 H new ATOM 0 HD11 LEU A 40 6.093 -25.295 -8.210 1.00 33.52 H new ATOM 0 HD12 LEU A 40 5.363 -23.924 -7.342 1.00 33.52 H new ATOM 0 HD13 LEU A 40 6.542 -24.973 -6.519 1.00 33.52 H new ATOM 0 HD21 LEU A 40 5.438 -27.610 -7.666 1.00 53.30 H new ATOM 0 HD22 LEU A 40 5.860 -27.380 -5.952 1.00 53.30 H new ATOM 0 HD23 LEU A 40 4.228 -27.930 -6.400 1.00 53.30 H new ATOM 611 N ALA A 41 1.727 -24.090 -6.995 1.00 51.43 N ATOM 612 CA ALA A 41 1.046 -23.805 -8.252 1.00 71.43 C ATOM 613 C ALA A 41 0.640 -22.338 -8.337 1.00 45.24 C ATOM 614 O ALA A 41 0.599 -21.757 -9.422 1.00 23.53 O ATOM 615 CB ALA A 41 -0.174 -24.702 -8.406 1.00 0.30 C ATOM 0 H ALA A 41 1.211 -24.704 -6.365 1.00 51.43 H new ATOM 0 HA ALA A 41 1.740 -24.010 -9.067 1.00 71.43 H new ATOM 0 HB1 ALA A 41 -0.673 -24.479 -9.349 1.00 0.30 H new ATOM 0 HB2 ALA A 41 0.139 -25.746 -8.400 1.00 0.30 H new ATOM 0 HB3 ALA A 41 -0.863 -24.525 -7.580 1.00 0.30 H new ATOM 621 N ALA A 42 0.341 -21.744 -7.187 1.00 2.31 N ATOM 622 CA ALA A 42 -0.060 -20.343 -7.132 1.00 22.42 C ATOM 623 C ALA A 42 1.046 -19.435 -7.657 1.00 43.42 C ATOM 624 O ALA A 42 0.776 -18.407 -8.281 1.00 22.24 O ATOM 625 CB ALA A 42 -0.432 -19.957 -5.708 1.00 42.52 C ATOM 0 H ALA A 42 0.369 -22.211 -6.280 1.00 2.31 H new ATOM 0 HA ALA A 42 -0.933 -20.214 -7.772 1.00 22.42 H new ATOM 0 HB1 ALA A 42 -0.729 -18.909 -5.681 1.00 42.52 H new ATOM 0 HB2 ALA A 42 -1.260 -20.578 -5.367 1.00 42.52 H new ATOM 0 HB3 ALA A 42 0.427 -20.107 -5.054 1.00 42.52 H new ATOM 631 N LEU A 43 2.292 -19.818 -7.401 1.00 61.33 N ATOM 632 CA LEU A 43 3.440 -19.037 -7.848 1.00 63.11 C ATOM 633 C LEU A 43 3.379 -18.790 -9.352 1.00 14.30 C ATOM 634 O LEU A 43 3.605 -17.673 -9.817 1.00 74.00 O ATOM 635 CB LEU A 43 4.742 -19.757 -7.491 1.00 71.12 C ATOM 636 CG LEU A 43 4.833 -20.314 -6.070 1.00 1.20 C ATOM 637 CD1 LEU A 43 6.143 -21.060 -5.872 1.00 5.31 C ATOM 638 CD2 LEU A 43 4.695 -19.194 -5.049 1.00 30.13 C ATOM 0 H LEU A 43 2.533 -20.665 -6.886 1.00 61.33 H new ATOM 0 HA LEU A 43 3.413 -18.074 -7.339 1.00 63.11 H new ATOM 0 HB2 LEU A 43 4.883 -20.580 -8.192 1.00 71.12 H new ATOM 0 HB3 LEU A 43 5.570 -19.064 -7.642 1.00 71.12 H new ATOM 0 HG LEU A 43 4.013 -21.017 -5.922 1.00 1.20 H new ATOM 0 HD11 LEU A 43 6.190 -21.449 -4.855 1.00 5.31 H new ATOM 0 HD12 LEU A 43 6.202 -21.887 -6.580 1.00 5.31 H new ATOM 0 HD13 LEU A 43 6.978 -20.380 -6.039 1.00 5.31 H new ATOM 0 HD21 LEU A 43 4.762 -19.608 -4.043 1.00 30.13 H new ATOM 0 HD22 LEU A 43 5.494 -18.467 -5.196 1.00 30.13 H new ATOM 0 HD23 LEU A 43 3.730 -18.703 -5.176 1.00 30.13 H new ATOM 650 N ALA A 44 3.069 -19.839 -10.107 1.00 10.22 N ATOM 651 CA ALA A 44 2.973 -19.734 -11.558 1.00 21.45 C ATOM 652 C ALA A 44 2.024 -18.613 -11.966 1.00 3.54 C ATOM 653 O ALA A 44 2.117 -18.079 -13.071 1.00 64.43 O ATOM 654 CB ALA A 44 2.516 -21.058 -12.153 1.00 14.22 C ATOM 0 H ALA A 44 2.880 -20.771 -9.738 1.00 10.22 H new ATOM 0 HA ALA A 44 3.963 -19.495 -11.947 1.00 21.45 H new ATOM 0 HB1 ALA A 44 2.448 -20.966 -13.237 1.00 14.22 H new ATOM 0 HB2 ALA A 44 3.234 -21.838 -11.899 1.00 14.22 H new ATOM 0 HB3 ALA A 44 1.538 -21.320 -11.750 1.00 14.22 H new ATOM 660 N SER A 45 1.111 -18.259 -11.066 1.00 64.34 N ATOM 661 CA SER A 45 0.142 -17.203 -11.335 1.00 63.42 C ATOM 662 C SER A 45 0.735 -15.831 -11.029 1.00 32.32 C ATOM 663 O SER A 45 0.435 -14.847 -11.705 1.00 13.03 O ATOM 664 CB SER A 45 -1.124 -17.421 -10.505 1.00 74.43 C ATOM 665 OG SER A 45 -1.541 -18.775 -10.556 1.00 4.00 O ATOM 0 H SER A 45 1.022 -18.688 -10.145 1.00 64.34 H new ATOM 0 HA SER A 45 -0.115 -17.240 -12.394 1.00 63.42 H new ATOM 0 HB2 SER A 45 -0.938 -17.133 -9.470 1.00 74.43 H new ATOM 0 HB3 SER A 45 -1.921 -16.777 -10.877 1.00 74.43 H new ATOM 0 HG SER A 45 -2.351 -18.888 -10.016 1.00 4.00 H new ATOM 671 N LYS A 46 1.579 -15.774 -10.004 1.00 53.21 N ATOM 672 CA LYS A 46 2.216 -14.524 -9.606 1.00 61.23 C ATOM 673 C LYS A 46 3.136 -14.740 -8.409 1.00 11.32 C ATOM 674 O LYS A 46 2.713 -14.623 -7.258 1.00 74.31 O ATOM 675 CB LYS A 46 1.157 -13.473 -9.267 1.00 31.12 C ATOM 676 CG LYS A 46 0.073 -13.981 -8.332 1.00 24.54 C ATOM 677 CD LYS A 46 -0.505 -12.859 -7.486 1.00 25.45 C ATOM 678 CE LYS A 46 0.536 -12.285 -6.536 1.00 14.11 C ATOM 679 NZ LYS A 46 1.062 -10.977 -7.015 1.00 62.25 N ATOM 0 H LYS A 46 1.838 -16.579 -9.434 1.00 53.21 H new ATOM 0 HA LYS A 46 2.816 -14.168 -10.443 1.00 61.23 H new ATOM 0 HB2 LYS A 46 1.645 -12.612 -8.810 1.00 31.12 H new ATOM 0 HB3 LYS A 46 0.695 -13.124 -10.190 1.00 31.12 H new ATOM 0 HG2 LYS A 46 -0.723 -14.446 -8.914 1.00 24.54 H new ATOM 0 HG3 LYS A 46 0.485 -14.753 -7.682 1.00 24.54 H new ATOM 0 HD2 LYS A 46 -0.882 -12.069 -8.136 1.00 25.45 H new ATOM 0 HD3 LYS A 46 -1.354 -13.233 -6.914 1.00 25.45 H new ATOM 0 HE2 LYS A 46 0.095 -12.159 -5.547 1.00 14.11 H new ATOM 0 HE3 LYS A 46 1.360 -12.991 -6.430 1.00 14.11 H new ATOM 0 HZ1 LYS A 46 2.044 -10.859 -6.693 1.00 62.25 H new ATOM 0 HZ2 LYS A 46 1.033 -10.951 -8.054 1.00 62.25 H new ATOM 0 HZ3 LYS A 46 0.477 -10.207 -6.633 1.00 62.25 H new ATOM 693 N THR A 47 4.398 -15.053 -8.686 1.00 72.32 N ATOM 694 CA THR A 47 5.377 -15.284 -7.632 1.00 63.51 C ATOM 695 C THR A 47 5.294 -14.206 -6.558 1.00 44.33 C ATOM 696 O THR A 47 5.506 -13.021 -6.817 1.00 54.31 O ATOM 697 CB THR A 47 6.810 -15.323 -8.196 1.00 4.04 C ATOM 698 OG1 THR A 47 6.779 -15.630 -9.594 1.00 11.21 O ATOM 699 CG2 THR A 47 7.652 -16.357 -7.463 1.00 43.21 C ATOM 0 H THR A 47 4.766 -15.152 -9.632 1.00 72.32 H new ATOM 0 HA THR A 47 5.142 -16.252 -7.189 1.00 63.51 H new ATOM 0 HB THR A 47 7.260 -14.341 -8.051 1.00 4.04 H new ATOM 0 HG1 THR A 47 6.247 -16.440 -9.739 1.00 11.21 H new ATOM 0 HG21 THR A 47 8.660 -16.366 -7.879 1.00 43.21 H new ATOM 0 HG22 THR A 47 7.699 -16.104 -6.404 1.00 43.21 H new ATOM 0 HG23 THR A 47 7.202 -17.343 -7.581 1.00 43.21 H new ATOM 707 N PRO A 48 4.980 -14.623 -5.323 1.00 4.53 N ATOM 708 CA PRO A 48 4.864 -13.707 -4.184 1.00 53.41 C ATOM 709 C PRO A 48 6.213 -13.139 -3.756 1.00 31.52 C ATOM 710 O PRO A 48 7.235 -13.397 -4.392 1.00 2.33 O ATOM 711 CB PRO A 48 4.279 -14.588 -3.078 1.00 31.41 C ATOM 712 CG PRO A 48 4.693 -15.973 -3.439 1.00 74.31 C ATOM 713 CD PRO A 48 4.715 -16.020 -4.942 1.00 24.11 C ATOM 0 HA PRO A 48 4.253 -12.837 -4.422 1.00 53.41 H new ATOM 0 HB2 PRO A 48 4.664 -14.302 -2.099 1.00 31.41 H new ATOM 0 HB3 PRO A 48 3.194 -14.498 -3.033 1.00 31.41 H new ATOM 0 HG2 PRO A 48 5.675 -16.207 -3.027 1.00 74.31 H new ATOM 0 HG3 PRO A 48 3.995 -16.707 -3.036 1.00 74.31 H new ATOM 0 HD2 PRO A 48 5.490 -16.691 -5.312 1.00 24.11 H new ATOM 0 HD3 PRO A 48 3.767 -16.374 -5.347 1.00 24.11 H new ATOM 721 N ASP A 49 6.208 -12.368 -2.675 1.00 5.43 N ATOM 722 CA ASP A 49 7.433 -11.765 -2.160 1.00 71.14 C ATOM 723 C ASP A 49 7.978 -12.565 -0.981 1.00 43.32 C ATOM 724 O ASP A 49 9.151 -12.445 -0.626 1.00 31.22 O ATOM 725 CB ASP A 49 7.176 -10.318 -1.736 1.00 74.32 C ATOM 726 CG ASP A 49 8.247 -9.369 -2.236 1.00 72.21 C ATOM 727 OD1 ASP A 49 9.403 -9.488 -1.781 1.00 4.32 O ATOM 728 OD2 ASP A 49 7.928 -8.507 -3.082 1.00 64.11 O ATOM 0 H ASP A 49 5.370 -12.145 -2.138 1.00 5.43 H new ATOM 0 HA ASP A 49 8.176 -11.775 -2.957 1.00 71.14 H new ATOM 0 HB2 ASP A 49 6.206 -9.998 -2.116 1.00 74.32 H new ATOM 0 HB3 ASP A 49 7.126 -10.265 -0.648 1.00 74.32 H new ATOM 733 N VAL A 50 7.119 -13.380 -0.377 1.00 41.43 N ATOM 734 CA VAL A 50 7.514 -14.199 0.762 1.00 63.10 C ATOM 735 C VAL A 50 6.365 -15.086 1.226 1.00 15.13 C ATOM 736 O VAL A 50 5.219 -14.642 1.312 1.00 11.35 O ATOM 737 CB VAL A 50 7.986 -13.329 1.942 1.00 22.22 C ATOM 738 CG1 VAL A 50 6.886 -12.372 2.374 1.00 75.20 C ATOM 739 CG2 VAL A 50 8.429 -14.204 3.105 1.00 64.42 C ATOM 0 H VAL A 50 6.145 -13.490 -0.658 1.00 41.43 H new ATOM 0 HA VAL A 50 8.341 -14.826 0.429 1.00 63.10 H new ATOM 0 HB VAL A 50 8.841 -12.738 1.615 1.00 22.22 H new ATOM 0 HG11 VAL A 50 7.238 -11.766 3.209 1.00 75.20 H new ATOM 0 HG12 VAL A 50 6.621 -11.722 1.540 1.00 75.20 H new ATOM 0 HG13 VAL A 50 6.009 -12.941 2.683 1.00 75.20 H new ATOM 0 HG21 VAL A 50 8.759 -13.573 3.930 1.00 64.42 H new ATOM 0 HG22 VAL A 50 7.594 -14.823 3.433 1.00 64.42 H new ATOM 0 HG23 VAL A 50 9.252 -14.844 2.786 1.00 64.42 H new ATOM 749 N LEU A 51 6.677 -16.342 1.525 1.00 0.01 N ATOM 750 CA LEU A 51 5.670 -17.293 1.982 1.00 74.10 C ATOM 751 C LEU A 51 5.837 -17.591 3.468 1.00 20.55 C ATOM 752 O LEU A 51 6.912 -17.391 4.036 1.00 70.43 O ATOM 753 CB LEU A 51 5.762 -18.590 1.176 1.00 32.13 C ATOM 754 CG LEU A 51 4.516 -18.974 0.377 1.00 12.22 C ATOM 755 CD1 LEU A 51 4.899 -19.435 -1.020 1.00 61.42 C ATOM 756 CD2 LEU A 51 3.730 -20.057 1.102 1.00 62.01 C ATOM 0 H LEU A 51 7.620 -16.726 1.459 1.00 0.01 H new ATOM 0 HA LEU A 51 4.688 -16.846 1.829 1.00 74.10 H new ATOM 0 HB2 LEU A 51 6.601 -18.506 0.485 1.00 32.13 H new ATOM 0 HB3 LEU A 51 5.995 -19.405 1.862 1.00 32.13 H new ATOM 0 HG LEU A 51 3.881 -18.093 0.285 1.00 12.22 H new ATOM 0 HD11 LEU A 51 4.000 -19.704 -1.574 1.00 61.42 H new ATOM 0 HD12 LEU A 51 5.418 -18.629 -1.540 1.00 61.42 H new ATOM 0 HD13 LEU A 51 5.555 -20.303 -0.950 1.00 61.42 H new ATOM 0 HD21 LEU A 51 2.847 -20.318 0.519 1.00 62.01 H new ATOM 0 HD22 LEU A 51 4.357 -20.940 1.226 1.00 62.01 H new ATOM 0 HD23 LEU A 51 3.423 -19.690 2.081 1.00 62.01 H new ATOM 768 N LEU A 52 4.768 -18.073 4.094 1.00 44.22 N ATOM 769 CA LEU A 52 4.797 -18.402 5.515 1.00 50.32 C ATOM 770 C LEU A 52 4.007 -19.676 5.795 1.00 51.02 C ATOM 771 O LEU A 52 2.832 -19.623 6.158 1.00 10.42 O ATOM 772 CB LEU A 52 4.229 -17.244 6.338 1.00 74.32 C ATOM 773 CG LEU A 52 5.212 -16.130 6.698 1.00 70.13 C ATOM 774 CD1 LEU A 52 5.540 -15.291 5.472 1.00 32.13 C ATOM 775 CD2 LEU A 52 4.646 -15.257 7.808 1.00 32.11 C ATOM 0 H LEU A 52 3.871 -18.244 3.640 1.00 44.22 H new ATOM 0 HA LEU A 52 5.835 -18.570 5.803 1.00 50.32 H new ATOM 0 HB2 LEU A 52 3.399 -16.804 5.784 1.00 74.32 H new ATOM 0 HB3 LEU A 52 3.816 -17.649 7.262 1.00 74.32 H new ATOM 0 HG LEU A 52 6.134 -16.587 7.057 1.00 70.13 H new ATOM 0 HD11 LEU A 52 6.241 -14.503 5.747 1.00 32.13 H new ATOM 0 HD12 LEU A 52 5.989 -15.925 4.707 1.00 32.13 H new ATOM 0 HD13 LEU A 52 4.626 -14.843 5.082 1.00 32.13 H new ATOM 0 HD21 LEU A 52 5.359 -14.470 8.051 1.00 32.11 H new ATOM 0 HD22 LEU A 52 3.709 -14.809 7.476 1.00 32.11 H new ATOM 0 HD23 LEU A 52 4.463 -15.867 8.693 1.00 32.11 H new ATOM 787 N SER A 53 4.661 -20.821 5.625 1.00 14.21 N ATOM 788 CA SER A 53 4.019 -22.109 5.858 1.00 32.30 C ATOM 789 C SER A 53 4.119 -22.509 7.327 1.00 2.51 C ATOM 790 O SER A 53 5.085 -22.168 8.010 1.00 43.32 O ATOM 791 CB SER A 53 4.658 -23.187 4.980 1.00 35.21 C ATOM 792 OG SER A 53 3.837 -24.341 4.910 1.00 1.55 O ATOM 0 H SER A 53 5.635 -20.883 5.327 1.00 14.21 H new ATOM 0 HA SER A 53 2.965 -22.014 5.596 1.00 32.30 H new ATOM 0 HB2 SER A 53 4.823 -22.793 3.977 1.00 35.21 H new ATOM 0 HB3 SER A 53 5.635 -23.456 5.382 1.00 35.21 H new ATOM 0 HG SER A 53 4.267 -25.014 4.342 1.00 1.55 H new ATOM 798 N ASP A 54 3.114 -23.233 7.807 1.00 41.23 N ATOM 799 CA ASP A 54 3.088 -23.680 9.194 1.00 21.34 C ATOM 800 C ASP A 54 3.461 -25.156 9.297 1.00 44.14 C ATOM 801 O ASP A 54 3.739 -25.662 10.384 1.00 33.03 O ATOM 802 CB ASP A 54 1.704 -23.448 9.801 1.00 35.55 C ATOM 803 CG ASP A 54 1.771 -23.066 11.267 1.00 34.51 C ATOM 804 OD1 ASP A 54 2.111 -23.939 12.092 1.00 23.42 O ATOM 805 OD2 ASP A 54 1.481 -21.895 11.589 1.00 5.20 O ATOM 0 H ASP A 54 2.306 -23.523 7.255 1.00 41.23 H new ATOM 0 HA ASP A 54 3.823 -23.098 9.751 1.00 21.34 H new ATOM 0 HB2 ASP A 54 1.195 -22.660 9.246 1.00 35.55 H new ATOM 0 HB3 ASP A 54 1.106 -24.353 9.691 1.00 35.55 H new ATOM 810 N ILE A 55 3.465 -25.840 8.158 1.00 61.24 N ATOM 811 CA ILE A 55 3.804 -27.257 8.120 1.00 62.35 C ATOM 812 C ILE A 55 2.993 -28.044 9.144 1.00 65.23 C ATOM 813 O ILE A 55 3.427 -28.235 10.280 1.00 65.22 O ATOM 814 CB ILE A 55 5.304 -27.485 8.385 1.00 42.44 C ATOM 815 CG1 ILE A 55 6.146 -26.554 7.509 1.00 71.11 C ATOM 816 CG2 ILE A 55 5.673 -28.938 8.129 1.00 31.32 C ATOM 817 CD1 ILE A 55 7.628 -26.626 7.801 1.00 23.32 C ATOM 0 H ILE A 55 3.237 -25.436 7.250 1.00 61.24 H new ATOM 0 HA ILE A 55 3.563 -27.612 7.118 1.00 62.35 H new ATOM 0 HB ILE A 55 5.512 -27.257 9.430 1.00 42.44 H new ATOM 0 HG12 ILE A 55 5.978 -26.804 6.461 1.00 71.11 H new ATOM 0 HG13 ILE A 55 5.805 -25.528 7.651 1.00 71.11 H new ATOM 0 HG21 ILE A 55 6.736 -29.083 8.321 1.00 31.32 H new ATOM 0 HG22 ILE A 55 5.094 -29.582 8.791 1.00 31.32 H new ATOM 0 HG23 ILE A 55 5.454 -29.192 7.092 1.00 31.32 H new ATOM 0 HD11 ILE A 55 8.162 -25.940 7.143 1.00 23.32 H new ATOM 0 HD12 ILE A 55 7.808 -26.347 8.839 1.00 23.32 H new ATOM 0 HD13 ILE A 55 7.983 -27.642 7.631 1.00 23.32 H new ATOM 920 N GLY A 62 5.936 -30.141 4.905 1.00 62.12 N ATOM 921 CA GLY A 62 6.458 -28.820 4.605 1.00 33.40 C ATOM 922 C GLY A 62 7.631 -28.864 3.647 1.00 64.32 C ATOM 923 O GLY A 62 7.641 -28.165 2.633 1.00 62.23 O ATOM 0 HA2 GLY A 62 5.665 -28.208 4.175 1.00 33.40 H new ATOM 0 HA3 GLY A 62 6.767 -28.336 5.531 1.00 33.40 H new ATOM 927 N LEU A 63 8.625 -29.686 3.968 1.00 75.13 N ATOM 928 CA LEU A 63 9.810 -29.818 3.128 1.00 4.53 C ATOM 929 C LEU A 63 9.427 -30.176 1.696 1.00 32.12 C ATOM 930 O LEU A 63 10.114 -29.802 0.747 1.00 43.52 O ATOM 931 CB LEU A 63 10.748 -30.883 3.699 1.00 10.12 C ATOM 932 CG LEU A 63 11.570 -30.469 4.920 1.00 44.30 C ATOM 933 CD1 LEU A 63 10.668 -30.266 6.127 1.00 3.53 C ATOM 934 CD2 LEU A 63 12.640 -31.509 5.220 1.00 1.41 C ATOM 0 H LEU A 63 8.633 -30.271 4.804 1.00 75.13 H new ATOM 0 HA LEU A 63 10.325 -28.857 3.116 1.00 4.53 H new ATOM 0 HB2 LEU A 63 10.153 -31.757 3.966 1.00 10.12 H new ATOM 0 HB3 LEU A 63 11.435 -31.193 2.912 1.00 10.12 H new ATOM 0 HG LEU A 63 12.063 -29.523 4.698 1.00 44.30 H new ATOM 0 HD11 LEU A 63 11.271 -29.972 6.986 1.00 3.53 H new ATOM 0 HD12 LEU A 63 9.940 -29.484 5.910 1.00 3.53 H new ATOM 0 HD13 LEU A 63 10.146 -31.196 6.352 1.00 3.53 H new ATOM 0 HD21 LEU A 63 13.215 -31.198 6.092 1.00 1.41 H new ATOM 0 HD22 LEU A 63 12.167 -32.470 5.421 1.00 1.41 H new ATOM 0 HD23 LEU A 63 13.305 -31.605 4.362 1.00 1.41 H new ATOM 946 N ALA A 64 8.323 -30.902 1.549 1.00 65.03 N ATOM 947 CA ALA A 64 7.846 -31.307 0.233 1.00 71.35 C ATOM 948 C ALA A 64 7.900 -30.145 -0.753 1.00 11.11 C ATOM 949 O ALA A 64 8.551 -30.230 -1.795 1.00 22.51 O ATOM 950 CB ALA A 64 6.429 -31.854 0.330 1.00 2.43 C ATOM 0 H ALA A 64 7.743 -31.221 2.325 1.00 65.03 H new ATOM 0 HA ALA A 64 8.503 -32.094 -0.137 1.00 71.35 H new ATOM 0 HB1 ALA A 64 6.086 -32.153 -0.660 1.00 2.43 H new ATOM 0 HB2 ALA A 64 6.417 -32.718 0.994 1.00 2.43 H new ATOM 0 HB3 ALA A 64 5.768 -31.083 0.726 1.00 2.43 H new ATOM 956 N LEU A 65 7.211 -29.059 -0.418 1.00 63.31 N ATOM 957 CA LEU A 65 7.180 -27.879 -1.275 1.00 2.35 C ATOM 958 C LEU A 65 8.316 -26.923 -0.925 1.00 44.35 C ATOM 959 O LEU A 65 8.911 -26.300 -1.806 1.00 63.34 O ATOM 960 CB LEU A 65 5.836 -27.162 -1.140 1.00 13.24 C ATOM 961 CG LEU A 65 5.461 -26.697 0.268 1.00 31.53 C ATOM 962 CD1 LEU A 65 4.531 -25.496 0.204 1.00 4.52 C ATOM 963 CD2 LEU A 65 4.815 -27.832 1.050 1.00 62.31 C ATOM 0 H LEU A 65 6.667 -28.971 0.440 1.00 63.31 H new ATOM 0 HA LEU A 65 7.309 -28.206 -2.307 1.00 2.35 H new ATOM 0 HB2 LEU A 65 5.843 -26.293 -1.798 1.00 13.24 H new ATOM 0 HB3 LEU A 65 5.053 -27.829 -1.501 1.00 13.24 H new ATOM 0 HG LEU A 65 6.373 -26.398 0.785 1.00 31.53 H new ATOM 0 HD11 LEU A 65 4.275 -25.180 1.215 1.00 4.52 H new ATOM 0 HD12 LEU A 65 5.028 -24.678 -0.317 1.00 4.52 H new ATOM 0 HD13 LEU A 65 3.622 -25.768 -0.332 1.00 4.52 H new ATOM 0 HD21 LEU A 65 4.555 -27.483 2.049 1.00 62.31 H new ATOM 0 HD22 LEU A 65 3.913 -28.162 0.534 1.00 62.31 H new ATOM 0 HD23 LEU A 65 5.514 -28.665 1.127 1.00 62.31 H new ATOM 975 N LEU A 66 8.614 -26.812 0.364 1.00 23.24 N ATOM 976 CA LEU A 66 9.682 -25.934 0.831 1.00 54.34 C ATOM 977 C LEU A 66 11.002 -26.269 0.144 1.00 12.10 C ATOM 978 O LEU A 66 11.660 -25.395 -0.420 1.00 43.13 O ATOM 979 CB LEU A 66 9.839 -26.050 2.348 1.00 74.13 C ATOM 980 CG LEU A 66 8.954 -25.127 3.187 1.00 60.32 C ATOM 981 CD1 LEU A 66 8.651 -25.760 4.536 1.00 5.03 C ATOM 982 CD2 LEU A 66 9.620 -23.771 3.369 1.00 75.02 C ATOM 0 H LEU A 66 8.131 -27.319 1.106 1.00 23.24 H new ATOM 0 HA LEU A 66 9.412 -24.909 0.578 1.00 54.34 H new ATOM 0 HB2 LEU A 66 9.632 -27.080 2.637 1.00 74.13 H new ATOM 0 HB3 LEU A 66 10.880 -25.851 2.602 1.00 74.13 H new ATOM 0 HG LEU A 66 8.012 -24.979 2.659 1.00 60.32 H new ATOM 0 HD11 LEU A 66 8.020 -25.089 5.119 1.00 5.03 H new ATOM 0 HD12 LEU A 66 8.132 -26.707 4.385 1.00 5.03 H new ATOM 0 HD13 LEU A 66 9.583 -25.939 5.072 1.00 5.03 H new ATOM 0 HD21 LEU A 66 8.976 -23.127 3.968 1.00 75.02 H new ATOM 0 HD22 LEU A 66 10.577 -23.900 3.875 1.00 75.02 H new ATOM 0 HD23 LEU A 66 9.785 -23.313 2.394 1.00 75.02 H new ATOM 994 N LYS A 67 11.382 -27.541 0.194 1.00 4.11 N ATOM 995 CA LYS A 67 12.622 -27.994 -0.426 1.00 20.05 C ATOM 996 C LYS A 67 12.696 -27.550 -1.883 1.00 74.41 C ATOM 997 O LYS A 67 13.777 -27.280 -2.404 1.00 40.14 O ATOM 998 CB LYS A 67 12.732 -29.518 -0.339 1.00 42.00 C ATOM 999 CG LYS A 67 12.867 -30.038 1.082 1.00 73.44 C ATOM 1000 CD LYS A 67 14.260 -29.793 1.636 1.00 51.41 C ATOM 1001 CE LYS A 67 15.306 -30.613 0.897 1.00 4.31 C ATOM 1002 NZ LYS A 67 16.387 -29.756 0.335 1.00 71.13 N ATOM 0 H LYS A 67 10.849 -28.277 0.658 1.00 4.11 H new ATOM 0 HA LYS A 67 13.455 -27.544 0.114 1.00 20.05 H new ATOM 0 HB2 LYS A 67 11.850 -29.964 -0.798 1.00 42.00 H new ATOM 0 HB3 LYS A 67 13.594 -29.845 -0.920 1.00 42.00 H new ATOM 0 HG2 LYS A 67 12.130 -29.551 1.720 1.00 73.44 H new ATOM 0 HG3 LYS A 67 12.649 -31.106 1.102 1.00 73.44 H new ATOM 0 HD2 LYS A 67 14.503 -28.734 1.556 1.00 51.41 H new ATOM 0 HD3 LYS A 67 14.281 -30.045 2.696 1.00 51.41 H new ATOM 0 HE2 LYS A 67 15.740 -31.346 1.577 1.00 4.31 H new ATOM 0 HE3 LYS A 67 14.828 -31.170 0.091 1.00 4.31 H new ATOM 0 HZ1 LYS A 67 17.080 -30.352 -0.161 1.00 71.13 H new ATOM 0 HZ2 LYS A 67 15.976 -29.073 -0.333 1.00 71.13 H new ATOM 0 HZ3 LYS A 67 16.860 -29.244 1.106 1.00 71.13 H new ATOM 1016 N GLN A 68 11.539 -27.477 -2.534 1.00 31.03 N ATOM 1017 CA GLN A 68 11.474 -27.065 -3.931 1.00 32.11 C ATOM 1018 C GLN A 68 11.401 -25.546 -4.048 1.00 22.22 C ATOM 1019 O GLN A 68 11.759 -24.976 -5.079 1.00 4.34 O ATOM 1020 CB GLN A 68 10.262 -27.700 -4.616 1.00 1.34 C ATOM 1021 CG GLN A 68 9.102 -26.738 -4.813 1.00 52.31 C ATOM 1022 CD GLN A 68 7.761 -27.444 -4.869 1.00 44.42 C ATOM 1023 OE1 GLN A 68 7.629 -28.500 -5.488 1.00 35.03 O ATOM 1024 NE2 GLN A 68 6.758 -26.862 -4.222 1.00 23.44 N ATOM 0 H GLN A 68 10.635 -27.698 -2.116 1.00 31.03 H new ATOM 0 HA GLN A 68 12.383 -27.406 -4.427 1.00 32.11 H new ATOM 0 HB2 GLN A 68 10.567 -28.092 -5.586 1.00 1.34 H new ATOM 0 HB3 GLN A 68 9.923 -28.549 -4.022 1.00 1.34 H new ATOM 0 HG2 GLN A 68 9.093 -26.014 -3.998 1.00 52.31 H new ATOM 0 HG3 GLN A 68 9.252 -26.178 -5.736 1.00 52.31 H new ATOM 0 HE21 GLN A 68 6.913 -25.987 -3.722 1.00 23.44 H new ATOM 0 HE22 GLN A 68 5.832 -27.290 -4.225 1.00 23.44 H new ATOM 1033 N ILE A 69 10.935 -24.898 -2.986 1.00 3.32 N ATOM 1034 CA ILE A 69 10.817 -23.445 -2.970 1.00 13.01 C ATOM 1035 C ILE A 69 12.190 -22.781 -2.960 1.00 74.45 C ATOM 1036 O ILE A 69 12.364 -21.681 -3.485 1.00 15.04 O ATOM 1037 CB ILE A 69 10.016 -22.959 -1.748 1.00 14.14 C ATOM 1038 CG1 ILE A 69 8.525 -23.246 -1.940 1.00 41.25 C ATOM 1039 CG2 ILE A 69 10.249 -21.473 -1.518 1.00 23.31 C ATOM 1040 CD1 ILE A 69 7.757 -23.351 -0.642 1.00 0.34 C ATOM 0 H ILE A 69 10.633 -25.356 -2.126 1.00 3.32 H new ATOM 0 HA ILE A 69 10.286 -23.162 -3.879 1.00 13.01 H new ATOM 0 HB ILE A 69 10.361 -23.502 -0.868 1.00 14.14 H new ATOM 0 HG12 ILE A 69 8.087 -22.455 -2.549 1.00 41.25 H new ATOM 0 HG13 ILE A 69 8.411 -24.177 -2.496 1.00 41.25 H new ATOM 0 HG21 ILE A 69 9.676 -21.145 -0.651 1.00 23.31 H new ATOM 0 HG22 ILE A 69 11.310 -21.294 -1.341 1.00 23.31 H new ATOM 0 HG23 ILE A 69 9.929 -20.914 -2.397 1.00 23.31 H new ATOM 0 HD11 ILE A 69 6.708 -23.555 -0.856 1.00 0.34 H new ATOM 0 HD12 ILE A 69 8.169 -24.161 -0.040 1.00 0.34 H new ATOM 0 HD13 ILE A 69 7.840 -22.413 -0.093 1.00 0.34 H new ATOM 1052 N LYS A 70 13.164 -23.459 -2.362 1.00 51.44 N ATOM 1053 CA LYS A 70 14.524 -22.938 -2.287 1.00 14.34 C ATOM 1054 C LYS A 70 15.279 -23.197 -3.586 1.00 72.02 C ATOM 1055 O LYS A 70 16.196 -22.456 -3.939 1.00 71.23 O ATOM 1056 CB LYS A 70 15.271 -23.576 -1.114 1.00 5.33 C ATOM 1057 CG LYS A 70 14.890 -22.997 0.238 1.00 70.11 C ATOM 1058 CD LYS A 70 14.780 -24.081 1.297 1.00 10.34 C ATOM 1059 CE LYS A 70 16.149 -24.601 1.707 1.00 63.24 C ATOM 1060 NZ LYS A 70 16.218 -26.088 1.648 1.00 41.54 N ATOM 0 H LYS A 70 13.037 -24.371 -1.922 1.00 51.44 H new ATOM 0 HA LYS A 70 14.466 -21.861 -2.131 1.00 14.34 H new ATOM 0 HB2 LYS A 70 15.074 -24.648 -1.109 1.00 5.33 H new ATOM 0 HB3 LYS A 70 16.343 -23.449 -1.265 1.00 5.33 H new ATOM 0 HG2 LYS A 70 15.635 -22.263 0.544 1.00 70.11 H new ATOM 0 HG3 LYS A 70 13.939 -22.470 0.155 1.00 70.11 H new ATOM 0 HD2 LYS A 70 14.263 -23.686 2.171 1.00 10.34 H new ATOM 0 HD3 LYS A 70 14.176 -24.904 0.915 1.00 10.34 H new ATOM 0 HE2 LYS A 70 16.910 -24.176 1.053 1.00 63.24 H new ATOM 0 HE3 LYS A 70 16.376 -24.267 2.719 1.00 63.24 H new ATOM 0 HZ1 LYS A 70 16.557 -26.456 2.560 1.00 41.54 H new ATOM 0 HZ2 LYS A 70 15.272 -26.472 1.450 1.00 41.54 H new ATOM 0 HZ3 LYS A 70 16.873 -26.375 0.893 1.00 41.54 H new ATOM 1074 N GLN A 71 14.886 -24.252 -4.293 1.00 41.43 N ATOM 1075 CA GLN A 71 15.526 -24.607 -5.554 1.00 44.22 C ATOM 1076 C GLN A 71 14.892 -23.853 -6.718 1.00 41.22 C ATOM 1077 O GLN A 71 15.584 -23.414 -7.637 1.00 61.43 O ATOM 1078 CB GLN A 71 15.428 -26.114 -5.793 1.00 61.45 C ATOM 1079 CG GLN A 71 16.675 -26.713 -6.425 1.00 54.35 C ATOM 1080 CD GLN A 71 16.370 -27.496 -7.687 1.00 65.50 C ATOM 1081 OE1 GLN A 71 16.560 -28.712 -7.737 1.00 63.13 O ATOM 1082 NE2 GLN A 71 15.895 -26.803 -8.715 1.00 64.10 N ATOM 0 H GLN A 71 14.128 -24.875 -4.014 1.00 41.43 H new ATOM 0 HA GLN A 71 16.577 -24.324 -5.491 1.00 44.22 H new ATOM 0 HB2 GLN A 71 15.237 -26.612 -4.843 1.00 61.45 H new ATOM 0 HB3 GLN A 71 14.572 -26.316 -6.436 1.00 61.45 H new ATOM 0 HG2 GLN A 71 17.379 -25.914 -6.659 1.00 54.35 H new ATOM 0 HG3 GLN A 71 17.164 -27.368 -5.704 1.00 54.35 H new ATOM 0 HE21 GLN A 71 15.753 -25.797 -8.630 1.00 64.10 H new ATOM 0 HE22 GLN A 71 15.672 -27.277 -9.590 1.00 64.10 H new ATOM 1091 N ARG A 72 13.572 -23.706 -6.673 1.00 0.14 N ATOM 1092 CA ARG A 72 12.844 -23.006 -7.724 1.00 63.24 C ATOM 1093 C ARG A 72 12.948 -21.495 -7.544 1.00 44.44 C ATOM 1094 O ARG A 72 13.116 -20.753 -8.513 1.00 61.44 O ATOM 1095 CB ARG A 72 11.375 -23.430 -7.726 1.00 35.40 C ATOM 1096 CG ARG A 72 10.768 -23.520 -9.117 1.00 21.52 C ATOM 1097 CD ARG A 72 10.364 -22.150 -9.638 1.00 64.23 C ATOM 1098 NE ARG A 72 11.028 -21.827 -10.898 1.00 41.23 N ATOM 1099 CZ ARG A 72 10.587 -20.904 -11.745 1.00 40.45 C ATOM 1100 NH1 ARG A 72 9.488 -20.216 -11.468 1.00 51.24 N ATOM 1101 NH2 ARG A 72 11.246 -20.666 -12.872 1.00 62.34 N ATOM 0 H ARG A 72 12.985 -24.063 -5.919 1.00 0.14 H new ATOM 0 HA ARG A 72 13.293 -23.272 -8.681 1.00 63.24 H new ATOM 0 HB2 ARG A 72 11.285 -24.400 -7.236 1.00 35.40 H new ATOM 0 HB3 ARG A 72 10.800 -22.719 -7.133 1.00 35.40 H new ATOM 0 HG2 ARG A 72 11.487 -23.973 -9.800 1.00 21.52 H new ATOM 0 HG3 ARG A 72 9.896 -24.173 -9.093 1.00 21.52 H new ATOM 0 HD2 ARG A 72 9.284 -22.120 -9.779 1.00 64.23 H new ATOM 0 HD3 ARG A 72 10.609 -21.392 -8.894 1.00 64.23 H new ATOM 0 HE ARG A 72 11.877 -22.338 -11.141 1.00 41.23 H new ATOM 0 HH11 ARG A 72 8.979 -20.395 -10.602 1.00 51.24 H new ATOM 0 HH12 ARG A 72 9.152 -19.508 -12.120 1.00 51.24 H new ATOM 0 HH21 ARG A 72 12.092 -21.192 -13.089 1.00 62.34 H new ATOM 0 HH22 ARG A 72 10.906 -19.957 -13.522 1.00 62.34 H new ATOM 1115 N HIS A 73 12.847 -21.044 -6.298 1.00 3.21 N ATOM 1116 CA HIS A 73 12.930 -19.620 -5.991 1.00 21.33 C ATOM 1117 C HIS A 73 13.961 -19.360 -4.897 1.00 4.30 C ATOM 1118 O HIS A 73 13.625 -19.107 -3.740 1.00 52.31 O ATOM 1119 CB HIS A 73 11.563 -19.091 -5.556 1.00 3.43 C ATOM 1120 CG HIS A 73 10.442 -19.520 -6.451 1.00 10.11 C ATOM 1121 ND1 HIS A 73 10.098 -18.845 -7.603 1.00 44.02 N ATOM 1122 CD2 HIS A 73 9.585 -20.564 -6.359 1.00 4.14 C ATOM 1123 CE1 HIS A 73 9.078 -19.454 -8.180 1.00 31.20 C ATOM 1124 NE2 HIS A 73 8.748 -20.501 -7.445 1.00 13.32 N ATOM 0 H HIS A 73 12.708 -21.643 -5.485 1.00 3.21 H new ATOM 0 HA HIS A 73 13.244 -19.096 -6.894 1.00 21.33 H new ATOM 0 HB2 HIS A 73 11.357 -19.431 -4.541 1.00 3.43 H new ATOM 0 HB3 HIS A 73 11.597 -18.002 -5.526 1.00 3.43 H new ATOM 0 HD1 HIS A 73 10.559 -18.006 -7.955 1.00 44.02 H new ATOM 0 HD2 HIS A 73 9.564 -21.308 -5.577 1.00 4.14 H new ATOM 0 HE1 HIS A 73 8.596 -19.148 -9.097 1.00 31.20 H new ATOM 1132 N PRO A 74 15.248 -19.423 -5.269 1.00 65.22 N ATOM 1133 CA PRO A 74 16.355 -19.197 -4.335 1.00 31.35 C ATOM 1134 C PRO A 74 16.453 -17.741 -3.893 1.00 53.02 C ATOM 1135 O PRO A 74 17.177 -17.415 -2.953 1.00 71.11 O ATOM 1136 CB PRO A 74 17.591 -19.594 -5.145 1.00 70.45 C ATOM 1137 CG PRO A 74 17.190 -19.399 -6.567 1.00 3.00 C ATOM 1138 CD PRO A 74 15.723 -19.720 -6.631 1.00 53.14 C ATOM 0 HA PRO A 74 16.232 -19.766 -3.413 1.00 31.35 H new ATOM 0 HB2 PRO A 74 18.449 -18.974 -4.887 1.00 70.45 H new ATOM 0 HB3 PRO A 74 17.875 -20.628 -4.952 1.00 70.45 H new ATOM 0 HG2 PRO A 74 17.380 -18.375 -6.889 1.00 3.00 H new ATOM 0 HG3 PRO A 74 17.762 -20.052 -7.227 1.00 3.00 H new ATOM 0 HD2 PRO A 74 15.211 -19.112 -7.377 1.00 53.14 H new ATOM 0 HD3 PRO A 74 15.551 -20.763 -6.898 1.00 53.14 H new ATOM 1146 N MET A 75 15.719 -16.870 -4.577 1.00 52.54 N ATOM 1147 CA MET A 75 15.722 -15.448 -4.254 1.00 4.43 C ATOM 1148 C MET A 75 14.489 -15.073 -3.438 1.00 2.31 C ATOM 1149 O MET A 75 14.436 -14.003 -2.830 1.00 42.30 O ATOM 1150 CB MET A 75 15.775 -14.611 -5.534 1.00 30.42 C ATOM 1151 CG MET A 75 14.561 -14.795 -6.430 1.00 31.10 C ATOM 1152 SD MET A 75 13.919 -13.232 -7.058 1.00 53.14 S ATOM 1153 CE MET A 75 12.578 -12.931 -5.910 1.00 13.51 C ATOM 0 H MET A 75 15.115 -17.124 -5.358 1.00 52.54 H new ATOM 0 HA MET A 75 16.609 -15.239 -3.656 1.00 4.43 H new ATOM 0 HB2 MET A 75 15.863 -13.558 -5.267 1.00 30.42 H new ATOM 0 HB3 MET A 75 16.673 -14.874 -6.094 1.00 30.42 H new ATOM 0 HG2 MET A 75 14.828 -15.437 -7.269 1.00 31.10 H new ATOM 0 HG3 MET A 75 13.777 -15.308 -5.873 1.00 31.10 H new ATOM 0 HE1 MET A 75 12.081 -11.996 -6.168 1.00 13.51 H new ATOM 0 HE2 MET A 75 11.861 -13.750 -5.965 1.00 13.51 H new ATOM 0 HE3 MET A 75 12.975 -12.864 -4.897 1.00 13.51 H new ATOM 1163 N LEU A 76 13.500 -15.959 -3.429 1.00 14.21 N ATOM 1164 CA LEU A 76 12.266 -15.721 -2.688 1.00 10.45 C ATOM 1165 C LEU A 76 12.412 -16.156 -1.233 1.00 2.21 C ATOM 1166 O LEU A 76 12.632 -17.328 -0.929 1.00 64.42 O ATOM 1167 CB LEU A 76 11.103 -16.468 -3.341 1.00 35.50 C ATOM 1168 CG LEU A 76 9.742 -16.321 -2.659 1.00 1.03 C ATOM 1169 CD1 LEU A 76 9.175 -14.929 -2.893 1.00 65.30 C ATOM 1170 CD2 LEU A 76 8.776 -17.384 -3.161 1.00 14.22 C ATOM 0 H LEU A 76 13.528 -16.849 -3.926 1.00 14.21 H new ATOM 0 HA LEU A 76 12.060 -14.651 -2.709 1.00 10.45 H new ATOM 0 HB2 LEU A 76 11.010 -16.124 -4.371 1.00 35.50 H new ATOM 0 HB3 LEU A 76 11.355 -17.528 -3.380 1.00 35.50 H new ATOM 0 HG LEU A 76 9.878 -16.460 -1.586 1.00 1.03 H new ATOM 0 HD11 LEU A 76 8.206 -14.843 -2.400 1.00 65.30 H new ATOM 0 HD12 LEU A 76 9.858 -14.184 -2.483 1.00 65.30 H new ATOM 0 HD13 LEU A 76 9.054 -14.761 -3.963 1.00 65.30 H new ATOM 0 HD21 LEU A 76 7.813 -17.264 -2.665 1.00 14.22 H new ATOM 0 HD22 LEU A 76 8.645 -17.277 -4.238 1.00 14.22 H new ATOM 0 HD23 LEU A 76 9.177 -18.373 -2.940 1.00 14.22 H new ATOM 1182 N PRO A 77 12.285 -15.190 -0.311 1.00 22.35 N ATOM 1183 CA PRO A 77 12.397 -15.450 1.128 1.00 73.11 C ATOM 1184 C PRO A 77 11.218 -16.254 1.665 1.00 55.11 C ATOM 1185 O PRO A 77 10.080 -16.071 1.232 1.00 52.02 O ATOM 1186 CB PRO A 77 12.412 -14.048 1.741 1.00 13.24 C ATOM 1187 CG PRO A 77 11.701 -13.193 0.750 1.00 41.22 C ATOM 1188 CD PRO A 77 12.022 -13.771 -0.601 1.00 3.22 C ATOM 0 HA PRO A 77 13.279 -16.044 1.368 1.00 73.11 H new ATOM 0 HB2 PRO A 77 11.910 -14.034 2.708 1.00 13.24 H new ATOM 0 HB3 PRO A 77 13.431 -13.699 1.906 1.00 13.24 H new ATOM 0 HG2 PRO A 77 10.626 -13.197 0.931 1.00 41.22 H new ATOM 0 HG3 PRO A 77 12.032 -12.157 0.820 1.00 41.22 H new ATOM 0 HD2 PRO A 77 11.192 -13.650 -1.297 1.00 3.22 H new ATOM 0 HD3 PRO A 77 12.888 -13.285 -1.050 1.00 3.22 H new ATOM 1196 N VAL A 78 11.496 -17.145 2.611 1.00 4.23 N ATOM 1197 CA VAL A 78 10.458 -17.976 3.209 1.00 41.21 C ATOM 1198 C VAL A 78 10.682 -18.143 4.708 1.00 45.44 C ATOM 1199 O VAL A 78 11.810 -18.038 5.192 1.00 72.30 O ATOM 1200 CB VAL A 78 10.405 -19.367 2.551 1.00 60.41 C ATOM 1201 CG1 VAL A 78 9.258 -20.185 3.123 1.00 35.53 C ATOM 1202 CG2 VAL A 78 10.277 -19.238 1.041 1.00 53.53 C ATOM 0 H VAL A 78 12.432 -17.310 2.980 1.00 4.23 H new ATOM 0 HA VAL A 78 9.509 -17.466 3.042 1.00 41.21 H new ATOM 0 HB VAL A 78 11.337 -19.889 2.770 1.00 60.41 H new ATOM 0 HG11 VAL A 78 9.236 -21.165 2.646 1.00 35.53 H new ATOM 0 HG12 VAL A 78 9.399 -20.307 4.197 1.00 35.53 H new ATOM 0 HG13 VAL A 78 8.316 -19.670 2.937 1.00 35.53 H new ATOM 0 HG21 VAL A 78 10.241 -20.231 0.593 1.00 53.53 H new ATOM 0 HG22 VAL A 78 9.362 -18.697 0.798 1.00 53.53 H new ATOM 0 HG23 VAL A 78 11.136 -18.694 0.648 1.00 53.53 H new ATOM 1212 N ILE A 79 9.602 -18.403 5.437 1.00 44.44 N ATOM 1213 CA ILE A 79 9.682 -18.586 6.880 1.00 11.44 C ATOM 1214 C ILE A 79 9.009 -19.885 7.308 1.00 73.53 C ATOM 1215 O ILE A 79 7.972 -20.267 6.763 1.00 23.44 O ATOM 1216 CB ILE A 79 9.029 -17.411 7.633 1.00 25.25 C ATOM 1217 CG1 ILE A 79 9.656 -16.085 7.196 1.00 32.51 C ATOM 1218 CG2 ILE A 79 9.173 -17.601 9.136 1.00 13.42 C ATOM 1219 CD1 ILE A 79 8.740 -14.896 7.377 1.00 55.44 C ATOM 0 H ILE A 79 8.662 -18.492 5.052 1.00 44.44 H new ATOM 0 HA ILE A 79 10.741 -18.627 7.134 1.00 11.44 H new ATOM 0 HB ILE A 79 7.967 -17.387 7.389 1.00 25.25 H new ATOM 0 HG12 ILE A 79 10.570 -15.919 7.766 1.00 32.51 H new ATOM 0 HG13 ILE A 79 9.943 -16.156 6.147 1.00 32.51 H new ATOM 0 HG21 ILE A 79 8.707 -16.763 9.655 1.00 13.42 H new ATOM 0 HG22 ILE A 79 8.685 -18.529 9.434 1.00 13.42 H new ATOM 0 HG23 ILE A 79 10.230 -17.647 9.397 1.00 13.42 H new ATOM 0 HD11 ILE A 79 9.250 -13.991 7.047 1.00 55.44 H new ATOM 0 HD12 ILE A 79 7.836 -15.040 6.785 1.00 55.44 H new ATOM 0 HD13 ILE A 79 8.473 -14.799 8.429 1.00 55.44 H new ATOM 1231 N ILE A 80 9.604 -20.560 8.286 1.00 54.41 N ATOM 1232 CA ILE A 80 9.060 -21.815 8.788 1.00 33.23 C ATOM 1233 C ILE A 80 8.357 -21.613 10.127 1.00 70.55 C ATOM 1234 O ILE A 80 8.819 -20.848 10.972 1.00 32.13 O ATOM 1235 CB ILE A 80 10.161 -22.879 8.955 1.00 72.13 C ATOM 1236 CG1 ILE A 80 10.912 -23.078 7.636 1.00 14.14 C ATOM 1237 CG2 ILE A 80 9.560 -24.193 9.432 1.00 40.13 C ATOM 1238 CD1 ILE A 80 10.162 -23.931 6.637 1.00 23.10 C ATOM 0 H ILE A 80 10.463 -20.258 8.746 1.00 54.41 H new ATOM 0 HA ILE A 80 8.338 -22.164 8.050 1.00 33.23 H new ATOM 0 HB ILE A 80 10.870 -22.532 9.707 1.00 72.13 H new ATOM 0 HG12 ILE A 80 11.113 -22.103 7.191 1.00 14.14 H new ATOM 0 HG13 ILE A 80 11.878 -23.539 7.843 1.00 14.14 H new ATOM 0 HG21 ILE A 80 10.351 -24.935 9.545 1.00 40.13 H new ATOM 0 HG22 ILE A 80 9.066 -24.040 10.391 1.00 40.13 H new ATOM 0 HG23 ILE A 80 8.832 -24.547 8.701 1.00 40.13 H new ATOM 0 HD11 ILE A 80 10.753 -24.030 5.727 1.00 23.10 H new ATOM 0 HD12 ILE A 80 9.984 -24.918 7.063 1.00 23.10 H new ATOM 0 HD13 ILE A 80 9.208 -23.460 6.401 1.00 23.10 H new ATOM 1250 N MET A 81 7.238 -22.307 10.312 1.00 44.13 N ATOM 1251 CA MET A 81 6.473 -22.206 11.549 1.00 62.10 C ATOM 1252 C MET A 81 6.260 -23.583 12.170 1.00 5.13 C ATOM 1253 O MET A 81 5.693 -24.478 11.543 1.00 63.11 O ATOM 1254 CB MET A 81 5.122 -21.538 11.285 1.00 23.43 C ATOM 1255 CG MET A 81 5.074 -20.078 11.706 1.00 74.44 C ATOM 1256 SD MET A 81 4.492 -18.995 10.387 1.00 43.12 S ATOM 1257 CE MET A 81 2.884 -19.707 10.048 1.00 64.25 C ATOM 0 H MET A 81 6.842 -22.945 9.621 1.00 44.13 H new ATOM 0 HA MET A 81 7.041 -21.595 12.250 1.00 62.10 H new ATOM 0 HB2 MET A 81 4.892 -21.609 10.222 1.00 23.43 H new ATOM 0 HB3 MET A 81 4.344 -22.087 11.816 1.00 23.43 H new ATOM 0 HG2 MET A 81 4.419 -19.975 12.571 1.00 74.44 H new ATOM 0 HG3 MET A 81 6.069 -19.761 12.019 1.00 74.44 H new ATOM 0 HE1 MET A 81 2.584 -19.459 9.030 1.00 64.25 H new ATOM 0 HE2 MET A 81 2.935 -20.790 10.158 1.00 64.25 H new ATOM 0 HE3 MET A 81 2.153 -19.306 10.750 1.00 64.25 H new ATOM 1267 N THR A 82 6.719 -23.746 13.407 1.00 22.54 N ATOM 1268 CA THR A 82 6.580 -25.014 14.113 1.00 64.34 C ATOM 1269 C THR A 82 7.197 -24.940 15.505 1.00 44.45 C ATOM 1270 O THR A 82 6.513 -24.638 16.482 1.00 40.33 O ATOM 1271 CB THR A 82 7.240 -26.167 13.332 1.00 4.40 C ATOM 1272 OG1 THR A 82 7.579 -27.233 14.226 1.00 74.14 O ATOM 1273 CG2 THR A 82 8.491 -25.686 12.612 1.00 42.41 C ATOM 0 H THR A 82 7.190 -23.016 13.941 1.00 22.54 H new ATOM 0 HA THR A 82 5.511 -25.210 14.203 1.00 64.34 H new ATOM 0 HB THR A 82 6.528 -26.528 12.590 1.00 4.40 H new ATOM 0 HG1 THR A 82 6.836 -27.870 14.272 1.00 74.14 H new ATOM 0 HG21 THR A 82 8.940 -26.517 12.068 1.00 42.41 H new ATOM 0 HG22 THR A 82 8.226 -24.894 11.911 1.00 42.41 H new ATOM 0 HG23 THR A 82 9.205 -25.302 13.340 1.00 42.41 H new ATOM 1281 N ALA A 83 8.495 -25.216 15.587 1.00 33.03 N ATOM 1282 CA ALA A 83 9.204 -25.177 16.860 1.00 63.31 C ATOM 1283 C ALA A 83 8.622 -26.186 17.844 1.00 13.43 C ATOM 1284 O ALA A 83 7.957 -25.812 18.811 1.00 10.32 O ATOM 1285 CB ALA A 83 9.157 -23.775 17.448 1.00 41.20 C ATOM 0 H ALA A 83 9.076 -25.469 14.788 1.00 33.03 H new ATOM 0 HA ALA A 83 10.244 -25.447 16.677 1.00 63.31 H new ATOM 0 HB1 ALA A 83 9.690 -23.761 18.398 1.00 41.20 H new ATOM 0 HB2 ALA A 83 9.627 -23.075 16.758 1.00 41.20 H new ATOM 0 HB3 ALA A 83 8.119 -23.483 17.610 1.00 41.20 H new ATOM 1291 N HIS A 84 8.874 -27.466 17.592 1.00 64.10 N ATOM 1292 CA HIS A 84 8.374 -28.529 18.457 1.00 43.13 C ATOM 1293 C HIS A 84 8.838 -29.896 17.961 1.00 12.55 C ATOM 1294 O HIS A 84 9.102 -30.797 18.756 1.00 25.52 O ATOM 1295 CB HIS A 84 6.847 -28.487 18.520 1.00 22.42 C ATOM 1296 CG HIS A 84 6.187 -28.670 17.188 1.00 22.43 C ATOM 1297 ND1 HIS A 84 5.998 -29.906 16.606 1.00 55.33 N ATOM 1298 CD2 HIS A 84 5.670 -27.765 16.325 1.00 74.51 C ATOM 1299 CE1 HIS A 84 5.393 -29.753 15.441 1.00 45.41 C ATOM 1300 NE2 HIS A 84 5.183 -28.463 15.247 1.00 32.20 N ATOM 0 H HIS A 84 9.422 -27.793 16.796 1.00 64.10 H new ATOM 0 HA HIS A 84 8.776 -28.370 19.458 1.00 43.13 H new ATOM 0 HB2 HIS A 84 6.498 -29.265 19.199 1.00 22.42 H new ATOM 0 HB3 HIS A 84 6.535 -27.532 18.943 1.00 22.42 H new ATOM 0 HD2 HIS A 84 5.645 -26.694 16.459 1.00 74.51 H new ATOM 0 HE1 HIS A 84 5.117 -30.547 14.763 1.00 45.41 H new ATOM 0 HE2 HIS A 84 4.732 -28.052 14.429 1.00 32.20 H new ATOM 1308 N SER A 85 8.933 -30.041 16.644 1.00 73.13 N ATOM 1309 CA SER A 85 9.360 -31.299 16.042 1.00 34.14 C ATOM 1310 C SER A 85 9.803 -31.088 14.598 1.00 50.00 C ATOM 1311 O SER A 85 9.675 -31.982 13.761 1.00 50.52 O ATOM 1312 CB SER A 85 8.226 -32.325 16.095 1.00 14.31 C ATOM 1313 OG SER A 85 8.658 -33.588 15.621 1.00 62.10 O ATOM 0 H SER A 85 8.720 -29.303 15.973 1.00 73.13 H new ATOM 0 HA SER A 85 10.209 -31.676 16.612 1.00 34.14 H new ATOM 0 HB2 SER A 85 7.866 -32.421 17.119 1.00 14.31 H new ATOM 0 HB3 SER A 85 7.387 -31.975 15.494 1.00 14.31 H new ATOM 0 HG SER A 85 9.101 -33.478 14.754 1.00 62.10 H new ATOM 1319 N ASP A 86 10.325 -29.900 14.314 1.00 55.23 N ATOM 1320 CA ASP A 86 10.788 -29.570 12.971 1.00 4.21 C ATOM 1321 C ASP A 86 12.032 -28.688 13.027 1.00 22.23 C ATOM 1322 O ASP A 86 12.960 -28.854 12.234 1.00 0.02 O ATOM 1323 CB ASP A 86 9.682 -28.863 12.186 1.00 64.34 C ATOM 1324 CG ASP A 86 8.865 -29.824 11.345 1.00 63.24 C ATOM 1325 OD1 ASP A 86 9.364 -30.258 10.285 1.00 43.43 O ATOM 1326 OD2 ASP A 86 7.727 -30.144 11.747 1.00 41.54 O ATOM 0 H ASP A 86 10.438 -29.150 14.995 1.00 55.23 H new ATOM 0 HA ASP A 86 11.045 -30.500 12.464 1.00 4.21 H new ATOM 0 HB2 ASP A 86 9.023 -28.342 12.881 1.00 64.34 H new ATOM 0 HB3 ASP A 86 10.126 -28.106 11.540 1.00 64.34 H new ATOM 1331 N LEU A 87 12.044 -27.751 13.968 1.00 4.42 N ATOM 1332 CA LEU A 87 13.174 -26.841 14.128 1.00 71.34 C ATOM 1333 C LEU A 87 14.493 -27.607 14.128 1.00 43.34 C ATOM 1334 O LEU A 87 15.433 -27.243 13.420 1.00 23.44 O ATOM 1335 CB LEU A 87 13.033 -26.045 15.426 1.00 44.41 C ATOM 1336 CG LEU A 87 12.605 -24.584 15.274 1.00 25.54 C ATOM 1337 CD1 LEU A 87 11.296 -24.489 14.506 1.00 4.13 C ATOM 1338 CD2 LEU A 87 12.475 -23.923 16.638 1.00 2.44 C ATOM 0 H LEU A 87 11.284 -27.601 14.632 1.00 4.42 H new ATOM 0 HA LEU A 87 13.176 -26.151 13.285 1.00 71.34 H new ATOM 0 HB2 LEU A 87 12.307 -26.551 16.062 1.00 44.41 H new ATOM 0 HB3 LEU A 87 13.988 -26.070 15.950 1.00 44.41 H new ATOM 0 HG LEU A 87 13.373 -24.056 14.708 1.00 25.54 H new ATOM 0 HD11 LEU A 87 11.007 -23.443 14.408 1.00 4.13 H new ATOM 0 HD12 LEU A 87 11.423 -24.925 13.515 1.00 4.13 H new ATOM 0 HD13 LEU A 87 10.518 -25.031 15.044 1.00 4.13 H new ATOM 0 HD21 LEU A 87 12.170 -22.884 16.511 1.00 2.44 H new ATOM 0 HD22 LEU A 87 11.727 -24.452 17.229 1.00 2.44 H new ATOM 0 HD23 LEU A 87 13.435 -23.959 17.153 1.00 2.44 H new ATOM 1350 N ASP A 88 14.555 -28.669 14.923 1.00 1.44 N ATOM 1351 CA ASP A 88 15.758 -29.488 15.013 1.00 2.10 C ATOM 1352 C ASP A 88 16.321 -29.780 13.626 1.00 63.03 C ATOM 1353 O ASP A 88 17.536 -29.783 13.426 1.00 34.20 O ATOM 1354 CB ASP A 88 15.455 -30.799 15.740 1.00 2.24 C ATOM 1355 CG ASP A 88 16.701 -31.442 16.318 1.00 12.30 C ATOM 1356 OD1 ASP A 88 17.499 -30.723 16.956 1.00 53.21 O ATOM 1357 OD2 ASP A 88 16.877 -32.664 16.133 1.00 45.20 O ATOM 0 H ASP A 88 13.786 -28.983 15.515 1.00 1.44 H new ATOM 0 HA ASP A 88 16.505 -28.932 15.579 1.00 2.10 H new ATOM 0 HB2 ASP A 88 14.742 -30.610 16.542 1.00 2.24 H new ATOM 0 HB3 ASP A 88 14.979 -31.493 15.048 1.00 2.24 H new ATOM 1362 N ALA A 89 15.430 -30.026 12.671 1.00 43.03 N ATOM 1363 CA ALA A 89 15.838 -30.318 11.302 1.00 23.33 C ATOM 1364 C ALA A 89 15.990 -29.037 10.489 1.00 25.22 C ATOM 1365 O ALA A 89 17.017 -28.816 9.847 1.00 30.54 O ATOM 1366 CB ALA A 89 14.834 -31.250 10.640 1.00 42.02 C ATOM 0 H ALA A 89 14.421 -30.029 12.820 1.00 43.03 H new ATOM 0 HA ALA A 89 16.809 -30.812 11.336 1.00 23.33 H new ATOM 0 HB1 ALA A 89 15.151 -31.460 9.618 1.00 42.02 H new ATOM 0 HB2 ALA A 89 14.778 -32.183 11.201 1.00 42.02 H new ATOM 0 HB3 ALA A 89 13.852 -30.776 10.625 1.00 42.02 H new ATOM 1372 N ALA A 90 14.962 -28.196 10.521 1.00 71.23 N ATOM 1373 CA ALA A 90 14.982 -26.937 9.788 1.00 43.44 C ATOM 1374 C ALA A 90 16.260 -26.155 10.075 1.00 70.15 C ATOM 1375 O ALA A 90 16.754 -25.418 9.221 1.00 14.32 O ATOM 1376 CB ALA A 90 13.760 -26.101 10.139 1.00 22.33 C ATOM 0 H ALA A 90 14.104 -28.364 11.047 1.00 71.23 H new ATOM 0 HA ALA A 90 14.958 -27.166 8.723 1.00 43.44 H new ATOM 0 HB1 ALA A 90 13.789 -25.163 9.584 1.00 22.33 H new ATOM 0 HB2 ALA A 90 12.856 -26.650 9.877 1.00 22.33 H new ATOM 0 HB3 ALA A 90 13.759 -25.889 11.208 1.00 22.33 H new ATOM 1382 N VAL A 91 16.791 -26.321 11.282 1.00 40.31 N ATOM 1383 CA VAL A 91 18.012 -25.631 11.681 1.00 12.12 C ATOM 1384 C VAL A 91 19.107 -25.801 10.634 1.00 12.11 C ATOM 1385 O VAL A 91 19.606 -24.822 10.078 1.00 32.54 O ATOM 1386 CB VAL A 91 18.529 -26.146 13.037 1.00 4.25 C ATOM 1387 CG1 VAL A 91 19.970 -25.711 13.260 1.00 51.34 C ATOM 1388 CG2 VAL A 91 17.636 -25.658 14.168 1.00 21.11 C ATOM 0 H VAL A 91 16.395 -26.927 12.000 1.00 40.31 H new ATOM 0 HA VAL A 91 17.763 -24.574 11.773 1.00 12.12 H new ATOM 0 HB VAL A 91 18.501 -27.236 13.026 1.00 4.25 H new ATOM 0 HG11 VAL A 91 20.318 -26.084 14.223 1.00 51.34 H new ATOM 0 HG12 VAL A 91 20.599 -26.114 12.466 1.00 51.34 H new ATOM 0 HG13 VAL A 91 20.027 -24.623 13.251 1.00 51.34 H new ATOM 0 HG21 VAL A 91 18.016 -26.031 15.119 1.00 21.11 H new ATOM 0 HG22 VAL A 91 17.630 -24.568 14.182 1.00 21.11 H new ATOM 0 HG23 VAL A 91 16.621 -26.024 14.014 1.00 21.11 H new ATOM 1398 N SER A 92 19.476 -27.050 10.369 1.00 32.12 N ATOM 1399 CA SER A 92 20.515 -27.349 9.390 1.00 14.05 C ATOM 1400 C SER A 92 19.925 -27.456 7.988 1.00 74.14 C ATOM 1401 O SER A 92 20.508 -26.972 7.018 1.00 25.53 O ATOM 1402 CB SER A 92 21.230 -28.651 9.756 1.00 31.01 C ATOM 1403 OG SER A 92 22.625 -28.446 9.892 1.00 44.51 O ATOM 0 H SER A 92 19.071 -27.871 10.818 1.00 32.12 H new ATOM 0 HA SER A 92 21.236 -26.532 9.400 1.00 14.05 H new ATOM 0 HB2 SER A 92 20.824 -29.042 10.689 1.00 31.01 H new ATOM 0 HB3 SER A 92 21.043 -29.401 8.987 1.00 31.01 H new ATOM 0 HG SER A 92 23.059 -29.293 10.128 1.00 44.51 H new ATOM 1409 N ALA A 93 18.763 -28.094 7.888 1.00 11.22 N ATOM 1410 CA ALA A 93 18.092 -28.264 6.605 1.00 12.55 C ATOM 1411 C ALA A 93 17.731 -26.915 5.992 1.00 45.12 C ATOM 1412 O ALA A 93 18.220 -26.560 4.919 1.00 51.32 O ATOM 1413 CB ALA A 93 16.845 -29.120 6.771 1.00 23.22 C ATOM 0 H ALA A 93 18.267 -28.502 8.681 1.00 11.22 H new ATOM 0 HA ALA A 93 18.780 -28.770 5.927 1.00 12.55 H new ATOM 0 HB1 ALA A 93 16.354 -29.239 5.805 1.00 23.22 H new ATOM 0 HB2 ALA A 93 17.125 -30.100 7.159 1.00 23.22 H new ATOM 0 HB3 ALA A 93 16.161 -28.636 7.468 1.00 23.22 H new ATOM 1419 N TYR A 94 16.874 -26.168 6.678 1.00 31.14 N ATOM 1420 CA TYR A 94 16.446 -24.859 6.199 1.00 73.42 C ATOM 1421 C TYR A 94 17.644 -23.942 5.976 1.00 41.00 C ATOM 1422 O TYR A 94 17.551 -22.945 5.261 1.00 13.42 O ATOM 1423 CB TYR A 94 15.478 -24.219 7.195 1.00 33.54 C ATOM 1424 CG TYR A 94 14.503 -23.255 6.559 1.00 74.35 C ATOM 1425 CD1 TYR A 94 13.848 -23.578 5.376 1.00 22.40 C ATOM 1426 CD2 TYR A 94 14.236 -22.021 7.138 1.00 23.23 C ATOM 1427 CE1 TYR A 94 12.957 -22.700 4.790 1.00 70.50 C ATOM 1428 CE2 TYR A 94 13.346 -21.138 6.560 1.00 15.32 C ATOM 1429 CZ TYR A 94 12.709 -21.482 5.386 1.00 14.31 C ATOM 1430 OH TYR A 94 11.822 -20.604 4.806 1.00 13.33 O ATOM 0 H TYR A 94 16.462 -26.447 7.568 1.00 31.14 H new ATOM 0 HA TYR A 94 15.936 -24.999 5.246 1.00 73.42 H new ATOM 0 HB2 TYR A 94 14.919 -25.006 7.702 1.00 33.54 H new ATOM 0 HB3 TYR A 94 16.051 -23.692 7.958 1.00 33.54 H new ATOM 0 HD1 TYR A 94 14.039 -24.532 4.907 1.00 22.40 H new ATOM 0 HD2 TYR A 94 14.734 -21.747 8.057 1.00 23.23 H new ATOM 0 HE1 TYR A 94 12.458 -22.966 3.870 1.00 70.50 H new ATOM 0 HE2 TYR A 94 13.150 -20.183 7.025 1.00 15.32 H new ATOM 0 HH TYR A 94 12.225 -19.712 4.764 1.00 13.33 H new ATOM 1440 N GLN A 95 18.769 -24.288 6.593 1.00 21.42 N ATOM 1441 CA GLN A 95 19.986 -23.497 6.463 1.00 44.53 C ATOM 1442 C GLN A 95 20.566 -23.617 5.057 1.00 22.13 C ATOM 1443 O GLN A 95 21.626 -23.064 4.764 1.00 21.52 O ATOM 1444 CB GLN A 95 21.023 -23.943 7.495 1.00 3.30 C ATOM 1445 CG GLN A 95 21.196 -22.965 8.646 1.00 50.41 C ATOM 1446 CD GLN A 95 22.015 -21.748 8.260 1.00 32.53 C ATOM 1447 OE1 GLN A 95 22.279 -21.512 7.081 1.00 23.22 O ATOM 1448 NE2 GLN A 95 22.421 -20.968 9.255 1.00 22.52 N ATOM 0 H GLN A 95 18.863 -25.111 7.188 1.00 21.42 H new ATOM 0 HA GLN A 95 19.731 -22.453 6.643 1.00 44.53 H new ATOM 0 HB2 GLN A 95 20.731 -24.914 7.895 1.00 3.30 H new ATOM 0 HB3 GLN A 95 21.983 -24.079 6.997 1.00 3.30 H new ATOM 0 HG2 GLN A 95 20.215 -22.642 8.994 1.00 50.41 H new ATOM 0 HG3 GLN A 95 21.679 -23.474 9.480 1.00 50.41 H new ATOM 0 HE21 GLN A 95 22.179 -21.202 10.218 1.00 22.52 H new ATOM 0 HE22 GLN A 95 22.975 -20.135 9.056 1.00 22.52 H new ATOM 1457 N GLN A 96 19.864 -24.343 4.193 1.00 3.01 N ATOM 1458 CA GLN A 96 20.311 -24.536 2.819 1.00 71.44 C ATOM 1459 C GLN A 96 20.145 -23.256 2.007 1.00 52.00 C ATOM 1460 O GLN A 96 20.069 -23.292 0.780 1.00 64.54 O ATOM 1461 CB GLN A 96 19.530 -25.676 2.162 1.00 54.32 C ATOM 1462 CG GLN A 96 20.122 -27.051 2.425 1.00 44.45 C ATOM 1463 CD GLN A 96 20.078 -27.948 1.204 1.00 62.23 C ATOM 1464 OE1 GLN A 96 19.490 -29.030 1.235 1.00 40.42 O ATOM 1465 NE2 GLN A 96 20.702 -27.504 0.119 1.00 52.32 N ATOM 0 H GLN A 96 18.984 -24.807 4.420 1.00 3.01 H new ATOM 0 HA GLN A 96 21.369 -24.795 2.841 1.00 71.44 H new ATOM 0 HB2 GLN A 96 18.502 -25.657 2.524 1.00 54.32 H new ATOM 0 HB3 GLN A 96 19.492 -25.506 1.086 1.00 54.32 H new ATOM 0 HG2 GLN A 96 21.156 -26.941 2.753 1.00 44.45 H new ATOM 0 HG3 GLN A 96 19.578 -27.527 3.241 1.00 44.45 H new ATOM 0 HE21 GLN A 96 21.177 -26.601 0.137 1.00 52.32 H new ATOM 0 HE22 GLN A 96 20.706 -28.066 -0.732 1.00 52.32 H new ATOM 1474 N GLY A 97 20.088 -22.124 2.702 1.00 51.42 N ATOM 1475 CA GLY A 97 19.931 -20.848 2.029 1.00 55.51 C ATOM 1476 C GLY A 97 18.558 -20.242 2.248 1.00 61.25 C ATOM 1477 O GLY A 97 18.022 -19.568 1.368 1.00 24.32 O ATOM 0 H GLY A 97 20.148 -22.068 3.719 1.00 51.42 H new ATOM 0 HA2 GLY A 97 20.692 -20.155 2.388 1.00 55.51 H new ATOM 0 HA3 GLY A 97 20.100 -20.981 0.960 1.00 55.51 H new ATOM 1481 N ALA A 98 17.987 -20.484 3.423 1.00 71.11 N ATOM 1482 CA ALA A 98 16.669 -19.958 3.754 1.00 13.43 C ATOM 1483 C ALA A 98 16.772 -18.801 4.742 1.00 2.43 C ATOM 1484 O ALA A 98 17.861 -18.467 5.211 1.00 13.20 O ATOM 1485 CB ALA A 98 15.787 -21.061 4.321 1.00 50.42 C ATOM 0 H ALA A 98 18.417 -21.041 4.162 1.00 71.11 H new ATOM 0 HA ALA A 98 16.216 -19.580 2.838 1.00 13.43 H new ATOM 0 HB1 ALA A 98 14.806 -20.653 4.564 1.00 50.42 H new ATOM 0 HB2 ALA A 98 15.678 -21.855 3.582 1.00 50.42 H new ATOM 0 HB3 ALA A 98 16.245 -21.465 5.224 1.00 50.42 H new ATOM 1491 N PHE A 99 15.633 -18.191 5.054 1.00 21.54 N ATOM 1492 CA PHE A 99 15.596 -17.070 5.986 1.00 61.12 C ATOM 1493 C PHE A 99 15.235 -17.542 7.391 1.00 22.03 C ATOM 1494 O PHE A 99 14.545 -18.547 7.562 1.00 13.11 O ATOM 1495 CB PHE A 99 14.588 -16.020 5.514 1.00 60.45 C ATOM 1496 CG PHE A 99 14.246 -15.003 6.564 1.00 55.10 C ATOM 1497 CD1 PHE A 99 15.088 -13.931 6.810 1.00 51.45 C ATOM 1498 CD2 PHE A 99 13.081 -15.119 7.306 1.00 23.12 C ATOM 1499 CE1 PHE A 99 14.776 -12.992 7.775 1.00 35.32 C ATOM 1500 CE2 PHE A 99 12.763 -14.184 8.273 1.00 45.32 C ATOM 1501 CZ PHE A 99 13.612 -13.120 8.508 1.00 2.25 C ATOM 0 H PHE A 99 14.723 -18.454 4.675 1.00 21.54 H new ATOM 0 HA PHE A 99 16.589 -16.623 6.016 1.00 61.12 H new ATOM 0 HB2 PHE A 99 14.992 -15.507 4.641 1.00 60.45 H new ATOM 0 HB3 PHE A 99 13.675 -16.522 5.195 1.00 60.45 H new ATOM 0 HD1 PHE A 99 16.000 -13.828 6.241 1.00 51.45 H new ATOM 0 HD2 PHE A 99 12.414 -15.949 7.127 1.00 23.12 H new ATOM 0 HE1 PHE A 99 15.441 -12.160 7.956 1.00 35.32 H new ATOM 0 HE2 PHE A 99 11.852 -14.285 8.844 1.00 45.32 H new ATOM 0 HZ PHE A 99 13.366 -12.389 9.264 1.00 2.25 H new ATOM 1511 N ASP A 100 15.708 -16.810 8.394 1.00 32.11 N ATOM 1512 CA ASP A 100 15.435 -17.152 9.785 1.00 23.42 C ATOM 1513 C ASP A 100 13.958 -17.475 9.986 1.00 31.20 C ATOM 1514 O ASP A 100 13.093 -16.620 9.792 1.00 63.31 O ATOM 1515 CB ASP A 100 15.849 -16.003 10.706 1.00 73.21 C ATOM 1516 CG ASP A 100 15.815 -16.394 12.170 1.00 13.44 C ATOM 1517 OD1 ASP A 100 16.424 -17.425 12.523 1.00 2.44 O ATOM 1518 OD2 ASP A 100 15.178 -15.669 12.963 1.00 13.24 O ATOM 0 H ASP A 100 16.282 -15.976 8.270 1.00 32.11 H new ATOM 0 HA ASP A 100 16.019 -18.037 10.037 1.00 23.42 H new ATOM 0 HB2 ASP A 100 16.855 -15.675 10.444 1.00 73.21 H new ATOM 0 HB3 ASP A 100 15.185 -15.154 10.544 1.00 73.21 H new ATOM 1523 N TYR A 101 13.676 -18.714 10.375 1.00 51.34 N ATOM 1524 CA TYR A 101 12.303 -19.151 10.598 1.00 11.31 C ATOM 1525 C TYR A 101 11.755 -18.580 11.902 1.00 0.45 C ATOM 1526 O TYR A 101 12.497 -18.014 12.707 1.00 51.34 O ATOM 1527 CB TYR A 101 12.230 -20.678 10.627 1.00 71.32 C ATOM 1528 CG TYR A 101 13.321 -21.321 11.452 1.00 24.32 C ATOM 1529 CD1 TYR A 101 13.446 -21.047 12.809 1.00 60.42 C ATOM 1530 CD2 TYR A 101 14.229 -22.202 10.876 1.00 54.43 C ATOM 1531 CE1 TYR A 101 14.442 -21.632 13.567 1.00 41.11 C ATOM 1532 CE2 TYR A 101 15.227 -22.792 11.626 1.00 12.24 C ATOM 1533 CZ TYR A 101 15.330 -22.504 12.971 1.00 14.33 C ATOM 1534 OH TYR A 101 16.323 -23.089 13.722 1.00 5.42 O ATOM 0 H TYR A 101 14.380 -19.433 10.542 1.00 51.34 H new ATOM 0 HA TYR A 101 11.692 -18.780 9.775 1.00 11.31 H new ATOM 0 HB2 TYR A 101 11.261 -20.979 11.024 1.00 71.32 H new ATOM 0 HB3 TYR A 101 12.288 -21.056 9.606 1.00 71.32 H new ATOM 0 HD1 TYR A 101 12.753 -20.365 13.279 1.00 60.42 H new ATOM 0 HD2 TYR A 101 14.152 -22.429 9.823 1.00 54.43 H new ATOM 0 HE1 TYR A 101 14.525 -21.408 14.620 1.00 41.11 H new ATOM 0 HE2 TYR A 101 15.923 -23.475 11.162 1.00 12.24 H new ATOM 0 HH TYR A 101 16.016 -23.193 14.647 1.00 5.42 H new ATOM 1544 N LEU A 102 10.451 -18.733 12.106 1.00 43.41 N ATOM 1545 CA LEU A 102 9.801 -18.233 13.313 1.00 65.51 C ATOM 1546 C LEU A 102 8.945 -19.318 13.958 1.00 13.12 C ATOM 1547 O LEU A 102 8.128 -19.968 13.306 1.00 72.31 O ATOM 1548 CB LEU A 102 8.939 -17.014 12.984 1.00 35.01 C ATOM 1549 CG LEU A 102 7.661 -16.854 13.809 1.00 51.21 C ATOM 1550 CD1 LEU A 102 7.985 -16.323 15.197 1.00 73.40 C ATOM 1551 CD2 LEU A 102 6.680 -15.932 13.099 1.00 10.02 C ATOM 0 H LEU A 102 9.823 -19.199 11.451 1.00 43.41 H new ATOM 0 HA LEU A 102 10.577 -17.940 14.020 1.00 65.51 H new ATOM 0 HB2 LEU A 102 9.546 -16.118 13.114 1.00 35.01 H new ATOM 0 HB3 LEU A 102 8.664 -17.062 11.930 1.00 35.01 H new ATOM 0 HG LEU A 102 7.195 -17.834 13.917 1.00 51.21 H new ATOM 0 HD11 LEU A 102 7.064 -16.216 15.770 1.00 73.40 H new ATOM 0 HD12 LEU A 102 8.650 -17.020 15.707 1.00 73.40 H new ATOM 0 HD13 LEU A 102 8.474 -15.353 15.110 1.00 73.40 H new ATOM 0 HD21 LEU A 102 5.777 -15.830 13.700 1.00 10.02 H new ATOM 0 HD22 LEU A 102 7.137 -14.952 12.961 1.00 10.02 H new ATOM 0 HD23 LEU A 102 6.423 -16.353 12.127 1.00 10.02 H new ATOM 1563 N PRO A 103 9.132 -19.517 15.271 1.00 22.43 N ATOM 1564 CA PRO A 103 8.384 -20.521 16.034 1.00 13.54 C ATOM 1565 C PRO A 103 6.915 -20.145 16.202 1.00 43.15 C ATOM 1566 O PRO A 103 6.554 -18.970 16.142 1.00 55.50 O ATOM 1567 CB PRO A 103 9.090 -20.533 17.392 1.00 23.12 C ATOM 1568 CG PRO A 103 9.709 -19.183 17.510 1.00 61.12 C ATOM 1569 CD PRO A 103 10.089 -18.779 16.112 1.00 0.42 C ATOM 0 HA PRO A 103 8.375 -21.489 15.534 1.00 13.54 H new ATOM 0 HB2 PRO A 103 8.385 -20.717 18.203 1.00 23.12 H new ATOM 0 HB3 PRO A 103 9.843 -21.319 17.439 1.00 23.12 H new ATOM 0 HG2 PRO A 103 9.010 -18.470 17.946 1.00 61.12 H new ATOM 0 HG3 PRO A 103 10.584 -19.210 18.160 1.00 61.12 H new ATOM 0 HD2 PRO A 103 10.003 -17.702 15.968 1.00 0.42 H new ATOM 0 HD3 PRO A 103 11.119 -19.050 15.881 1.00 0.42 H new ATOM 1577 N LYS A 104 6.072 -21.150 16.411 1.00 24.35 N ATOM 1578 CA LYS A 104 4.643 -20.926 16.589 1.00 34.32 C ATOM 1579 C LYS A 104 4.146 -21.577 17.876 1.00 11.14 C ATOM 1580 O LYS A 104 4.591 -22.657 18.266 1.00 14.32 O ATOM 1581 CB LYS A 104 3.866 -21.480 15.393 1.00 60.34 C ATOM 1582 CG LYS A 104 3.782 -22.997 15.371 1.00 13.35 C ATOM 1583 CD LYS A 104 2.504 -23.493 16.027 1.00 72.34 C ATOM 1584 CE LYS A 104 1.654 -24.296 15.053 1.00 11.33 C ATOM 1585 NZ LYS A 104 2.397 -25.460 14.497 1.00 22.25 N ATOM 0 H LYS A 104 6.354 -22.129 16.461 1.00 24.35 H new ATOM 0 HA LYS A 104 4.475 -19.851 16.658 1.00 34.32 H new ATOM 0 HB2 LYS A 104 2.857 -21.069 15.404 1.00 60.34 H new ATOM 0 HB3 LYS A 104 4.339 -21.137 14.473 1.00 60.34 H new ATOM 0 HG2 LYS A 104 3.824 -23.350 14.341 1.00 13.35 H new ATOM 0 HG3 LYS A 104 4.645 -23.418 15.888 1.00 13.35 H new ATOM 0 HD2 LYS A 104 2.753 -24.111 16.890 1.00 72.34 H new ATOM 0 HD3 LYS A 104 1.930 -22.644 16.398 1.00 72.34 H new ATOM 0 HE2 LYS A 104 0.755 -24.647 15.560 1.00 11.33 H new ATOM 0 HE3 LYS A 104 1.328 -23.650 14.238 1.00 11.33 H new ATOM 0 HZ1 LYS A 104 2.632 -25.278 13.500 1.00 22.25 H new ATOM 0 HZ2 LYS A 104 3.273 -25.604 15.039 1.00 22.25 H new ATOM 0 HZ3 LYS A 104 1.806 -26.313 14.563 1.00 22.25 H new ATOM 1599 N PRO A 105 3.201 -20.907 18.553 1.00 72.05 N ATOM 1600 CA PRO A 105 2.664 -19.621 18.099 1.00 43.45 C ATOM 1601 C PRO A 105 3.685 -18.493 18.215 1.00 73.55 C ATOM 1602 O PRO A 105 4.821 -18.712 18.635 1.00 61.20 O ATOM 1603 CB PRO A 105 1.486 -19.374 19.044 1.00 72.42 C ATOM 1604 CG PRO A 105 1.821 -20.143 20.275 1.00 33.21 C ATOM 1605 CD PRO A 105 2.584 -21.354 19.813 1.00 53.43 C ATOM 0 HA PRO A 105 2.385 -19.645 17.046 1.00 43.45 H new ATOM 0 HB2 PRO A 105 1.368 -18.312 19.260 1.00 72.42 H new ATOM 0 HB3 PRO A 105 0.548 -19.716 18.606 1.00 72.42 H new ATOM 0 HG2 PRO A 105 2.420 -19.542 20.959 1.00 33.21 H new ATOM 0 HG3 PRO A 105 0.918 -20.432 20.812 1.00 33.21 H new ATOM 0 HD2 PRO A 105 3.335 -21.659 20.542 1.00 53.43 H new ATOM 0 HD3 PRO A 105 1.926 -22.209 19.657 1.00 53.43 H new ATOM 1613 N PHE A 106 3.272 -17.287 17.840 1.00 62.24 N ATOM 1614 CA PHE A 106 4.151 -16.125 17.901 1.00 22.23 C ATOM 1615 C PHE A 106 3.342 -14.836 18.010 1.00 72.24 C ATOM 1616 O PHE A 106 2.111 -14.858 17.974 1.00 24.20 O ATOM 1617 CB PHE A 106 5.051 -16.074 16.665 1.00 52.53 C ATOM 1618 CG PHE A 106 4.292 -16.116 15.369 1.00 21.12 C ATOM 1619 CD1 PHE A 106 3.635 -14.991 14.898 1.00 3.44 C ATOM 1620 CD2 PHE A 106 4.235 -17.282 14.622 1.00 1.15 C ATOM 1621 CE1 PHE A 106 2.936 -15.026 13.706 1.00 25.24 C ATOM 1622 CE2 PHE A 106 3.538 -17.323 13.430 1.00 63.34 C ATOM 1623 CZ PHE A 106 2.887 -16.195 12.972 1.00 41.44 C ATOM 0 H PHE A 106 2.334 -17.089 17.491 1.00 62.24 H new ATOM 0 HA PHE A 106 4.774 -16.218 18.791 1.00 22.23 H new ATOM 0 HB2 PHE A 106 5.648 -15.163 16.698 1.00 52.53 H new ATOM 0 HB3 PHE A 106 5.747 -16.913 16.697 1.00 52.53 H new ATOM 0 HD1 PHE A 106 3.669 -14.075 15.469 1.00 3.44 H new ATOM 0 HD2 PHE A 106 4.741 -18.168 14.976 1.00 1.15 H new ATOM 0 HE1 PHE A 106 2.429 -14.141 13.349 1.00 25.24 H new ATOM 0 HE2 PHE A 106 3.502 -18.237 12.856 1.00 63.34 H new ATOM 0 HZ PHE A 106 2.340 -16.227 12.041 1.00 41.44 H new ATOM 1633 N ASP A 107 4.042 -13.715 18.142 1.00 13.13 N ATOM 1634 CA ASP A 107 3.390 -12.415 18.255 1.00 34.45 C ATOM 1635 C ASP A 107 3.305 -11.730 16.895 1.00 0.44 C ATOM 1636 O ASP A 107 4.325 -11.376 16.304 1.00 42.54 O ATOM 1637 CB ASP A 107 4.146 -11.526 19.243 1.00 0.41 C ATOM 1638 CG ASP A 107 4.251 -12.149 20.621 1.00 60.10 C ATOM 1639 OD1 ASP A 107 4.878 -13.223 20.740 1.00 54.42 O ATOM 1640 OD2 ASP A 107 3.706 -11.564 21.580 1.00 31.15 O ATOM 0 H ASP A 107 5.061 -13.680 18.173 1.00 13.13 H new ATOM 0 HA ASP A 107 2.377 -12.574 18.624 1.00 34.45 H new ATOM 0 HB2 ASP A 107 5.147 -11.331 18.859 1.00 0.41 H new ATOM 0 HB3 ASP A 107 3.641 -10.563 19.321 1.00 0.41 H new ATOM 1645 N ILE A 108 2.084 -11.547 16.406 1.00 55.42 N ATOM 1646 CA ILE A 108 1.867 -10.904 15.116 1.00 54.52 C ATOM 1647 C ILE A 108 2.686 -9.623 14.995 1.00 32.03 C ATOM 1648 O ILE A 108 3.106 -9.243 13.902 1.00 34.11 O ATOM 1649 CB ILE A 108 0.379 -10.571 14.896 1.00 40.42 C ATOM 1650 CG1 ILE A 108 -0.410 -11.844 14.584 1.00 13.32 C ATOM 1651 CG2 ILE A 108 0.224 -9.556 13.773 1.00 72.34 C ATOM 1652 CD1 ILE A 108 -1.860 -11.776 15.012 1.00 43.13 C ATOM 0 H ILE A 108 1.230 -11.835 16.883 1.00 55.42 H new ATOM 0 HA ILE A 108 2.189 -11.612 14.353 1.00 54.52 H new ATOM 0 HB ILE A 108 -0.020 -10.134 15.812 1.00 40.42 H new ATOM 0 HG12 ILE A 108 -0.365 -12.037 13.512 1.00 13.32 H new ATOM 0 HG13 ILE A 108 0.068 -12.689 15.080 1.00 13.32 H new ATOM 0 HG21 ILE A 108 -0.833 -9.331 13.629 1.00 72.34 H new ATOM 0 HG22 ILE A 108 0.758 -8.642 14.033 1.00 72.34 H new ATOM 0 HG23 ILE A 108 0.636 -9.967 12.851 1.00 72.34 H new ATOM 0 HD11 ILE A 108 -2.358 -12.712 14.760 1.00 43.13 H new ATOM 0 HD12 ILE A 108 -1.914 -11.615 16.089 1.00 43.13 H new ATOM 0 HD13 ILE A 108 -2.353 -10.952 14.496 1.00 43.13 H new ATOM 1664 N ASP A 109 2.911 -8.963 16.126 1.00 51.22 N ATOM 1665 CA ASP A 109 3.683 -7.726 16.148 1.00 11.22 C ATOM 1666 C ASP A 109 5.080 -7.947 15.578 1.00 25.11 C ATOM 1667 O ASP A 109 5.600 -7.110 14.841 1.00 54.21 O ATOM 1668 CB ASP A 109 3.781 -7.186 17.576 1.00 75.21 C ATOM 1669 CG ASP A 109 2.465 -6.620 18.072 1.00 13.11 C ATOM 1670 OD1 ASP A 109 2.183 -5.436 17.789 1.00 25.23 O ATOM 1671 OD2 ASP A 109 1.716 -7.361 18.742 1.00 14.54 O ATOM 0 H ASP A 109 2.570 -9.264 17.039 1.00 51.22 H new ATOM 0 HA ASP A 109 3.168 -6.994 15.526 1.00 11.22 H new ATOM 0 HB2 ASP A 109 4.103 -7.986 18.243 1.00 75.21 H new ATOM 0 HB3 ASP A 109 4.545 -6.410 17.616 1.00 75.21 H new ATOM 1676 N GLU A 110 5.684 -9.080 15.926 1.00 14.40 N ATOM 1677 CA GLU A 110 7.022 -9.409 15.450 1.00 71.01 C ATOM 1678 C GLU A 110 6.969 -9.999 14.043 1.00 2.54 C ATOM 1679 O GLU A 110 7.873 -9.786 13.236 1.00 50.03 O ATOM 1680 CB GLU A 110 7.698 -10.396 16.404 1.00 71.34 C ATOM 1681 CG GLU A 110 9.203 -10.215 16.501 1.00 44.21 C ATOM 1682 CD GLU A 110 9.647 -9.750 17.874 1.00 24.44 C ATOM 1683 OE1 GLU A 110 9.703 -10.592 18.795 1.00 24.32 O ATOM 1684 OE2 GLU A 110 9.939 -8.546 18.029 1.00 54.04 O ATOM 0 H GLU A 110 5.268 -9.784 16.535 1.00 14.40 H new ATOM 0 HA GLU A 110 7.605 -8.489 15.418 1.00 71.01 H new ATOM 0 HB2 GLU A 110 7.262 -10.285 17.397 1.00 71.34 H new ATOM 0 HB3 GLU A 110 7.483 -11.412 16.074 1.00 71.34 H new ATOM 0 HG2 GLU A 110 9.695 -11.159 16.264 1.00 44.21 H new ATOM 0 HG3 GLU A 110 9.527 -9.491 15.754 1.00 44.21 H new ATOM 1691 N ALA A 111 5.904 -10.741 13.759 1.00 42.22 N ATOM 1692 CA ALA A 111 5.732 -11.360 12.451 1.00 61.14 C ATOM 1693 C ALA A 111 5.576 -10.305 11.360 1.00 32.53 C ATOM 1694 O ALA A 111 6.281 -10.332 10.351 1.00 13.13 O ATOM 1695 CB ALA A 111 4.530 -12.292 12.462 1.00 32.41 C ATOM 0 H ALA A 111 5.148 -10.928 14.417 1.00 42.22 H new ATOM 0 HA ALA A 111 6.627 -11.942 12.232 1.00 61.14 H new ATOM 0 HB1 ALA A 111 4.414 -12.747 11.479 1.00 32.41 H new ATOM 0 HB2 ALA A 111 4.682 -13.073 13.208 1.00 32.41 H new ATOM 0 HB3 ALA A 111 3.632 -11.725 12.708 1.00 32.41 H new ATOM 1701 N VAL A 112 4.647 -9.378 11.569 1.00 11.24 N ATOM 1702 CA VAL A 112 4.398 -8.314 10.604 1.00 3.32 C ATOM 1703 C VAL A 112 5.690 -7.590 10.239 1.00 34.21 C ATOM 1704 O VAL A 112 5.876 -7.169 9.098 1.00 72.42 O ATOM 1705 CB VAL A 112 3.385 -7.289 11.147 1.00 34.02 C ATOM 1706 CG1 VAL A 112 3.420 -6.013 10.320 1.00 2.25 C ATOM 1707 CG2 VAL A 112 1.984 -7.884 11.165 1.00 5.52 C ATOM 0 H VAL A 112 4.054 -9.342 12.398 1.00 11.24 H new ATOM 0 HA VAL A 112 3.984 -8.786 9.713 1.00 3.32 H new ATOM 0 HB VAL A 112 3.662 -7.037 12.171 1.00 34.02 H new ATOM 0 HG11 VAL A 112 2.698 -5.301 10.719 1.00 2.25 H new ATOM 0 HG12 VAL A 112 4.419 -5.579 10.363 1.00 2.25 H new ATOM 0 HG13 VAL A 112 3.169 -6.243 9.285 1.00 2.25 H new ATOM 0 HG21 VAL A 112 1.280 -7.147 11.551 1.00 5.52 H new ATOM 0 HG22 VAL A 112 1.695 -8.165 10.152 1.00 5.52 H new ATOM 0 HG23 VAL A 112 1.972 -8.767 11.804 1.00 5.52 H new ATOM 1717 N ALA A 113 6.579 -7.450 11.216 1.00 3.43 N ATOM 1718 CA ALA A 113 7.855 -6.779 10.997 1.00 31.34 C ATOM 1719 C ALA A 113 8.890 -7.742 10.426 1.00 60.05 C ATOM 1720 O ALA A 113 9.851 -7.324 9.778 1.00 73.03 O ATOM 1721 CB ALA A 113 8.360 -6.169 12.296 1.00 0.33 C ATOM 0 H ALA A 113 6.440 -7.792 12.167 1.00 3.43 H new ATOM 0 HA ALA A 113 7.698 -5.982 10.270 1.00 31.34 H new ATOM 0 HB1 ALA A 113 9.313 -5.671 12.118 1.00 0.33 H new ATOM 0 HB2 ALA A 113 7.635 -5.443 12.663 1.00 0.33 H new ATOM 0 HB3 ALA A 113 8.494 -6.955 13.039 1.00 0.33 H new ATOM 1727 N LEU A 114 8.689 -9.032 10.669 1.00 21.33 N ATOM 1728 CA LEU A 114 9.606 -10.055 10.179 1.00 60.52 C ATOM 1729 C LEU A 114 9.536 -10.166 8.659 1.00 31.21 C ATOM 1730 O LEU A 114 10.560 -10.291 7.987 1.00 10.32 O ATOM 1731 CB LEU A 114 9.280 -11.408 10.816 1.00 45.34 C ATOM 1732 CG LEU A 114 10.154 -12.584 10.378 1.00 43.43 C ATOM 1733 CD1 LEU A 114 11.518 -12.513 11.046 1.00 23.25 C ATOM 1734 CD2 LEU A 114 9.469 -13.905 10.696 1.00 5.44 C ATOM 0 H LEU A 114 7.899 -9.395 11.203 1.00 21.33 H new ATOM 0 HA LEU A 114 10.619 -9.764 10.458 1.00 60.52 H new ATOM 0 HB2 LEU A 114 9.359 -11.306 11.898 1.00 45.34 H new ATOM 0 HB3 LEU A 114 8.241 -11.651 10.594 1.00 45.34 H new ATOM 0 HG LEU A 114 10.298 -12.523 9.299 1.00 43.43 H new ATOM 0 HD11 LEU A 114 12.126 -13.358 10.722 1.00 23.25 H new ATOM 0 HD12 LEU A 114 12.012 -11.582 10.767 1.00 23.25 H new ATOM 0 HD13 LEU A 114 11.395 -12.548 12.129 1.00 23.25 H new ATOM 0 HD21 LEU A 114 10.105 -14.731 10.377 1.00 5.44 H new ATOM 0 HD22 LEU A 114 9.294 -13.975 11.770 1.00 5.44 H new ATOM 0 HD23 LEU A 114 8.516 -13.957 10.169 1.00 5.44 H new ATOM 1746 N VAL A 115 8.321 -10.118 8.123 1.00 54.22 N ATOM 1747 CA VAL A 115 8.117 -10.209 6.682 1.00 34.20 C ATOM 1748 C VAL A 115 8.681 -8.986 5.968 1.00 22.13 C ATOM 1749 O VAL A 115 9.257 -9.098 4.886 1.00 13.25 O ATOM 1750 CB VAL A 115 6.623 -10.349 6.334 1.00 15.54 C ATOM 1751 CG1 VAL A 115 5.825 -9.203 6.938 1.00 53.55 C ATOM 1752 CG2 VAL A 115 6.430 -10.408 4.827 1.00 40.44 C ATOM 0 H VAL A 115 7.463 -10.017 8.665 1.00 54.22 H new ATOM 0 HA VAL A 115 8.646 -11.100 6.344 1.00 34.20 H new ATOM 0 HB VAL A 115 6.254 -11.282 6.761 1.00 15.54 H new ATOM 0 HG11 VAL A 115 4.772 -9.318 6.682 1.00 53.55 H new ATOM 0 HG12 VAL A 115 5.938 -9.213 8.022 1.00 53.55 H new ATOM 0 HG13 VAL A 115 6.193 -8.256 6.543 1.00 53.55 H new ATOM 0 HG21 VAL A 115 5.369 -10.507 4.600 1.00 40.44 H new ATOM 0 HG22 VAL A 115 6.814 -9.494 4.375 1.00 40.44 H new ATOM 0 HG23 VAL A 115 6.969 -11.266 4.425 1.00 40.44 H new ATOM 1762 N GLU A 116 8.513 -7.819 6.582 1.00 33.13 N ATOM 1763 CA GLU A 116 9.006 -6.574 6.004 1.00 31.55 C ATOM 1764 C GLU A 116 10.522 -6.616 5.837 1.00 41.40 C ATOM 1765 O GLU A 116 11.083 -5.916 4.994 1.00 42.13 O ATOM 1766 CB GLU A 116 8.611 -5.386 6.884 1.00 20.30 C ATOM 1767 CG GLU A 116 7.353 -4.674 6.416 1.00 44.34 C ATOM 1768 CD GLU A 116 6.966 -3.520 7.320 1.00 55.11 C ATOM 1769 OE1 GLU A 116 7.874 -2.797 7.781 1.00 32.32 O ATOM 1770 OE2 GLU A 116 5.755 -3.340 7.567 1.00 52.35 O ATOM 0 H GLU A 116 8.040 -7.710 7.479 1.00 33.13 H new ATOM 0 HA GLU A 116 8.552 -6.454 5.020 1.00 31.55 H new ATOM 0 HB2 GLU A 116 8.462 -5.735 7.906 1.00 20.30 H new ATOM 0 HB3 GLU A 116 9.435 -4.673 6.908 1.00 20.30 H new ATOM 0 HG2 GLU A 116 7.506 -4.302 5.403 1.00 44.34 H new ATOM 0 HG3 GLU A 116 6.531 -5.388 6.372 1.00 44.34 H new ATOM 1777 N ARG A 117 11.179 -7.440 6.647 1.00 52.13 N ATOM 1778 CA ARG A 117 12.630 -7.572 6.590 1.00 14.50 C ATOM 1779 C ARG A 117 13.058 -8.334 5.340 1.00 70.04 C ATOM 1780 O ARG A 117 14.156 -8.131 4.822 1.00 12.42 O ATOM 1781 CB ARG A 117 13.147 -8.287 7.839 1.00 23.21 C ATOM 1782 CG ARG A 117 14.578 -8.783 7.708 1.00 2.31 C ATOM 1783 CD ARG A 117 15.352 -8.598 9.004 1.00 63.41 C ATOM 1784 NE ARG A 117 15.712 -7.202 9.233 1.00 40.53 N ATOM 1785 CZ ARG A 117 16.275 -6.762 10.353 1.00 40.45 C ATOM 1786 NH1 ARG A 117 16.542 -7.605 11.340 1.00 14.02 N ATOM 1787 NH2 ARG A 117 16.573 -5.475 10.486 1.00 61.42 N ATOM 0 H ARG A 117 10.729 -8.026 7.350 1.00 52.13 H new ATOM 0 HA ARG A 117 13.060 -6.571 6.549 1.00 14.50 H new ATOM 0 HB2 ARG A 117 13.083 -7.608 8.689 1.00 23.21 H new ATOM 0 HB3 ARG A 117 12.496 -9.134 8.058 1.00 23.21 H new ATOM 0 HG2 ARG A 117 14.575 -9.837 7.432 1.00 2.31 H new ATOM 0 HG3 ARG A 117 15.079 -8.244 6.904 1.00 2.31 H new ATOM 0 HD2 ARG A 117 14.752 -8.959 9.839 1.00 63.41 H new ATOM 0 HD3 ARG A 117 16.257 -9.205 8.976 1.00 63.41 H new ATOM 0 HE ARG A 117 15.521 -6.527 8.492 1.00 40.53 H new ATOM 0 HH11 ARG A 117 16.315 -8.595 11.241 1.00 14.02 H new ATOM 0 HH12 ARG A 117 16.974 -7.264 12.199 1.00 14.02 H new ATOM 0 HH21 ARG A 117 16.370 -4.823 9.728 1.00 61.42 H new ATOM 0 HH22 ARG A 117 17.005 -5.138 11.346 1.00 61.42 H new ATOM 1801 N ALA A 118 12.184 -9.213 4.860 1.00 13.41 N ATOM 1802 CA ALA A 118 12.471 -10.004 3.670 1.00 34.22 C ATOM 1803 C ALA A 118 12.138 -9.228 2.401 1.00 52.52 C ATOM 1804 O ALA A 118 12.782 -9.405 1.367 1.00 62.04 O ATOM 1805 CB ALA A 118 11.697 -11.314 3.708 1.00 12.33 C ATOM 0 H ALA A 118 11.271 -9.395 5.277 1.00 13.41 H new ATOM 0 HA ALA A 118 13.538 -10.225 3.660 1.00 34.22 H new ATOM 0 HB1 ALA A 118 11.921 -11.895 2.813 1.00 12.33 H new ATOM 0 HB2 ALA A 118 11.987 -11.882 4.592 1.00 12.33 H new ATOM 0 HB3 ALA A 118 10.628 -11.104 3.746 1.00 12.33 H new ATOM 1811 N ILE A 119 11.128 -8.368 2.486 1.00 4.33 N ATOM 1812 CA ILE A 119 10.711 -7.564 1.344 1.00 21.20 C ATOM 1813 C ILE A 119 11.565 -6.307 1.215 1.00 34.11 C ATOM 1814 O ILE A 119 12.058 -5.987 0.133 1.00 34.44 O ATOM 1815 CB ILE A 119 9.230 -7.157 1.454 1.00 40.55 C ATOM 1816 CG1 ILE A 119 8.339 -8.399 1.510 1.00 22.23 C ATOM 1817 CG2 ILE A 119 8.837 -6.269 0.282 1.00 71.43 C ATOM 1818 CD1 ILE A 119 7.012 -8.160 2.195 1.00 32.41 C ATOM 0 H ILE A 119 10.584 -8.210 3.334 1.00 4.33 H new ATOM 0 HA ILE A 119 10.844 -8.183 0.456 1.00 21.20 H new ATOM 0 HB ILE A 119 9.091 -6.592 2.376 1.00 40.55 H new ATOM 0 HG12 ILE A 119 8.156 -8.751 0.495 1.00 22.23 H new ATOM 0 HG13 ILE A 119 8.870 -9.194 2.033 1.00 22.23 H new ATOM 0 HG21 ILE A 119 7.787 -5.989 0.373 1.00 71.43 H new ATOM 0 HG22 ILE A 119 9.454 -5.370 0.284 1.00 71.43 H new ATOM 0 HG23 ILE A 119 8.988 -6.811 -0.652 1.00 71.43 H new ATOM 0 HD11 ILE A 119 6.433 -9.083 2.198 1.00 32.41 H new ATOM 0 HD12 ILE A 119 7.185 -7.837 3.221 1.00 32.41 H new ATOM 0 HD13 ILE A 119 6.460 -7.387 1.660 1.00 32.41 H new ATOM 1830 N SER A 120 11.736 -5.599 2.326 1.00 4.54 N ATOM 1831 CA SER A 120 12.529 -4.375 2.338 1.00 42.33 C ATOM 1832 C SER A 120 13.971 -4.657 1.926 1.00 73.43 C ATOM 1833 O SER A 120 14.678 -3.769 1.449 1.00 21.02 O ATOM 1834 CB SER A 120 12.500 -3.736 3.728 1.00 40.14 C ATOM 1835 OG SER A 120 11.175 -3.412 4.112 1.00 2.31 O ATOM 0 H SER A 120 11.336 -5.851 3.230 1.00 4.54 H new ATOM 0 HA SER A 120 12.092 -3.682 1.618 1.00 42.33 H new ATOM 0 HB2 SER A 120 12.936 -4.421 4.456 1.00 40.14 H new ATOM 0 HB3 SER A 120 13.113 -2.835 3.731 1.00 40.14 H new ATOM 0 HG SER A 120 10.756 -4.193 4.531 1.00 2.31 H new ATOM 1841 N HIS A 121 14.400 -5.901 2.113 1.00 71.51 N ATOM 1842 CA HIS A 121 15.757 -6.303 1.761 1.00 62.15 C ATOM 1843 C HIS A 121 16.051 -5.998 0.295 1.00 51.32 C ATOM 1844 O HIS A 121 17.205 -5.808 -0.091 1.00 14.52 O ATOM 1845 CB HIS A 121 15.957 -7.794 2.033 1.00 63.21 C ATOM 1846 CG HIS A 121 17.392 -8.223 1.993 1.00 32.10 C ATOM 1847 ND1 HIS A 121 17.984 -8.766 0.872 1.00 2.43 N ATOM 1848 CD2 HIS A 121 18.354 -8.185 2.944 1.00 31.34 C ATOM 1849 CE1 HIS A 121 19.248 -9.044 1.136 1.00 22.54 C ATOM 1850 NE2 HIS A 121 19.498 -8.701 2.387 1.00 30.42 N ATOM 0 H HIS A 121 13.828 -6.648 2.506 1.00 71.51 H new ATOM 0 HA HIS A 121 16.450 -5.732 2.379 1.00 62.15 H new ATOM 0 HB2 HIS A 121 15.541 -8.035 3.011 1.00 63.21 H new ATOM 0 HB3 HIS A 121 15.394 -8.368 1.297 1.00 63.21 H new ATOM 0 HD2 HIS A 121 18.243 -7.817 3.953 1.00 31.34 H new ATOM 0 HE1 HIS A 121 19.957 -9.478 0.446 1.00 22.54 H new ATOM 0 HE2 HIS A 121 20.395 -8.803 2.862 1.00 30.42 H new ATOM 1858 N TYR A 122 15.000 -5.953 -0.517 1.00 65.20 N ATOM 1859 CA TYR A 122 15.146 -5.674 -1.941 1.00 21.33 C ATOM 1860 C TYR A 122 14.736 -4.240 -2.260 1.00 11.24 C ATOM 1861 O TYR A 122 15.572 -3.408 -2.610 1.00 40.25 O ATOM 1862 CB TYR A 122 14.304 -6.652 -2.762 1.00 50.11 C ATOM 1863 CG TYR A 122 14.443 -8.091 -2.319 1.00 54.11 C ATOM 1864 CD1 TYR A 122 15.649 -8.766 -2.453 1.00 64.44 C ATOM 1865 CD2 TYR A 122 13.367 -8.775 -1.767 1.00 72.42 C ATOM 1866 CE1 TYR A 122 15.781 -10.081 -2.051 1.00 33.44 C ATOM 1867 CE2 TYR A 122 13.489 -10.090 -1.360 1.00 43.24 C ATOM 1868 CZ TYR A 122 14.698 -10.738 -1.504 1.00 61.53 C ATOM 1869 OH TYR A 122 14.824 -12.048 -1.102 1.00 33.34 O ATOM 0 H TYR A 122 14.038 -6.106 -0.214 1.00 65.20 H new ATOM 0 HA TYR A 122 16.196 -5.799 -2.204 1.00 21.33 H new ATOM 0 HB2 TYR A 122 13.256 -6.360 -2.696 1.00 50.11 H new ATOM 0 HB3 TYR A 122 14.591 -6.574 -3.811 1.00 50.11 H new ATOM 0 HD1 TYR A 122 16.499 -8.254 -2.879 1.00 64.44 H new ATOM 0 HD2 TYR A 122 12.419 -8.270 -1.654 1.00 72.42 H new ATOM 0 HE1 TYR A 122 16.726 -10.592 -2.164 1.00 33.44 H new ATOM 0 HE2 TYR A 122 12.643 -10.607 -0.932 1.00 43.24 H new ATOM 0 HH TYR A 122 14.903 -12.626 -1.890 1.00 33.34 H new