USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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 16 HIS : no HE2:sc= -0.149 K(o=-0.94,f=-2.6) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.793 K(o=-0.94,f=0.37) USER MOD Set 2.1: A 10 TYR OH : rot -81:sc= -0.488 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.15 K(o=-2,f=-2.9) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -1.35 K(o=-2,f=-3.9!) USER MOD Single : A 8 THR OG1 : rot -172:sc= -0.862 USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.2) USER MOD Single : A 19 HIS : no HD1:sc= -0.641 K(o=-0.64,f=0.17) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 39 TYR OH : rot -152:sc= 0.405 USER MOD Single : A 42 THR OG1 : rot 44:sc= -0.0249 USER MOD Single : A 43 TYR OH : rot -15:sc= -0.0489 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -1.18 (180deg=-1.92!) USER MOD Single : A 50 TYR OH : rot 28:sc= 0.0316 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00231 USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 63 TYR OH : rot -151:sc= -0.754 USER MOD Single : A 65 GLN : amide:sc= -2.76 X(o=-2.8,f=-3.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 76 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= 0.144! (180deg=-0.0862) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 2.364 -0.770 -4.145 1.00 73.32 N ATOM 19 CA ASP A 2 2.168 -1.861 -5.105 1.00 72.43 C ATOM 20 C ASP A 2 3.096 -1.682 -6.317 1.00 43.14 C ATOM 21 O ASP A 2 3.633 -0.594 -6.534 1.00 72.10 O ATOM 22 CB ASP A 2 0.705 -1.878 -5.575 1.00 33.21 C ATOM 23 CG ASP A 2 -0.273 -2.136 -4.443 1.00 4.03 C ATOM 24 OD1 ASP A 2 -0.470 -1.237 -3.599 1.00 14.40 O ATOM 25 OD2 ASP A 2 -0.862 -3.236 -4.401 1.00 11.22 O ATOM 0 HA ASP A 2 2.407 -2.805 -4.616 1.00 72.43 H new ATOM 0 HB2 ASP A 2 0.468 -0.923 -6.044 1.00 33.21 H new ATOM 0 HB3 ASP A 2 0.582 -2.647 -6.338 1.00 33.21 H new ATOM 30 N PRO A 3 3.310 -2.744 -7.126 1.00 62.04 N ATOM 31 CA PRO A 3 4.039 -2.622 -8.404 1.00 1.53 C ATOM 32 C PRO A 3 3.438 -1.530 -9.303 1.00 4.12 C ATOM 33 O PRO A 3 4.125 -0.932 -10.129 1.00 55.33 O ATOM 34 CB PRO A 3 3.871 -4.010 -9.040 1.00 50.54 C ATOM 35 CG PRO A 3 3.663 -4.932 -7.885 1.00 23.10 C ATOM 36 CD PRO A 3 2.898 -4.139 -6.856 1.00 73.14 C ATOM 0 HA PRO A 3 5.081 -2.333 -8.264 1.00 1.53 H new ATOM 0 HB2 PRO A 3 3.022 -4.033 -9.723 1.00 50.54 H new ATOM 0 HB3 PRO A 3 4.752 -4.291 -9.617 1.00 50.54 H new ATOM 0 HG2 PRO A 3 3.106 -5.818 -8.188 1.00 23.10 H new ATOM 0 HG3 PRO A 3 4.616 -5.276 -7.483 1.00 23.10 H new ATOM 0 HD2 PRO A 3 1.821 -4.269 -6.967 1.00 73.14 H new ATOM 0 HD3 PRO A 3 3.153 -4.445 -5.841 1.00 73.14 H new ATOM 44 N GLU A 4 2.147 -1.274 -9.104 1.00 25.42 N ATOM 45 CA GLU A 4 1.410 -0.244 -9.844 1.00 52.55 C ATOM 46 C GLU A 4 2.005 1.160 -9.632 1.00 22.43 C ATOM 47 O GLU A 4 1.986 1.994 -10.543 1.00 34.20 O ATOM 48 CB GLU A 4 -0.061 -0.263 -9.409 1.00 75.43 C ATOM 49 CG GLU A 4 -0.750 -1.600 -9.657 1.00 32.31 C ATOM 50 CD GLU A 4 -2.149 -1.665 -9.063 1.00 2.01 C ATOM 51 OE1 GLU A 4 -3.049 -0.959 -9.566 1.00 2.31 O ATOM 52 OE2 GLU A 4 -2.356 -2.422 -8.092 1.00 4.41 O ATOM 0 H GLU A 4 1.577 -1.776 -8.423 1.00 25.42 H new ATOM 0 HA GLU A 4 1.490 -0.471 -10.907 1.00 52.55 H new ATOM 0 HB2 GLU A 4 -0.121 -0.023 -8.347 1.00 75.43 H new ATOM 0 HB3 GLU A 4 -0.600 0.519 -9.943 1.00 75.43 H new ATOM 0 HG2 GLU A 4 -0.808 -1.779 -10.731 1.00 32.31 H new ATOM 0 HG3 GLU A 4 -0.143 -2.400 -9.233 1.00 32.31 H new ATOM 59 N ASP A 5 2.522 1.417 -8.428 1.00 2.55 N ATOM 60 CA ASP A 5 3.179 2.693 -8.122 1.00 52.40 C ATOM 61 C ASP A 5 4.361 2.953 -9.080 1.00 61.10 C ATOM 62 O ASP A 5 5.215 2.081 -9.272 1.00 23.54 O ATOM 63 CB ASP A 5 3.659 2.700 -6.665 1.00 14.11 C ATOM 64 CG ASP A 5 2.507 2.669 -5.673 1.00 0.23 C ATOM 65 OD1 ASP A 5 1.824 1.629 -5.580 1.00 13.30 O ATOM 66 OD2 ASP A 5 2.278 3.686 -4.980 1.00 60.45 O ATOM 0 H ASP A 5 2.499 0.760 -7.648 1.00 2.55 H new ATOM 0 HA ASP A 5 2.453 3.494 -8.261 1.00 52.40 H new ATOM 0 HB2 ASP A 5 4.305 1.839 -6.494 1.00 14.11 H new ATOM 0 HB3 ASP A 5 4.262 3.591 -6.489 1.00 14.11 H new ATOM 71 N PRO A 6 4.429 4.161 -9.682 1.00 51.12 N ATOM 72 CA PRO A 6 5.428 4.494 -10.715 1.00 33.21 C ATOM 73 C PRO A 6 6.868 4.120 -10.322 1.00 45.24 C ATOM 74 O PRO A 6 7.570 3.450 -11.080 1.00 3.13 O ATOM 75 CB PRO A 6 5.285 6.021 -10.889 1.00 1.42 C ATOM 76 CG PRO A 6 4.419 6.477 -9.756 1.00 31.40 C ATOM 77 CD PRO A 6 3.549 5.303 -9.401 1.00 1.42 C ATOM 0 HA PRO A 6 5.248 3.929 -11.630 1.00 33.21 H new ATOM 0 HB2 PRO A 6 6.258 6.511 -10.860 1.00 1.42 H new ATOM 0 HB3 PRO A 6 4.833 6.265 -11.850 1.00 1.42 H new ATOM 0 HG2 PRO A 6 5.023 6.787 -8.903 1.00 31.40 H new ATOM 0 HG3 PRO A 6 3.815 7.336 -10.048 1.00 31.40 H new ATOM 0 HD2 PRO A 6 3.238 5.329 -8.357 1.00 1.42 H new ATOM 0 HD3 PRO A 6 2.641 5.274 -10.003 1.00 1.42 H new ATOM 85 N PHE A 7 7.294 4.533 -9.130 1.00 23.41 N ATOM 86 CA PHE A 7 8.665 4.282 -8.667 1.00 5.12 C ATOM 87 C PHE A 7 8.904 2.791 -8.367 1.00 3.35 C ATOM 88 O PHE A 7 10.028 2.302 -8.487 1.00 63.02 O ATOM 89 CB PHE A 7 8.975 5.135 -7.426 1.00 63.05 C ATOM 90 CG PHE A 7 10.406 5.028 -6.952 1.00 41.22 C ATOM 91 CD1 PHE A 7 11.433 5.631 -7.666 1.00 13.44 C ATOM 92 CD2 PHE A 7 10.723 4.331 -5.794 1.00 31.12 C ATOM 93 CE1 PHE A 7 12.744 5.538 -7.236 1.00 60.40 C ATOM 94 CE2 PHE A 7 12.032 4.237 -5.361 1.00 24.22 C ATOM 95 CZ PHE A 7 13.043 4.841 -6.083 1.00 41.04 C ATOM 0 H PHE A 7 6.713 5.043 -8.465 1.00 23.41 H new ATOM 0 HA PHE A 7 9.342 4.567 -9.473 1.00 5.12 H new ATOM 0 HB2 PHE A 7 8.754 6.179 -7.650 1.00 63.05 H new ATOM 0 HB3 PHE A 7 8.311 4.835 -6.616 1.00 63.05 H new ATOM 0 HD1 PHE A 7 11.205 6.179 -8.568 1.00 13.44 H new ATOM 0 HD2 PHE A 7 9.937 3.857 -5.225 1.00 31.12 H new ATOM 0 HE1 PHE A 7 13.533 6.010 -7.802 1.00 60.40 H new ATOM 0 HE2 PHE A 7 12.264 3.691 -4.458 1.00 24.22 H new ATOM 0 HZ PHE A 7 14.066 4.768 -5.746 1.00 41.04 H new ATOM 105 N THR A 8 7.850 2.067 -7.987 1.00 14.11 N ATOM 106 CA THR A 8 7.977 0.636 -7.671 1.00 74.03 C ATOM 107 C THR A 8 8.292 -0.182 -8.930 1.00 2.33 C ATOM 108 O THR A 8 9.297 -0.891 -8.990 1.00 11.12 O ATOM 109 CB THR A 8 6.688 0.071 -7.025 1.00 73.14 C ATOM 110 OG1 THR A 8 6.276 0.896 -5.924 1.00 63.22 O ATOM 111 CG2 THR A 8 6.903 -1.356 -6.528 1.00 2.43 C ATOM 0 H THR A 8 6.906 2.440 -7.890 1.00 14.11 H new ATOM 0 HA THR A 8 8.798 0.550 -6.959 1.00 74.03 H new ATOM 0 HB THR A 8 5.911 0.066 -7.789 1.00 73.14 H new ATOM 0 HG1 THR A 8 5.537 0.462 -5.448 1.00 63.22 H new ATOM 0 HG21 THR A 8 5.982 -1.728 -6.079 1.00 2.43 H new ATOM 0 HG22 THR A 8 7.182 -1.995 -7.366 1.00 2.43 H new ATOM 0 HG23 THR A 8 7.699 -1.366 -5.784 1.00 2.43 H new ATOM 119 N ARG A 9 7.432 -0.065 -9.941 1.00 21.44 N ATOM 120 CA ARG A 9 7.659 -0.723 -11.239 1.00 31.01 C ATOM 121 C ARG A 9 8.955 -0.220 -11.903 1.00 2.33 C ATOM 122 O ARG A 9 9.652 -0.974 -12.581 1.00 30.01 O ATOM 123 CB ARG A 9 6.440 -0.510 -12.159 1.00 1.31 C ATOM 124 CG ARG A 9 5.922 0.931 -12.181 1.00 12.24 C ATOM 125 CD ARG A 9 4.473 1.023 -12.665 1.00 60.13 C ATOM 126 NE ARG A 9 4.349 0.945 -14.119 1.00 14.30 N ATOM 127 CZ ARG A 9 4.028 -0.127 -14.789 1.00 23.12 C ATOM 128 NH1 ARG A 9 3.837 -1.260 -14.189 1.00 34.32 N ATOM 129 NH2 ARG A 9 3.893 -0.056 -16.070 1.00 1.44 N ATOM 0 H ARG A 9 6.570 0.478 -9.892 1.00 21.44 H new ATOM 0 HA ARG A 9 7.780 -1.793 -11.067 1.00 31.01 H new ATOM 0 HB2 ARG A 9 6.707 -0.805 -13.174 1.00 1.31 H new ATOM 0 HB3 ARG A 9 5.635 -1.170 -11.837 1.00 1.31 H new ATOM 0 HG2 ARG A 9 5.995 1.356 -11.180 1.00 12.24 H new ATOM 0 HG3 ARG A 9 6.558 1.533 -12.830 1.00 12.24 H new ATOM 0 HD2 ARG A 9 3.893 0.218 -12.213 1.00 60.13 H new ATOM 0 HD3 ARG A 9 4.039 1.961 -12.319 1.00 60.13 H new ATOM 0 HE ARG A 9 4.528 1.796 -14.652 1.00 14.30 H new ATOM 0 HH11 ARG A 9 3.937 -1.324 -13.176 1.00 34.32 H new ATOM 0 HH12 ARG A 9 3.586 -2.088 -14.730 1.00 34.32 H new ATOM 0 HH21 ARG A 9 4.037 0.833 -16.550 1.00 1.44 H new ATOM 0 HH22 ARG A 9 3.642 -0.889 -16.603 1.00 1.44 H new ATOM 143 N TYR A 10 9.269 1.056 -11.686 1.00 15.11 N ATOM 144 CA TYR A 10 10.538 1.648 -12.129 1.00 2.32 C ATOM 145 C TYR A 10 11.742 0.946 -11.467 1.00 4.11 C ATOM 146 O TYR A 10 12.726 0.605 -12.131 1.00 43.04 O ATOM 147 CB TYR A 10 10.521 3.146 -11.787 1.00 43.22 C ATOM 148 CG TYR A 10 11.819 3.891 -12.037 1.00 23.12 C ATOM 149 CD1 TYR A 10 12.155 4.345 -13.308 1.00 63.13 C ATOM 150 CD2 TYR A 10 12.695 4.166 -10.989 1.00 51.23 C ATOM 151 CE1 TYR A 10 13.324 5.048 -13.527 1.00 22.55 C ATOM 152 CE2 TYR A 10 13.865 4.863 -11.203 1.00 61.52 C ATOM 153 CZ TYR A 10 14.174 5.304 -12.470 1.00 22.41 C ATOM 154 OH TYR A 10 15.338 6.007 -12.683 1.00 3.05 O ATOM 0 H TYR A 10 8.656 1.710 -11.200 1.00 15.11 H new ATOM 0 HA TYR A 10 10.645 1.516 -13.206 1.00 2.32 H new ATOM 0 HB2 TYR A 10 9.731 3.624 -12.367 1.00 43.22 H new ATOM 0 HB3 TYR A 10 10.256 3.257 -10.736 1.00 43.22 H new ATOM 0 HD1 TYR A 10 11.492 4.145 -14.137 1.00 63.13 H new ATOM 0 HD2 TYR A 10 12.453 3.827 -9.992 1.00 51.23 H new ATOM 0 HE1 TYR A 10 13.571 5.395 -14.519 1.00 22.55 H new ATOM 0 HE2 TYR A 10 14.536 5.062 -10.381 1.00 61.52 H new ATOM 0 HH TYR A 10 16.021 5.406 -13.047 1.00 3.05 H new ATOM 164 N ALA A 11 11.645 0.722 -10.157 1.00 71.33 N ATOM 165 CA ALA A 11 12.697 0.036 -9.398 1.00 45.42 C ATOM 166 C ALA A 11 12.845 -1.432 -9.831 1.00 21.34 C ATOM 167 O ALA A 11 13.954 -1.904 -10.085 1.00 22.14 O ATOM 168 CB ALA A 11 12.406 0.125 -7.903 1.00 45.10 C ATOM 0 H ALA A 11 10.844 1.007 -9.594 1.00 71.33 H new ATOM 0 HA ALA A 11 13.642 0.536 -9.609 1.00 45.42 H new ATOM 0 HB1 ALA A 11 13.192 -0.387 -7.348 1.00 45.10 H new ATOM 0 HB2 ALA A 11 12.371 1.172 -7.601 1.00 45.10 H new ATOM 0 HB3 ALA A 11 11.446 -0.346 -7.690 1.00 45.10 H new ATOM 174 N LEU A 12 11.722 -2.151 -9.914 1.00 51.12 N ATOM 175 CA LEU A 12 11.728 -3.546 -10.380 1.00 34.41 C ATOM 176 C LEU A 12 12.362 -3.672 -11.774 1.00 5.02 C ATOM 177 O LEU A 12 13.078 -4.636 -12.055 1.00 45.54 O ATOM 178 CB LEU A 12 10.303 -4.130 -10.393 1.00 21.20 C ATOM 179 CG LEU A 12 9.821 -4.753 -9.070 1.00 13.25 C ATOM 180 CD1 LEU A 12 10.700 -5.941 -8.680 1.00 41.24 C ATOM 181 CD2 LEU A 12 9.787 -3.715 -7.950 1.00 33.13 C ATOM 0 H LEU A 12 10.799 -1.794 -9.666 1.00 51.12 H new ATOM 0 HA LEU A 12 12.334 -4.118 -9.677 1.00 34.41 H new ATOM 0 HB2 LEU A 12 9.609 -3.338 -10.674 1.00 21.20 H new ATOM 0 HB3 LEU A 12 10.250 -4.891 -11.172 1.00 21.20 H new ATOM 0 HG LEU A 12 8.804 -5.114 -9.222 1.00 13.25 H new ATOM 0 HD11 LEU A 12 10.342 -6.366 -7.742 1.00 41.24 H new ATOM 0 HD12 LEU A 12 10.656 -6.699 -9.462 1.00 41.24 H new ATOM 0 HD13 LEU A 12 11.730 -5.606 -8.557 1.00 41.24 H new ATOM 0 HD21 LEU A 12 9.443 -4.185 -7.029 1.00 33.13 H new ATOM 0 HD22 LEU A 12 10.788 -3.310 -7.799 1.00 33.13 H new ATOM 0 HD23 LEU A 12 9.106 -2.908 -8.222 1.00 33.13 H new ATOM 193 N ALA A 13 12.088 -2.704 -12.645 1.00 74.20 N ATOM 194 CA ALA A 13 12.713 -2.660 -13.970 1.00 44.14 C ATOM 195 C ALA A 13 14.246 -2.633 -13.854 1.00 31.05 C ATOM 196 O ALA A 13 14.947 -3.397 -14.524 1.00 22.21 O ATOM 197 CB ALA A 13 12.210 -1.448 -14.744 1.00 10.35 C ATOM 0 H ALA A 13 11.439 -1.939 -12.460 1.00 74.20 H new ATOM 0 HA ALA A 13 12.436 -3.563 -14.514 1.00 44.14 H new ATOM 0 HB1 ALA A 13 12.680 -1.424 -15.727 1.00 10.35 H new ATOM 0 HB2 ALA A 13 11.128 -1.514 -14.860 1.00 10.35 H new ATOM 0 HB3 ALA A 13 12.462 -0.538 -14.199 1.00 10.35 H new ATOM 203 N GLN A 14 14.756 -1.764 -12.982 1.00 11.22 N ATOM 204 CA GLN A 14 16.198 -1.670 -12.729 1.00 32.13 C ATOM 205 C GLN A 14 16.753 -2.990 -12.163 1.00 62.20 C ATOM 206 O GLN A 14 17.807 -3.465 -12.590 1.00 63.22 O ATOM 207 CB GLN A 14 16.495 -0.515 -11.761 1.00 32.15 C ATOM 208 CG GLN A 14 16.031 0.850 -12.267 1.00 33.21 C ATOM 209 CD GLN A 14 16.317 1.977 -11.285 1.00 23.22 C ATOM 210 OE1 GLN A 14 16.354 1.776 -10.078 1.00 13.50 O ATOM 211 NE2 GLN A 14 16.521 3.174 -11.799 1.00 53.41 N ATOM 0 H GLN A 14 14.192 -1.112 -12.436 1.00 11.22 H new ATOM 0 HA GLN A 14 16.693 -1.475 -13.680 1.00 32.13 H new ATOM 0 HB2 GLN A 14 16.012 -0.721 -10.806 1.00 32.15 H new ATOM 0 HB3 GLN A 14 17.568 -0.477 -11.574 1.00 32.15 H new ATOM 0 HG2 GLN A 14 16.524 1.067 -13.214 1.00 33.21 H new ATOM 0 HG3 GLN A 14 14.960 0.813 -12.467 1.00 33.21 H new ATOM 0 HE21 GLN A 14 16.483 3.308 -12.809 1.00 53.41 H new ATOM 0 HE22 GLN A 14 16.717 3.966 -11.186 1.00 53.41 H new ATOM 220 N GLU A 15 16.034 -3.580 -11.206 1.00 72.23 N ATOM 221 CA GLU A 15 16.420 -4.876 -10.631 1.00 44.45 C ATOM 222 C GLU A 15 16.516 -5.964 -11.709 1.00 22.50 C ATOM 223 O GLU A 15 17.472 -6.741 -11.734 1.00 52.23 O ATOM 224 CB GLU A 15 15.425 -5.310 -9.543 1.00 54.33 C ATOM 225 CG GLU A 15 15.403 -4.398 -8.323 1.00 40.23 C ATOM 226 CD GLU A 15 16.766 -4.271 -7.657 1.00 10.24 C ATOM 227 OE1 GLU A 15 17.182 -5.214 -6.948 1.00 32.34 O ATOM 228 OE2 GLU A 15 17.425 -3.228 -7.834 1.00 64.33 O ATOM 0 H GLU A 15 15.181 -3.183 -10.811 1.00 72.23 H new ATOM 0 HA GLU A 15 17.405 -4.749 -10.182 1.00 44.45 H new ATOM 0 HB2 GLU A 15 14.425 -5.347 -9.974 1.00 54.33 H new ATOM 0 HB3 GLU A 15 15.672 -6.322 -9.223 1.00 54.33 H new ATOM 0 HG2 GLU A 15 15.056 -3.409 -8.621 1.00 40.23 H new ATOM 0 HG3 GLU A 15 14.685 -4.784 -7.600 1.00 40.23 H new ATOM 235 N HIS A 16 15.529 -6.017 -12.602 1.00 23.20 N ATOM 236 CA HIS A 16 15.547 -6.985 -13.703 1.00 41.14 C ATOM 237 C HIS A 16 16.791 -6.796 -14.587 1.00 70.01 C ATOM 238 O HIS A 16 17.408 -7.771 -15.011 1.00 61.42 O ATOM 239 CB HIS A 16 14.270 -6.887 -14.548 1.00 41.14 C ATOM 240 CG HIS A 16 13.059 -7.476 -13.882 1.00 62.00 C ATOM 241 ND1 HIS A 16 12.948 -8.816 -13.571 1.00 52.33 N ATOM 242 CD2 HIS A 16 11.902 -6.905 -13.466 1.00 4.25 C ATOM 243 CE1 HIS A 16 11.782 -9.040 -13.000 1.00 52.23 C ATOM 244 NE2 HIS A 16 11.130 -7.900 -12.922 1.00 52.30 N ATOM 0 H HIS A 16 14.712 -5.407 -12.588 1.00 23.20 H new ATOM 0 HA HIS A 16 15.589 -7.981 -13.262 1.00 41.14 H new ATOM 0 HB2 HIS A 16 14.075 -5.839 -14.776 1.00 41.14 H new ATOM 0 HB3 HIS A 16 14.434 -7.395 -15.499 1.00 41.14 H new ATOM 0 HD1 HIS A 16 13.659 -9.524 -13.755 1.00 52.33 H new ATOM 0 HD2 HIS A 16 11.637 -5.861 -13.548 1.00 4.25 H new ATOM 0 HE1 HIS A 16 11.422 -9.998 -12.654 1.00 52.23 H new ATOM 253 N LEU A 17 17.163 -5.541 -14.848 1.00 15.25 N ATOM 254 CA LEU A 17 18.391 -5.235 -15.599 1.00 75.31 C ATOM 255 C LEU A 17 19.626 -5.833 -14.912 1.00 73.31 C ATOM 256 O LEU A 17 20.566 -6.273 -15.576 1.00 71.34 O ATOM 257 CB LEU A 17 18.571 -3.715 -15.738 1.00 42.43 C ATOM 258 CG LEU A 17 17.504 -2.997 -16.572 1.00 3.24 C ATOM 259 CD1 LEU A 17 17.756 -1.492 -16.590 1.00 3.50 C ATOM 260 CD2 LEU A 17 17.466 -3.557 -17.989 1.00 3.03 C ATOM 0 H LEU A 17 16.636 -4.719 -14.553 1.00 15.25 H new ATOM 0 HA LEU A 17 18.291 -5.681 -16.588 1.00 75.31 H new ATOM 0 HB2 LEU A 17 18.584 -3.276 -14.741 1.00 42.43 H new ATOM 0 HB3 LEU A 17 19.547 -3.522 -16.184 1.00 42.43 H new ATOM 0 HG LEU A 17 16.532 -3.172 -16.110 1.00 3.24 H new ATOM 0 HD11 LEU A 17 16.987 -1.002 -17.187 1.00 3.50 H new ATOM 0 HD12 LEU A 17 17.725 -1.106 -15.571 1.00 3.50 H new ATOM 0 HD13 LEU A 17 18.736 -1.292 -17.024 1.00 3.50 H new ATOM 0 HD21 LEU A 17 16.703 -3.035 -18.566 1.00 3.03 H new ATOM 0 HD22 LEU A 17 18.438 -3.416 -18.462 1.00 3.03 H new ATOM 0 HD23 LEU A 17 17.230 -4.621 -17.954 1.00 3.03 H new ATOM 272 N LYS A 18 19.609 -5.828 -13.579 1.00 14.02 N ATOM 273 CA LYS A 18 20.690 -6.404 -12.768 1.00 24.31 C ATOM 274 C LYS A 18 20.622 -7.941 -12.766 1.00 54.41 C ATOM 275 O LYS A 18 21.646 -8.623 -12.749 1.00 41.22 O ATOM 276 CB LYS A 18 20.587 -5.882 -11.330 1.00 2.14 C ATOM 277 CG LYS A 18 20.588 -4.359 -11.229 1.00 73.41 C ATOM 278 CD LYS A 18 20.257 -3.888 -9.816 1.00 62.12 C ATOM 279 CE LYS A 18 20.177 -2.366 -9.725 1.00 50.41 C ATOM 280 NZ LYS A 18 19.787 -1.914 -8.365 1.00 51.01 N ATOM 0 H LYS A 18 18.849 -5.427 -13.029 1.00 14.02 H new ATOM 0 HA LYS A 18 21.643 -6.104 -13.204 1.00 24.31 H new ATOM 0 HB2 LYS A 18 19.673 -6.267 -10.878 1.00 2.14 H new ATOM 0 HB3 LYS A 18 21.421 -6.276 -10.749 1.00 2.14 H new ATOM 0 HG2 LYS A 18 21.566 -3.975 -11.521 1.00 73.41 H new ATOM 0 HG3 LYS A 18 19.862 -3.947 -11.930 1.00 73.41 H new ATOM 0 HD2 LYS A 18 19.307 -4.320 -9.503 1.00 62.12 H new ATOM 0 HD3 LYS A 18 21.017 -4.253 -9.125 1.00 62.12 H new ATOM 0 HE2 LYS A 18 21.143 -1.935 -9.988 1.00 50.41 H new ATOM 0 HE3 LYS A 18 19.454 -1.996 -10.452 1.00 50.41 H new ATOM 0 HZ1 LYS A 18 19.433 -0.937 -8.412 1.00 51.01 H new ATOM 0 HZ2 LYS A 18 19.040 -2.535 -7.994 1.00 51.01 H new ATOM 0 HZ3 LYS A 18 20.614 -1.953 -7.736 1.00 51.01 H new ATOM 294 N HIS A 19 19.402 -8.476 -12.785 1.00 24.55 N ATOM 295 CA HIS A 19 19.181 -9.930 -12.797 1.00 62.44 C ATOM 296 C HIS A 19 19.102 -10.482 -14.235 1.00 35.23 C ATOM 297 O HIS A 19 18.415 -11.472 -14.489 1.00 23.34 O ATOM 298 CB HIS A 19 17.900 -10.277 -12.020 1.00 54.35 C ATOM 299 CG HIS A 19 17.993 -10.007 -10.547 1.00 25.02 C ATOM 300 ND1 HIS A 19 18.617 -10.859 -9.662 1.00 44.02 N ATOM 301 CD2 HIS A 19 17.536 -8.971 -9.801 1.00 0.34 C ATOM 302 CE1 HIS A 19 18.541 -10.362 -8.444 1.00 73.11 C ATOM 303 NE2 HIS A 19 17.891 -9.218 -8.499 1.00 62.35 N ATOM 0 H HIS A 19 18.544 -7.925 -12.793 1.00 24.55 H new ATOM 0 HA HIS A 19 20.035 -10.401 -12.310 1.00 62.44 H new ATOM 0 HB2 HIS A 19 17.069 -9.705 -12.433 1.00 54.35 H new ATOM 0 HB3 HIS A 19 17.668 -11.331 -12.173 1.00 54.35 H new ATOM 0 HD2 HIS A 19 16.993 -8.111 -10.164 1.00 0.34 H new ATOM 0 HE1 HIS A 19 18.944 -10.816 -7.551 1.00 73.11 H new ATOM 0 HE2 HIS A 19 17.685 -8.614 -7.703 1.00 62.35 H new ATOM 312 N ASP A 20 19.802 -9.820 -15.164 1.00 75.44 N ATOM 313 CA ASP A 20 19.943 -10.290 -16.557 1.00 52.21 C ATOM 314 C ASP A 20 18.643 -10.147 -17.385 1.00 62.31 C ATOM 315 O ASP A 20 18.658 -10.320 -18.604 1.00 1.54 O ATOM 316 CB ASP A 20 20.441 -11.747 -16.576 1.00 35.22 C ATOM 317 CG ASP A 20 20.729 -12.253 -17.979 1.00 11.32 C ATOM 318 OD1 ASP A 20 21.743 -11.829 -18.570 1.00 43.23 O ATOM 319 OD2 ASP A 20 19.939 -13.067 -18.506 1.00 74.41 O ATOM 0 H ASP A 20 20.288 -8.943 -14.976 1.00 75.44 H new ATOM 0 HA ASP A 20 20.680 -9.645 -17.034 1.00 52.21 H new ATOM 0 HB2 ASP A 20 21.346 -11.824 -15.974 1.00 35.22 H new ATOM 0 HB3 ASP A 20 19.693 -12.388 -16.110 1.00 35.22 H new ATOM 324 N ASN A 21 17.531 -9.803 -16.738 1.00 72.52 N ATOM 325 CA ASN A 21 16.239 -9.693 -17.428 1.00 3.11 C ATOM 326 C ASN A 21 16.131 -8.390 -18.234 1.00 0.34 C ATOM 327 O ASN A 21 15.346 -7.498 -17.900 1.00 4.53 O ATOM 328 CB ASN A 21 15.085 -9.788 -16.421 1.00 13.13 C ATOM 329 CG ASN A 21 14.984 -11.146 -15.758 1.00 11.40 C ATOM 330 OD1 ASN A 21 14.613 -11.253 -14.594 1.00 75.02 O ATOM 331 ND2 ASN A 21 15.267 -12.195 -16.501 1.00 22.05 N ATOM 0 H ASN A 21 17.494 -9.595 -15.740 1.00 72.52 H new ATOM 0 HA ASN A 21 16.172 -10.524 -18.130 1.00 3.11 H new ATOM 0 HB2 ASN A 21 15.217 -9.025 -15.654 1.00 13.13 H new ATOM 0 HB3 ASN A 21 14.147 -9.569 -16.931 1.00 13.13 H new ATOM 0 HD21 ASN A 21 15.180 -13.134 -16.112 1.00 22.05 H new ATOM 0 HD22 ASN A 21 15.573 -12.069 -17.466 1.00 22.05 H new ATOM 338 N ALA A 22 16.917 -8.294 -19.302 1.00 21.21 N ATOM 339 CA ALA A 22 16.913 -7.115 -20.170 1.00 4.32 C ATOM 340 C ALA A 22 15.576 -6.971 -20.911 1.00 65.00 C ATOM 341 O ALA A 22 15.002 -5.884 -20.967 1.00 75.20 O ATOM 342 CB ALA A 22 18.072 -7.186 -21.163 1.00 54.33 C ATOM 0 H ALA A 22 17.570 -9.022 -19.591 1.00 21.21 H new ATOM 0 HA ALA A 22 17.040 -6.233 -19.542 1.00 4.32 H new ATOM 0 HB1 ALA A 22 18.058 -6.303 -21.803 1.00 54.33 H new ATOM 0 HB2 ALA A 22 19.016 -7.224 -20.619 1.00 54.33 H new ATOM 0 HB3 ALA A 22 17.971 -8.081 -21.777 1.00 54.33 H new ATOM 348 N SER A 23 15.078 -8.078 -21.464 1.00 73.54 N ATOM 349 CA SER A 23 13.805 -8.075 -22.205 1.00 51.50 C ATOM 350 C SER A 23 12.616 -7.741 -21.289 1.00 52.12 C ATOM 351 O SER A 23 11.768 -6.913 -21.630 1.00 45.35 O ATOM 352 CB SER A 23 13.572 -9.432 -22.885 1.00 10.25 C ATOM 353 OG SER A 23 12.355 -9.441 -23.616 1.00 10.11 O ATOM 0 H SER A 23 15.532 -8.990 -21.416 1.00 73.54 H new ATOM 0 HA SER A 23 13.876 -7.299 -22.967 1.00 51.50 H new ATOM 0 HB2 SER A 23 14.403 -9.653 -23.555 1.00 10.25 H new ATOM 0 HB3 SER A 23 13.552 -10.220 -22.132 1.00 10.25 H new ATOM 0 HG SER A 23 12.234 -10.317 -24.039 1.00 10.11 H new ATOM 359 N ARG A 24 12.564 -8.386 -20.122 1.00 10.31 N ATOM 360 CA ARG A 24 11.500 -8.135 -19.139 1.00 34.51 C ATOM 361 C ARG A 24 11.481 -6.665 -18.692 1.00 75.02 C ATOM 362 O ARG A 24 10.423 -6.030 -18.646 1.00 14.23 O ATOM 363 CB ARG A 24 11.678 -9.044 -17.917 1.00 61.43 C ATOM 364 CG ARG A 24 11.563 -10.532 -18.228 1.00 31.12 C ATOM 365 CD ARG A 24 10.206 -10.884 -18.832 1.00 73.12 C ATOM 366 NE ARG A 24 10.098 -12.306 -19.140 1.00 23.24 N ATOM 367 CZ ARG A 24 9.535 -12.784 -20.215 1.00 1.21 C ATOM 368 NH1 ARG A 24 9.028 -11.996 -21.107 1.00 22.50 N ATOM 369 NH2 ARG A 24 9.473 -14.060 -20.398 1.00 14.33 N ATOM 0 H ARG A 24 13.245 -9.087 -19.831 1.00 10.31 H new ATOM 0 HA ARG A 24 10.548 -8.357 -19.621 1.00 34.51 H new ATOM 0 HB2 ARG A 24 12.654 -8.851 -17.473 1.00 61.43 H new ATOM 0 HB3 ARG A 24 10.930 -8.781 -17.169 1.00 61.43 H new ATOM 0 HG2 ARG A 24 12.354 -10.820 -18.920 1.00 31.12 H new ATOM 0 HG3 ARG A 24 11.714 -11.107 -17.314 1.00 31.12 H new ATOM 0 HD2 ARG A 24 9.415 -10.603 -18.136 1.00 73.12 H new ATOM 0 HD3 ARG A 24 10.052 -10.303 -19.741 1.00 73.12 H new ATOM 0 HE ARG A 24 10.488 -12.970 -18.471 1.00 23.24 H new ATOM 0 HH11 ARG A 24 9.065 -10.985 -20.975 1.00 22.50 H new ATOM 0 HH12 ARG A 24 8.591 -12.385 -21.942 1.00 22.50 H new ATOM 0 HH21 ARG A 24 9.864 -14.695 -19.702 1.00 14.33 H new ATOM 0 HH22 ARG A 24 9.033 -14.434 -21.239 1.00 14.33 H new ATOM 383 N ALA A 25 12.657 -6.132 -18.360 1.00 44.32 N ATOM 384 CA ALA A 25 12.781 -4.730 -17.945 1.00 71.43 C ATOM 385 C ALA A 25 12.450 -3.771 -19.098 1.00 3.53 C ATOM 386 O ALA A 25 11.792 -2.749 -18.899 1.00 74.10 O ATOM 387 CB ALA A 25 14.182 -4.461 -17.418 1.00 0.11 C ATOM 0 H ALA A 25 13.537 -6.647 -18.370 1.00 44.32 H new ATOM 0 HA ALA A 25 12.060 -4.551 -17.147 1.00 71.43 H new ATOM 0 HB1 ALA A 25 14.262 -3.418 -17.113 1.00 0.11 H new ATOM 0 HB2 ALA A 25 14.378 -5.105 -16.561 1.00 0.11 H new ATOM 0 HB3 ALA A 25 14.911 -4.667 -18.202 1.00 0.11 H new ATOM 393 N LEU A 26 12.911 -4.114 -20.303 1.00 50.34 N ATOM 394 CA LEU A 26 12.619 -3.324 -21.505 1.00 33.23 C ATOM 395 C LEU A 26 11.107 -3.125 -21.677 1.00 41.25 C ATOM 396 O LEU A 26 10.631 -1.996 -21.813 1.00 73.24 O ATOM 397 CB LEU A 26 13.211 -4.011 -22.747 1.00 2.33 C ATOM 398 CG LEU A 26 13.055 -3.246 -24.073 1.00 61.23 C ATOM 399 CD1 LEU A 26 13.693 -1.861 -23.982 1.00 55.40 C ATOM 400 CD2 LEU A 26 13.660 -4.043 -25.228 1.00 3.21 C ATOM 0 H LEU A 26 13.490 -4.936 -20.474 1.00 50.34 H new ATOM 0 HA LEU A 26 13.079 -2.343 -21.389 1.00 33.23 H new ATOM 0 HB2 LEU A 26 14.273 -4.184 -22.572 1.00 2.33 H new ATOM 0 HB3 LEU A 26 12.742 -4.989 -22.856 1.00 2.33 H new ATOM 0 HG LEU A 26 11.990 -3.116 -24.266 1.00 61.23 H new ATOM 0 HD11 LEU A 26 13.569 -1.340 -24.932 1.00 55.40 H new ATOM 0 HD12 LEU A 26 13.210 -1.289 -23.189 1.00 55.40 H new ATOM 0 HD13 LEU A 26 14.755 -1.964 -23.760 1.00 55.40 H new ATOM 0 HD21 LEU A 26 13.540 -3.486 -26.157 1.00 3.21 H new ATOM 0 HD22 LEU A 26 14.721 -4.209 -25.039 1.00 3.21 H new ATOM 0 HD23 LEU A 26 13.152 -5.003 -25.313 1.00 3.21 H new ATOM 412 N ALA A 27 10.360 -4.228 -21.642 1.00 13.41 N ATOM 413 CA ALA A 27 8.899 -4.179 -21.741 1.00 15.21 C ATOM 414 C ALA A 27 8.294 -3.244 -20.680 1.00 21.24 C ATOM 415 O ALA A 27 7.352 -2.498 -20.962 1.00 73.13 O ATOM 416 CB ALA A 27 8.315 -5.582 -21.614 1.00 71.41 C ATOM 0 H ALA A 27 10.742 -5.169 -21.546 1.00 13.41 H new ATOM 0 HA ALA A 27 8.642 -3.776 -22.721 1.00 15.21 H new ATOM 0 HB1 ALA A 27 7.229 -5.532 -21.689 1.00 71.41 H new ATOM 0 HB2 ALA A 27 8.705 -6.212 -22.413 1.00 71.41 H new ATOM 0 HB3 ALA A 27 8.593 -6.006 -20.649 1.00 71.41 H new ATOM 422 N LEU A 28 8.850 -3.282 -19.464 1.00 33.44 N ATOM 423 CA LEU A 28 8.405 -2.402 -18.373 1.00 61.13 C ATOM 424 C LEU A 28 8.625 -0.918 -18.720 1.00 40.34 C ATOM 425 O LEU A 28 7.699 -0.112 -18.630 1.00 22.34 O ATOM 426 CB LEU A 28 9.135 -2.752 -17.063 1.00 41.24 C ATOM 427 CG LEU A 28 8.799 -4.129 -16.462 1.00 42.43 C ATOM 428 CD1 LEU A 28 9.659 -4.410 -15.230 1.00 51.43 C ATOM 429 CD2 LEU A 28 7.316 -4.215 -16.108 1.00 31.33 C ATOM 0 H LEU A 28 9.610 -3.913 -19.209 1.00 33.44 H new ATOM 0 HA LEU A 28 7.335 -2.563 -18.237 1.00 61.13 H new ATOM 0 HB2 LEU A 28 10.209 -2.706 -17.243 1.00 41.24 H new ATOM 0 HB3 LEU A 28 8.903 -1.986 -16.323 1.00 41.24 H new ATOM 0 HG LEU A 28 9.020 -4.888 -17.213 1.00 42.43 H new ATOM 0 HD11 LEU A 28 9.403 -5.388 -14.823 1.00 51.43 H new ATOM 0 HD12 LEU A 28 10.712 -4.398 -15.511 1.00 51.43 H new ATOM 0 HD13 LEU A 28 9.476 -3.644 -14.476 1.00 51.43 H new ATOM 0 HD21 LEU A 28 7.099 -5.196 -15.685 1.00 31.33 H new ATOM 0 HD22 LEU A 28 7.071 -3.443 -15.379 1.00 31.33 H new ATOM 0 HD23 LEU A 28 6.718 -4.068 -17.007 1.00 31.33 H new ATOM 441 N PHE A 29 9.848 -0.563 -19.124 1.00 72.40 N ATOM 442 CA PHE A 29 10.168 0.822 -19.510 1.00 10.41 C ATOM 443 C PHE A 29 9.283 1.305 -20.673 1.00 24.25 C ATOM 444 O PHE A 29 8.726 2.404 -20.628 1.00 53.14 O ATOM 445 CB PHE A 29 11.647 0.957 -19.895 1.00 3.44 C ATOM 446 CG PHE A 29 12.604 0.860 -18.731 1.00 32.14 C ATOM 447 CD1 PHE A 29 12.640 1.855 -17.762 1.00 53.43 C ATOM 448 CD2 PHE A 29 13.467 -0.222 -18.604 1.00 55.11 C ATOM 449 CE1 PHE A 29 13.519 1.776 -16.698 1.00 53.21 C ATOM 450 CE2 PHE A 29 14.348 -0.303 -17.543 1.00 51.13 C ATOM 451 CZ PHE A 29 14.371 0.695 -16.587 1.00 43.25 C ATOM 0 H PHE A 29 10.633 -1.210 -19.194 1.00 72.40 H new ATOM 0 HA PHE A 29 9.968 1.450 -18.642 1.00 10.41 H new ATOM 0 HB2 PHE A 29 11.894 0.181 -20.619 1.00 3.44 H new ATOM 0 HB3 PHE A 29 11.795 1.915 -20.393 1.00 3.44 H new ATOM 0 HD1 PHE A 29 11.973 2.701 -17.841 1.00 53.43 H new ATOM 0 HD2 PHE A 29 13.449 -1.009 -19.344 1.00 55.11 H new ATOM 0 HE1 PHE A 29 13.539 2.559 -15.954 1.00 53.21 H new ATOM 0 HE2 PHE A 29 15.018 -1.146 -17.461 1.00 51.13 H new ATOM 0 HZ PHE A 29 15.055 0.629 -15.754 1.00 43.25 H new ATOM 461 N GLU A 30 9.156 0.481 -21.712 1.00 71.12 N ATOM 462 CA GLU A 30 8.289 0.803 -22.854 1.00 15.44 C ATOM 463 C GLU A 30 6.834 1.011 -22.400 1.00 32.42 C ATOM 464 O GLU A 30 6.127 1.888 -22.906 1.00 4.22 O ATOM 465 CB GLU A 30 8.348 -0.317 -23.903 1.00 33.42 C ATOM 466 CG GLU A 30 9.748 -0.602 -24.436 1.00 45.32 C ATOM 467 CD GLU A 30 9.781 -1.790 -25.387 1.00 52.13 C ATOM 468 OE1 GLU A 30 9.157 -2.828 -25.068 1.00 43.22 O ATOM 469 OE2 GLU A 30 10.435 -1.695 -26.449 1.00 73.21 O ATOM 0 H GLU A 30 9.640 -0.414 -21.790 1.00 71.12 H new ATOM 0 HA GLU A 30 8.651 1.730 -23.298 1.00 15.44 H new ATOM 0 HB2 GLU A 30 7.945 -1.231 -23.466 1.00 33.42 H new ATOM 0 HB3 GLU A 30 7.701 -0.051 -24.739 1.00 33.42 H new ATOM 0 HG2 GLU A 30 10.124 0.282 -24.951 1.00 45.32 H new ATOM 0 HG3 GLU A 30 10.420 -0.792 -23.599 1.00 45.32 H new ATOM 476 N GLU A 31 6.400 0.198 -21.436 1.00 2.52 N ATOM 477 CA GLU A 31 5.055 0.309 -20.864 1.00 32.21 C ATOM 478 C GLU A 31 4.912 1.596 -20.032 1.00 73.51 C ATOM 479 O GLU A 31 3.866 2.247 -20.049 1.00 4.44 O ATOM 480 CB GLU A 31 4.746 -0.927 -20.004 1.00 45.31 C ATOM 481 CG GLU A 31 3.319 -0.973 -19.465 1.00 64.24 C ATOM 482 CD GLU A 31 3.018 -2.261 -18.712 1.00 4.50 C ATOM 483 OE1 GLU A 31 2.620 -3.253 -19.358 1.00 23.22 O ATOM 484 OE2 GLU A 31 3.184 -2.288 -17.475 1.00 61.22 O ATOM 0 H GLU A 31 6.964 -0.550 -21.032 1.00 2.52 H new ATOM 0 HA GLU A 31 4.336 0.359 -21.682 1.00 32.21 H new ATOM 0 HB2 GLU A 31 4.927 -1.823 -20.597 1.00 45.31 H new ATOM 0 HB3 GLU A 31 5.441 -0.955 -19.164 1.00 45.31 H new ATOM 0 HG2 GLU A 31 3.158 -0.123 -18.802 1.00 64.24 H new ATOM 0 HG3 GLU A 31 2.618 -0.869 -20.293 1.00 64.24 H new ATOM 491 N LEU A 32 5.971 1.962 -19.310 1.00 42.13 N ATOM 492 CA LEU A 32 5.998 3.220 -18.553 1.00 73.24 C ATOM 493 C LEU A 32 5.755 4.424 -19.478 1.00 63.22 C ATOM 494 O LEU A 32 5.005 5.333 -19.140 1.00 44.02 O ATOM 495 CB LEU A 32 7.347 3.383 -17.835 1.00 54.31 C ATOM 496 CG LEU A 32 7.611 2.413 -16.672 1.00 11.23 C ATOM 497 CD1 LEU A 32 9.053 2.536 -16.181 1.00 53.11 C ATOM 498 CD2 LEU A 32 6.636 2.675 -15.530 1.00 52.25 C ATOM 0 H LEU A 32 6.823 1.407 -19.231 1.00 42.13 H new ATOM 0 HA LEU A 32 5.199 3.183 -17.813 1.00 73.24 H new ATOM 0 HB2 LEU A 32 8.144 3.265 -18.569 1.00 54.31 H new ATOM 0 HB3 LEU A 32 7.413 4.402 -17.454 1.00 54.31 H new ATOM 0 HG LEU A 32 7.459 1.396 -17.033 1.00 11.23 H new ATOM 0 HD11 LEU A 32 9.218 1.841 -15.358 1.00 53.11 H new ATOM 0 HD12 LEU A 32 9.736 2.301 -16.997 1.00 53.11 H new ATOM 0 HD13 LEU A 32 9.235 3.554 -15.837 1.00 53.11 H new ATOM 0 HD21 LEU A 32 6.836 1.980 -14.714 1.00 52.25 H new ATOM 0 HD22 LEU A 32 6.759 3.698 -15.174 1.00 52.25 H new ATOM 0 HD23 LEU A 32 5.615 2.535 -15.884 1.00 52.25 H new ATOM 510 N VAL A 33 6.382 4.405 -20.654 1.00 0.43 N ATOM 511 CA VAL A 33 6.235 5.482 -21.646 1.00 2.33 C ATOM 512 C VAL A 33 4.762 5.753 -22.008 1.00 14.14 C ATOM 513 O VAL A 33 4.318 6.902 -22.031 1.00 20.55 O ATOM 514 CB VAL A 33 7.015 5.146 -22.944 1.00 23.35 C ATOM 515 CG1 VAL A 33 6.781 6.203 -24.023 1.00 54.15 C ATOM 516 CG2 VAL A 33 8.505 4.997 -22.650 1.00 64.05 C ATOM 0 H VAL A 33 7.003 3.651 -20.949 1.00 0.43 H new ATOM 0 HA VAL A 33 6.645 6.380 -21.184 1.00 2.33 H new ATOM 0 HB VAL A 33 6.639 4.196 -23.323 1.00 23.35 H new ATOM 0 HG11 VAL A 33 7.341 5.938 -24.920 1.00 54.15 H new ATOM 0 HG12 VAL A 33 5.718 6.251 -24.261 1.00 54.15 H new ATOM 0 HG13 VAL A 33 7.116 7.174 -23.659 1.00 54.15 H new ATOM 0 HG21 VAL A 33 9.036 4.761 -23.572 1.00 64.05 H new ATOM 0 HG22 VAL A 33 8.890 5.930 -22.238 1.00 64.05 H new ATOM 0 HG23 VAL A 33 8.655 4.193 -21.929 1.00 64.05 H new ATOM 526 N GLU A 34 4.015 4.687 -22.289 1.00 63.10 N ATOM 527 CA GLU A 34 2.623 4.806 -22.750 1.00 1.42 C ATOM 528 C GLU A 34 1.632 5.047 -21.593 1.00 24.44 C ATOM 529 O GLU A 34 0.597 5.691 -21.776 1.00 62.41 O ATOM 530 CB GLU A 34 2.226 3.546 -23.540 1.00 71.23 C ATOM 531 CG GLU A 34 2.408 2.245 -22.762 1.00 62.44 C ATOM 532 CD GLU A 34 2.161 1.003 -23.607 1.00 62.32 C ATOM 533 OE1 GLU A 34 3.100 0.547 -24.296 1.00 62.00 O ATOM 534 OE2 GLU A 34 1.034 0.473 -23.587 1.00 23.13 O ATOM 0 H GLU A 34 4.347 3.726 -22.207 1.00 63.10 H new ATOM 0 HA GLU A 34 2.569 5.681 -23.398 1.00 1.42 H new ATOM 0 HB2 GLU A 34 1.183 3.633 -23.844 1.00 71.23 H new ATOM 0 HB3 GLU A 34 2.821 3.499 -24.452 1.00 71.23 H new ATOM 0 HG2 GLU A 34 3.420 2.208 -22.360 1.00 62.44 H new ATOM 0 HG3 GLU A 34 1.727 2.239 -21.911 1.00 62.44 H new ATOM 541 N THR A 35 1.948 4.536 -20.405 1.00 25.50 N ATOM 542 CA THR A 35 1.041 4.647 -19.247 1.00 44.44 C ATOM 543 C THR A 35 1.321 5.894 -18.393 1.00 41.32 C ATOM 544 O THR A 35 0.414 6.434 -17.749 1.00 15.41 O ATOM 545 CB THR A 35 1.130 3.396 -18.343 1.00 52.43 C ATOM 546 OG1 THR A 35 2.472 3.227 -17.863 1.00 63.13 O ATOM 547 CG2 THR A 35 0.702 2.143 -19.103 1.00 2.13 C ATOM 0 H THR A 35 2.819 4.042 -20.212 1.00 25.50 H new ATOM 0 HA THR A 35 0.038 4.733 -19.664 1.00 44.44 H new ATOM 0 HB THR A 35 0.456 3.542 -17.499 1.00 52.43 H new ATOM 0 HG1 THR A 35 3.036 2.878 -18.584 1.00 63.13 H new ATOM 0 HG21 THR A 35 0.773 1.277 -18.446 1.00 2.13 H new ATOM 0 HG22 THR A 35 -0.328 2.257 -19.442 1.00 2.13 H new ATOM 0 HG23 THR A 35 1.354 1.999 -19.964 1.00 2.13 H new ATOM 555 N ASP A 36 2.574 6.343 -18.384 1.00 22.51 N ATOM 556 CA ASP A 36 2.981 7.518 -17.605 1.00 53.52 C ATOM 557 C ASP A 36 4.061 8.317 -18.371 1.00 61.21 C ATOM 558 O ASP A 36 5.260 8.184 -18.113 1.00 43.33 O ATOM 559 CB ASP A 36 3.491 7.071 -16.224 1.00 20.12 C ATOM 560 CG ASP A 36 3.362 8.160 -15.173 1.00 54.44 C ATOM 561 OD1 ASP A 36 2.216 8.477 -14.784 1.00 41.23 O ATOM 562 OD2 ASP A 36 4.391 8.697 -14.728 1.00 21.20 O ATOM 0 H ASP A 36 3.333 5.910 -18.910 1.00 22.51 H new ATOM 0 HA ASP A 36 2.123 8.174 -17.458 1.00 53.52 H new ATOM 0 HB2 ASP A 36 2.933 6.192 -15.902 1.00 20.12 H new ATOM 0 HB3 ASP A 36 4.536 6.772 -16.306 1.00 20.12 H new ATOM 567 N PRO A 37 3.632 9.150 -19.345 1.00 13.25 N ATOM 568 CA PRO A 37 4.547 9.829 -20.288 1.00 52.13 C ATOM 569 C PRO A 37 5.302 11.037 -19.699 1.00 13.43 C ATOM 570 O PRO A 37 6.351 11.428 -20.210 1.00 34.30 O ATOM 571 CB PRO A 37 3.596 10.283 -21.403 1.00 1.22 C ATOM 572 CG PRO A 37 2.297 10.522 -20.710 1.00 34.41 C ATOM 573 CD PRO A 37 2.216 9.490 -19.613 1.00 42.24 C ATOM 0 HA PRO A 37 5.351 9.163 -20.602 1.00 52.13 H new ATOM 0 HB2 PRO A 37 3.959 11.188 -21.890 1.00 1.22 H new ATOM 0 HB3 PRO A 37 3.499 9.521 -22.177 1.00 1.22 H new ATOM 0 HG2 PRO A 37 2.253 11.531 -20.301 1.00 34.41 H new ATOM 0 HG3 PRO A 37 1.461 10.422 -21.402 1.00 34.41 H new ATOM 0 HD2 PRO A 37 1.725 9.888 -18.725 1.00 42.24 H new ATOM 0 HD3 PRO A 37 1.647 8.615 -19.928 1.00 42.24 H new ATOM 581 N ASP A 38 4.773 11.638 -18.637 1.00 21.21 N ATOM 582 CA ASP A 38 5.408 12.821 -18.043 1.00 4.00 C ATOM 583 C ASP A 38 6.547 12.443 -17.077 1.00 73.53 C ATOM 584 O ASP A 38 7.302 13.308 -16.624 1.00 30.22 O ATOM 585 CB ASP A 38 4.361 13.706 -17.354 1.00 14.43 C ATOM 586 CG ASP A 38 3.490 12.941 -16.377 1.00 43.40 C ATOM 587 OD1 ASP A 38 2.619 12.166 -16.835 1.00 61.25 O ATOM 588 OD2 ASP A 38 3.652 13.129 -15.153 1.00 22.34 O ATOM 0 H ASP A 38 3.918 11.334 -18.172 1.00 21.21 H new ATOM 0 HA ASP A 38 5.861 13.393 -18.853 1.00 4.00 H new ATOM 0 HB2 ASP A 38 4.867 14.514 -16.826 1.00 14.43 H new ATOM 0 HB3 ASP A 38 3.728 14.168 -18.112 1.00 14.43 H new ATOM 593 N TYR A 39 6.684 11.151 -16.777 1.00 4.44 N ATOM 594 CA TYR A 39 7.797 10.672 -15.953 1.00 71.11 C ATOM 595 C TYR A 39 9.075 10.520 -16.799 1.00 30.24 C ATOM 596 O TYR A 39 9.336 9.468 -17.394 1.00 12.34 O ATOM 597 CB TYR A 39 7.434 9.343 -15.271 1.00 20.31 C ATOM 598 CG TYR A 39 8.510 8.815 -14.336 1.00 3.41 C ATOM 599 CD1 TYR A 39 9.104 9.644 -13.387 1.00 31.20 C ATOM 600 CD2 TYR A 39 8.925 7.489 -14.397 1.00 33.53 C ATOM 601 CE1 TYR A 39 10.086 9.170 -12.538 1.00 3.14 C ATOM 602 CE2 TYR A 39 9.904 7.007 -13.549 1.00 51.41 C ATOM 603 CZ TYR A 39 10.481 7.851 -12.620 1.00 11.30 C ATOM 604 OH TYR A 39 11.464 7.377 -11.779 1.00 44.14 O ATOM 0 H TYR A 39 6.044 10.421 -17.089 1.00 4.44 H new ATOM 0 HA TYR A 39 7.990 11.412 -15.176 1.00 71.11 H new ATOM 0 HB2 TYR A 39 6.510 9.476 -14.708 1.00 20.31 H new ATOM 0 HB3 TYR A 39 7.235 8.595 -16.038 1.00 20.31 H new ATOM 0 HD1 TYR A 39 8.792 10.675 -13.313 1.00 31.20 H new ATOM 0 HD2 TYR A 39 8.474 6.825 -15.119 1.00 33.53 H new ATOM 0 HE1 TYR A 39 10.542 9.829 -11.814 1.00 3.14 H new ATOM 0 HE2 TYR A 39 10.217 5.975 -13.612 1.00 51.41 H new ATOM 0 HH TYR A 39 11.935 6.634 -12.212 1.00 44.14 H new ATOM 614 N VAL A 40 9.863 11.592 -16.854 1.00 54.42 N ATOM 615 CA VAL A 40 11.083 11.638 -17.673 1.00 62.02 C ATOM 616 C VAL A 40 12.089 10.531 -17.296 1.00 31.52 C ATOM 617 O VAL A 40 12.852 10.055 -18.146 1.00 31.03 O ATOM 618 CB VAL A 40 11.770 13.021 -17.553 1.00 73.14 C ATOM 619 CG1 VAL A 40 12.977 13.115 -18.484 1.00 23.22 C ATOM 620 CG2 VAL A 40 10.772 14.144 -17.838 1.00 13.24 C ATOM 0 H VAL A 40 9.679 12.452 -16.337 1.00 54.42 H new ATOM 0 HA VAL A 40 10.771 11.469 -18.704 1.00 62.02 H new ATOM 0 HB VAL A 40 12.128 13.135 -16.530 1.00 73.14 H new ATOM 0 HG11 VAL A 40 13.441 14.096 -18.380 1.00 23.22 H new ATOM 0 HG12 VAL A 40 13.700 12.342 -18.222 1.00 23.22 H new ATOM 0 HG13 VAL A 40 12.653 12.974 -19.515 1.00 23.22 H new ATOM 0 HG21 VAL A 40 11.273 15.108 -17.749 1.00 13.24 H new ATOM 0 HG22 VAL A 40 10.377 14.032 -18.848 1.00 13.24 H new ATOM 0 HG23 VAL A 40 9.953 14.093 -17.121 1.00 13.24 H new ATOM 630 N GLY A 41 12.082 10.123 -16.025 1.00 62.01 N ATOM 631 CA GLY A 41 12.958 9.046 -15.567 1.00 11.31 C ATOM 632 C GLY A 41 12.874 7.787 -16.428 1.00 44.12 C ATOM 633 O GLY A 41 13.874 7.087 -16.623 1.00 75.42 O ATOM 0 H GLY A 41 11.484 10.520 -15.300 1.00 62.01 H new ATOM 0 HA2 GLY A 41 13.988 9.404 -15.559 1.00 11.31 H new ATOM 0 HA3 GLY A 41 12.701 8.792 -14.539 1.00 11.31 H new ATOM 637 N THR A 42 11.682 7.508 -16.950 1.00 42.31 N ATOM 638 CA THR A 42 11.468 6.363 -17.839 1.00 73.32 C ATOM 639 C THR A 42 12.332 6.460 -19.101 1.00 54.14 C ATOM 640 O THR A 42 13.134 5.571 -19.386 1.00 11.33 O ATOM 641 CB THR A 42 9.986 6.254 -18.267 1.00 5.54 C ATOM 642 OG1 THR A 42 9.159 5.994 -17.126 1.00 51.23 O ATOM 643 CG2 THR A 42 9.791 5.155 -19.306 1.00 11.14 C ATOM 0 H THR A 42 10.844 8.061 -16.773 1.00 42.31 H new ATOM 0 HA THR A 42 11.753 5.476 -17.273 1.00 73.32 H new ATOM 0 HB THR A 42 9.696 7.205 -18.715 1.00 5.54 H new ATOM 0 HG1 THR A 42 9.438 6.568 -16.382 1.00 51.23 H new ATOM 0 HG21 THR A 42 8.739 5.103 -19.587 1.00 11.14 H new ATOM 0 HG22 THR A 42 10.392 5.377 -20.188 1.00 11.14 H new ATOM 0 HG23 THR A 42 10.103 4.198 -18.887 1.00 11.14 H new ATOM 651 N TYR A 43 12.173 7.557 -19.841 1.00 52.53 N ATOM 652 CA TYR A 43 12.863 7.744 -21.125 1.00 5.12 C ATOM 653 C TYR A 43 14.389 7.681 -20.970 1.00 74.22 C ATOM 654 O TYR A 43 15.082 7.093 -21.801 1.00 44.24 O ATOM 655 CB TYR A 43 12.464 9.086 -21.751 1.00 43.24 C ATOM 656 CG TYR A 43 10.980 9.204 -22.050 1.00 34.30 C ATOM 657 CD1 TYR A 43 10.452 8.723 -23.243 1.00 74.23 C ATOM 658 CD2 TYR A 43 10.109 9.792 -21.138 1.00 54.13 C ATOM 659 CE1 TYR A 43 9.103 8.826 -23.519 1.00 51.21 C ATOM 660 CE2 TYR A 43 8.759 9.898 -21.408 1.00 41.02 C ATOM 661 CZ TYR A 43 8.260 9.415 -22.599 1.00 73.41 C ATOM 662 OH TYR A 43 6.914 9.525 -22.874 1.00 63.45 O ATOM 0 H TYR A 43 11.570 8.335 -19.575 1.00 52.53 H new ATOM 0 HA TYR A 43 12.558 6.928 -21.779 1.00 5.12 H new ATOM 0 HB2 TYR A 43 12.755 9.892 -21.077 1.00 43.24 H new ATOM 0 HB3 TYR A 43 13.024 9.226 -22.676 1.00 43.24 H new ATOM 0 HD1 TYR A 43 11.108 8.261 -23.966 1.00 74.23 H new ATOM 0 HD2 TYR A 43 10.495 10.172 -20.204 1.00 54.13 H new ATOM 0 HE1 TYR A 43 8.709 8.447 -24.451 1.00 51.21 H new ATOM 0 HE2 TYR A 43 8.097 10.357 -20.689 1.00 41.02 H new ATOM 0 HH TYR A 43 6.761 9.367 -23.829 1.00 63.45 H new ATOM 672 N TYR A 44 14.899 8.289 -19.901 1.00 22.32 N ATOM 673 CA TYR A 44 16.339 8.300 -19.626 1.00 21.53 C ATOM 674 C TYR A 44 16.903 6.872 -19.528 1.00 25.13 C ATOM 675 O TYR A 44 17.815 6.501 -20.263 1.00 13.23 O ATOM 676 CB TYR A 44 16.616 9.067 -18.323 1.00 61.43 C ATOM 677 CG TYR A 44 18.091 9.185 -17.965 1.00 3.23 C ATOM 678 CD1 TYR A 44 18.859 10.252 -18.422 1.00 34.12 C ATOM 679 CD2 TYR A 44 18.712 8.231 -17.163 1.00 64.24 C ATOM 680 CE1 TYR A 44 20.197 10.363 -18.091 1.00 13.10 C ATOM 681 CE2 TYR A 44 20.048 8.338 -16.827 1.00 51.32 C ATOM 682 CZ TYR A 44 20.786 9.404 -17.294 1.00 5.52 C ATOM 683 OH TYR A 44 22.118 9.516 -16.956 1.00 14.33 O ATOM 0 H TYR A 44 14.337 8.783 -19.208 1.00 22.32 H new ATOM 0 HA TYR A 44 16.838 8.801 -20.456 1.00 21.53 H new ATOM 0 HB2 TYR A 44 16.194 10.068 -18.408 1.00 61.43 H new ATOM 0 HB3 TYR A 44 16.095 8.570 -17.505 1.00 61.43 H new ATOM 0 HD1 TYR A 44 18.402 11.006 -19.046 1.00 34.12 H new ATOM 0 HD2 TYR A 44 18.139 7.392 -16.797 1.00 64.24 H new ATOM 0 HE1 TYR A 44 20.778 11.197 -18.455 1.00 13.10 H new ATOM 0 HE2 TYR A 44 20.512 7.590 -16.201 1.00 51.32 H new ATOM 0 HH TYR A 44 22.376 8.759 -16.389 1.00 14.33 H new ATOM 693 N HIS A 45 16.342 6.070 -18.625 1.00 11.12 N ATOM 694 CA HIS A 45 16.840 4.708 -18.387 1.00 52.44 C ATOM 695 C HIS A 45 16.464 3.744 -19.527 1.00 53.13 C ATOM 696 O HIS A 45 17.193 2.790 -19.803 1.00 44.40 O ATOM 697 CB HIS A 45 16.338 4.190 -17.035 1.00 4.44 C ATOM 698 CG HIS A 45 16.920 4.938 -15.872 1.00 43.22 C ATOM 699 ND1 HIS A 45 18.000 4.481 -15.147 1.00 35.32 N ATOM 700 CD2 HIS A 45 16.582 6.129 -15.319 1.00 21.01 C ATOM 701 CE1 HIS A 45 18.299 5.353 -14.204 1.00 42.22 C ATOM 702 NE2 HIS A 45 17.457 6.361 -14.286 1.00 31.22 N ATOM 0 H HIS A 45 15.545 6.334 -18.046 1.00 11.12 H new ATOM 0 HA HIS A 45 17.929 4.753 -18.363 1.00 52.44 H new ATOM 0 HB2 HIS A 45 15.251 4.267 -17.003 1.00 4.44 H new ATOM 0 HB3 HIS A 45 16.586 3.133 -16.942 1.00 4.44 H new ATOM 0 HD2 HIS A 45 15.775 6.775 -15.632 1.00 21.01 H new ATOM 0 HE1 HIS A 45 19.100 5.256 -13.486 1.00 42.22 H new ATOM 0 HE2 HIS A 45 17.455 7.182 -13.680 1.00 31.22 H new ATOM 711 N LEU A 46 15.336 3.999 -20.190 1.00 22.00 N ATOM 712 CA LEU A 46 14.940 3.218 -21.370 1.00 33.32 C ATOM 713 C LEU A 46 15.996 3.346 -22.481 1.00 12.33 C ATOM 714 O LEU A 46 16.419 2.351 -23.077 1.00 61.44 O ATOM 715 CB LEU A 46 13.568 3.687 -21.883 1.00 34.42 C ATOM 716 CG LEU A 46 13.087 3.035 -23.194 1.00 21.12 C ATOM 717 CD1 LEU A 46 13.008 1.516 -23.056 1.00 35.32 C ATOM 718 CD2 LEU A 46 11.736 3.606 -23.615 1.00 41.23 C ATOM 0 H LEU A 46 14.680 4.737 -19.934 1.00 22.00 H new ATOM 0 HA LEU A 46 14.867 2.169 -21.082 1.00 33.32 H new ATOM 0 HB2 LEU A 46 12.826 3.494 -21.109 1.00 34.42 H new ATOM 0 HB3 LEU A 46 13.604 4.767 -22.028 1.00 34.42 H new ATOM 0 HG LEU A 46 13.817 3.265 -23.970 1.00 21.12 H new ATOM 0 HD11 LEU A 46 12.666 1.083 -23.996 1.00 35.32 H new ATOM 0 HD12 LEU A 46 13.994 1.121 -22.812 1.00 35.32 H new ATOM 0 HD13 LEU A 46 12.307 1.259 -22.262 1.00 35.32 H new ATOM 0 HD21 LEU A 46 11.414 3.133 -24.543 1.00 41.23 H new ATOM 0 HD22 LEU A 46 11.000 3.413 -22.835 1.00 41.23 H new ATOM 0 HD23 LEU A 46 11.827 4.681 -23.769 1.00 41.23 H new ATOM 730 N GLY A 47 16.426 4.581 -22.741 1.00 50.40 N ATOM 731 CA GLY A 47 17.486 4.822 -23.712 1.00 63.23 C ATOM 732 C GLY A 47 18.795 4.132 -23.342 1.00 71.40 C ATOM 733 O GLY A 47 19.445 3.522 -24.194 1.00 25.40 O ATOM 0 H GLY A 47 16.058 5.422 -22.295 1.00 50.40 H new ATOM 0 HA2 GLY A 47 17.161 4.473 -24.692 1.00 63.23 H new ATOM 0 HA3 GLY A 47 17.658 5.895 -23.797 1.00 63.23 H new ATOM 737 N LYS A 48 19.175 4.219 -22.063 1.00 62.31 N ATOM 738 CA LYS A 48 20.393 3.557 -21.572 1.00 13.51 C ATOM 739 C LYS A 48 20.344 2.042 -21.833 1.00 33.55 C ATOM 740 O LYS A 48 21.364 1.422 -22.148 1.00 75.41 O ATOM 741 CB LYS A 48 20.592 3.807 -20.066 1.00 1.23 C ATOM 742 CG LYS A 48 20.553 5.275 -19.644 1.00 60.42 C ATOM 743 CD LYS A 48 21.586 6.148 -20.361 1.00 71.20 C ATOM 744 CE LYS A 48 23.030 5.761 -20.041 1.00 44.22 C ATOM 745 NZ LYS A 48 23.482 4.565 -20.800 1.00 10.23 N ATOM 0 H LYS A 48 18.661 4.738 -21.351 1.00 62.31 H new ATOM 0 HA LYS A 48 21.234 3.985 -22.118 1.00 13.51 H new ATOM 0 HB2 LYS A 48 19.820 3.267 -19.518 1.00 1.23 H new ATOM 0 HB3 LYS A 48 21.551 3.384 -19.766 1.00 1.23 H new ATOM 0 HG2 LYS A 48 19.557 5.673 -19.837 1.00 60.42 H new ATOM 0 HG3 LYS A 48 20.719 5.340 -18.569 1.00 60.42 H new ATOM 0 HD2 LYS A 48 21.428 6.077 -21.437 1.00 71.20 H new ATOM 0 HD3 LYS A 48 21.426 7.190 -20.084 1.00 71.20 H new ATOM 0 HE2 LYS A 48 23.686 6.601 -20.269 1.00 44.22 H new ATOM 0 HE3 LYS A 48 23.122 5.565 -18.973 1.00 44.22 H new ATOM 0 HZ1 LYS A 48 24.509 4.618 -20.952 1.00 10.23 H new ATOM 0 HZ2 LYS A 48 23.256 3.705 -20.260 1.00 10.23 H new ATOM 0 HZ3 LYS A 48 22.997 4.534 -21.719 1.00 10.23 H new ATOM 759 N LEU A 49 19.158 1.451 -21.692 1.00 61.13 N ATOM 760 CA LEU A 49 18.967 0.024 -21.971 1.00 64.40 C ATOM 761 C LEU A 49 19.130 -0.273 -23.469 1.00 1.44 C ATOM 762 O LEU A 49 19.739 -1.275 -23.850 1.00 14.34 O ATOM 763 CB LEU A 49 17.589 -0.438 -21.474 1.00 74.54 C ATOM 764 CG LEU A 49 17.242 -1.915 -21.742 1.00 10.22 C ATOM 765 CD1 LEU A 49 18.363 -2.838 -21.262 1.00 41.32 C ATOM 766 CD2 LEU A 49 15.921 -2.280 -21.069 1.00 32.52 C ATOM 0 H LEU A 49 18.314 1.936 -21.387 1.00 61.13 H new ATOM 0 HA LEU A 49 19.735 -0.533 -21.434 1.00 64.40 H new ATOM 0 HB2 LEU A 49 17.532 -0.260 -20.400 1.00 74.54 H new ATOM 0 HB3 LEU A 49 16.827 0.186 -21.941 1.00 74.54 H new ATOM 0 HG LEU A 49 17.134 -2.050 -22.818 1.00 10.22 H new ATOM 0 HD11 LEU A 49 18.092 -3.874 -21.463 1.00 41.32 H new ATOM 0 HD12 LEU A 49 19.285 -2.595 -21.790 1.00 41.32 H new ATOM 0 HD13 LEU A 49 18.512 -2.703 -20.191 1.00 41.32 H new ATOM 0 HD21 LEU A 49 15.689 -3.326 -21.267 1.00 32.52 H new ATOM 0 HD22 LEU A 49 16.005 -2.124 -19.993 1.00 32.52 H new ATOM 0 HD23 LEU A 49 15.125 -1.650 -21.465 1.00 32.52 H new ATOM 778 N TYR A 50 18.593 0.601 -24.320 1.00 2.24 N ATOM 779 CA TYR A 50 18.791 0.476 -25.767 1.00 11.24 C ATOM 780 C TYR A 50 20.288 0.537 -26.129 1.00 31.21 C ATOM 781 O TYR A 50 20.763 -0.223 -26.977 1.00 12.42 O ATOM 782 CB TYR A 50 18.015 1.564 -26.524 1.00 60.03 C ATOM 783 CG TYR A 50 16.512 1.339 -26.590 1.00 41.25 C ATOM 784 CD1 TYR A 50 15.988 0.089 -26.917 1.00 61.32 C ATOM 785 CD2 TYR A 50 15.617 2.376 -26.344 1.00 71.34 C ATOM 786 CE1 TYR A 50 14.624 -0.119 -26.993 1.00 42.42 C ATOM 787 CE2 TYR A 50 14.251 2.175 -26.422 1.00 14.41 C ATOM 788 CZ TYR A 50 13.759 0.926 -26.746 1.00 2.03 C ATOM 789 OH TYR A 50 12.397 0.723 -26.831 1.00 10.02 O ATOM 0 H TYR A 50 18.022 1.397 -24.037 1.00 2.24 H new ATOM 0 HA TYR A 50 18.405 -0.497 -26.070 1.00 11.24 H new ATOM 0 HB2 TYR A 50 18.205 2.526 -26.047 1.00 60.03 H new ATOM 0 HB3 TYR A 50 18.404 1.630 -27.540 1.00 60.03 H new ATOM 0 HD1 TYR A 50 16.661 -0.732 -27.115 1.00 61.32 H new ATOM 0 HD2 TYR A 50 15.996 3.354 -26.088 1.00 71.34 H new ATOM 0 HE1 TYR A 50 14.237 -1.095 -27.245 1.00 42.42 H new ATOM 0 HE2 TYR A 50 13.571 2.992 -26.230 1.00 14.41 H new ATOM 0 HH TYR A 50 12.193 -0.214 -26.629 1.00 10.02 H new ATOM 799 N GLU A 51 21.023 1.435 -25.467 1.00 22.01 N ATOM 800 CA GLU A 51 22.480 1.546 -25.645 1.00 60.15 C ATOM 801 C GLU A 51 23.208 0.254 -25.219 1.00 35.31 C ATOM 802 O GLU A 51 24.352 0.016 -25.609 1.00 70.22 O ATOM 803 CB GLU A 51 23.041 2.729 -24.837 1.00 13.34 C ATOM 804 CG GLU A 51 22.504 4.099 -25.242 1.00 22.14 C ATOM 805 CD GLU A 51 23.177 5.230 -24.475 1.00 4.24 C ATOM 806 OE1 GLU A 51 22.731 5.559 -23.354 1.00 64.14 O ATOM 807 OE2 GLU A 51 24.179 5.780 -24.970 1.00 5.20 O ATOM 0 H GLU A 51 20.634 2.100 -24.799 1.00 22.01 H new ATOM 0 HA GLU A 51 22.657 1.712 -26.708 1.00 60.15 H new ATOM 0 HB2 GLU A 51 22.820 2.566 -23.782 1.00 13.34 H new ATOM 0 HB3 GLU A 51 24.126 2.736 -24.938 1.00 13.34 H new ATOM 0 HG2 GLU A 51 22.657 4.246 -26.311 1.00 22.14 H new ATOM 0 HG3 GLU A 51 21.429 4.132 -25.066 1.00 22.14 H new ATOM 814 N ARG A 52 22.559 -0.547 -24.376 1.00 31.02 N ATOM 815 CA ARG A 52 23.120 -1.826 -23.912 1.00 64.05 C ATOM 816 C ARG A 52 22.861 -2.955 -24.931 1.00 25.13 C ATOM 817 O ARG A 52 23.554 -3.976 -24.940 1.00 21.34 O ATOM 818 CB ARG A 52 22.498 -2.193 -22.551 1.00 53.31 C ATOM 819 CG ARG A 52 23.189 -3.347 -21.820 1.00 4.54 C ATOM 820 CD ARG A 52 22.488 -3.681 -20.500 1.00 41.30 C ATOM 821 NE ARG A 52 23.262 -4.606 -19.673 1.00 24.04 N ATOM 822 CZ ARG A 52 22.793 -5.245 -18.628 1.00 51.24 C ATOM 823 NH1 ARG A 52 21.551 -5.131 -18.273 1.00 30.23 N ATOM 824 NH2 ARG A 52 23.578 -6.006 -17.942 1.00 13.23 N ATOM 0 H ARG A 52 21.637 -0.335 -23.995 1.00 31.02 H new ATOM 0 HA ARG A 52 24.199 -1.712 -23.807 1.00 64.05 H new ATOM 0 HB2 ARG A 52 22.517 -1.312 -21.909 1.00 53.31 H new ATOM 0 HB3 ARG A 52 21.451 -2.454 -22.704 1.00 53.31 H new ATOM 0 HG2 ARG A 52 23.199 -4.229 -22.460 1.00 4.54 H new ATOM 0 HG3 ARG A 52 24.228 -3.083 -21.624 1.00 4.54 H new ATOM 0 HD2 ARG A 52 22.312 -2.761 -19.943 1.00 41.30 H new ATOM 0 HD3 ARG A 52 21.512 -4.117 -20.711 1.00 41.30 H new ATOM 0 HE ARG A 52 24.237 -4.766 -19.927 1.00 24.04 H new ATOM 0 HH11 ARG A 52 20.920 -4.536 -18.810 1.00 30.23 H new ATOM 0 HH12 ARG A 52 21.205 -5.636 -17.457 1.00 30.23 H new ATOM 0 HH21 ARG A 52 24.556 -6.107 -18.214 1.00 13.23 H new ATOM 0 HH22 ARG A 52 23.220 -6.506 -17.128 1.00 13.23 H new ATOM 838 N LEU A 53 21.861 -2.757 -25.792 1.00 21.54 N ATOM 839 CA LEU A 53 21.422 -3.797 -26.736 1.00 61.11 C ATOM 840 C LEU A 53 21.638 -3.387 -28.210 1.00 4.51 C ATOM 841 O LEU A 53 20.920 -3.856 -29.097 1.00 41.41 O ATOM 842 CB LEU A 53 19.933 -4.105 -26.495 1.00 45.41 C ATOM 843 CG LEU A 53 19.574 -4.577 -25.073 1.00 52.45 C ATOM 844 CD1 LEU A 53 18.064 -4.775 -24.928 1.00 40.43 C ATOM 845 CD2 LEU A 53 20.322 -5.863 -24.727 1.00 61.23 C ATOM 0 H LEU A 53 21.336 -1.885 -25.858 1.00 21.54 H new ATOM 0 HA LEU A 53 22.030 -4.684 -26.557 1.00 61.11 H new ATOM 0 HB2 LEU A 53 19.354 -3.209 -26.718 1.00 45.41 H new ATOM 0 HB3 LEU A 53 19.619 -4.872 -27.203 1.00 45.41 H new ATOM 0 HG LEU A 53 19.882 -3.802 -24.372 1.00 52.45 H new ATOM 0 HD11 LEU A 53 17.836 -5.108 -23.915 1.00 40.43 H new ATOM 0 HD12 LEU A 53 17.553 -3.832 -25.123 1.00 40.43 H new ATOM 0 HD13 LEU A 53 17.725 -5.526 -25.642 1.00 40.43 H new ATOM 0 HD21 LEU A 53 20.055 -6.179 -23.719 1.00 61.23 H new ATOM 0 HD22 LEU A 53 20.050 -6.644 -25.437 1.00 61.23 H new ATOM 0 HD23 LEU A 53 21.396 -5.684 -24.778 1.00 61.23 H new ATOM 857 N ASP A 54 22.625 -2.517 -28.466 1.00 55.54 N ATOM 858 CA ASP A 54 22.956 -2.067 -29.837 1.00 62.13 C ATOM 859 C ASP A 54 21.807 -1.260 -30.487 1.00 62.15 C ATOM 860 O ASP A 54 21.885 -0.862 -31.653 1.00 63.34 O ATOM 861 CB ASP A 54 23.342 -3.279 -30.706 1.00 44.33 C ATOM 862 CG ASP A 54 23.815 -2.900 -32.101 1.00 0.30 C ATOM 863 OD1 ASP A 54 24.896 -2.284 -32.225 1.00 63.14 O ATOM 864 OD2 ASP A 54 23.127 -3.245 -33.086 1.00 35.11 O ATOM 0 H ASP A 54 23.214 -2.106 -27.742 1.00 55.54 H new ATOM 0 HA ASP A 54 23.807 -1.390 -29.768 1.00 62.13 H new ATOM 0 HB2 ASP A 54 24.130 -3.840 -30.204 1.00 44.33 H new ATOM 0 HB3 ASP A 54 22.482 -3.944 -30.791 1.00 44.33 H new ATOM 869 N ARG A 55 20.760 -0.979 -29.718 1.00 53.13 N ATOM 870 CA ARG A 55 19.587 -0.264 -30.236 1.00 35.35 C ATOM 871 C ARG A 55 19.800 1.264 -30.192 1.00 64.32 C ATOM 872 O ARG A 55 18.939 2.010 -29.722 1.00 20.42 O ATOM 873 CB ARG A 55 18.342 -0.651 -29.419 1.00 33.11 C ATOM 874 CG ARG A 55 18.050 -2.152 -29.386 1.00 33.11 C ATOM 875 CD ARG A 55 17.649 -2.697 -30.756 1.00 42.13 C ATOM 876 NE ARG A 55 16.452 -2.038 -31.278 1.00 15.34 N ATOM 877 CZ ARG A 55 15.447 -2.655 -31.844 1.00 1.24 C ATOM 878 NH1 ARG A 55 15.439 -3.945 -31.966 1.00 51.51 N ATOM 879 NH2 ARG A 55 14.443 -1.974 -32.288 1.00 1.22 N ATOM 0 H ARG A 55 20.695 -1.234 -28.732 1.00 53.13 H new ATOM 0 HA ARG A 55 19.441 -0.551 -31.277 1.00 35.35 H new ATOM 0 HB2 ARG A 55 18.468 -0.295 -28.396 1.00 33.11 H new ATOM 0 HB3 ARG A 55 17.476 -0.134 -29.832 1.00 33.11 H new ATOM 0 HG2 ARG A 55 18.933 -2.683 -29.031 1.00 33.11 H new ATOM 0 HG3 ARG A 55 17.251 -2.348 -28.672 1.00 33.11 H new ATOM 0 HD2 ARG A 55 18.473 -2.560 -31.456 1.00 42.13 H new ATOM 0 HD3 ARG A 55 17.469 -3.769 -30.681 1.00 42.13 H new ATOM 0 HE ARG A 55 16.397 -1.023 -31.195 1.00 15.34 H new ATOM 0 HH11 ARG A 55 16.224 -4.495 -31.618 1.00 51.51 H new ATOM 0 HH12 ARG A 55 14.647 -4.410 -32.410 1.00 51.51 H new ATOM 0 HH21 ARG A 55 14.435 -0.958 -32.197 1.00 1.22 H new ATOM 0 HH22 ARG A 55 13.658 -2.452 -32.730 1.00 1.22 H new ATOM 893 N THR A 56 20.950 1.723 -30.697 1.00 72.41 N ATOM 894 CA THR A 56 21.288 3.158 -30.712 1.00 52.13 C ATOM 895 C THR A 56 20.205 3.999 -31.387 1.00 43.00 C ATOM 896 O THR A 56 19.733 4.984 -30.824 1.00 1.21 O ATOM 897 CB THR A 56 22.618 3.425 -31.454 1.00 73.31 C ATOM 898 OG1 THR A 56 22.614 2.734 -32.711 1.00 65.44 O ATOM 899 CG2 THR A 56 23.822 2.999 -30.622 1.00 54.10 C ATOM 0 H THR A 56 21.667 1.122 -31.103 1.00 72.41 H new ATOM 0 HA THR A 56 21.377 3.446 -29.664 1.00 52.13 H new ATOM 0 HB THR A 56 22.702 4.498 -31.626 1.00 73.31 H new ATOM 0 HG1 THR A 56 23.457 2.905 -33.181 1.00 65.44 H new ATOM 0 HG21 THR A 56 24.738 3.202 -31.177 1.00 54.10 H new ATOM 0 HG22 THR A 56 23.833 3.557 -29.686 1.00 54.10 H new ATOM 0 HG23 THR A 56 23.757 1.932 -30.407 1.00 54.10 H new ATOM 907 N ASP A 57 19.816 3.602 -32.594 1.00 32.33 N ATOM 908 CA ASP A 57 18.803 4.327 -33.361 1.00 12.11 C ATOM 909 C ASP A 57 17.508 4.519 -32.543 1.00 2.31 C ATOM 910 O ASP A 57 16.926 5.609 -32.522 1.00 33.02 O ATOM 911 CB ASP A 57 18.520 3.576 -34.668 1.00 11.34 C ATOM 912 CG ASP A 57 17.582 4.328 -35.595 1.00 3.25 C ATOM 913 OD1 ASP A 57 17.901 5.476 -35.969 1.00 15.31 O ATOM 914 OD2 ASP A 57 16.529 3.774 -35.964 1.00 0.35 O ATOM 0 H ASP A 57 20.188 2.778 -33.066 1.00 32.33 H new ATOM 0 HA ASP A 57 19.185 5.321 -33.594 1.00 12.11 H new ATOM 0 HB2 ASP A 57 19.462 3.391 -35.185 1.00 11.34 H new ATOM 0 HB3 ASP A 57 18.088 2.603 -34.435 1.00 11.34 H new ATOM 919 N ASP A 58 17.082 3.459 -31.855 1.00 52.14 N ATOM 920 CA ASP A 58 15.903 3.511 -30.982 1.00 13.42 C ATOM 921 C ASP A 58 16.152 4.417 -29.763 1.00 61.24 C ATOM 922 O ASP A 58 15.280 5.188 -29.357 1.00 40.52 O ATOM 923 CB ASP A 58 15.544 2.098 -30.511 1.00 63.14 C ATOM 924 CG ASP A 58 15.497 1.112 -31.661 1.00 35.12 C ATOM 925 OD1 ASP A 58 16.576 0.662 -32.102 1.00 42.23 O ATOM 926 OD2 ASP A 58 14.394 0.780 -32.133 1.00 1.11 O ATOM 0 H ASP A 58 17.538 2.547 -31.884 1.00 52.14 H new ATOM 0 HA ASP A 58 15.075 3.929 -31.554 1.00 13.42 H new ATOM 0 HB2 ASP A 58 16.276 1.764 -29.776 1.00 63.14 H new ATOM 0 HB3 ASP A 58 14.576 2.118 -30.010 1.00 63.14 H new ATOM 931 N ALA A 59 17.349 4.310 -29.180 1.00 43.44 N ATOM 932 CA ALA A 59 17.736 5.138 -28.031 1.00 31.42 C ATOM 933 C ALA A 59 17.686 6.630 -28.379 1.00 4.24 C ATOM 934 O ALA A 59 17.001 7.405 -27.719 1.00 52.40 O ATOM 935 CB ALA A 59 19.133 4.755 -27.544 1.00 33.12 C ATOM 0 H ALA A 59 18.070 3.656 -29.485 1.00 43.44 H new ATOM 0 HA ALA A 59 17.020 4.954 -27.230 1.00 31.42 H new ATOM 0 HB1 ALA A 59 19.405 5.378 -26.692 1.00 33.12 H new ATOM 0 HB2 ALA A 59 19.139 3.707 -27.244 1.00 33.12 H new ATOM 0 HB3 ALA A 59 19.853 4.906 -28.348 1.00 33.12 H new ATOM 941 N ILE A 60 18.398 7.012 -29.435 1.00 62.14 N ATOM 942 CA ILE A 60 18.451 8.405 -29.888 1.00 22.15 C ATOM 943 C ILE A 60 17.039 8.961 -30.154 1.00 21.33 C ATOM 944 O ILE A 60 16.717 10.084 -29.759 1.00 45.20 O ATOM 945 CB ILE A 60 19.318 8.532 -31.169 1.00 21.13 C ATOM 946 CG1 ILE A 60 20.728 7.960 -30.922 1.00 75.53 C ATOM 947 CG2 ILE A 60 19.408 9.988 -31.624 1.00 31.11 C ATOM 948 CD1 ILE A 60 21.608 7.934 -32.157 1.00 61.42 C ATOM 0 H ILE A 60 18.953 6.371 -30.001 1.00 62.14 H new ATOM 0 HA ILE A 60 18.907 8.992 -29.091 1.00 22.15 H new ATOM 0 HB ILE A 60 18.840 7.956 -31.961 1.00 21.13 H new ATOM 0 HG12 ILE A 60 21.219 8.553 -30.151 1.00 75.53 H new ATOM 0 HG13 ILE A 60 20.635 6.946 -30.533 1.00 75.53 H new ATOM 0 HG21 ILE A 60 20.021 10.051 -32.523 1.00 31.11 H new ATOM 0 HG22 ILE A 60 18.408 10.364 -31.839 1.00 31.11 H new ATOM 0 HG23 ILE A 60 19.860 10.589 -30.834 1.00 31.11 H new ATOM 0 HD11 ILE A 60 22.582 7.518 -31.901 1.00 61.42 H new ATOM 0 HD12 ILE A 60 21.140 7.317 -32.924 1.00 61.42 H new ATOM 0 HD13 ILE A 60 21.734 8.948 -32.535 1.00 61.42 H new ATOM 960 N ASP A 61 16.197 8.157 -30.805 1.00 64.32 N ATOM 961 CA ASP A 61 14.797 8.526 -31.050 1.00 10.54 C ATOM 962 C ASP A 61 14.034 8.719 -29.726 1.00 13.12 C ATOM 963 O ASP A 61 13.316 9.705 -29.543 1.00 73.21 O ATOM 964 CB ASP A 61 14.120 7.444 -31.901 1.00 74.33 C ATOM 965 CG ASP A 61 12.651 7.732 -32.158 1.00 62.43 C ATOM 966 OD1 ASP A 61 12.336 8.437 -33.138 1.00 30.11 O ATOM 967 OD2 ASP A 61 11.799 7.256 -31.379 1.00 55.43 O ATOM 0 H ASP A 61 16.459 7.243 -31.174 1.00 64.32 H new ATOM 0 HA ASP A 61 14.778 9.474 -31.588 1.00 10.54 H new ATOM 0 HB2 ASP A 61 14.641 7.359 -32.855 1.00 74.33 H new ATOM 0 HB3 ASP A 61 14.215 6.481 -31.399 1.00 74.33 H new ATOM 972 N THR A 62 14.202 7.770 -28.807 1.00 54.14 N ATOM 973 CA THR A 62 13.561 7.836 -27.486 1.00 24.23 C ATOM 974 C THR A 62 14.026 9.072 -26.699 1.00 55.13 C ATOM 975 O THR A 62 13.231 9.724 -26.016 1.00 72.55 O ATOM 976 CB THR A 62 13.850 6.555 -26.662 1.00 75.12 C ATOM 977 OG1 THR A 62 13.350 5.399 -27.359 1.00 62.32 O ATOM 978 CG2 THR A 62 13.217 6.624 -25.275 1.00 34.24 C ATOM 0 H THR A 62 14.779 6.941 -28.950 1.00 54.14 H new ATOM 0 HA THR A 62 12.487 7.914 -27.654 1.00 24.23 H new ATOM 0 HB THR A 62 14.930 6.477 -26.540 1.00 75.12 H new ATOM 0 HG1 THR A 62 13.939 5.192 -28.115 1.00 62.32 H new ATOM 0 HG21 THR A 62 13.441 5.709 -24.727 1.00 34.24 H new ATOM 0 HG22 THR A 62 13.620 7.479 -24.733 1.00 34.24 H new ATOM 0 HG23 THR A 62 12.137 6.733 -25.373 1.00 34.24 H new ATOM 986 N TYR A 63 15.316 9.397 -26.807 1.00 12.30 N ATOM 987 CA TYR A 63 15.862 10.608 -26.186 1.00 32.11 C ATOM 988 C TYR A 63 15.277 11.869 -26.834 1.00 3.24 C ATOM 989 O TYR A 63 15.007 12.847 -26.150 1.00 51.24 O ATOM 990 CB TYR A 63 17.396 10.643 -26.288 1.00 54.02 C ATOM 991 CG TYR A 63 18.111 9.618 -25.423 1.00 24.20 C ATOM 992 CD1 TYR A 63 17.883 9.556 -24.051 1.00 61.34 C ATOM 993 CD2 TYR A 63 19.019 8.719 -25.976 1.00 71.25 C ATOM 994 CE1 TYR A 63 18.536 8.630 -23.261 1.00 52.03 C ATOM 995 CE2 TYR A 63 19.675 7.792 -25.192 1.00 3.03 C ATOM 996 CZ TYR A 63 19.431 7.750 -23.837 1.00 14.43 C ATOM 997 OH TYR A 63 20.085 6.829 -23.053 1.00 70.10 O ATOM 0 H TYR A 63 16.002 8.840 -27.317 1.00 12.30 H new ATOM 0 HA TYR A 63 15.581 10.586 -25.133 1.00 32.11 H new ATOM 0 HB2 TYR A 63 17.682 10.484 -27.328 1.00 54.02 H new ATOM 0 HB3 TYR A 63 17.743 11.638 -26.011 1.00 54.02 H new ATOM 0 HD1 TYR A 63 17.184 10.243 -23.597 1.00 61.34 H new ATOM 0 HD2 TYR A 63 19.213 8.748 -27.038 1.00 71.25 H new ATOM 0 HE1 TYR A 63 18.348 8.594 -22.198 1.00 52.03 H new ATOM 0 HE2 TYR A 63 20.376 7.103 -25.639 1.00 3.03 H new ATOM 0 HH TYR A 63 20.956 6.621 -23.450 1.00 70.10 H new ATOM 1007 N ALA A 64 15.082 11.836 -28.153 1.00 24.42 N ATOM 1008 CA ALA A 64 14.509 12.971 -28.889 1.00 62.41 C ATOM 1009 C ALA A 64 13.158 13.408 -28.297 1.00 74.40 C ATOM 1010 O ALA A 64 12.980 14.568 -27.910 1.00 21.23 O ATOM 1011 CB ALA A 64 14.348 12.610 -30.360 1.00 51.03 C ATOM 0 H ALA A 64 15.313 11.033 -28.738 1.00 24.42 H new ATOM 0 HA ALA A 64 15.197 13.811 -28.796 1.00 62.41 H new ATOM 0 HB1 ALA A 64 13.923 13.457 -30.898 1.00 51.03 H new ATOM 0 HB2 ALA A 64 15.322 12.364 -30.783 1.00 51.03 H new ATOM 0 HB3 ALA A 64 13.684 11.751 -30.453 1.00 51.03 H new ATOM 1017 N GLN A 65 12.214 12.469 -28.223 1.00 31.44 N ATOM 1018 CA GLN A 65 10.904 12.733 -27.615 1.00 32.54 C ATOM 1019 C GLN A 65 11.069 13.028 -26.114 1.00 40.40 C ATOM 1020 O GLN A 65 10.425 13.926 -25.566 1.00 45.21 O ATOM 1021 CB GLN A 65 9.972 11.523 -27.833 1.00 12.40 C ATOM 1022 CG GLN A 65 8.479 11.812 -27.629 1.00 4.52 C ATOM 1023 CD GLN A 65 8.068 12.012 -26.174 1.00 13.50 C ATOM 1024 OE1 GLN A 65 7.155 12.771 -25.877 1.00 0.41 O ATOM 1025 NE2 GLN A 65 8.714 11.316 -25.257 1.00 3.12 N ATOM 0 H GLN A 65 12.329 11.519 -28.575 1.00 31.44 H new ATOM 0 HA GLN A 65 10.457 13.606 -28.090 1.00 32.54 H new ATOM 0 HB2 GLN A 65 10.119 11.147 -28.846 1.00 12.40 H new ATOM 0 HB3 GLN A 65 10.269 10.726 -27.151 1.00 12.40 H new ATOM 0 HG2 GLN A 65 8.214 12.705 -28.195 1.00 4.52 H new ATOM 0 HG3 GLN A 65 7.902 10.987 -28.047 1.00 4.52 H new ATOM 0 HE21 GLN A 65 9.471 10.690 -25.531 1.00 3.12 H new ATOM 0 HE22 GLN A 65 8.456 11.404 -24.274 1.00 3.12 H new ATOM 1034 N GLY A 66 11.951 12.264 -25.462 1.00 24.14 N ATOM 1035 CA GLY A 66 12.231 12.469 -24.043 1.00 31.13 C ATOM 1036 C GLY A 66 12.670 13.896 -23.724 1.00 73.15 C ATOM 1037 O GLY A 66 12.266 14.467 -22.713 1.00 35.32 O ATOM 0 H GLY A 66 12.478 11.504 -25.893 1.00 24.14 H new ATOM 0 HA2 GLY A 66 11.339 12.231 -23.464 1.00 31.13 H new ATOM 0 HA3 GLY A 66 13.011 11.775 -23.728 1.00 31.13 H new ATOM 1041 N ILE A 67 13.498 14.468 -24.593 1.00 40.15 N ATOM 1042 CA ILE A 67 13.955 15.852 -24.451 1.00 41.51 C ATOM 1043 C ILE A 67 12.768 16.820 -24.395 1.00 13.20 C ATOM 1044 O ILE A 67 12.770 17.777 -23.617 1.00 10.31 O ATOM 1045 CB ILE A 67 14.902 16.238 -25.621 1.00 70.34 C ATOM 1046 CG1 ILE A 67 16.252 15.516 -25.471 1.00 3.53 C ATOM 1047 CG2 ILE A 67 15.105 17.749 -25.703 1.00 41.41 C ATOM 1048 CD1 ILE A 67 17.213 15.760 -26.615 1.00 11.02 C ATOM 0 H ILE A 67 13.871 13.990 -25.413 1.00 40.15 H new ATOM 0 HA ILE A 67 14.505 15.927 -23.513 1.00 41.51 H new ATOM 0 HB ILE A 67 14.433 15.920 -26.552 1.00 70.34 H new ATOM 0 HG12 ILE A 67 16.722 15.836 -24.541 1.00 3.53 H new ATOM 0 HG13 ILE A 67 16.071 14.445 -25.384 1.00 3.53 H new ATOM 0 HG21 ILE A 67 15.773 17.982 -26.532 1.00 41.41 H new ATOM 0 HG22 ILE A 67 14.144 18.237 -25.863 1.00 41.41 H new ATOM 0 HG23 ILE A 67 15.544 18.108 -24.772 1.00 41.41 H new ATOM 0 HD11 ILE A 67 18.140 15.217 -26.433 1.00 11.02 H new ATOM 0 HD12 ILE A 67 16.765 15.413 -27.546 1.00 11.02 H new ATOM 0 HD13 ILE A 67 17.426 16.826 -26.690 1.00 11.02 H new ATOM 1060 N GLU A 68 11.746 16.551 -25.207 1.00 21.04 N ATOM 1061 CA GLU A 68 10.544 17.388 -25.239 1.00 11.34 C ATOM 1062 C GLU A 68 9.798 17.335 -23.897 1.00 31.31 C ATOM 1063 O GLU A 68 9.561 18.366 -23.267 1.00 32.12 O ATOM 1064 CB GLU A 68 9.617 16.953 -26.383 1.00 65.31 C ATOM 1065 CG GLU A 68 10.294 16.946 -27.750 1.00 71.01 C ATOM 1066 CD GLU A 68 9.316 16.710 -28.891 1.00 4.32 C ATOM 1067 OE1 GLU A 68 8.944 15.544 -29.136 1.00 40.03 O ATOM 1068 OE2 GLU A 68 8.912 17.694 -29.544 1.00 14.23 O ATOM 0 H GLU A 68 11.725 15.761 -25.852 1.00 21.04 H new ATOM 0 HA GLU A 68 10.855 18.418 -25.413 1.00 11.34 H new ATOM 0 HB2 GLU A 68 9.236 15.954 -26.171 1.00 65.31 H new ATOM 0 HB3 GLU A 68 8.757 17.622 -26.416 1.00 65.31 H new ATOM 0 HG2 GLU A 68 10.802 17.898 -27.904 1.00 71.01 H new ATOM 0 HG3 GLU A 68 11.059 16.170 -27.767 1.00 71.01 H new ATOM 1075 N VAL A 69 9.450 16.130 -23.446 1.00 60.13 N ATOM 1076 CA VAL A 69 8.767 15.970 -22.157 1.00 25.13 C ATOM 1077 C VAL A 69 9.661 16.412 -20.985 1.00 3.13 C ATOM 1078 O VAL A 69 9.165 16.814 -19.938 1.00 20.25 O ATOM 1079 CB VAL A 69 8.285 14.513 -21.922 1.00 12.10 C ATOM 1080 CG1 VAL A 69 7.302 14.085 -23.010 1.00 53.41 C ATOM 1081 CG2 VAL A 69 9.464 13.545 -21.843 1.00 23.33 C ATOM 0 H VAL A 69 9.626 15.258 -23.945 1.00 60.13 H new ATOM 0 HA VAL A 69 7.890 16.616 -22.198 1.00 25.13 H new ATOM 0 HB VAL A 69 7.767 14.484 -20.963 1.00 12.10 H new ATOM 0 HG11 VAL A 69 6.978 13.061 -22.825 1.00 53.41 H new ATOM 0 HG12 VAL A 69 6.436 14.747 -22.999 1.00 53.41 H new ATOM 0 HG13 VAL A 69 7.790 14.141 -23.983 1.00 53.41 H new ATOM 0 HG21 VAL A 69 9.094 12.533 -21.678 1.00 23.33 H new ATOM 0 HG22 VAL A 69 10.025 13.578 -22.777 1.00 23.33 H new ATOM 0 HG23 VAL A 69 10.116 13.832 -21.018 1.00 23.33 H new ATOM 1091 N ALA A 70 10.979 16.351 -21.170 1.00 12.41 N ATOM 1092 CA ALA A 70 11.923 16.805 -20.141 1.00 54.25 C ATOM 1093 C ALA A 70 11.857 18.326 -19.950 1.00 43.42 C ATOM 1094 O ALA A 70 11.686 18.814 -18.836 1.00 3.30 O ATOM 1095 CB ALA A 70 13.342 16.378 -20.497 1.00 62.41 C ATOM 0 H ALA A 70 11.419 15.994 -22.018 1.00 12.41 H new ATOM 0 HA ALA A 70 11.638 16.337 -19.199 1.00 54.25 H new ATOM 0 HB1 ALA A 70 14.030 16.722 -19.725 1.00 62.41 H new ATOM 0 HB2 ALA A 70 13.388 15.291 -20.566 1.00 62.41 H new ATOM 0 HB3 ALA A 70 13.624 16.815 -21.455 1.00 62.41 H new ATOM 1101 N ARG A 71 11.982 19.070 -21.048 1.00 75.25 N ATOM 1102 CA ARG A 71 11.938 20.538 -20.998 1.00 14.33 C ATOM 1103 C ARG A 71 10.533 21.061 -20.653 1.00 52.12 C ATOM 1104 O ARG A 71 10.393 22.033 -19.911 1.00 72.11 O ATOM 1105 CB ARG A 71 12.408 21.133 -22.339 1.00 15.14 C ATOM 1106 CG ARG A 71 11.632 20.614 -23.549 1.00 14.05 C ATOM 1107 CD ARG A 71 12.181 21.144 -24.872 1.00 3.31 C ATOM 1108 NE ARG A 71 11.891 22.562 -25.068 1.00 63.21 N ATOM 1109 CZ ARG A 71 11.867 23.151 -26.236 1.00 3.31 C ATOM 1110 NH1 ARG A 71 12.117 22.486 -27.320 1.00 42.11 N ATOM 1111 NH2 ARG A 71 11.589 24.410 -26.324 1.00 14.34 N ATOM 0 H ARG A 71 12.114 18.685 -21.983 1.00 75.25 H new ATOM 0 HA ARG A 71 12.613 20.856 -20.204 1.00 14.33 H new ATOM 0 HB2 ARG A 71 12.314 22.218 -22.297 1.00 15.14 H new ATOM 0 HB3 ARG A 71 13.466 20.909 -22.474 1.00 15.14 H new ATOM 0 HG2 ARG A 71 11.665 19.525 -23.557 1.00 14.05 H new ATOM 0 HG3 ARG A 71 10.585 20.900 -23.454 1.00 14.05 H new ATOM 0 HD2 ARG A 71 13.259 20.989 -24.903 1.00 3.31 H new ATOM 0 HD3 ARG A 71 11.753 20.571 -25.695 1.00 3.31 H new ATOM 0 HE ARG A 71 11.695 23.128 -24.243 1.00 63.21 H new ATOM 0 HH11 ARG A 71 12.336 21.491 -27.269 1.00 42.11 H new ATOM 0 HH12 ARG A 71 12.095 22.958 -28.224 1.00 42.11 H new ATOM 0 HH21 ARG A 71 11.387 24.948 -25.481 1.00 14.34 H new ATOM 0 HH22 ARG A 71 11.571 24.866 -27.236 1.00 14.34 H new ATOM 1125 N GLU A 72 9.498 20.419 -21.193 1.00 74.10 N ATOM 1126 CA GLU A 72 8.119 20.892 -21.010 1.00 43.20 C ATOM 1127 C GLU A 72 7.464 20.334 -19.732 1.00 33.43 C ATOM 1128 O GLU A 72 6.969 21.092 -18.895 1.00 51.34 O ATOM 1129 CB GLU A 72 7.275 20.513 -22.237 1.00 2.01 C ATOM 1130 CG GLU A 72 7.841 21.040 -23.552 1.00 31.25 C ATOM 1131 CD GLU A 72 6.947 20.742 -24.746 1.00 52.04 C ATOM 1132 OE1 GLU A 72 6.025 21.543 -25.012 1.00 31.22 O ATOM 1133 OE2 GLU A 72 7.169 19.721 -25.433 1.00 23.43 O ATOM 0 H GLU A 72 9.583 19.574 -21.758 1.00 74.10 H new ATOM 0 HA GLU A 72 8.161 21.976 -20.901 1.00 43.20 H new ATOM 0 HB2 GLU A 72 7.198 19.427 -22.293 1.00 2.01 H new ATOM 0 HB3 GLU A 72 6.264 20.898 -22.106 1.00 2.01 H new ATOM 0 HG2 GLU A 72 7.985 22.118 -23.473 1.00 31.25 H new ATOM 0 HG3 GLU A 72 8.823 20.598 -23.721 1.00 31.25 H new ATOM 1140 N GLU A 73 7.487 19.013 -19.570 1.00 21.31 N ATOM 1141 CA GLU A 73 6.776 18.357 -18.460 1.00 33.43 C ATOM 1142 C GLU A 73 7.684 18.139 -17.233 1.00 21.21 C ATOM 1143 O GLU A 73 7.220 18.175 -16.093 1.00 33.01 O ATOM 1144 CB GLU A 73 6.199 17.010 -18.932 1.00 20.43 C ATOM 1145 CG GLU A 73 5.367 17.096 -20.213 1.00 12.33 C ATOM 1146 CD GLU A 73 4.140 17.991 -20.077 1.00 60.52 C ATOM 1147 OE1 GLU A 73 3.100 17.511 -19.579 1.00 1.33 O ATOM 1148 OE2 GLU A 73 4.206 19.175 -20.471 1.00 25.41 O ATOM 0 H GLU A 73 7.986 18.373 -20.187 1.00 21.31 H new ATOM 0 HA GLU A 73 5.967 19.020 -18.153 1.00 33.43 H new ATOM 0 HB2 GLU A 73 7.021 16.312 -19.093 1.00 20.43 H new ATOM 0 HB3 GLU A 73 5.579 16.595 -18.137 1.00 20.43 H new ATOM 0 HG2 GLU A 73 5.995 17.472 -21.021 1.00 12.33 H new ATOM 0 HG3 GLU A 73 5.047 16.094 -20.498 1.00 12.33 H new ATOM 1155 N GLY A 74 8.976 17.908 -17.472 1.00 60.13 N ATOM 1156 CA GLY A 74 9.922 17.681 -16.378 1.00 34.24 C ATOM 1157 C GLY A 74 10.660 18.950 -15.957 1.00 35.54 C ATOM 1158 O GLY A 74 10.033 19.929 -15.543 1.00 11.10 O ATOM 0 H GLY A 74 9.389 17.873 -18.404 1.00 60.13 H new ATOM 0 HA2 GLY A 74 9.386 17.277 -15.519 1.00 34.24 H new ATOM 0 HA3 GLY A 74 10.649 16.928 -16.683 1.00 34.24 H new ATOM 1162 N THR A 75 11.988 18.939 -16.064 1.00 75.12 N ATOM 1163 CA THR A 75 12.804 20.113 -15.718 1.00 63.54 C ATOM 1164 C THR A 75 14.077 20.194 -16.575 1.00 13.04 C ATOM 1165 O THR A 75 14.403 19.266 -17.323 1.00 30.24 O ATOM 1166 CB THR A 75 13.200 20.129 -14.218 1.00 73.33 C ATOM 1167 OG1 THR A 75 13.958 21.314 -13.919 1.00 1.25 O ATOM 1168 CG2 THR A 75 14.012 18.892 -13.845 1.00 71.34 C ATOM 0 H THR A 75 12.525 18.134 -16.386 1.00 75.12 H new ATOM 0 HA THR A 75 12.179 20.982 -15.924 1.00 63.54 H new ATOM 0 HB THR A 75 12.282 20.126 -13.630 1.00 73.33 H new ATOM 0 HG1 THR A 75 14.202 21.316 -12.970 1.00 1.25 H new ATOM 0 HG21 THR A 75 14.274 18.934 -12.788 1.00 71.34 H new ATOM 0 HG22 THR A 75 13.421 17.997 -14.037 1.00 71.34 H new ATOM 0 HG23 THR A 75 14.923 18.861 -14.443 1.00 71.34 H new ATOM 1176 N GLN A 76 14.806 21.299 -16.436 1.00 72.41 N ATOM 1177 CA GLN A 76 15.971 21.584 -17.280 1.00 42.32 C ATOM 1178 C GLN A 76 17.111 20.573 -17.043 1.00 64.33 C ATOM 1179 O GLN A 76 17.847 20.232 -17.972 1.00 33.10 O ATOM 1180 CB GLN A 76 16.450 23.028 -17.027 1.00 53.12 C ATOM 1181 CG GLN A 76 17.220 23.664 -18.190 1.00 30.21 C ATOM 1182 CD GLN A 76 18.635 23.131 -18.363 1.00 2.12 C ATOM 1183 OE1 GLN A 76 19.295 22.752 -17.402 1.00 54.53 O ATOM 1184 NE2 GLN A 76 19.115 23.107 -19.590 1.00 35.11 N ATOM 0 H GLN A 76 14.610 22.020 -15.741 1.00 72.41 H new ATOM 0 HA GLN A 76 15.673 21.483 -18.323 1.00 42.32 H new ATOM 0 HB2 GLN A 76 15.583 23.649 -16.801 1.00 53.12 H new ATOM 0 HB3 GLN A 76 17.086 23.035 -16.142 1.00 53.12 H new ATOM 0 HG2 GLN A 76 16.665 23.498 -19.113 1.00 30.21 H new ATOM 0 HG3 GLN A 76 17.266 24.742 -18.035 1.00 30.21 H new ATOM 0 HE21 GLN A 76 18.541 23.429 -20.369 1.00 35.11 H new ATOM 0 HE22 GLN A 76 20.061 22.766 -19.761 1.00 35.11 H new ATOM 1193 N LYS A 77 17.249 20.083 -15.808 1.00 21.13 N ATOM 1194 CA LYS A 77 18.292 19.095 -15.488 1.00 52.24 C ATOM 1195 C LYS A 77 18.177 17.857 -16.386 1.00 32.21 C ATOM 1196 O LYS A 77 19.151 17.447 -17.023 1.00 45.01 O ATOM 1197 CB LYS A 77 18.206 18.663 -14.015 1.00 63.43 C ATOM 1198 CG LYS A 77 19.226 17.589 -13.635 1.00 5.21 C ATOM 1199 CD LYS A 77 19.094 17.154 -12.179 1.00 13.43 C ATOM 1200 CE LYS A 77 20.125 16.092 -11.822 1.00 73.53 C ATOM 1201 NZ LYS A 77 20.034 15.678 -10.399 1.00 44.15 N ATOM 0 H LYS A 77 16.660 20.348 -15.018 1.00 21.13 H new ATOM 0 HA LYS A 77 19.255 19.573 -15.666 1.00 52.24 H new ATOM 0 HB2 LYS A 77 18.355 19.536 -13.379 1.00 63.43 H new ATOM 0 HB3 LYS A 77 17.203 18.288 -13.812 1.00 63.43 H new ATOM 0 HG2 LYS A 77 19.097 16.723 -14.284 1.00 5.21 H new ATOM 0 HG3 LYS A 77 20.233 17.970 -13.808 1.00 5.21 H new ATOM 0 HD2 LYS A 77 19.218 18.018 -11.527 1.00 13.43 H new ATOM 0 HD3 LYS A 77 18.091 16.764 -12.003 1.00 13.43 H new ATOM 0 HE2 LYS A 77 19.983 15.221 -12.462 1.00 73.53 H new ATOM 0 HE3 LYS A 77 21.125 16.476 -12.024 1.00 73.53 H new ATOM 0 HZ1 LYS A 77 20.754 14.954 -10.201 1.00 44.15 H new ATOM 0 HZ2 LYS A 77 20.195 16.503 -9.786 1.00 44.15 H new ATOM 0 HZ3 LYS A 77 19.089 15.286 -10.211 1.00 44.15 H new ATOM 1215 N ASP A 78 16.975 17.285 -16.453 1.00 45.12 N ATOM 1216 CA ASP A 78 16.715 16.126 -17.310 1.00 65.41 C ATOM 1217 C ASP A 78 16.885 16.489 -18.791 1.00 23.52 C ATOM 1218 O ASP A 78 17.369 15.685 -19.587 1.00 21.22 O ATOM 1219 CB ASP A 78 15.310 15.581 -17.050 1.00 32.15 C ATOM 1220 CG ASP A 78 15.151 15.083 -15.626 1.00 23.22 C ATOM 1221 OD1 ASP A 78 15.427 13.888 -15.372 1.00 73.43 O ATOM 1222 OD2 ASP A 78 14.759 15.880 -14.751 1.00 1.13 O ATOM 0 H ASP A 78 16.164 17.605 -15.924 1.00 45.12 H new ATOM 0 HA ASP A 78 17.442 15.351 -17.068 1.00 65.41 H new ATOM 0 HB2 ASP A 78 14.576 16.362 -17.245 1.00 32.15 H new ATOM 0 HB3 ASP A 78 15.102 14.767 -17.745 1.00 32.15 H new ATOM 1227 N LEU A 79 16.491 17.711 -19.146 1.00 63.34 N ATOM 1228 CA LEU A 79 16.704 18.237 -20.498 1.00 22.42 C ATOM 1229 C LEU A 79 18.182 18.117 -20.910 1.00 0.14 C ATOM 1230 O LEU A 79 18.504 17.589 -21.976 1.00 43.33 O ATOM 1231 CB LEU A 79 16.241 19.702 -20.561 1.00 24.12 C ATOM 1232 CG LEU A 79 16.561 20.454 -21.863 1.00 45.34 C ATOM 1233 CD1 LEU A 79 15.871 19.801 -23.051 1.00 41.25 C ATOM 1234 CD2 LEU A 79 16.160 21.923 -21.746 1.00 24.31 C ATOM 0 H LEU A 79 16.020 18.359 -18.515 1.00 63.34 H new ATOM 0 HA LEU A 79 16.116 17.646 -21.200 1.00 22.42 H new ATOM 0 HB2 LEU A 79 15.163 19.729 -20.405 1.00 24.12 H new ATOM 0 HB3 LEU A 79 16.697 20.242 -19.731 1.00 24.12 H new ATOM 0 HG LEU A 79 17.637 20.403 -22.029 1.00 45.34 H new ATOM 0 HD11 LEU A 79 16.113 20.352 -23.960 1.00 41.25 H new ATOM 0 HD12 LEU A 79 16.213 18.771 -23.149 1.00 41.25 H new ATOM 0 HD13 LEU A 79 14.792 19.812 -22.896 1.00 41.25 H new ATOM 0 HD21 LEU A 79 16.394 22.439 -22.677 1.00 24.31 H new ATOM 0 HD22 LEU A 79 15.090 21.994 -21.551 1.00 24.31 H new ATOM 0 HD23 LEU A 79 16.709 22.386 -20.926 1.00 24.31 H new ATOM 1246 N SER A 80 19.079 18.599 -20.053 1.00 32.41 N ATOM 1247 CA SER A 80 20.526 18.512 -20.311 1.00 64.22 C ATOM 1248 C SER A 80 21.007 17.052 -20.320 1.00 40.45 C ATOM 1249 O SER A 80 21.807 16.656 -21.171 1.00 22.03 O ATOM 1250 CB SER A 80 21.309 19.311 -19.258 1.00 23.21 C ATOM 1251 OG SER A 80 22.708 19.260 -19.500 1.00 15.45 O ATOM 0 H SER A 80 18.836 19.054 -19.173 1.00 32.41 H new ATOM 0 HA SER A 80 20.711 18.939 -21.297 1.00 64.22 H new ATOM 0 HB2 SER A 80 20.975 20.349 -19.265 1.00 23.21 H new ATOM 0 HB3 SER A 80 21.096 18.914 -18.266 1.00 23.21 H new ATOM 0 HG SER A 80 23.178 19.779 -18.814 1.00 15.45 H new ATOM 1257 N GLU A 81 20.500 16.252 -19.377 1.00 31.21 N ATOM 1258 CA GLU A 81 20.870 14.831 -19.266 1.00 13.30 C ATOM 1259 C GLU A 81 20.554 14.051 -20.552 1.00 60.51 C ATOM 1260 O GLU A 81 21.399 13.323 -21.071 1.00 14.14 O ATOM 1261 CB GLU A 81 20.132 14.179 -18.084 1.00 71.15 C ATOM 1262 CG GLU A 81 20.499 14.751 -16.718 1.00 61.23 C ATOM 1263 CD GLU A 81 21.942 14.480 -16.332 1.00 3.41 C ATOM 1264 OE1 GLU A 81 22.212 13.410 -15.747 1.00 31.23 O ATOM 1265 OE2 GLU A 81 22.813 15.332 -16.603 1.00 34.42 O ATOM 0 H GLU A 81 19.829 16.563 -18.675 1.00 31.21 H new ATOM 0 HA GLU A 81 21.947 14.792 -19.101 1.00 13.30 H new ATOM 0 HB2 GLU A 81 19.058 14.292 -18.235 1.00 71.15 H new ATOM 0 HB3 GLU A 81 20.343 13.110 -18.085 1.00 71.15 H new ATOM 0 HG2 GLU A 81 20.325 15.827 -16.722 1.00 61.23 H new ATOM 0 HG3 GLU A 81 19.840 14.324 -15.962 1.00 61.23 H new ATOM 1272 N LEU A 82 19.332 14.204 -21.059 1.00 35.11 N ATOM 1273 CA LEU A 82 18.890 13.473 -22.254 1.00 11.33 C ATOM 1274 C LEU A 82 19.643 13.924 -23.515 1.00 1.54 C ATOM 1275 O LEU A 82 20.004 13.098 -24.359 1.00 11.41 O ATOM 1276 CB LEU A 82 17.378 13.634 -22.438 1.00 54.11 C ATOM 1277 CG LEU A 82 16.529 13.048 -21.296 1.00 50.31 C ATOM 1278 CD1 LEU A 82 15.050 13.316 -21.525 1.00 21.23 C ATOM 1279 CD2 LEU A 82 16.787 11.552 -21.146 1.00 23.30 C ATOM 0 H LEU A 82 18.627 14.827 -20.664 1.00 35.11 H new ATOM 0 HA LEU A 82 19.121 12.418 -22.104 1.00 11.33 H new ATOM 0 HB2 LEU A 82 17.148 14.695 -22.537 1.00 54.11 H new ATOM 0 HB3 LEU A 82 17.086 13.156 -23.373 1.00 54.11 H new ATOM 0 HG LEU A 82 16.823 13.542 -20.370 1.00 50.31 H new ATOM 0 HD11 LEU A 82 14.472 12.892 -20.704 1.00 21.23 H new ATOM 0 HD12 LEU A 82 14.878 14.391 -21.572 1.00 21.23 H new ATOM 0 HD13 LEU A 82 14.738 12.857 -22.463 1.00 21.23 H new ATOM 0 HD21 LEU A 82 16.177 11.157 -20.333 1.00 23.30 H new ATOM 0 HD22 LEU A 82 16.528 11.043 -22.074 1.00 23.30 H new ATOM 0 HD23 LEU A 82 17.841 11.385 -20.923 1.00 23.30 H new ATOM 1291 N GLN A 83 19.885 15.230 -23.640 1.00 74.44 N ATOM 1292 CA GLN A 83 20.694 15.758 -24.747 1.00 11.34 C ATOM 1293 C GLN A 83 22.097 15.134 -24.736 1.00 65.21 C ATOM 1294 O GLN A 83 22.591 14.657 -25.760 1.00 24.12 O ATOM 1295 CB GLN A 83 20.808 17.287 -24.655 1.00 64.33 C ATOM 1296 CG GLN A 83 19.480 18.017 -24.816 1.00 22.22 C ATOM 1297 CD GLN A 83 19.616 19.521 -24.660 1.00 41.15 C ATOM 1298 OE1 GLN A 83 19.817 20.246 -25.627 1.00 20.24 O ATOM 1299 NE2 GLN A 83 19.523 20.000 -23.438 1.00 64.14 N ATOM 0 H GLN A 83 19.537 15.939 -22.995 1.00 74.44 H new ATOM 0 HA GLN A 83 20.196 15.497 -25.681 1.00 11.34 H new ATOM 0 HB2 GLN A 83 21.242 17.552 -23.691 1.00 64.33 H new ATOM 0 HB3 GLN A 83 21.499 17.637 -25.422 1.00 64.33 H new ATOM 0 HG2 GLN A 83 19.064 17.794 -25.799 1.00 22.22 H new ATOM 0 HG3 GLN A 83 18.772 17.642 -24.077 1.00 22.22 H new ATOM 0 HE21 GLN A 83 19.355 19.369 -22.654 1.00 64.14 H new ATOM 0 HE22 GLN A 83 19.619 21.002 -23.274 1.00 64.14 H new ATOM 1308 N ASP A 84 22.722 15.137 -23.560 1.00 21.10 N ATOM 1309 CA ASP A 84 24.042 14.533 -23.364 1.00 14.41 C ATOM 1310 C ASP A 84 24.007 13.008 -23.602 1.00 34.44 C ATOM 1311 O ASP A 84 24.936 12.433 -24.181 1.00 13.53 O ATOM 1312 CB ASP A 84 24.534 14.845 -21.943 1.00 41.51 C ATOM 1313 CG ASP A 84 25.879 14.217 -21.634 1.00 42.15 C ATOM 1314 OD1 ASP A 84 26.899 14.684 -22.179 1.00 10.15 O ATOM 1315 OD2 ASP A 84 25.927 13.257 -20.835 1.00 44.01 O ATOM 0 H ASP A 84 22.330 15.557 -22.717 1.00 21.10 H new ATOM 0 HA ASP A 84 24.732 14.959 -24.093 1.00 14.41 H new ATOM 0 HB2 ASP A 84 24.606 15.925 -21.818 1.00 41.51 H new ATOM 0 HB3 ASP A 84 23.798 14.489 -21.222 1.00 41.51 H new ATOM 1320 N ALA A 85 22.923 12.367 -23.159 1.00 75.42 N ATOM 1321 CA ALA A 85 22.751 10.915 -23.298 1.00 24.11 C ATOM 1322 C ALA A 85 22.773 10.462 -24.767 1.00 64.45 C ATOM 1323 O ALA A 85 23.469 9.505 -25.118 1.00 4.14 O ATOM 1324 CB ALA A 85 21.456 10.475 -22.626 1.00 45.54 C ATOM 0 H ALA A 85 22.143 12.834 -22.696 1.00 75.42 H new ATOM 0 HA ALA A 85 23.597 10.438 -22.803 1.00 24.11 H new ATOM 0 HB1 ALA A 85 21.338 9.397 -22.735 1.00 45.54 H new ATOM 0 HB2 ALA A 85 21.490 10.731 -21.567 1.00 45.54 H new ATOM 0 HB3 ALA A 85 20.612 10.982 -23.095 1.00 45.54 H new ATOM 1330 N LYS A 86 22.006 11.141 -25.621 1.00 71.42 N ATOM 1331 CA LYS A 86 22.001 10.831 -27.058 1.00 1.12 C ATOM 1332 C LYS A 86 23.282 11.331 -27.741 1.00 34.13 C ATOM 1333 O LYS A 86 23.817 10.668 -28.626 1.00 74.35 O ATOM 1334 CB LYS A 86 20.767 11.432 -27.756 1.00 0.35 C ATOM 1335 CG LYS A 86 20.623 12.943 -27.584 1.00 11.15 C ATOM 1336 CD LYS A 86 19.520 13.524 -28.469 1.00 25.34 C ATOM 1337 CE LYS A 86 19.868 13.420 -29.951 1.00 65.15 C ATOM 1338 NZ LYS A 86 18.863 14.096 -30.814 1.00 64.12 N ATOM 0 H LYS A 86 21.384 11.903 -25.350 1.00 71.42 H new ATOM 0 HA LYS A 86 21.958 9.746 -27.151 1.00 1.12 H new ATOM 0 HB2 LYS A 86 20.818 11.202 -28.820 1.00 0.35 H new ATOM 0 HB3 LYS A 86 19.872 10.947 -27.368 1.00 0.35 H new ATOM 0 HG2 LYS A 86 20.405 13.169 -26.540 1.00 11.15 H new ATOM 0 HG3 LYS A 86 21.570 13.426 -27.824 1.00 11.15 H new ATOM 0 HD2 LYS A 86 18.585 12.997 -28.277 1.00 25.34 H new ATOM 0 HD3 LYS A 86 19.356 14.569 -28.207 1.00 25.34 H new ATOM 0 HE2 LYS A 86 20.849 13.863 -30.124 1.00 65.15 H new ATOM 0 HE3 LYS A 86 19.938 12.369 -30.233 1.00 65.15 H new ATOM 0 HZ1 LYS A 86 19.141 13.999 -31.812 1.00 64.12 H new ATOM 0 HZ2 LYS A 86 17.931 13.658 -30.670 1.00 64.12 H new ATOM 0 HZ3 LYS A 86 18.813 15.104 -30.565 1.00 64.12 H new ATOM 1352 N LEU A 87 23.777 12.491 -27.306 1.00 55.04 N ATOM 1353 CA LEU A 87 24.977 13.099 -27.898 1.00 62.33 C ATOM 1354 C LEU A 87 26.168 12.130 -27.889 1.00 3.21 C ATOM 1355 O LEU A 87 26.832 11.941 -28.909 1.00 35.11 O ATOM 1356 CB LEU A 87 25.344 14.387 -27.145 1.00 55.51 C ATOM 1357 CG LEU A 87 26.544 15.169 -27.709 1.00 61.34 C ATOM 1358 CD1 LEU A 87 26.274 15.624 -29.142 1.00 21.25 C ATOM 1359 CD2 LEU A 87 26.872 16.365 -26.814 1.00 63.24 C ATOM 0 H LEU A 87 23.367 13.032 -26.545 1.00 55.04 H new ATOM 0 HA LEU A 87 24.748 13.338 -28.937 1.00 62.33 H new ATOM 0 HB2 LEU A 87 24.475 15.044 -27.141 1.00 55.51 H new ATOM 0 HB3 LEU A 87 25.555 14.132 -26.107 1.00 55.51 H new ATOM 0 HG LEU A 87 27.407 14.504 -27.725 1.00 61.34 H new ATOM 0 HD11 LEU A 87 27.137 16.174 -29.518 1.00 21.25 H new ATOM 0 HD12 LEU A 87 26.096 14.753 -29.773 1.00 21.25 H new ATOM 0 HD13 LEU A 87 25.396 16.270 -29.159 1.00 21.25 H new ATOM 0 HD21 LEU A 87 27.723 16.906 -27.228 1.00 63.24 H new ATOM 0 HD22 LEU A 87 26.009 17.029 -26.763 1.00 63.24 H new ATOM 0 HD23 LEU A 87 27.118 16.013 -25.812 1.00 63.24 H new ATOM 1371 N LYS A 88 26.430 11.510 -26.740 1.00 53.33 N ATOM 1372 CA LYS A 88 27.529 10.548 -26.632 1.00 3.32 C ATOM 1373 C LYS A 88 27.297 9.345 -27.561 1.00 11.44 C ATOM 1374 O LYS A 88 28.224 8.863 -28.206 1.00 21.32 O ATOM 1375 CB LYS A 88 27.699 10.071 -25.180 1.00 33.02 C ATOM 1376 CG LYS A 88 26.578 9.159 -24.691 1.00 50.33 C ATOM 1377 CD LYS A 88 26.799 8.691 -23.257 1.00 70.01 C ATOM 1378 CE LYS A 88 25.898 7.510 -22.912 1.00 61.55 C ATOM 1379 NZ LYS A 88 24.464 7.804 -23.185 1.00 44.10 N ATOM 0 H LYS A 88 25.904 11.653 -25.878 1.00 53.33 H new ATOM 0 HA LYS A 88 28.445 11.053 -26.940 1.00 3.32 H new ATOM 0 HB2 LYS A 88 28.648 9.543 -25.091 1.00 33.02 H new ATOM 0 HB3 LYS A 88 27.756 10.942 -24.527 1.00 33.02 H new ATOM 0 HG2 LYS A 88 25.627 9.688 -24.756 1.00 50.33 H new ATOM 0 HG3 LYS A 88 26.506 8.292 -25.347 1.00 50.33 H new ATOM 0 HD2 LYS A 88 27.842 8.406 -23.122 1.00 70.01 H new ATOM 0 HD3 LYS A 88 26.602 9.514 -22.570 1.00 70.01 H new ATOM 0 HE2 LYS A 88 26.206 6.638 -23.490 1.00 61.55 H new ATOM 0 HE3 LYS A 88 26.022 7.255 -21.860 1.00 61.55 H new ATOM 0 HZ1 LYS A 88 23.921 6.917 -23.183 1.00 44.10 H new ATOM 0 HZ2 LYS A 88 24.093 8.438 -22.449 1.00 44.10 H new ATOM 0 HZ3 LYS A 88 24.374 8.263 -24.114 1.00 44.10 H new ATOM 1393 N ALA A 89 26.045 8.884 -27.643 1.00 32.04 N ATOM 1394 CA ALA A 89 25.689 7.736 -28.485 1.00 73.51 C ATOM 1395 C ALA A 89 25.970 8.017 -29.968 1.00 61.03 C ATOM 1396 O ALA A 89 26.486 7.159 -30.689 1.00 42.32 O ATOM 1397 CB ALA A 89 24.224 7.370 -28.279 1.00 73.03 C ATOM 0 H ALA A 89 25.259 9.289 -27.135 1.00 32.04 H new ATOM 0 HA ALA A 89 26.312 6.893 -28.186 1.00 73.51 H new ATOM 0 HB1 ALA A 89 23.970 6.517 -28.908 1.00 73.03 H new ATOM 0 HB2 ALA A 89 24.057 7.112 -27.233 1.00 73.03 H new ATOM 0 HB3 ALA A 89 23.596 8.219 -28.548 1.00 73.03 H new ATOM 1403 N GLU A 90 25.629 9.225 -30.412 1.00 10.52 N ATOM 1404 CA GLU A 90 25.910 9.659 -31.787 1.00 23.15 C ATOM 1405 C GLU A 90 27.426 9.785 -32.022 1.00 54.41 C ATOM 1406 O GLU A 90 27.922 9.565 -33.131 1.00 43.14 O ATOM 1407 CB GLU A 90 25.229 11.008 -32.071 1.00 52.33 C ATOM 1408 CG GLU A 90 23.719 11.002 -31.848 1.00 63.23 C ATOM 1409 CD GLU A 90 23.057 12.327 -32.209 1.00 11.14 C ATOM 1410 OE1 GLU A 90 23.132 13.282 -31.404 1.00 71.13 O ATOM 1411 OE2 GLU A 90 22.458 12.420 -33.305 1.00 40.41 O ATOM 0 H GLU A 90 25.156 9.925 -29.841 1.00 10.52 H new ATOM 0 HA GLU A 90 25.512 8.905 -32.467 1.00 23.15 H new ATOM 0 HB2 GLU A 90 25.677 11.770 -31.433 1.00 52.33 H new ATOM 0 HB3 GLU A 90 25.432 11.296 -33.103 1.00 52.33 H new ATOM 0 HG2 GLU A 90 23.273 10.205 -32.443 1.00 63.23 H new ATOM 0 HG3 GLU A 90 23.513 10.772 -30.803 1.00 63.23 H new ATOM 1418 N GLY A 91 28.151 10.151 -30.963 1.00 73.20 N ATOM 1419 CA GLY A 91 29.599 10.312 -31.047 1.00 65.35 C ATOM 1420 C GLY A 91 30.375 8.996 -30.944 1.00 72.14 C ATOM 1421 O GLY A 91 31.497 8.899 -31.442 1.00 71.03 O ATOM 0 H GLY A 91 27.758 10.340 -30.041 1.00 73.20 H new ATOM 0 HA2 GLY A 91 29.847 10.796 -31.992 1.00 65.35 H new ATOM 0 HA3 GLY A 91 29.928 10.980 -30.251 1.00 65.35 H new ATOM 1425 N LEU A 92 29.791 7.983 -30.293 1.00 55.22 N ATOM 1426 CA LEU A 92 30.456 6.677 -30.138 1.00 14.43 C ATOM 1427 C LEU A 92 30.830 6.065 -31.498 1.00 24.20 C ATOM 1428 O LEU A 92 31.994 5.747 -31.751 1.00 5.11 O ATOM 1429 CB LEU A 92 29.560 5.694 -29.366 1.00 43.21 C ATOM 1430 CG LEU A 92 29.325 6.029 -27.885 1.00 23.32 C ATOM 1431 CD1 LEU A 92 28.395 5.004 -27.239 1.00 45.41 C ATOM 1432 CD2 LEU A 92 30.654 6.109 -27.133 1.00 35.12 C ATOM 0 H LEU A 92 28.866 8.038 -29.867 1.00 55.22 H new ATOM 0 HA LEU A 92 31.372 6.852 -29.573 1.00 14.43 H new ATOM 0 HB2 LEU A 92 28.593 5.643 -29.866 1.00 43.21 H new ATOM 0 HB3 LEU A 92 30.004 4.700 -29.429 1.00 43.21 H new ATOM 0 HG LEU A 92 28.843 7.005 -27.828 1.00 23.32 H new ATOM 0 HD11 LEU A 92 28.243 5.261 -26.191 1.00 45.41 H new ATOM 0 HD12 LEU A 92 27.436 5.006 -27.756 1.00 45.41 H new ATOM 0 HD13 LEU A 92 28.842 4.012 -27.308 1.00 45.41 H new ATOM 0 HD21 LEU A 92 30.466 6.347 -26.086 1.00 35.12 H new ATOM 0 HD22 LEU A 92 31.168 5.150 -27.200 1.00 35.12 H new ATOM 0 HD23 LEU A 92 31.276 6.887 -27.576 1.00 35.12 H new