USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 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 42 ASN : amide:sc= -0.325 K(o=-0.63,f=-4.9!) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.309 K(o=-0.63,f=-1.7) USER MOD Set 2.1: A 51 SER OG : rot -100:sc= 0.43 USER MOD Set 2.2: A 56 LYS NZ :NH3+ 149:sc= 0.476 (180deg=-0.241) USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -154:sc= 0.528 (180deg=-0.0683) USER MOD Single : A 1 SER OG : rot 180:sc= 0.231 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot -129:sc= 1.27 USER MOD Single : A 7 SER OG : rot -149:sc= 1.05 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 38:sc= 0.822 USER MOD Single : A 14 SER OG : rot 140:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.41) USER MOD Single : A 27 MET CE :methyl -106:sc=-0.00366 (180deg=-0.277) USER MOD Single : A 31 ASN : amide:sc= -1.37 K(o=-1.4,f=-8.7!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 65 GLN : amide:sc= 0.0905 X(o=0.091,f=-0.0038) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.597 K(o=0.6,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 0.179 (180deg=-1.86!) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.494 53.351 -1.657 1.00 25.00 N ATOM 2 CA SER A 1 5.383 52.963 -2.598 1.00 25.00 C ATOM 3 C SER A 1 5.621 51.663 -3.334 1.00 25.00 C ATOM 4 O SER A 1 4.739 50.975 -3.795 1.00 25.00 O ATOM 5 CB SER A 1 5.275 54.106 -3.582 1.00 25.00 C ATOM 6 OG SER A 1 6.385 54.899 -3.217 1.00 25.00 O ATOM 0 H1 SER A 1 6.113 53.953 -0.900 1.00 25.00 H new ATOM 0 H2 SER A 1 6.912 52.494 -1.241 1.00 25.00 H new ATOM 0 H3 SER A 1 7.225 53.874 -2.180 1.00 25.00 H new ATOM 0 HA SER A 1 4.469 52.792 -2.029 1.00 25.00 H new ATOM 0 HB2 SER A 1 5.337 53.765 -4.615 1.00 25.00 H new ATOM 0 HB3 SER A 1 4.334 54.647 -3.481 1.00 25.00 H new ATOM 0 HG SER A 1 6.427 55.689 -3.796 1.00 25.00 H new ATOM 14 N GLN A 2 6.904 51.307 -3.400 1.00 25.00 N ATOM 15 CA GLN A 2 7.330 50.037 -3.976 1.00 25.00 C ATOM 16 C GLN A 2 7.342 49.024 -2.833 1.00 25.00 C ATOM 17 O GLN A 2 7.935 49.283 -1.786 1.00 25.00 O ATOM 18 CB GLN A 2 8.729 50.178 -4.597 1.00 25.00 C ATOM 19 CG GLN A 2 8.908 49.433 -5.927 1.00 25.00 C ATOM 20 CD GLN A 2 8.750 47.928 -5.791 1.00 25.00 C ATOM 21 OE1 GLN A 2 9.093 47.348 -4.786 1.00 25.00 O ATOM 22 NE2 GLN A 2 8.209 47.302 -6.804 1.00 25.00 N ATOM 0 H GLN A 2 7.670 51.887 -3.058 1.00 25.00 H new ATOM 0 HA GLN A 2 6.657 49.715 -4.771 1.00 25.00 H new ATOM 0 HB2 GLN A 2 8.938 51.236 -4.756 1.00 25.00 H new ATOM 0 HB3 GLN A 2 9.468 49.810 -3.886 1.00 25.00 H new ATOM 0 HG2 GLN A 2 8.179 49.806 -6.647 1.00 25.00 H new ATOM 0 HG3 GLN A 2 9.896 49.654 -6.331 1.00 25.00 H new ATOM 0 HE21 GLN A 2 7.932 47.823 -7.636 1.00 25.00 H new ATOM 0 HE22 GLN A 2 8.065 46.293 -6.762 1.00 25.00 H new ATOM 31 N GLN A 3 6.636 47.913 -3.014 1.00 25.00 N ATOM 32 CA GLN A 3 6.550 46.864 -1.992 1.00 25.00 C ATOM 33 C GLN A 3 6.540 45.462 -2.597 1.00 25.00 C ATOM 34 O GLN A 3 7.244 44.582 -2.122 1.00 25.00 O ATOM 35 CB GLN A 3 5.266 47.028 -1.161 1.00 25.00 C ATOM 36 CG GLN A 3 5.228 48.282 -0.301 1.00 25.00 C ATOM 37 CD GLN A 3 4.006 48.330 0.587 1.00 25.00 C ATOM 38 OE1 GLN A 3 2.924 48.687 0.154 1.00 25.00 O ATOM 39 NE2 GLN A 3 4.176 47.978 1.833 1.00 25.00 N ATOM 0 H GLN A 3 6.110 47.711 -3.864 1.00 25.00 H new ATOM 0 HA GLN A 3 7.436 46.973 -1.366 1.00 25.00 H new ATOM 0 HB2 GLN A 3 4.410 47.039 -1.836 1.00 25.00 H new ATOM 0 HB3 GLN A 3 5.152 46.157 -0.516 1.00 25.00 H new ATOM 0 HG2 GLN A 3 6.125 48.324 0.316 1.00 25.00 H new ATOM 0 HG3 GLN A 3 5.242 49.162 -0.944 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.097 47.685 2.159 1.00 25.00 H new ATOM 0 HE22 GLN A 3 3.388 47.996 2.480 1.00 25.00 H new ATOM 48 N SER A 4 5.705 45.279 -3.620 1.00 25.00 N ATOM 49 CA SER A 4 5.464 43.977 -4.270 1.00 25.00 C ATOM 50 C SER A 4 4.840 42.963 -3.295 1.00 25.00 C ATOM 51 O SER A 4 4.618 43.275 -2.127 1.00 25.00 O ATOM 52 CB SER A 4 6.752 43.402 -4.883 1.00 25.00 C ATOM 53 OG SER A 4 6.437 42.540 -5.961 1.00 25.00 O ATOM 0 H SER A 4 5.165 46.040 -4.032 1.00 25.00 H new ATOM 0 HA SER A 4 4.753 44.156 -5.077 1.00 25.00 H new ATOM 0 HB2 SER A 4 7.391 44.213 -5.231 1.00 25.00 H new ATOM 0 HB3 SER A 4 7.313 42.857 -4.124 1.00 25.00 H new ATOM 0 HG SER A 4 6.898 41.684 -5.840 1.00 25.00 H new ATOM 59 N HIS A 5 4.517 41.780 -3.804 1.00 25.00 N ATOM 60 CA HIS A 5 3.979 40.676 -3.005 1.00 25.00 C ATOM 61 C HIS A 5 3.942 39.447 -3.908 1.00 25.00 C ATOM 62 O HIS A 5 3.705 39.589 -5.102 1.00 25.00 O ATOM 63 CB HIS A 5 2.557 40.966 -2.469 1.00 25.00 C ATOM 64 CG HIS A 5 1.509 41.064 -3.535 1.00 25.00 C ATOM 65 ND1 HIS A 5 1.388 42.111 -4.411 1.00 25.00 N ATOM 66 CD2 HIS A 5 0.496 40.214 -3.861 1.00 25.00 C ATOM 67 CE1 HIS A 5 0.352 41.869 -5.209 1.00 25.00 C ATOM 68 NE2 HIS A 5 -0.235 40.729 -4.914 1.00 25.00 N ATOM 0 H HIS A 5 4.621 41.554 -4.793 1.00 25.00 H new ATOM 0 HA HIS A 5 4.615 40.527 -2.132 1.00 25.00 H new ATOM 0 HB2 HIS A 5 2.276 40.178 -1.770 1.00 25.00 H new ATOM 0 HB3 HIS A 5 2.576 41.899 -1.906 1.00 25.00 H new ATOM 0 HD2 HIS A 5 0.294 39.275 -3.368 1.00 25.00 H new ATOM 0 HE1 HIS A 5 0.032 42.528 -6.002 1.00 25.00 H new ATOM 0 HE2 HIS A 5 -1.052 40.316 -5.364 1.00 25.00 H new ATOM 76 N SER A 6 4.128 38.270 -3.310 1.00 25.00 N ATOM 77 CA SER A 6 4.087 36.962 -3.996 1.00 25.00 C ATOM 78 C SER A 6 5.157 36.740 -5.082 1.00 25.00 C ATOM 79 O SER A 6 5.232 37.459 -6.063 1.00 25.00 O ATOM 80 CB SER A 6 2.701 36.719 -4.597 1.00 25.00 C ATOM 81 OG SER A 6 1.692 36.891 -3.612 1.00 25.00 O ATOM 0 H SER A 6 4.316 38.189 -2.311 1.00 25.00 H new ATOM 0 HA SER A 6 4.314 36.241 -3.211 1.00 25.00 H new ATOM 0 HB2 SER A 6 2.531 37.409 -5.424 1.00 25.00 H new ATOM 0 HB3 SER A 6 2.648 35.711 -5.007 1.00 25.00 H new ATOM 0 HG SER A 6 0.812 36.734 -4.014 1.00 25.00 H new ATOM 87 N SER A 7 5.946 35.686 -4.910 1.00 25.00 N ATOM 88 CA SER A 7 7.022 35.356 -5.854 1.00 25.00 C ATOM 89 C SER A 7 6.930 33.903 -6.350 1.00 25.00 C ATOM 90 O SER A 7 7.687 33.035 -5.910 1.00 25.00 O ATOM 91 CB SER A 7 8.364 35.600 -5.168 1.00 25.00 C ATOM 92 OG SER A 7 9.454 35.364 -6.036 1.00 25.00 O ATOM 0 H SER A 7 5.865 35.040 -4.125 1.00 25.00 H new ATOM 0 HA SER A 7 6.923 35.995 -6.732 1.00 25.00 H new ATOM 0 HB2 SER A 7 8.405 36.627 -4.806 1.00 25.00 H new ATOM 0 HB3 SER A 7 8.448 34.952 -4.296 1.00 25.00 H new ATOM 0 HG SER A 7 10.220 35.039 -5.518 1.00 25.00 H new ATOM 98 N PRO A 8 5.961 33.606 -7.238 1.00 25.00 N ATOM 99 CA PRO A 8 5.856 32.234 -7.742 1.00 25.00 C ATOM 100 C PRO A 8 6.888 31.925 -8.822 1.00 25.00 C ATOM 101 O PRO A 8 7.471 32.822 -9.425 1.00 25.00 O ATOM 102 CB PRO A 8 4.446 32.204 -8.325 1.00 25.00 C ATOM 103 CG PRO A 8 4.264 33.573 -8.856 1.00 25.00 C ATOM 104 CD PRO A 8 4.918 34.465 -7.831 1.00 25.00 C ATOM 0 HA PRO A 8 6.039 31.491 -6.966 1.00 25.00 H new ATOM 0 HB2 PRO A 8 4.352 31.453 -9.109 1.00 25.00 H new ATOM 0 HB3 PRO A 8 3.702 31.966 -7.565 1.00 25.00 H new ATOM 0 HG2 PRO A 8 4.731 33.684 -9.835 1.00 25.00 H new ATOM 0 HG3 PRO A 8 3.208 33.815 -8.977 1.00 25.00 H new ATOM 0 HD2 PRO A 8 5.346 35.356 -8.290 1.00 25.00 H new ATOM 0 HD3 PRO A 8 4.204 34.804 -7.081 1.00 25.00 H new ATOM 112 N GLY A 9 7.059 30.642 -9.089 1.00 25.00 N ATOM 113 CA GLY A 9 8.016 30.182 -10.091 1.00 25.00 C ATOM 114 C GLY A 9 9.188 29.476 -9.442 1.00 25.00 C ATOM 115 O GLY A 9 10.292 29.446 -9.976 1.00 25.00 O ATOM 0 H GLY A 9 6.546 29.893 -8.625 1.00 25.00 H new ATOM 0 HA2 GLY A 9 7.521 29.506 -10.788 1.00 25.00 H new ATOM 0 HA3 GLY A 9 8.375 31.031 -10.672 1.00 25.00 H new ATOM 119 N GLU A 10 8.923 28.900 -8.277 1.00 25.00 N ATOM 120 CA GLU A 10 9.913 28.244 -7.408 1.00 25.00 C ATOM 121 C GLU A 10 10.455 26.906 -7.938 1.00 25.00 C ATOM 122 O GLU A 10 10.894 26.043 -7.196 1.00 25.00 O ATOM 123 CB GLU A 10 9.264 28.008 -6.025 1.00 25.00 C ATOM 124 CG GLU A 10 8.393 29.183 -5.496 1.00 25.00 C ATOM 125 CD GLU A 10 6.884 29.016 -5.794 1.00 25.00 C ATOM 126 OE1 GLU A 10 6.080 29.075 -4.843 1.00 25.00 O ATOM 127 OE2 GLU A 10 6.497 28.878 -6.988 1.00 25.00 O ATOM 0 H GLU A 10 7.980 28.871 -7.890 1.00 25.00 H new ATOM 0 HA GLU A 10 10.772 28.914 -7.361 1.00 25.00 H new ATOM 0 HB2 GLU A 10 8.644 27.113 -6.080 1.00 25.00 H new ATOM 0 HB3 GLU A 10 10.053 27.806 -5.300 1.00 25.00 H new ATOM 0 HG2 GLU A 10 8.535 29.274 -4.419 1.00 25.00 H new ATOM 0 HG3 GLU A 10 8.743 30.114 -5.943 1.00 25.00 H new ATOM 134 N ILE A 11 10.392 26.740 -9.245 1.00 25.00 N ATOM 135 CA ILE A 11 10.727 25.528 -9.934 1.00 25.00 C ATOM 136 C ILE A 11 12.228 25.478 -10.261 1.00 25.00 C ATOM 137 O ILE A 11 12.725 24.591 -10.955 1.00 25.00 O ATOM 138 CB ILE A 11 9.842 25.481 -11.225 1.00 25.00 C ATOM 139 CG1 ILE A 11 8.379 25.932 -10.940 1.00 25.00 C ATOM 140 CG2 ILE A 11 9.810 24.118 -11.787 1.00 25.00 C ATOM 141 CD1 ILE A 11 7.596 25.103 -9.861 1.00 25.00 C ATOM 0 H ILE A 11 10.092 27.484 -9.875 1.00 25.00 H new ATOM 0 HA ILE A 11 10.529 24.655 -9.313 1.00 25.00 H new ATOM 0 HB ILE A 11 10.293 26.170 -11.939 1.00 25.00 H new ATOM 0 HG12 ILE A 11 8.397 26.975 -10.624 1.00 25.00 H new ATOM 0 HG13 ILE A 11 7.820 25.892 -11.875 1.00 25.00 H new ATOM 0 HG21 ILE A 11 9.190 24.108 -12.683 1.00 25.00 H new ATOM 0 HG22 ILE A 11 10.823 23.806 -12.043 1.00 25.00 H new ATOM 0 HG23 ILE A 11 9.394 23.430 -11.050 1.00 25.00 H new ATOM 0 HD11 ILE A 11 6.591 25.509 -9.749 1.00 25.00 H new ATOM 0 HD12 ILE A 11 7.533 24.062 -10.177 1.00 25.00 H new ATOM 0 HD13 ILE A 11 8.120 25.161 -8.907 1.00 25.00 H new ATOM 153 N THR A 12 12.950 26.448 -9.739 1.00 25.00 N ATOM 154 CA THR A 12 14.392 26.553 -9.965 1.00 25.00 C ATOM 155 C THR A 12 15.056 27.314 -8.825 1.00 25.00 C ATOM 156 O THR A 12 14.429 28.143 -8.175 1.00 25.00 O ATOM 157 CB THR A 12 14.695 27.253 -11.329 1.00 25.00 C ATOM 158 OG1 THR A 12 16.097 27.189 -11.606 1.00 25.00 O ATOM 159 CG2 THR A 12 14.264 28.720 -11.337 1.00 25.00 C ATOM 0 H THR A 12 12.565 27.185 -9.149 1.00 25.00 H new ATOM 0 HA THR A 12 14.802 25.544 -10.000 1.00 25.00 H new ATOM 0 HB THR A 12 14.124 26.724 -12.092 1.00 25.00 H new ATOM 0 HG1 THR A 12 16.282 27.628 -12.463 1.00 25.00 H new ATOM 0 HG21 THR A 12 14.496 29.162 -12.306 1.00 25.00 H new ATOM 0 HG22 THR A 12 13.191 28.785 -11.156 1.00 25.00 H new ATOM 0 HG23 THR A 12 14.798 29.260 -10.555 1.00 25.00 H new ATOM 167 N SER A 13 16.333 27.028 -8.586 1.00 25.00 N ATOM 168 CA SER A 13 17.094 27.709 -7.538 1.00 25.00 C ATOM 169 C SER A 13 18.578 27.758 -7.874 1.00 25.00 C ATOM 170 O SER A 13 19.267 26.741 -7.819 1.00 25.00 O ATOM 171 CB SER A 13 16.909 27.002 -6.200 1.00 25.00 C ATOM 172 OG SER A 13 17.343 25.652 -6.261 1.00 25.00 O ATOM 0 H SER A 13 16.865 26.328 -9.104 1.00 25.00 H new ATOM 0 HA SER A 13 16.715 28.729 -7.471 1.00 25.00 H new ATOM 0 HB2 SER A 13 17.468 27.530 -5.428 1.00 25.00 H new ATOM 0 HB3 SER A 13 15.858 27.035 -5.912 1.00 25.00 H new ATOM 0 HG SER A 13 18.146 25.591 -6.820 1.00 25.00 H new ATOM 178 N SER A 14 19.043 28.949 -8.231 1.00 25.00 N ATOM 179 CA SER A 14 20.454 29.218 -8.598 1.00 25.00 C ATOM 180 C SER A 14 21.224 28.045 -9.230 1.00 25.00 C ATOM 181 O SER A 14 22.243 27.596 -8.696 1.00 25.00 O ATOM 182 CB SER A 14 21.213 29.721 -7.366 1.00 25.00 C ATOM 183 OG SER A 14 22.380 30.426 -7.753 1.00 25.00 O ATOM 0 H SER A 14 18.451 29.778 -8.279 1.00 25.00 H new ATOM 0 HA SER A 14 20.400 29.972 -9.383 1.00 25.00 H new ATOM 0 HB2 SER A 14 20.568 30.371 -6.775 1.00 25.00 H new ATOM 0 HB3 SER A 14 21.485 28.878 -6.730 1.00 25.00 H new ATOM 0 HG SER A 14 22.494 31.211 -7.178 1.00 25.00 H new ATOM 189 N PRO A 15 20.762 27.544 -10.396 1.00 25.00 N ATOM 190 CA PRO A 15 21.501 26.391 -10.921 1.00 25.00 C ATOM 191 C PRO A 15 22.908 26.746 -11.393 1.00 25.00 C ATOM 192 O PRO A 15 23.823 25.935 -11.295 1.00 25.00 O ATOM 193 CB PRO A 15 20.615 25.914 -12.080 1.00 25.00 C ATOM 194 CG PRO A 15 19.911 27.149 -12.535 1.00 25.00 C ATOM 195 CD PRO A 15 19.619 27.898 -11.261 1.00 25.00 C ATOM 0 HA PRO A 15 21.672 25.629 -10.161 1.00 25.00 H new ATOM 0 HB2 PRO A 15 21.210 25.476 -12.882 1.00 25.00 H new ATOM 0 HB3 PRO A 15 19.909 25.150 -11.753 1.00 25.00 H new ATOM 0 HG2 PRO A 15 20.534 27.737 -13.209 1.00 25.00 H new ATOM 0 HG3 PRO A 15 18.995 26.909 -13.075 1.00 25.00 H new ATOM 0 HD2 PRO A 15 19.559 28.973 -11.430 1.00 25.00 H new ATOM 0 HD3 PRO A 15 18.670 27.591 -10.821 1.00 25.00 H new ATOM 203 N GLN A 16 23.103 27.977 -11.848 1.00 25.00 N ATOM 204 CA GLN A 16 24.429 28.414 -12.276 1.00 25.00 C ATOM 205 C GLN A 16 25.321 28.688 -11.067 1.00 25.00 C ATOM 206 O GLN A 16 26.525 28.767 -11.202 1.00 25.00 O ATOM 207 CB GLN A 16 24.328 29.654 -13.181 1.00 25.00 C ATOM 208 CG GLN A 16 23.903 30.958 -12.484 1.00 25.00 C ATOM 209 CD GLN A 16 25.087 31.774 -11.982 1.00 25.00 C ATOM 210 OE1 GLN A 16 25.344 31.837 -10.797 1.00 25.00 O ATOM 211 NE2 GLN A 16 25.788 32.412 -12.883 1.00 25.00 N ATOM 0 H GLN A 16 22.372 28.683 -11.930 1.00 25.00 H new ATOM 0 HA GLN A 16 24.885 27.612 -12.856 1.00 25.00 H new ATOM 0 HB2 GLN A 16 25.297 29.816 -13.653 1.00 25.00 H new ATOM 0 HB3 GLN A 16 23.616 29.442 -13.978 1.00 25.00 H new ATOM 0 HG2 GLN A 16 23.320 31.562 -13.179 1.00 25.00 H new ATOM 0 HG3 GLN A 16 23.250 30.719 -11.644 1.00 25.00 H new ATOM 0 HE21 GLN A 16 25.542 32.335 -13.870 1.00 25.00 H new ATOM 0 HE22 GLN A 16 26.581 32.987 -12.599 1.00 25.00 H new ATOM 220 N GLY A 17 24.728 28.808 -9.882 1.00 25.00 N ATOM 221 CA GLY A 17 25.503 29.071 -8.681 1.00 25.00 C ATOM 222 C GLY A 17 26.169 27.816 -8.168 1.00 25.00 C ATOM 223 O GLY A 17 27.132 27.868 -7.410 1.00 25.00 O ATOM 0 H GLY A 17 23.722 28.728 -9.732 1.00 25.00 H new ATOM 0 HA2 GLY A 17 26.260 29.826 -8.893 1.00 25.00 H new ATOM 0 HA3 GLY A 17 24.852 29.481 -7.909 1.00 25.00 H new ATOM 227 N LEU A 18 25.673 26.670 -8.615 1.00 25.00 N ATOM 228 CA LEU A 18 26.288 25.389 -8.258 1.00 25.00 C ATOM 229 C LEU A 18 27.614 25.260 -8.995 1.00 25.00 C ATOM 230 O LEU A 18 28.594 24.753 -8.465 1.00 25.00 O ATOM 231 CB LEU A 18 25.377 24.226 -8.659 1.00 25.00 C ATOM 232 CG LEU A 18 23.970 24.235 -8.050 1.00 25.00 C ATOM 233 CD1 LEU A 18 23.148 23.103 -8.657 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.009 24.082 -6.519 1.00 25.00 C ATOM 0 H LEU A 18 24.855 26.596 -9.220 1.00 25.00 H new ATOM 0 HA LEU A 18 26.445 25.356 -7.180 1.00 25.00 H new ATOM 0 HB2 LEU A 18 25.282 24.223 -9.745 1.00 25.00 H new ATOM 0 HB3 LEU A 18 25.867 23.293 -8.379 1.00 25.00 H new ATOM 0 HG LEU A 18 23.511 25.197 -8.277 1.00 25.00 H new ATOM 0 HD11 LEU A 18 22.147 23.108 -8.225 1.00 25.00 H new ATOM 0 HD12 LEU A 18 23.078 23.242 -9.736 1.00 25.00 H new ATOM 0 HD13 LEU A 18 23.630 22.149 -8.445 1.00 25.00 H new ATOM 0 HD21 LEU A 18 22.992 24.093 -6.126 1.00 25.00 H new ATOM 0 HD22 LEU A 18 24.488 23.138 -6.260 1.00 25.00 H new ATOM 0 HD23 LEU A 18 24.575 24.907 -6.085 1.00 25.00 H new ATOM 246 N ASP A 19 27.615 25.744 -10.228 1.00 25.00 N ATOM 247 CA ASP A 19 28.797 25.730 -11.085 1.00 25.00 C ATOM 248 C ASP A 19 29.741 26.864 -10.695 1.00 25.00 C ATOM 249 O ASP A 19 30.958 26.729 -10.721 1.00 25.00 O ATOM 250 CB ASP A 19 28.346 25.923 -12.533 1.00 25.00 C ATOM 251 CG ASP A 19 29.475 25.736 -13.526 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.896 26.746 -14.134 1.00 25.00 O ATOM 253 OD2 ASP A 19 29.886 24.579 -13.756 1.00 25.00 O ATOM 0 H ASP A 19 26.793 26.160 -10.667 1.00 25.00 H new ATOM 0 HA ASP A 19 29.322 24.781 -10.972 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.548 25.215 -12.758 1.00 25.00 H new ATOM 0 HB3 ASP A 19 27.927 26.923 -12.649 1.00 25.00 H new ATOM 258 N ASN A 20 29.146 27.979 -10.297 1.00 25.00 N ATOM 259 CA ASN A 20 29.885 29.161 -9.874 1.00 25.00 C ATOM 260 C ASN A 20 29.712 29.434 -8.379 1.00 25.00 C ATOM 261 O ASN A 20 28.884 30.270 -7.979 1.00 25.00 O ATOM 262 CB ASN A 20 29.408 30.395 -10.646 1.00 25.00 C ATOM 263 CG ASN A 20 30.260 30.709 -11.827 1.00 25.00 C ATOM 264 OD1 ASN A 20 31.459 30.887 -11.704 1.00 25.00 O ATOM 265 ND2 ASN A 20 29.635 30.904 -12.949 1.00 25.00 N ATOM 0 H ASN A 20 28.133 28.090 -10.258 1.00 25.00 H new ATOM 0 HA ASN A 20 30.937 28.966 -10.081 1.00 25.00 H new ATOM 0 HB2 ASN A 20 28.382 30.235 -10.978 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.396 31.254 -9.975 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.150 31.219 -13.772 1.00 25.00 H new ATOM 0 HD22 ASN A 20 28.630 30.743 -13.007 1.00 25.00 H new ATOM 272 N PRO A 21 30.571 28.841 -7.535 1.00 25.00 N ATOM 273 CA PRO A 21 30.532 29.245 -6.125 1.00 25.00 C ATOM 274 C PRO A 21 30.826 30.728 -5.951 1.00 25.00 C ATOM 275 O PRO A 21 30.359 31.345 -5.012 1.00 25.00 O ATOM 276 CB PRO A 21 31.656 28.420 -5.490 1.00 25.00 C ATOM 277 CG PRO A 21 32.536 28.051 -6.611 1.00 25.00 C ATOM 278 CD PRO A 21 31.632 27.848 -7.775 1.00 25.00 C ATOM 0 HA PRO A 21 29.551 29.080 -5.680 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.194 28.998 -4.739 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.262 27.535 -4.989 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.265 28.836 -6.812 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.098 27.144 -6.387 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.144 28.023 -8.721 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.237 26.833 -7.809 1.00 25.00 H new ATOM 286 N ALA A 22 31.581 31.303 -6.877 1.00 25.00 N ATOM 287 CA ALA A 22 31.922 32.718 -6.828 1.00 25.00 C ATOM 288 C ALA A 22 30.663 33.588 -6.846 1.00 25.00 C ATOM 289 O ALA A 22 30.534 34.520 -6.054 1.00 25.00 O ATOM 290 CB ALA A 22 32.823 33.054 -8.018 1.00 25.00 C ATOM 0 H ALA A 22 31.972 30.806 -7.678 1.00 25.00 H new ATOM 0 HA ALA A 22 32.451 32.925 -5.898 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.084 34.112 -7.990 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.732 32.455 -7.967 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.296 32.835 -8.947 1.00 25.00 H new ATOM 296 N LEU A 23 29.758 33.265 -7.759 1.00 25.00 N ATOM 297 CA LEU A 23 28.522 34.012 -7.958 1.00 25.00 C ATOM 298 C LEU A 23 27.542 33.741 -6.832 1.00 25.00 C ATOM 299 O LEU A 23 26.881 34.646 -6.346 1.00 25.00 O ATOM 300 CB LEU A 23 27.868 33.583 -9.280 1.00 25.00 C ATOM 301 CG LEU A 23 28.412 34.126 -10.622 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.898 35.516 -10.808 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.946 34.150 -10.773 1.00 25.00 C ATOM 0 H LEU A 23 29.861 32.469 -8.389 1.00 25.00 H new ATOM 0 HA LEU A 23 28.767 35.074 -7.978 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.915 32.495 -9.327 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.814 33.854 -9.224 1.00 25.00 H new ATOM 0 HG LEU A 23 28.060 33.427 -11.380 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.270 35.919 -11.750 1.00 25.00 H new ATOM 0 HD12 LEU A 23 26.808 35.502 -10.825 1.00 25.00 H new ATOM 0 HD13 LEU A 23 28.240 36.144 -9.985 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.209 34.550 -11.752 1.00 25.00 H new ATOM 0 HD22 LEU A 23 30.378 34.780 -9.996 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.337 33.137 -10.678 1.00 25.00 H new ATOM 315 N LEU A 24 27.447 32.488 -6.418 1.00 25.00 N ATOM 316 CA LEU A 24 26.516 32.129 -5.352 1.00 25.00 C ATOM 317 C LEU A 24 26.936 32.781 -4.039 1.00 25.00 C ATOM 318 O LEU A 24 26.100 33.287 -3.310 1.00 25.00 O ATOM 319 CB LEU A 24 26.441 30.604 -5.207 1.00 25.00 C ATOM 320 CG LEU A 24 25.417 30.042 -4.204 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.055 30.742 -4.264 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.223 28.560 -4.473 1.00 25.00 C ATOM 0 H LEU A 24 27.991 31.712 -6.794 1.00 25.00 H new ATOM 0 HA LEU A 24 25.523 32.498 -5.611 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.220 30.182 -6.187 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.429 30.243 -4.920 1.00 25.00 H new ATOM 0 HG LEU A 24 25.821 30.219 -3.207 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.384 30.295 -3.531 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.181 31.802 -4.042 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.631 30.628 -5.262 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.499 28.154 -3.767 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.856 28.420 -5.490 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.174 28.041 -4.356 1.00 25.00 H new ATOM 334 N ARG A 25 28.234 32.827 -3.779 1.00 25.00 N ATOM 335 CA ARG A 25 28.776 33.506 -2.604 1.00 25.00 C ATOM 336 C ARG A 25 28.379 34.973 -2.644 1.00 25.00 C ATOM 337 O ARG A 25 27.990 35.537 -1.634 1.00 25.00 O ATOM 338 CB ARG A 25 30.307 33.343 -2.613 1.00 25.00 C ATOM 339 CG ARG A 25 31.111 34.139 -1.574 1.00 25.00 C ATOM 340 CD ARG A 25 31.509 35.540 -2.061 1.00 25.00 C ATOM 341 NE ARG A 25 32.134 35.546 -3.396 1.00 25.00 N ATOM 342 CZ ARG A 25 33.305 36.088 -3.701 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.078 36.657 -2.808 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.703 36.054 -4.939 1.00 25.00 N ATOM 0 H ARG A 25 28.943 32.397 -4.373 1.00 25.00 H new ATOM 0 HA ARG A 25 28.378 33.073 -1.686 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.534 32.286 -2.476 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.669 33.620 -3.603 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.522 34.232 -0.662 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.011 33.582 -1.316 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.622 36.174 -2.081 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.200 35.982 -1.344 1.00 25.00 H new ATOM 0 HE ARG A 25 31.620 35.093 -4.152 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.786 36.696 -1.831 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.971 37.061 -3.090 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.118 35.617 -5.651 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.600 36.464 -5.198 1.00 25.00 H new ATOM 358 N ASP A 26 28.484 35.579 -3.813 1.00 25.00 N ATOM 359 CA ASP A 26 28.183 37.002 -3.976 1.00 25.00 C ATOM 360 C ASP A 26 26.703 37.289 -3.709 1.00 25.00 C ATOM 361 O ASP A 26 26.356 38.190 -2.950 1.00 25.00 O ATOM 362 CB ASP A 26 28.563 37.436 -5.396 1.00 25.00 C ATOM 363 CG ASP A 26 28.864 38.911 -5.491 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.386 39.552 -6.445 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.675 39.399 -4.675 1.00 25.00 O ATOM 0 H ASP A 26 28.776 35.111 -4.671 1.00 25.00 H new ATOM 0 HA ASP A 26 28.764 37.570 -3.250 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.434 36.869 -5.724 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.748 37.191 -6.077 1.00 25.00 H new ATOM 370 N MET A 27 25.838 36.462 -4.287 1.00 25.00 N ATOM 371 CA MET A 27 24.388 36.579 -4.095 1.00 25.00 C ATOM 372 C MET A 27 24.040 36.413 -2.629 1.00 25.00 C ATOM 373 O MET A 27 23.306 37.202 -2.062 1.00 25.00 O ATOM 374 CB MET A 27 23.679 35.498 -4.919 1.00 25.00 C ATOM 375 CG MET A 27 22.154 35.618 -4.954 1.00 25.00 C ATOM 376 SD MET A 27 21.268 35.081 -3.456 1.00 25.00 S ATOM 377 CE MET A 27 21.426 33.294 -3.520 1.00 25.00 C ATOM 0 H MET A 27 26.115 35.695 -4.899 1.00 25.00 H new ATOM 0 HA MET A 27 24.061 37.565 -4.424 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.056 35.534 -5.941 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.944 34.521 -4.515 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.897 36.659 -5.149 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.784 35.035 -5.798 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.471 32.854 -3.809 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.187 33.022 -4.252 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.716 32.919 -2.539 1.00 25.00 H new ATOM 387 N LEU A 28 24.588 35.374 -2.026 1.00 25.00 N ATOM 388 CA LEU A 28 24.313 35.067 -0.628 1.00 25.00 C ATOM 389 C LEU A 28 24.730 36.176 0.316 1.00 25.00 C ATOM 390 O LEU A 28 24.011 36.493 1.248 1.00 25.00 O ATOM 391 CB LEU A 28 25.034 33.798 -0.237 1.00 25.00 C ATOM 392 CG LEU A 28 24.251 32.530 -0.553 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.196 31.369 -0.534 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.146 32.330 0.469 1.00 25.00 C ATOM 0 H LEU A 28 25.229 34.724 -2.482 1.00 25.00 H new ATOM 0 HA LEU A 28 23.233 34.949 -0.539 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.993 33.761 -0.754 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.248 33.826 0.831 1.00 25.00 H new ATOM 0 HG LEU A 28 23.791 32.613 -1.538 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.651 30.452 -0.759 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.974 31.521 -1.282 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.652 31.287 0.453 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.593 31.421 0.233 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.582 32.242 1.464 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.469 33.184 0.444 1.00 25.00 H new ATOM 406 N LEU A 29 25.889 36.767 0.083 1.00 25.00 N ATOM 407 CA LEU A 29 26.356 37.858 0.944 1.00 25.00 C ATOM 408 C LEU A 29 25.433 39.061 0.825 1.00 25.00 C ATOM 409 O LEU A 29 25.205 39.780 1.800 1.00 25.00 O ATOM 410 CB LEU A 29 27.781 38.275 0.571 1.00 25.00 C ATOM 411 CG LEU A 29 28.901 37.306 0.978 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.193 37.744 0.315 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.093 37.237 2.491 1.00 25.00 C ATOM 0 H LEU A 29 26.520 36.521 -0.680 1.00 25.00 H new ATOM 0 HA LEU A 29 26.350 37.497 1.972 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.825 38.415 -0.509 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.984 39.244 1.027 1.00 25.00 H new ATOM 0 HG LEU A 29 28.617 36.307 0.648 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.996 37.063 0.597 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.069 37.730 -0.768 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.444 38.754 0.639 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.896 36.538 2.724 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.351 38.226 2.871 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.169 36.898 2.960 1.00 25.00 H new ATOM 425 N ALA A 30 24.901 39.275 -0.368 1.00 25.00 N ATOM 426 CA ALA A 30 23.997 40.390 -0.620 1.00 25.00 C ATOM 427 C ALA A 30 22.559 40.100 -0.156 1.00 25.00 C ATOM 428 O ALA A 30 21.739 41.016 -0.079 1.00 25.00 O ATOM 429 CB ALA A 30 24.007 40.717 -2.120 1.00 25.00 C ATOM 0 H ALA A 30 25.080 38.688 -1.183 1.00 25.00 H new ATOM 0 HA ALA A 30 24.352 41.243 -0.041 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.332 41.551 -2.315 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.017 40.988 -2.427 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.678 39.845 -2.685 1.00 25.00 H new ATOM 435 N ASN A 31 22.236 38.837 0.104 1.00 25.00 N ATOM 436 CA ASN A 31 20.858 38.447 0.409 1.00 25.00 C ATOM 437 C ASN A 31 20.684 38.051 1.872 1.00 25.00 C ATOM 438 O ASN A 31 21.022 36.931 2.267 1.00 25.00 O ATOM 439 CB ASN A 31 20.434 37.288 -0.494 1.00 25.00 C ATOM 440 CG ASN A 31 18.955 37.060 -0.467 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.304 37.225 0.561 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.417 36.663 -1.580 1.00 25.00 N ATOM 0 H ASN A 31 22.905 38.067 0.110 1.00 25.00 H new ATOM 0 HA ASN A 31 20.224 39.314 0.224 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.749 37.493 -1.517 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.946 36.379 -0.179 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.415 36.475 -1.624 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.996 36.539 -2.411 1.00 25.00 H new ATOM 449 N PRO A 32 20.117 38.946 2.697 1.00 25.00 N ATOM 450 CA PRO A 32 20.003 38.593 4.115 1.00 25.00 C ATOM 451 C PRO A 32 19.051 37.436 4.421 1.00 25.00 C ATOM 452 O PRO A 32 19.204 36.765 5.439 1.00 25.00 O ATOM 453 CB PRO A 32 19.518 39.899 4.750 1.00 25.00 C ATOM 454 CG PRO A 32 18.776 40.579 3.659 1.00 25.00 C ATOM 455 CD PRO A 32 19.586 40.298 2.439 1.00 25.00 C ATOM 0 HA PRO A 32 20.951 38.222 4.503 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.876 39.709 5.610 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.353 40.505 5.102 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.762 40.190 3.563 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.690 41.650 3.843 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.977 40.327 1.535 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.385 41.027 2.308 1.00 25.00 H new ATOM 463 N HIS A 33 18.068 37.189 3.563 1.00 25.00 N ATOM 464 CA HIS A 33 17.135 36.092 3.795 1.00 25.00 C ATOM 465 C HIS A 33 17.769 34.755 3.431 1.00 25.00 C ATOM 466 O HIS A 33 17.662 33.779 4.174 1.00 25.00 O ATOM 467 CB HIS A 33 15.853 36.289 2.981 1.00 25.00 C ATOM 468 CG HIS A 33 14.782 35.299 3.313 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.105 35.267 4.507 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.265 34.268 2.587 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.242 34.262 4.472 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.294 33.616 3.326 1.00 25.00 N ATOM 0 H HIS A 33 17.897 37.725 2.712 1.00 25.00 H new ATOM 0 HA HIS A 33 16.886 36.088 4.856 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.473 37.296 3.153 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.090 36.215 1.920 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.568 34.000 1.585 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.578 34.005 5.284 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.738 32.809 3.044 1.00 25.00 H new ATOM 480 N GLU A 34 18.445 34.717 2.293 1.00 25.00 N ATOM 481 CA GLU A 34 19.023 33.469 1.794 1.00 25.00 C ATOM 482 C GLU A 34 20.177 33.077 2.698 1.00 25.00 C ATOM 483 O GLU A 34 20.355 31.924 3.042 1.00 25.00 O ATOM 484 CB GLU A 34 19.499 33.616 0.343 1.00 25.00 C ATOM 485 CG GLU A 34 18.701 32.803 -0.688 1.00 25.00 C ATOM 486 CD GLU A 34 19.166 31.334 -0.835 1.00 25.00 C ATOM 487 OE1 GLU A 34 18.873 30.724 -1.894 1.00 25.00 O ATOM 488 OE2 GLU A 34 19.844 30.795 0.069 1.00 25.00 O ATOM 0 H GLU A 34 18.609 35.529 1.697 1.00 25.00 H new ATOM 0 HA GLU A 34 18.261 32.690 1.804 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.454 34.669 0.067 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.546 33.317 0.288 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.648 32.813 -0.406 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.775 33.295 -1.658 1.00 25.00 H new ATOM 495 N LEU A 35 20.933 34.058 3.156 1.00 25.00 N ATOM 496 CA LEU A 35 22.046 33.778 4.052 1.00 25.00 C ATOM 497 C LEU A 35 21.547 33.275 5.412 1.00 25.00 C ATOM 498 O LEU A 35 22.209 32.468 6.064 1.00 25.00 O ATOM 499 CB LEU A 35 22.950 35.003 4.136 1.00 25.00 C ATOM 500 CG LEU A 35 22.741 36.153 5.123 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.977 35.808 6.583 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.714 37.223 4.685 1.00 25.00 C ATOM 0 H LEU A 35 20.802 35.044 2.928 1.00 25.00 H new ATOM 0 HA LEU A 35 22.652 32.964 3.654 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.957 34.627 4.316 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.950 35.451 3.142 1.00 25.00 H new ATOM 0 HG LEU A 35 21.694 36.456 5.094 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.803 36.691 7.198 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.293 35.015 6.885 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.005 35.471 6.716 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.627 38.086 5.345 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.730 36.832 4.732 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.488 37.524 3.662 1.00 25.00 H new ATOM 514 N SER A 36 20.365 33.726 5.819 1.00 25.00 N ATOM 515 CA SER A 36 19.758 33.317 7.085 1.00 25.00 C ATOM 516 C SER A 36 19.222 31.901 6.993 1.00 25.00 C ATOM 517 O SER A 36 19.488 31.079 7.854 1.00 25.00 O ATOM 518 CB SER A 36 18.623 34.262 7.485 1.00 25.00 C ATOM 519 OG SER A 36 18.127 33.933 8.775 1.00 25.00 O ATOM 0 H SER A 36 19.800 34.384 5.283 1.00 25.00 H new ATOM 0 HA SER A 36 20.537 33.358 7.846 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.981 35.291 7.479 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.817 34.201 6.754 1.00 25.00 H new ATOM 0 HG SER A 36 17.403 34.549 9.014 1.00 25.00 H new ATOM 525 N LEU A 37 18.501 31.584 5.932 1.00 25.00 N ATOM 526 CA LEU A 37 17.980 30.231 5.785 1.00 25.00 C ATOM 527 C LEU A 37 19.105 29.266 5.630 1.00 25.00 C ATOM 528 O LEU A 37 19.015 28.117 6.014 1.00 25.00 O ATOM 529 CB LEU A 37 17.013 30.151 4.625 1.00 25.00 C ATOM 530 CG LEU A 37 17.385 30.382 3.168 1.00 25.00 C ATOM 531 CD1 LEU A 37 17.909 29.161 2.530 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.149 30.867 2.411 1.00 25.00 C ATOM 0 H LEU A 37 18.265 32.225 5.175 1.00 25.00 H new ATOM 0 HA LEU A 37 17.427 29.964 6.686 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.573 29.155 4.669 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.217 30.861 4.848 1.00 25.00 H new ATOM 0 HG LEU A 37 18.175 31.132 3.135 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.161 29.373 1.491 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.802 28.828 3.060 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.152 28.378 2.567 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.406 31.035 1.365 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.364 30.113 2.475 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.794 31.799 2.852 1.00 25.00 H new ATOM 544 N LEU A 38 20.186 29.742 5.058 1.00 25.00 N ATOM 545 CA LEU A 38 21.344 28.922 4.854 1.00 25.00 C ATOM 546 C LEU A 38 22.055 28.568 6.146 1.00 25.00 C ATOM 547 O LEU A 38 22.425 27.420 6.332 1.00 25.00 O ATOM 548 CB LEU A 38 22.257 29.650 3.914 1.00 25.00 C ATOM 549 CG LEU A 38 23.490 28.842 3.476 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.094 27.635 2.642 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.473 29.691 2.710 1.00 25.00 C ATOM 0 H LEU A 38 20.282 30.701 4.725 1.00 25.00 H new ATOM 0 HA LEU A 38 21.031 27.968 4.429 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.692 29.938 3.027 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.592 30.571 4.391 1.00 25.00 H new ATOM 0 HG LEU A 38 23.975 28.494 4.388 1.00 25.00 H new ATOM 0 HD11 LEU A 38 23.989 27.086 2.349 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.445 26.985 3.228 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.564 27.968 1.750 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.329 29.083 2.419 1.00 25.00 H new ATOM 0 HD22 LEU A 38 23.991 30.090 1.817 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.810 30.515 3.339 1.00 25.00 H new ATOM 563 N LYS A 39 22.208 29.513 7.062 1.00 25.00 N ATOM 564 CA LYS A 39 22.795 29.176 8.369 1.00 25.00 C ATOM 565 C LYS A 39 21.867 28.263 9.156 1.00 25.00 C ATOM 566 O LYS A 39 22.335 27.469 9.963 1.00 25.00 O ATOM 567 CB LYS A 39 23.192 30.418 9.188 1.00 25.00 C ATOM 568 CG LYS A 39 22.118 31.489 9.297 1.00 25.00 C ATOM 569 CD LYS A 39 22.391 32.519 10.379 1.00 25.00 C ATOM 570 CE LYS A 39 23.505 33.477 9.966 1.00 25.00 C ATOM 571 NZ LYS A 39 23.677 34.563 10.989 1.00 25.00 N ATOM 0 H LYS A 39 21.946 30.491 6.941 1.00 25.00 H new ATOM 0 HA LYS A 39 23.722 28.639 8.170 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.468 30.098 10.193 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.081 30.861 8.739 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.026 31.998 8.338 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.159 31.011 9.497 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.481 33.083 10.585 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.668 32.013 11.304 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.439 32.928 9.851 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.272 33.917 8.996 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.439 35.204 10.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.790 35.098 11.080 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.921 34.140 11.907 1.00 25.00 H new ATOM 585 N GLU A 40 20.574 28.335 8.885 1.00 25.00 N ATOM 586 CA GLU A 40 19.619 27.428 9.518 1.00 25.00 C ATOM 587 C GLU A 40 19.678 26.021 8.902 1.00 25.00 C ATOM 588 O GLU A 40 19.829 25.031 9.615 1.00 25.00 O ATOM 589 CB GLU A 40 18.203 27.987 9.371 1.00 25.00 C ATOM 590 CG GLU A 40 17.932 29.183 10.270 1.00 25.00 C ATOM 591 CD GLU A 40 16.526 29.727 10.093 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.764 29.735 11.081 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.187 30.156 8.967 1.00 25.00 O ATOM 0 H GLU A 40 20.160 29.005 8.237 1.00 25.00 H new ATOM 0 HA GLU A 40 19.884 27.348 10.572 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.040 28.277 8.333 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.484 27.200 9.598 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.079 28.894 11.311 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.654 29.970 10.052 1.00 25.00 H new ATOM 600 N ARG A 41 19.549 25.922 7.583 1.00 25.00 N ATOM 601 CA ARG A 41 19.499 24.596 6.926 1.00 25.00 C ATOM 602 C ARG A 41 20.837 23.915 6.694 1.00 25.00 C ATOM 603 O ARG A 41 20.925 22.692 6.599 1.00 25.00 O ATOM 604 CB ARG A 41 18.744 24.682 5.598 1.00 25.00 C ATOM 605 CG ARG A 41 19.464 25.313 4.403 1.00 25.00 C ATOM 606 CD ARG A 41 18.488 25.418 3.217 1.00 25.00 C ATOM 607 NE ARG A 41 19.034 26.162 2.066 1.00 25.00 N ATOM 608 CZ ARG A 41 18.378 26.409 0.929 1.00 25.00 C ATOM 609 NH1 ARG A 41 17.171 25.939 0.700 1.00 25.00 N ATOM 610 NH2 ARG A 41 18.936 27.154 0.012 1.00 25.00 N ATOM 0 H ARG A 41 19.478 26.718 6.949 1.00 25.00 H new ATOM 0 HA ARG A 41 18.974 23.968 7.646 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.449 23.671 5.315 1.00 25.00 H new ATOM 0 HB3 ARG A 41 17.827 25.245 5.771 1.00 25.00 H new ATOM 0 HG2 ARG A 41 19.838 26.302 4.670 1.00 25.00 H new ATOM 0 HG3 ARG A 41 20.328 24.710 4.125 1.00 25.00 H new ATOM 0 HD2 ARG A 41 18.214 24.414 2.893 1.00 25.00 H new ATOM 0 HD3 ARG A 41 17.573 25.905 3.553 1.00 25.00 H new ATOM 0 HE ARG A 41 19.988 26.516 2.145 1.00 25.00 H new ATOM 0 HH11 ARG A 41 16.705 25.365 1.403 1.00 25.00 H new ATOM 0 HH12 ARG A 41 16.701 26.149 -0.181 1.00 25.00 H new ATOM 0 HH21 ARG A 41 19.866 27.542 0.167 1.00 25.00 H new ATOM 0 HH22 ARG A 41 18.441 27.347 -0.859 1.00 25.00 H new ATOM 624 N ASN A 42 21.855 24.725 6.519 1.00 25.00 N ATOM 625 CA ASN A 42 23.208 24.248 6.208 1.00 25.00 C ATOM 626 C ASN A 42 24.329 24.997 6.947 1.00 25.00 C ATOM 627 O ASN A 42 25.129 25.707 6.317 1.00 25.00 O ATOM 628 CB ASN A 42 23.456 24.378 4.704 1.00 25.00 C ATOM 629 CG ASN A 42 24.570 23.492 4.228 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.269 22.877 5.003 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.732 23.416 2.945 1.00 25.00 N ATOM 0 H ASN A 42 21.781 25.740 6.586 1.00 25.00 H new ATOM 0 HA ASN A 42 23.243 23.212 6.544 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.542 24.129 4.165 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.693 25.415 4.466 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.467 22.824 2.558 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.125 23.948 2.322 1.00 25.00 H new ATOM 638 N PRO A 43 24.437 24.819 8.277 1.00 25.00 N ATOM 639 CA PRO A 43 25.525 25.556 8.939 1.00 25.00 C ATOM 640 C PRO A 43 26.975 25.353 8.424 1.00 25.00 C ATOM 641 O PRO A 43 27.719 26.331 8.384 1.00 25.00 O ATOM 642 CB PRO A 43 25.375 25.160 10.418 1.00 25.00 C ATOM 643 CG PRO A 43 24.577 23.898 10.411 1.00 25.00 C ATOM 644 CD PRO A 43 23.648 24.028 9.241 1.00 25.00 C ATOM 0 HA PRO A 43 25.409 26.618 8.724 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.348 25.007 10.884 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.869 25.942 10.985 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.221 23.025 10.307 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.023 23.777 11.342 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.372 23.055 8.835 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.722 24.533 9.515 1.00 25.00 H new ATOM 652 N PRO A 44 27.389 24.135 7.976 1.00 25.00 N ATOM 653 CA PRO A 44 28.777 24.156 7.488 1.00 25.00 C ATOM 654 C PRO A 44 29.018 24.941 6.187 1.00 25.00 C ATOM 655 O PRO A 44 30.105 25.482 5.989 1.00 25.00 O ATOM 656 CB PRO A 44 29.098 22.671 7.296 1.00 25.00 C ATOM 657 CG PRO A 44 27.813 22.060 6.979 1.00 25.00 C ATOM 658 CD PRO A 44 26.829 22.769 7.878 1.00 25.00 C ATOM 0 HA PRO A 44 29.417 24.681 8.197 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.818 22.521 6.492 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.532 22.239 8.198 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.558 22.193 5.928 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.825 20.987 7.171 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.825 22.774 7.453 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.759 22.291 8.855 1.00 25.00 H new ATOM 666 N LEU A 45 28.034 25.043 5.296 1.00 25.00 N ATOM 667 CA LEU A 45 28.229 25.876 4.105 1.00 25.00 C ATOM 668 C LEU A 45 28.117 27.330 4.517 1.00 25.00 C ATOM 669 O LEU A 45 28.816 28.198 4.002 1.00 25.00 O ATOM 670 CB LEU A 45 27.214 25.559 3.013 1.00 25.00 C ATOM 671 CG LEU A 45 27.400 26.324 1.683 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.808 26.162 1.086 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.365 25.830 0.673 1.00 25.00 C ATOM 0 H LEU A 45 27.127 24.581 5.366 1.00 25.00 H new ATOM 0 HA LEU A 45 29.215 25.669 3.690 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.254 24.490 2.805 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.216 25.772 3.397 1.00 25.00 H new ATOM 0 HG LEU A 45 27.265 27.384 1.899 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.875 26.723 0.154 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.548 26.541 1.791 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.001 25.107 0.890 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.490 26.366 -0.268 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.503 24.762 0.504 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.363 26.010 1.062 1.00 25.00 H new ATOM 685 N ALA A 46 27.235 27.592 5.464 1.00 25.00 N ATOM 686 CA ALA A 46 27.057 28.943 5.947 1.00 25.00 C ATOM 687 C ALA A 46 28.328 29.500 6.585 1.00 25.00 C ATOM 688 O ALA A 46 28.726 30.588 6.242 1.00 25.00 O ATOM 689 CB ALA A 46 25.923 29.003 6.915 1.00 25.00 C ATOM 0 H ALA A 46 26.638 26.894 5.908 1.00 25.00 H new ATOM 0 HA ALA A 46 26.827 29.567 5.084 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.801 30.026 7.270 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.006 28.678 6.422 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.132 28.348 7.761 1.00 25.00 H new ATOM 695 N GLU A 47 28.972 28.771 7.492 1.00 25.00 N ATOM 696 CA GLU A 47 30.177 29.296 8.161 1.00 25.00 C ATOM 697 C GLU A 47 31.275 29.631 7.150 1.00 25.00 C ATOM 698 O GLU A 47 32.038 30.576 7.331 1.00 25.00 O ATOM 699 CB GLU A 47 30.713 28.331 9.231 1.00 25.00 C ATOM 700 CG GLU A 47 31.230 26.999 8.699 1.00 25.00 C ATOM 701 CD GLU A 47 31.868 26.147 9.775 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.950 26.534 10.270 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.325 25.067 10.091 1.00 25.00 O ATOM 0 H GLU A 47 28.694 27.833 7.782 1.00 25.00 H new ATOM 0 HA GLU A 47 29.877 30.215 8.664 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.519 28.826 9.773 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.919 28.134 9.951 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.405 26.448 8.247 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.958 27.186 7.910 1.00 25.00 H new ATOM 710 N ALA A 48 31.316 28.886 6.056 1.00 25.00 N ATOM 711 CA ALA A 48 32.245 29.129 4.985 1.00 25.00 C ATOM 712 C ALA A 48 31.990 30.500 4.345 1.00 25.00 C ATOM 713 O ALA A 48 32.922 31.244 4.045 1.00 25.00 O ATOM 714 CB ALA A 48 32.109 28.004 3.949 1.00 25.00 C ATOM 0 H ALA A 48 30.697 28.092 5.894 1.00 25.00 H new ATOM 0 HA ALA A 48 33.262 29.138 5.377 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.808 28.176 3.131 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.331 27.047 4.420 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.091 27.989 3.559 1.00 25.00 H new ATOM 720 N LEU A 49 30.717 30.831 4.189 1.00 25.00 N ATOM 721 CA LEU A 49 30.293 32.114 3.633 1.00 25.00 C ATOM 722 C LEU A 49 30.575 33.242 4.618 1.00 25.00 C ATOM 723 O LEU A 49 31.068 34.299 4.234 1.00 25.00 O ATOM 724 CB LEU A 49 28.783 32.076 3.356 1.00 25.00 C ATOM 725 CG LEU A 49 28.190 33.338 2.721 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.374 33.302 1.216 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.713 33.441 3.087 1.00 25.00 C ATOM 0 H LEU A 49 29.943 30.217 4.444 1.00 25.00 H new ATOM 0 HA LEU A 49 30.846 32.291 2.711 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.574 31.230 2.701 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.265 31.887 4.296 1.00 25.00 H new ATOM 0 HG LEU A 49 28.709 34.218 3.102 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.949 34.204 0.776 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.437 33.250 0.981 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.869 32.426 0.809 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.288 34.338 2.637 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.184 32.563 2.716 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.610 33.495 4.171 1.00 25.00 H new ATOM 739 N LEU A 50 30.257 33.013 5.890 1.00 25.00 N ATOM 740 CA LEU A 50 30.390 34.047 6.927 1.00 25.00 C ATOM 741 C LEU A 50 31.846 34.444 7.088 1.00 25.00 C ATOM 742 O LEU A 50 32.171 35.560 7.467 1.00 25.00 O ATOM 743 CB LEU A 50 29.891 33.545 8.296 1.00 25.00 C ATOM 744 CG LEU A 50 28.504 32.892 8.430 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.132 32.774 9.890 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.413 33.597 7.640 1.00 25.00 C ATOM 0 H LEU A 50 29.904 32.120 6.233 1.00 25.00 H new ATOM 0 HA LEU A 50 29.787 34.896 6.607 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.623 32.824 8.660 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.914 34.395 8.978 1.00 25.00 H new ATOM 0 HG LEU A 50 28.581 31.898 7.989 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.149 32.311 9.979 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.870 32.160 10.405 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.108 33.766 10.341 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.466 33.078 7.785 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.320 34.626 7.987 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.670 33.593 6.581 1.00 25.00 H new ATOM 758 N SER A 51 32.717 33.490 6.818 1.00 25.00 N ATOM 759 CA SER A 51 34.151 33.674 6.955 1.00 25.00 C ATOM 760 C SER A 51 34.743 34.494 5.809 1.00 25.00 C ATOM 761 O SER A 51 35.849 35.010 5.927 1.00 25.00 O ATOM 762 CB SER A 51 34.789 32.306 6.972 1.00 25.00 C ATOM 763 OG SER A 51 36.163 32.365 7.328 1.00 25.00 O ATOM 0 H SER A 51 32.449 32.560 6.496 1.00 25.00 H new ATOM 0 HA SER A 51 34.347 34.223 7.876 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.258 31.667 7.678 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.688 31.847 5.989 1.00 25.00 H new ATOM 0 HG SER A 51 36.713 32.311 6.519 1.00 25.00 H new ATOM 769 N GLY A 52 34.017 34.591 4.702 1.00 25.00 N ATOM 770 CA GLY A 52 34.418 35.436 3.584 1.00 25.00 C ATOM 771 C GLY A 52 35.291 34.754 2.551 1.00 25.00 C ATOM 772 O GLY A 52 35.348 35.175 1.397 1.00 25.00 O ATOM 0 H GLY A 52 33.141 34.091 4.554 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.521 35.811 3.090 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.952 36.302 3.975 1.00 25.00 H new ATOM 776 N ASP A 53 35.979 33.703 2.965 1.00 25.00 N ATOM 777 CA ASP A 53 36.886 32.990 2.072 1.00 25.00 C ATOM 778 C ASP A 53 36.131 32.244 0.977 1.00 25.00 C ATOM 779 O ASP A 53 35.404 31.287 1.247 1.00 25.00 O ATOM 780 CB ASP A 53 37.732 31.992 2.847 1.00 25.00 C ATOM 781 CG ASP A 53 38.976 31.592 2.102 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.754 30.797 2.655 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.129 31.997 0.927 1.00 25.00 O ATOM 0 H ASP A 53 35.929 33.323 3.910 1.00 25.00 H new ATOM 0 HA ASP A 53 37.527 33.741 1.610 1.00 25.00 H new ATOM 0 HB2 ASP A 53 38.011 32.425 3.808 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.137 31.103 3.059 1.00 25.00 H new ATOM 788 N LEU A 54 36.322 32.655 -0.267 1.00 25.00 N ATOM 789 CA LEU A 54 35.693 31.956 -1.379 1.00 25.00 C ATOM 790 C LEU A 54 36.245 30.539 -1.440 1.00 25.00 C ATOM 791 O LEU A 54 35.523 29.614 -1.755 1.00 25.00 O ATOM 792 CB LEU A 54 35.957 32.675 -2.702 1.00 25.00 C ATOM 793 CG LEU A 54 35.276 32.117 -3.974 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.096 31.033 -4.680 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.838 31.626 -3.740 1.00 25.00 C ATOM 0 H LEU A 54 36.897 33.455 -0.531 1.00 25.00 H new ATOM 0 HA LEU A 54 34.615 31.935 -1.221 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.649 33.714 -2.586 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.034 32.678 -2.872 1.00 25.00 H new ATOM 0 HG LEU A 54 35.224 32.979 -4.639 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.558 30.687 -5.563 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.060 31.443 -4.980 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.254 30.196 -4.000 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.425 31.249 -4.676 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.842 30.828 -2.998 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.225 32.453 -3.380 1.00 25.00 H new ATOM 807 N GLU A 55 37.514 30.370 -1.111 1.00 25.00 N ATOM 808 CA GLU A 55 38.134 29.045 -1.169 1.00 25.00 C ATOM 809 C GLU A 55 37.381 28.064 -0.285 1.00 25.00 C ATOM 810 O GLU A 55 36.962 26.997 -0.741 1.00 25.00 O ATOM 811 CB GLU A 55 39.592 29.100 -0.714 1.00 25.00 C ATOM 812 CG GLU A 55 40.479 29.997 -1.549 1.00 25.00 C ATOM 813 CD GLU A 55 40.933 29.330 -2.843 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.076 29.066 -3.719 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.148 29.072 -2.988 1.00 25.00 O ATOM 0 H GLU A 55 38.134 31.119 -0.804 1.00 25.00 H new ATOM 0 HA GLU A 55 38.094 28.711 -2.206 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.623 29.441 0.321 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.002 28.090 -0.729 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.941 30.915 -1.787 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.354 30.282 -0.965 1.00 25.00 H new ATOM 822 N LYS A 56 37.160 28.429 0.974 1.00 25.00 N ATOM 823 CA LYS A 56 36.411 27.541 1.872 1.00 25.00 C ATOM 824 C LYS A 56 34.963 27.423 1.427 1.00 25.00 C ATOM 825 O LYS A 56 34.395 26.347 1.506 1.00 25.00 O ATOM 826 CB LYS A 56 36.538 27.948 3.357 1.00 25.00 C ATOM 827 CG LYS A 56 35.718 29.059 3.840 1.00 25.00 C ATOM 828 CD LYS A 56 36.307 29.592 5.147 1.00 25.00 C ATOM 829 CE LYS A 56 35.905 28.747 6.368 1.00 25.00 C ATOM 830 NZ LYS A 56 36.426 29.351 7.645 1.00 25.00 N ATOM 0 H LYS A 56 37.475 29.305 1.391 1.00 25.00 H new ATOM 0 HA LYS A 56 36.862 26.551 1.801 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.304 27.073 3.964 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.582 28.197 3.546 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.684 29.852 3.093 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.692 28.727 3.999 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.394 29.615 5.068 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.977 30.620 5.297 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.819 28.668 6.417 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.294 27.735 6.257 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.773 29.133 8.424 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.364 28.956 7.859 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.502 30.382 7.535 1.00 25.00 H new ATOM 844 N PHE A 57 34.382 28.493 0.905 1.00 25.00 N ATOM 845 CA PHE A 57 33.005 28.429 0.419 1.00 25.00 C ATOM 846 C PHE A 57 32.881 27.427 -0.724 1.00 25.00 C ATOM 847 O PHE A 57 32.043 26.544 -0.675 1.00 25.00 O ATOM 848 CB PHE A 57 32.505 29.806 -0.022 1.00 25.00 C ATOM 849 CG PHE A 57 31.084 29.794 -0.508 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.017 29.817 0.407 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.801 29.738 -1.887 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.676 29.786 -0.046 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.464 29.706 -2.347 1.00 25.00 C ATOM 854 CZ PHE A 57 28.404 29.734 -1.426 1.00 25.00 C ATOM 0 H PHE A 57 34.831 29.404 0.806 1.00 25.00 H new ATOM 0 HA PHE A 57 32.379 28.093 1.246 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.590 30.501 0.814 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.150 30.182 -0.816 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.222 29.859 1.466 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.613 29.719 -2.599 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.864 29.802 0.666 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.258 29.660 -3.406 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.382 29.716 -1.776 1.00 25.00 H new ATOM 864 N SER A 58 33.745 27.533 -1.720 1.00 25.00 N ATOM 865 CA SER A 58 33.753 26.630 -2.867 1.00 25.00 C ATOM 866 C SER A 58 34.038 25.200 -2.455 1.00 25.00 C ATOM 867 O SER A 58 33.386 24.261 -2.915 1.00 25.00 O ATOM 868 CB SER A 58 34.841 27.081 -3.849 1.00 25.00 C ATOM 869 OG SER A 58 34.914 26.216 -4.966 1.00 25.00 O ATOM 0 H SER A 58 34.467 28.252 -1.759 1.00 25.00 H new ATOM 0 HA SER A 58 32.766 26.664 -3.329 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.632 28.097 -4.185 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.805 27.105 -3.341 1.00 25.00 H new ATOM 0 HG SER A 58 35.615 26.528 -5.576 1.00 25.00 H new ATOM 875 N ARG A 59 34.999 25.029 -1.566 1.00 25.00 N ATOM 876 CA ARG A 59 35.375 23.698 -1.120 1.00 25.00 C ATOM 877 C ARG A 59 34.209 23.032 -0.417 1.00 25.00 C ATOM 878 O ARG A 59 33.912 21.884 -0.673 1.00 25.00 O ATOM 879 CB ARG A 59 36.594 23.777 -0.202 1.00 25.00 C ATOM 880 CG ARG A 59 37.130 22.402 0.240 1.00 25.00 C ATOM 881 CD ARG A 59 36.579 21.956 1.597 1.00 25.00 C ATOM 882 NE ARG A 59 36.525 20.486 1.710 1.00 25.00 N ATOM 883 CZ ARG A 59 36.298 19.811 2.833 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.104 20.412 3.982 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.256 18.509 2.799 1.00 25.00 N ATOM 0 H ARG A 59 35.531 25.788 -1.140 1.00 25.00 H new ATOM 0 HA ARG A 59 35.639 23.093 -1.988 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.389 24.319 -0.715 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.333 24.357 0.684 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.872 21.658 -0.514 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.218 22.441 0.290 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.204 22.359 2.394 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.580 22.368 1.737 1.00 25.00 H new ATOM 0 HE ARG A 59 36.674 19.944 0.859 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.124 21.430 4.035 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.933 19.861 4.823 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.397 18.017 1.917 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.083 17.982 3.655 1.00 25.00 H new ATOM 899 N VAL A 60 33.533 23.745 0.464 1.00 25.00 N ATOM 900 CA VAL A 60 32.403 23.164 1.173 1.00 25.00 C ATOM 901 C VAL A 60 31.239 22.996 0.195 1.00 25.00 C ATOM 902 O VAL A 60 30.480 22.047 0.301 1.00 25.00 O ATOM 903 CB VAL A 60 31.995 24.009 2.412 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.786 23.393 3.113 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.167 24.074 3.413 1.00 25.00 C ATOM 0 H VAL A 60 33.740 24.714 0.705 1.00 25.00 H new ATOM 0 HA VAL A 60 32.693 22.187 1.559 1.00 25.00 H new ATOM 0 HB VAL A 60 31.740 25.011 2.068 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.518 24.001 3.977 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.945 23.355 2.421 1.00 25.00 H new ATOM 0 HG13 VAL A 60 31.031 22.383 3.442 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.874 24.668 4.279 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.426 23.066 3.736 1.00 25.00 H new ATOM 0 HG23 VAL A 60 34.030 24.535 2.933 1.00 25.00 H new ATOM 915 N LEU A 61 31.118 23.884 -0.780 1.00 25.00 N ATOM 916 CA LEU A 61 30.041 23.792 -1.767 1.00 25.00 C ATOM 917 C LEU A 61 30.056 22.457 -2.500 1.00 25.00 C ATOM 918 O LEU A 61 29.022 21.816 -2.617 1.00 25.00 O ATOM 919 CB LEU A 61 30.147 24.929 -2.790 1.00 25.00 C ATOM 920 CG LEU A 61 28.895 25.148 -3.646 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.108 26.298 -3.065 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.247 25.466 -5.087 1.00 25.00 C ATOM 0 H LEU A 61 31.747 24.676 -0.913 1.00 25.00 H new ATOM 0 HA LEU A 61 29.102 23.875 -1.220 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.373 25.854 -2.260 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.990 24.726 -3.451 1.00 25.00 H new ATOM 0 HG LEU A 61 28.309 24.229 -3.639 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.213 26.466 -3.664 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.820 26.061 -2.041 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.722 27.198 -3.070 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.332 25.614 -5.661 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.849 26.374 -5.123 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.813 24.638 -5.514 1.00 25.00 H new ATOM 934 N VAL A 62 31.214 22.023 -2.979 1.00 25.00 N ATOM 935 CA VAL A 62 31.276 20.755 -3.716 1.00 25.00 C ATOM 936 C VAL A 62 31.061 19.562 -2.778 1.00 25.00 C ATOM 937 O VAL A 62 30.410 18.589 -3.143 1.00 25.00 O ATOM 938 CB VAL A 62 32.598 20.621 -4.547 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.844 20.539 -3.662 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.526 19.403 -5.470 1.00 25.00 C ATOM 0 H VAL A 62 32.104 22.510 -2.878 1.00 25.00 H new ATOM 0 HA VAL A 62 30.459 20.755 -4.438 1.00 25.00 H new ATOM 0 HB VAL A 62 32.689 21.527 -5.146 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.731 20.447 -4.289 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.920 21.442 -3.056 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.770 19.669 -3.009 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.451 19.324 -6.040 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.389 18.501 -4.873 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.686 19.515 -6.155 1.00 25.00 H new ATOM 950 N GLU A 63 31.531 19.661 -1.547 1.00 25.00 N ATOM 951 CA GLU A 63 31.301 18.607 -0.549 1.00 25.00 C ATOM 952 C GLU A 63 29.801 18.485 -0.292 1.00 25.00 C ATOM 953 O GLU A 63 29.237 17.391 -0.247 1.00 25.00 O ATOM 954 CB GLU A 63 32.005 18.959 0.762 1.00 25.00 C ATOM 955 CG GLU A 63 33.516 19.023 0.658 1.00 25.00 C ATOM 956 CD GLU A 63 34.198 17.671 0.604 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.594 16.660 0.999 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.404 17.649 0.252 1.00 25.00 O ATOM 0 H GLU A 63 32.074 20.454 -1.206 1.00 25.00 H new ATOM 0 HA GLU A 63 31.698 17.664 -0.926 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.635 19.922 1.113 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.735 18.220 1.516 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.783 19.587 -0.236 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.904 19.578 1.512 1.00 25.00 H new ATOM 965 N GLN A 64 29.145 19.627 -0.168 1.00 25.00 N ATOM 966 CA GLN A 64 27.714 19.668 0.056 1.00 25.00 C ATOM 967 C GLN A 64 26.958 19.179 -1.161 1.00 25.00 C ATOM 968 O GLN A 64 25.935 18.547 -1.008 1.00 25.00 O ATOM 969 CB GLN A 64 27.266 21.085 0.414 1.00 25.00 C ATOM 970 CG GLN A 64 27.611 21.470 1.846 1.00 25.00 C ATOM 971 CD GLN A 64 26.844 20.650 2.860 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.631 20.517 2.767 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.538 20.102 3.822 1.00 25.00 N ATOM 0 H GLN A 64 29.588 20.544 -0.220 1.00 25.00 H new ATOM 0 HA GLN A 64 27.489 19.004 0.891 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.734 21.793 -0.270 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.189 21.168 0.270 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.681 21.337 2.008 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.395 22.527 1.998 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.548 20.238 3.863 1.00 25.00 H new ATOM 0 HE22 GLN A 64 27.070 19.539 4.532 1.00 25.00 H new ATOM 982 N GLN A 65 27.460 19.421 -2.363 1.00 25.00 N ATOM 983 CA GLN A 65 26.803 18.898 -3.565 1.00 25.00 C ATOM 984 C GLN A 65 26.891 17.374 -3.593 1.00 25.00 C ATOM 985 O GLN A 65 25.923 16.706 -3.956 1.00 25.00 O ATOM 986 CB GLN A 65 27.417 19.474 -4.846 1.00 25.00 C ATOM 987 CG GLN A 65 26.984 20.908 -5.137 1.00 25.00 C ATOM 988 CD GLN A 65 27.470 21.392 -6.485 1.00 25.00 C ATOM 989 OE1 GLN A 65 27.118 20.836 -7.509 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.258 22.427 -6.489 1.00 25.00 N ATOM 0 H GLN A 65 28.305 19.966 -2.537 1.00 25.00 H new ATOM 0 HA GLN A 65 25.758 19.204 -3.525 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.504 19.440 -4.766 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.140 18.841 -5.689 1.00 25.00 H new ATOM 0 HG2 GLN A 65 25.896 20.971 -5.101 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.367 21.566 -4.357 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.530 22.864 -5.609 1.00 25.00 H new ATOM 0 HE22 GLN A 65 28.604 22.801 -7.373 1.00 25.00 H new ATOM 999 N GLN A 66 28.018 16.815 -3.175 1.00 25.00 N ATOM 1000 CA GLN A 66 28.175 15.359 -3.141 1.00 25.00 C ATOM 1001 C GLN A 66 27.214 14.731 -2.134 1.00 25.00 C ATOM 1002 O GLN A 66 26.648 13.666 -2.391 1.00 25.00 O ATOM 1003 CB GLN A 66 29.605 14.977 -2.758 1.00 25.00 C ATOM 1004 CG GLN A 66 30.640 15.299 -3.822 1.00 25.00 C ATOM 1005 CD GLN A 66 32.038 14.990 -3.347 1.00 25.00 C ATOM 1006 OE1 GLN A 66 32.438 13.839 -3.284 1.00 25.00 O ATOM 1007 NE2 GLN A 66 32.774 16.008 -2.984 1.00 25.00 N ATOM 0 H GLN A 66 28.834 17.338 -2.856 1.00 25.00 H new ATOM 0 HA GLN A 66 27.951 14.984 -4.140 1.00 25.00 H new ATOM 0 HB2 GLN A 66 29.873 15.495 -1.837 1.00 25.00 H new ATOM 0 HB3 GLN A 66 29.639 13.909 -2.545 1.00 25.00 H new ATOM 0 HG2 GLN A 66 30.426 14.725 -4.724 1.00 25.00 H new ATOM 0 HG3 GLN A 66 30.571 16.353 -4.091 1.00 25.00 H new ATOM 0 HE21 GLN A 66 32.403 16.956 -3.052 1.00 25.00 H new ATOM 0 HE22 GLN A 66 33.719 15.854 -2.633 1.00 25.00 H new ATOM 1016 N ASP A 67 27.022 15.378 -0.993 1.00 25.00 N ATOM 1017 CA ASP A 67 26.107 14.856 0.024 1.00 25.00 C ATOM 1018 C ASP A 67 24.655 15.101 -0.384 1.00 25.00 C ATOM 1019 O ASP A 67 23.783 14.249 -0.208 1.00 25.00 O ATOM 1020 CB ASP A 67 26.390 15.497 1.383 1.00 25.00 C ATOM 1021 CG ASP A 67 26.160 14.530 2.534 1.00 25.00 C ATOM 1022 OD1 ASP A 67 27.005 14.498 3.452 1.00 25.00 O ATOM 1023 OD2 ASP A 67 25.205 13.726 2.472 1.00 25.00 O ATOM 0 H ASP A 67 27.479 16.255 -0.746 1.00 25.00 H new ATOM 0 HA ASP A 67 26.268 13.781 0.108 1.00 25.00 H new ATOM 0 HB2 ASP A 67 27.421 15.851 1.408 1.00 25.00 H new ATOM 0 HB3 ASP A 67 25.750 16.370 1.511 1.00 25.00 H new ATOM 1028 N ARG A 68 24.406 16.243 -1.014 1.00 25.00 N ATOM 1029 CA ARG A 68 23.072 16.564 -1.520 1.00 25.00 C ATOM 1030 C ARG A 68 22.638 15.515 -2.510 1.00 25.00 C ATOM 1031 O ARG A 68 21.524 15.055 -2.446 1.00 25.00 O ATOM 1032 CB ARG A 68 23.048 17.925 -2.218 1.00 25.00 C ATOM 1033 CG ARG A 68 22.679 19.093 -1.326 1.00 25.00 C ATOM 1034 CD ARG A 68 22.803 20.396 -2.118 1.00 25.00 C ATOM 1035 NE ARG A 68 21.815 21.412 -1.704 1.00 25.00 N ATOM 1036 CZ ARG A 68 20.567 21.503 -2.169 1.00 25.00 C ATOM 1037 NH1 ARG A 68 20.078 20.661 -3.041 1.00 25.00 N ATOM 1038 NH2 ARG A 68 19.796 22.466 -1.742 1.00 25.00 N ATOM 0 H ARG A 68 25.108 16.963 -1.188 1.00 25.00 H new ATOM 0 HA ARG A 68 22.395 16.593 -0.666 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.031 18.113 -2.650 1.00 25.00 H new ATOM 0 HB3 ARG A 68 22.340 17.880 -3.045 1.00 25.00 H new ATOM 0 HG2 ARG A 68 21.660 18.975 -0.956 1.00 25.00 H new ATOM 0 HG3 ARG A 68 23.333 19.120 -0.455 1.00 25.00 H new ATOM 0 HD2 ARG A 68 23.808 20.799 -1.991 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.677 20.184 -3.180 1.00 25.00 H new ATOM 0 HE ARG A 68 22.109 22.098 -1.009 1.00 25.00 H new ATOM 0 HH11 ARG A 68 20.656 19.898 -3.392 1.00 25.00 H new ATOM 0 HH12 ARG A 68 19.118 20.767 -3.370 1.00 25.00 H new ATOM 0 HH21 ARG A 68 20.149 23.138 -1.061 1.00 25.00 H new ATOM 0 HH22 ARG A 68 18.840 22.546 -2.090 1.00 25.00 H new ATOM 1052 N ALA A 69 23.525 15.101 -3.401 1.00 25.00 N ATOM 1053 CA ALA A 69 23.167 14.137 -4.444 1.00 25.00 C ATOM 1054 C ALA A 69 22.535 12.867 -3.860 1.00 25.00 C ATOM 1055 O ALA A 69 21.684 12.245 -4.484 1.00 25.00 O ATOM 1056 CB ALA A 69 24.408 13.783 -5.268 1.00 25.00 C ATOM 0 H ALA A 69 24.496 15.413 -3.428 1.00 25.00 H new ATOM 0 HA ALA A 69 22.421 14.602 -5.088 1.00 25.00 H new ATOM 0 HB1 ALA A 69 24.138 13.066 -6.043 1.00 25.00 H new ATOM 0 HB2 ALA A 69 24.806 14.685 -5.732 1.00 25.00 H new ATOM 0 HB3 ALA A 69 25.165 13.346 -4.617 1.00 25.00 H new ATOM 1062 N ARG A 70 22.935 12.503 -2.651 1.00 25.00 N ATOM 1063 CA ARG A 70 22.386 11.328 -1.972 1.00 25.00 C ATOM 1064 C ARG A 70 20.938 11.574 -1.549 1.00 25.00 C ATOM 1065 O ARG A 70 20.067 10.755 -1.795 1.00 25.00 O ATOM 1066 CB ARG A 70 23.237 11.010 -0.734 1.00 25.00 C ATOM 1067 CG ARG A 70 24.728 10.948 -1.042 1.00 25.00 C ATOM 1068 CD ARG A 70 25.571 10.968 0.220 1.00 25.00 C ATOM 1069 NE ARG A 70 26.987 11.215 -0.109 1.00 25.00 N ATOM 1070 CZ ARG A 70 27.915 11.627 0.748 1.00 25.00 C ATOM 1071 NH1 ARG A 70 27.650 11.857 2.008 1.00 25.00 N ATOM 1072 NH2 ARG A 70 29.131 11.822 0.324 1.00 25.00 N ATOM 0 H ARG A 70 23.642 13.005 -2.113 1.00 25.00 H new ATOM 0 HA ARG A 70 22.406 10.485 -2.662 1.00 25.00 H new ATOM 0 HB2 ARG A 70 23.059 11.769 0.028 1.00 25.00 H new ATOM 0 HB3 ARG A 70 22.917 10.056 -0.314 1.00 25.00 H new ATOM 0 HG2 ARG A 70 24.944 10.042 -1.608 1.00 25.00 H new ATOM 0 HG3 ARG A 70 25.003 11.792 -1.675 1.00 25.00 H new ATOM 0 HD2 ARG A 70 25.208 11.743 0.895 1.00 25.00 H new ATOM 0 HD3 ARG A 70 25.474 10.017 0.745 1.00 25.00 H new ATOM 0 HE ARG A 70 27.278 11.057 -1.074 1.00 25.00 H new ATOM 0 HH11 ARG A 70 26.704 11.721 2.363 1.00 25.00 H new ATOM 0 HH12 ARG A 70 28.390 12.173 2.635 1.00 25.00 H new ATOM 0 HH21 ARG A 70 29.362 11.658 -0.656 1.00 25.00 H new ATOM 0 HH22 ARG A 70 29.852 12.138 0.972 1.00 25.00 H new ATOM 1086 N ARG A 71 20.697 12.701 -0.893 1.00 25.00 N ATOM 1087 CA ARG A 71 19.366 13.008 -0.355 1.00 25.00 C ATOM 1088 C ARG A 71 18.385 13.569 -1.373 1.00 25.00 C ATOM 1089 O ARG A 71 17.181 13.425 -1.216 1.00 25.00 O ATOM 1090 CB ARG A 71 19.497 13.979 0.820 1.00 25.00 C ATOM 1091 CG ARG A 71 19.669 15.435 0.438 1.00 25.00 C ATOM 1092 CD ARG A 71 20.043 16.276 1.624 1.00 25.00 C ATOM 1093 NE ARG A 71 19.965 17.703 1.289 1.00 25.00 N ATOM 1094 CZ ARG A 71 20.337 18.695 2.087 1.00 25.00 C ATOM 1095 NH1 ARG A 71 20.849 18.486 3.278 1.00 25.00 N ATOM 1096 NH2 ARG A 71 20.184 19.922 1.681 1.00 25.00 N ATOM 0 H ARG A 71 21.399 13.420 -0.718 1.00 25.00 H new ATOM 0 HA ARG A 71 18.949 12.054 -0.033 1.00 25.00 H new ATOM 0 HB2 ARG A 71 18.610 13.887 1.447 1.00 25.00 H new ATOM 0 HB3 ARG A 71 20.350 13.676 1.427 1.00 25.00 H new ATOM 0 HG2 ARG A 71 20.439 15.522 -0.328 1.00 25.00 H new ATOM 0 HG3 ARG A 71 18.743 15.810 0.003 1.00 25.00 H new ATOM 0 HD2 ARG A 71 19.377 16.055 2.458 1.00 25.00 H new ATOM 0 HD3 ARG A 71 21.053 16.028 1.949 1.00 25.00 H new ATOM 0 HE ARG A 71 19.596 17.951 0.371 1.00 25.00 H new ATOM 0 HH11 ARG A 71 20.973 17.533 3.620 1.00 25.00 H new ATOM 0 HH12 ARG A 71 21.123 19.277 3.861 1.00 25.00 H new ATOM 0 HH21 ARG A 71 19.783 20.109 0.762 1.00 25.00 H new ATOM 0 HH22 ARG A 71 20.465 20.697 2.282 1.00 25.00 H new ATOM 1110 N GLU A 72 18.892 14.230 -2.400 1.00 25.00 N ATOM 1111 CA GLU A 72 18.023 14.880 -3.398 1.00 25.00 C ATOM 1112 C GLU A 72 17.203 13.842 -4.141 1.00 25.00 C ATOM 1113 O GLU A 72 16.091 14.114 -4.565 1.00 25.00 O ATOM 1114 CB GLU A 72 18.805 15.725 -4.410 1.00 25.00 C ATOM 1115 CG GLU A 72 19.444 17.009 -3.855 1.00 25.00 C ATOM 1116 CD GLU A 72 18.582 17.766 -2.848 1.00 25.00 C ATOM 1117 OE1 GLU A 72 19.044 17.972 -1.691 1.00 25.00 O ATOM 1118 OE2 GLU A 72 17.492 18.228 -3.223 1.00 25.00 O ATOM 0 H GLU A 72 19.891 14.337 -2.574 1.00 25.00 H new ATOM 0 HA GLU A 72 17.368 15.552 -2.844 1.00 25.00 H new ATOM 0 HB2 GLU A 72 19.592 15.106 -4.841 1.00 25.00 H new ATOM 0 HB3 GLU A 72 18.133 15.998 -5.224 1.00 25.00 H new ATOM 0 HG2 GLU A 72 20.391 16.752 -3.381 1.00 25.00 H new ATOM 0 HG3 GLU A 72 19.674 17.673 -4.688 1.00 25.00 H new ATOM 1125 N GLN A 73 17.733 12.632 -4.237 1.00 25.00 N ATOM 1126 CA GLN A 73 17.008 11.508 -4.834 1.00 25.00 C ATOM 1127 C GLN A 73 15.649 11.305 -4.160 1.00 25.00 C ATOM 1128 O GLN A 73 14.672 10.982 -4.826 1.00 25.00 O ATOM 1129 CB GLN A 73 17.828 10.225 -4.700 1.00 25.00 C ATOM 1130 CG GLN A 73 19.096 10.230 -5.534 1.00 25.00 C ATOM 1131 CD GLN A 73 19.992 9.048 -5.241 1.00 25.00 C ATOM 1132 OE1 GLN A 73 19.603 7.905 -5.395 1.00 25.00 O ATOM 1133 NE2 GLN A 73 21.199 9.325 -4.837 1.00 25.00 N ATOM 0 H GLN A 73 18.669 12.397 -3.908 1.00 25.00 H new ATOM 0 HA GLN A 73 16.847 11.738 -5.887 1.00 25.00 H new ATOM 0 HB2 GLN A 73 18.092 10.079 -3.652 1.00 25.00 H new ATOM 0 HB3 GLN A 73 17.211 9.376 -4.995 1.00 25.00 H new ATOM 0 HG2 GLN A 73 18.831 10.226 -6.591 1.00 25.00 H new ATOM 0 HG3 GLN A 73 19.646 11.152 -5.347 1.00 25.00 H new ATOM 0 HE21 GLN A 73 21.487 10.296 -4.720 1.00 25.00 H new ATOM 0 HE22 GLN A 73 21.856 8.571 -4.638 1.00 25.00 H new ATOM 1142 N GLU A 74 15.589 11.520 -2.853 1.00 25.00 N ATOM 1143 CA GLU A 74 14.330 11.445 -2.109 1.00 25.00 C ATOM 1144 C GLU A 74 13.511 12.727 -2.274 1.00 25.00 C ATOM 1145 O GLU A 74 12.287 12.692 -2.306 1.00 25.00 O ATOM 1146 CB GLU A 74 14.610 11.242 -0.615 1.00 25.00 C ATOM 1147 CG GLU A 74 15.255 9.905 -0.272 1.00 25.00 C ATOM 1148 CD GLU A 74 14.282 8.744 -0.419 1.00 25.00 C ATOM 1149 OE1 GLU A 74 14.083 8.256 -1.555 1.00 25.00 O ATOM 1150 OE2 GLU A 74 13.695 8.337 0.606 1.00 25.00 O ATOM 0 H GLU A 74 16.401 11.749 -2.279 1.00 25.00 H new ATOM 0 HA GLU A 74 13.765 10.602 -2.508 1.00 25.00 H new ATOM 0 HB2 GLU A 74 15.260 12.045 -0.267 1.00 25.00 H new ATOM 0 HB3 GLU A 74 13.672 11.331 -0.067 1.00 25.00 H new ATOM 0 HG2 GLU A 74 16.115 9.741 -0.921 1.00 25.00 H new ATOM 0 HG3 GLU A 74 15.630 9.936 0.751 1.00 25.00 H new ATOM 1157 N ARG A 75 14.185 13.871 -2.334 1.00 25.00 N ATOM 1158 CA ARG A 75 13.482 15.166 -2.363 1.00 25.00 C ATOM 1159 C ARG A 75 12.703 15.385 -3.643 1.00 25.00 C ATOM 1160 O ARG A 75 11.633 15.955 -3.615 1.00 25.00 O ATOM 1161 CB ARG A 75 14.442 16.352 -2.159 1.00 25.00 C ATOM 1162 CG ARG A 75 15.314 16.315 -0.884 1.00 25.00 C ATOM 1163 CD ARG A 75 14.567 15.832 0.364 1.00 25.00 C ATOM 1164 NE ARG A 75 13.327 16.590 0.612 1.00 25.00 N ATOM 1165 CZ ARG A 75 12.349 16.209 1.430 1.00 25.00 C ATOM 1166 NH1 ARG A 75 12.406 15.097 2.121 1.00 25.00 N ATOM 1167 NH2 ARG A 75 11.298 16.963 1.550 1.00 25.00 N ATOM 0 H ARG A 75 15.202 13.937 -2.363 1.00 25.00 H new ATOM 0 HA ARG A 75 12.779 15.122 -1.531 1.00 25.00 H new ATOM 0 HB2 ARG A 75 15.103 16.410 -3.024 1.00 25.00 H new ATOM 0 HB3 ARG A 75 13.854 17.270 -2.145 1.00 25.00 H new ATOM 0 HG2 ARG A 75 16.169 15.662 -1.059 1.00 25.00 H new ATOM 0 HG3 ARG A 75 15.708 17.314 -0.696 1.00 25.00 H new ATOM 0 HD2 ARG A 75 14.326 14.775 0.252 1.00 25.00 H new ATOM 0 HD3 ARG A 75 15.222 15.920 1.231 1.00 25.00 H new ATOM 0 HE ARG A 75 13.210 17.475 0.118 1.00 25.00 H new ATOM 0 HH11 ARG A 75 13.221 14.489 2.042 1.00 25.00 H new ATOM 0 HH12 ARG A 75 11.635 14.840 2.738 1.00 25.00 H new ATOM 0 HH21 ARG A 75 11.231 17.833 1.021 1.00 25.00 H new ATOM 0 HH22 ARG A 75 10.539 16.685 2.173 1.00 25.00 H new ATOM 1181 N ILE A 76 13.217 14.894 -4.759 1.00 25.00 N ATOM 1182 CA ILE A 76 12.507 15.031 -6.037 1.00 25.00 C ATOM 1183 C ILE A 76 11.224 14.195 -6.067 1.00 25.00 C ATOM 1184 O ILE A 76 10.392 14.365 -6.951 1.00 25.00 O ATOM 1185 CB ILE A 76 13.421 14.680 -7.249 1.00 25.00 C ATOM 1186 CG1 ILE A 76 13.889 13.211 -7.182 1.00 25.00 C ATOM 1187 CG2 ILE A 76 14.624 15.653 -7.275 1.00 25.00 C ATOM 1188 CD1 ILE A 76 14.672 12.735 -8.418 1.00 25.00 C ATOM 0 H ILE A 76 14.109 14.403 -4.815 1.00 25.00 H new ATOM 0 HA ILE A 76 12.225 16.080 -6.125 1.00 25.00 H new ATOM 0 HB ILE A 76 12.854 14.792 -8.173 1.00 25.00 H new ATOM 0 HG12 ILE A 76 14.515 13.082 -6.299 1.00 25.00 H new ATOM 0 HG13 ILE A 76 13.017 12.570 -7.051 1.00 25.00 H new ATOM 0 HG21 ILE A 76 15.268 15.413 -8.121 1.00 25.00 H new ATOM 0 HG22 ILE A 76 14.262 16.676 -7.373 1.00 25.00 H new ATOM 0 HG23 ILE A 76 15.191 15.556 -6.349 1.00 25.00 H new ATOM 0 HD11 ILE A 76 14.962 11.693 -8.286 1.00 25.00 H new ATOM 0 HD12 ILE A 76 14.044 12.828 -9.304 1.00 25.00 H new ATOM 0 HD13 ILE A 76 15.566 13.347 -8.541 1.00 25.00 H new ATOM 1200 N ARG A 77 11.085 13.259 -5.134 1.00 25.00 N ATOM 1201 CA ARG A 77 9.889 12.404 -5.087 1.00 25.00 C ATOM 1202 C ARG A 77 8.710 13.045 -4.379 1.00 25.00 C ATOM 1203 O ARG A 77 7.569 12.686 -4.655 1.00 25.00 O ATOM 1204 CB ARG A 77 10.184 11.077 -4.371 1.00 25.00 C ATOM 1205 CG ARG A 77 11.403 10.335 -4.880 1.00 25.00 C ATOM 1206 CD ARG A 77 11.318 10.036 -6.366 1.00 25.00 C ATOM 1207 NE ARG A 77 12.551 9.388 -6.832 1.00 25.00 N ATOM 1208 CZ ARG A 77 12.962 9.346 -8.094 1.00 25.00 C ATOM 1209 NH1 ARG A 77 12.289 9.906 -9.073 1.00 25.00 N ATOM 1210 NH2 ARG A 77 14.077 8.736 -8.372 1.00 25.00 N ATOM 0 H ARG A 77 11.773 13.069 -4.405 1.00 25.00 H new ATOM 0 HA ARG A 77 9.624 12.242 -6.132 1.00 25.00 H new ATOM 0 HB2 ARG A 77 10.316 11.276 -3.307 1.00 25.00 H new ATOM 0 HB3 ARG A 77 9.314 10.427 -4.468 1.00 25.00 H new ATOM 0 HG2 ARG A 77 12.296 10.928 -4.682 1.00 25.00 H new ATOM 0 HG3 ARG A 77 11.513 9.401 -4.330 1.00 25.00 H new ATOM 0 HD2 ARG A 77 10.463 9.390 -6.564 1.00 25.00 H new ATOM 0 HD3 ARG A 77 11.154 10.960 -6.920 1.00 25.00 H new ATOM 0 HE ARG A 77 13.138 8.935 -6.131 1.00 25.00 H new ATOM 0 HH11 ARG A 77 11.416 10.396 -8.877 1.00 25.00 H new ATOM 0 HH12 ARG A 77 12.639 9.851 -10.029 1.00 25.00 H new ATOM 0 HH21 ARG A 77 14.620 8.300 -7.626 1.00 25.00 H new ATOM 0 HH22 ARG A 77 14.409 8.694 -9.336 1.00 25.00 H new ATOM 1224 N LEU A 78 8.974 13.910 -3.406 1.00 25.00 N ATOM 1225 CA LEU A 78 7.905 14.428 -2.548 1.00 25.00 C ATOM 1226 C LEU A 78 8.284 15.746 -1.870 1.00 25.00 C ATOM 1227 O LEU A 78 9.455 15.978 -1.570 1.00 25.00 O ATOM 1228 CB LEU A 78 7.570 13.368 -1.483 1.00 25.00 C ATOM 1229 CG LEU A 78 6.178 13.407 -0.830 1.00 25.00 C ATOM 1230 CD1 LEU A 78 5.047 13.320 -1.863 1.00 25.00 C ATOM 1231 CD2 LEU A 78 6.053 12.236 0.149 1.00 25.00 C ATOM 0 H LEU A 78 9.905 14.266 -3.190 1.00 25.00 H new ATOM 0 HA LEU A 78 7.038 14.634 -3.175 1.00 25.00 H new ATOM 0 HB2 LEU A 78 7.696 12.386 -1.940 1.00 25.00 H new ATOM 0 HB3 LEU A 78 8.312 13.448 -0.689 1.00 25.00 H new ATOM 0 HG LEU A 78 6.081 14.362 -0.313 1.00 25.00 H new ATOM 0 HD11 LEU A 78 4.085 13.351 -1.352 1.00 25.00 H new ATOM 0 HD12 LEU A 78 5.119 14.161 -2.553 1.00 25.00 H new ATOM 0 HD13 LEU A 78 5.133 12.386 -2.418 1.00 25.00 H new ATOM 0 HD21 LEU A 78 5.069 12.256 0.617 1.00 25.00 H new ATOM 0 HD22 LEU A 78 6.180 11.297 -0.389 1.00 25.00 H new ATOM 0 HD23 LEU A 78 6.821 12.321 0.917 1.00 25.00 H new ATOM 1243 N PHE A 79 7.259 16.556 -1.595 1.00 25.00 N ATOM 1244 CA PHE A 79 7.356 17.878 -1.002 1.00 25.00 C ATOM 1245 C PHE A 79 8.108 18.875 -1.901 1.00 25.00 C ATOM 1246 O PHE A 79 8.336 18.610 -3.073 1.00 25.00 O ATOM 1247 CB PHE A 79 7.996 17.798 0.371 1.00 25.00 C ATOM 1248 CG PHE A 79 7.420 16.733 1.265 1.00 25.00 C ATOM 1249 CD1 PHE A 79 8.133 15.540 1.503 1.00 25.00 C ATOM 1250 CD2 PHE A 79 6.176 16.921 1.893 1.00 25.00 C ATOM 1251 CE1 PHE A 79 7.613 14.545 2.364 1.00 25.00 C ATOM 1252 CE2 PHE A 79 5.640 15.929 2.751 1.00 25.00 C ATOM 1253 CZ PHE A 79 6.360 14.741 2.988 1.00 25.00 C ATOM 0 H PHE A 79 6.295 16.288 -1.792 1.00 25.00 H new ATOM 0 HA PHE A 79 6.340 18.258 -0.897 1.00 25.00 H new ATOM 0 HB2 PHE A 79 9.064 17.615 0.250 1.00 25.00 H new ATOM 0 HB3 PHE A 79 7.891 18.765 0.864 1.00 25.00 H new ATOM 0 HD1 PHE A 79 9.087 15.384 1.022 1.00 25.00 H new ATOM 0 HD2 PHE A 79 5.623 17.832 1.719 1.00 25.00 H new ATOM 0 HE1 PHE A 79 8.172 13.638 2.544 1.00 25.00 H new ATOM 0 HE2 PHE A 79 4.681 16.083 3.223 1.00 25.00 H new ATOM 0 HZ PHE A 79 5.956 13.984 3.644 1.00 25.00 H new ATOM 1263 N SER A 80 8.462 20.020 -1.336 1.00 25.00 N ATOM 1264 CA SER A 80 9.196 21.060 -2.027 1.00 25.00 C ATOM 1265 C SER A 80 10.113 21.615 -0.946 1.00 25.00 C ATOM 1266 O SER A 80 9.892 21.342 0.245 1.00 25.00 O ATOM 1267 CB SER A 80 8.244 22.130 -2.565 1.00 25.00 C ATOM 1268 OG SER A 80 7.488 22.715 -1.516 1.00 25.00 O ATOM 0 H SER A 80 8.242 20.253 -0.368 1.00 25.00 H new ATOM 0 HA SER A 80 9.745 20.700 -2.897 1.00 25.00 H new ATOM 0 HB2 SER A 80 8.814 22.902 -3.081 1.00 25.00 H new ATOM 0 HB3 SER A 80 7.571 21.687 -3.299 1.00 25.00 H new ATOM 0 HG SER A 80 6.889 23.397 -1.886 1.00 25.00 H new ATOM 1274 N ALA A 81 11.168 22.308 -1.342 1.00 25.00 N ATOM 1275 CA ALA A 81 12.174 22.825 -0.400 1.00 25.00 C ATOM 1276 C ALA A 81 12.948 23.968 -1.068 1.00 25.00 C ATOM 1277 O ALA A 81 14.180 24.060 -0.960 1.00 25.00 O ATOM 1278 CB ALA A 81 13.139 21.690 0.006 1.00 25.00 C ATOM 0 H ALA A 81 11.360 22.533 -2.318 1.00 25.00 H new ATOM 0 HA ALA A 81 11.682 23.201 0.497 1.00 25.00 H new ATOM 0 HB1 ALA A 81 13.882 22.076 0.703 1.00 25.00 H new ATOM 0 HB2 ALA A 81 12.577 20.887 0.483 1.00 25.00 H new ATOM 0 HB3 ALA A 81 13.640 21.304 -0.881 1.00 25.00 H new ATOM 1284 N ASP A 82 12.224 24.762 -1.829 1.00 25.00 N ATOM 1285 CA ASP A 82 12.812 25.727 -2.752 1.00 25.00 C ATOM 1286 C ASP A 82 12.627 27.169 -2.260 1.00 25.00 C ATOM 1287 O ASP A 82 11.659 27.474 -1.565 1.00 25.00 O ATOM 1288 CB ASP A 82 12.137 25.544 -4.117 1.00 25.00 C ATOM 1289 CG ASP A 82 11.050 24.469 -4.084 1.00 25.00 C ATOM 1290 OD1 ASP A 82 11.394 23.259 -4.172 1.00 25.00 O ATOM 1291 OD2 ASP A 82 9.896 24.808 -3.764 1.00 25.00 O ATOM 0 H ASP A 82 11.204 24.761 -1.829 1.00 25.00 H new ATOM 0 HA ASP A 82 13.885 25.550 -2.822 1.00 25.00 H new ATOM 0 HB2 ASP A 82 11.700 26.491 -4.434 1.00 25.00 H new ATOM 0 HB3 ASP A 82 12.889 25.276 -4.859 1.00 25.00 H new ATOM 1296 N PRO A 83 13.581 28.069 -2.584 1.00 25.00 N ATOM 1297 CA PRO A 83 13.436 29.466 -2.161 1.00 25.00 C ATOM 1298 C PRO A 83 12.479 30.242 -3.064 1.00 25.00 C ATOM 1299 O PRO A 83 12.190 29.824 -4.184 1.00 25.00 O ATOM 1300 CB PRO A 83 14.860 30.006 -2.302 1.00 25.00 C ATOM 1301 CG PRO A 83 15.394 29.278 -3.468 1.00 25.00 C ATOM 1302 CD PRO A 83 14.826 27.877 -3.355 1.00 25.00 C ATOM 0 HA PRO A 83 13.020 29.560 -1.158 1.00 25.00 H new ATOM 0 HB2 PRO A 83 14.866 31.084 -2.465 1.00 25.00 H new ATOM 0 HB3 PRO A 83 15.451 29.816 -1.406 1.00 25.00 H new ATOM 0 HG2 PRO A 83 15.090 29.752 -4.401 1.00 25.00 H new ATOM 0 HG3 PRO A 83 16.484 29.263 -3.458 1.00 25.00 H new ATOM 0 HD2 PRO A 83 14.628 27.444 -4.336 1.00 25.00 H new ATOM 0 HD3 PRO A 83 15.515 27.205 -2.843 1.00 25.00 H new ATOM 1310 N PHE A 84 12.032 31.396 -2.592 1.00 25.00 N ATOM 1311 CA PHE A 84 11.127 32.252 -3.363 1.00 25.00 C ATOM 1312 C PHE A 84 11.791 33.599 -3.604 1.00 25.00 C ATOM 1313 O PHE A 84 11.165 34.565 -4.024 1.00 25.00 O ATOM 1314 CB PHE A 84 9.795 32.421 -2.616 1.00 25.00 C ATOM 1315 CG PHE A 84 9.942 33.021 -1.243 1.00 25.00 C ATOM 1316 CD1 PHE A 84 10.153 32.196 -0.122 1.00 25.00 C ATOM 1317 CD2 PHE A 84 9.880 34.418 -1.059 1.00 25.00 C ATOM 1318 CE1 PHE A 84 10.314 32.755 1.172 1.00 25.00 C ATOM 1319 CE2 PHE A 84 10.037 34.988 0.230 1.00 25.00 C ATOM 1320 CZ PHE A 84 10.260 34.153 1.344 1.00 25.00 C ATOM 0 H PHE A 84 12.280 31.767 -1.675 1.00 25.00 H new ATOM 0 HA PHE A 84 10.916 31.788 -4.326 1.00 25.00 H new ATOM 0 HB2 PHE A 84 9.133 33.052 -3.210 1.00 25.00 H new ATOM 0 HB3 PHE A 84 9.312 31.448 -2.528 1.00 25.00 H new ATOM 0 HD1 PHE A 84 10.193 31.124 -0.249 1.00 25.00 H new ATOM 0 HD2 PHE A 84 9.711 35.061 -1.910 1.00 25.00 H new ATOM 0 HE1 PHE A 84 10.478 32.111 2.023 1.00 25.00 H new ATOM 0 HE2 PHE A 84 9.986 36.059 0.358 1.00 25.00 H new ATOM 0 HZ PHE A 84 10.389 34.583 2.326 1.00 25.00 H new ATOM 1330 N ASP A 85 13.089 33.641 -3.357 1.00 25.00 N ATOM 1331 CA ASP A 85 13.899 34.863 -3.483 1.00 25.00 C ATOM 1332 C ASP A 85 14.228 35.194 -4.941 1.00 25.00 C ATOM 1333 O ASP A 85 15.306 35.682 -5.264 1.00 25.00 O ATOM 1334 CB ASP A 85 15.215 34.721 -2.702 1.00 25.00 C ATOM 1335 CG ASP A 85 15.002 34.356 -1.239 1.00 25.00 C ATOM 1336 OD1 ASP A 85 14.590 33.202 -0.952 1.00 25.00 O ATOM 1337 OD2 ASP A 85 15.302 35.203 -0.377 1.00 25.00 O ATOM 0 H ASP A 85 13.625 32.826 -3.060 1.00 25.00 H new ATOM 0 HA ASP A 85 13.300 35.675 -3.071 1.00 25.00 H new ATOM 0 HB2 ASP A 85 15.831 33.957 -3.175 1.00 25.00 H new ATOM 0 HB3 ASP A 85 15.769 35.658 -2.760 1.00 25.00 H new ATOM 1342 N LEU A 86 13.284 34.919 -5.821 1.00 25.00 N ATOM 1343 CA LEU A 86 13.442 35.170 -7.248 1.00 25.00 C ATOM 1344 C LEU A 86 13.423 36.678 -7.479 1.00 25.00 C ATOM 1345 O LEU A 86 14.130 37.202 -8.332 1.00 25.00 O ATOM 1346 CB LEU A 86 12.297 34.495 -8.014 1.00 25.00 C ATOM 1347 CG LEU A 86 12.141 32.983 -7.767 1.00 25.00 C ATOM 1348 CD1 LEU A 86 10.837 32.500 -8.370 1.00 25.00 C ATOM 1349 CD2 LEU A 86 13.314 32.182 -8.347 1.00 25.00 C ATOM 0 H LEU A 86 12.382 34.514 -5.570 1.00 25.00 H new ATOM 0 HA LEU A 86 14.387 34.760 -7.606 1.00 25.00 H new ATOM 0 HB2 LEU A 86 11.363 34.988 -7.747 1.00 25.00 H new ATOM 0 HB3 LEU A 86 12.450 34.658 -9.081 1.00 25.00 H new ATOM 0 HG LEU A 86 12.135 32.821 -6.689 1.00 25.00 H new ATOM 0 HD11 LEU A 86 10.729 31.430 -8.194 1.00 25.00 H new ATOM 0 HD12 LEU A 86 10.004 33.030 -7.908 1.00 25.00 H new ATOM 0 HD13 LEU A 86 10.839 32.693 -9.443 1.00 25.00 H new ATOM 0 HD21 LEU A 86 13.163 31.121 -8.150 1.00 25.00 H new ATOM 0 HD22 LEU A 86 13.370 32.347 -9.423 1.00 25.00 H new ATOM 0 HD23 LEU A 86 14.244 32.509 -7.881 1.00 25.00 H new ATOM 1361 N GLU A 87 12.654 37.375 -6.653 1.00 25.00 N ATOM 1362 CA GLU A 87 12.580 38.837 -6.699 1.00 25.00 C ATOM 1363 C GLU A 87 13.874 39.477 -6.201 1.00 25.00 C ATOM 1364 O GLU A 87 14.149 40.640 -6.473 1.00 25.00 O ATOM 1365 CB GLU A 87 11.425 39.335 -5.823 1.00 25.00 C ATOM 1366 CG GLU A 87 10.048 39.017 -6.380 1.00 25.00 C ATOM 1367 CD GLU A 87 8.925 39.656 -5.560 1.00 25.00 C ATOM 1368 OE1 GLU A 87 8.640 39.169 -4.445 1.00 25.00 O ATOM 1369 OE2 GLU A 87 8.343 40.666 -6.026 1.00 25.00 O ATOM 0 H GLU A 87 12.066 36.951 -5.936 1.00 25.00 H new ATOM 0 HA GLU A 87 12.418 39.122 -7.739 1.00 25.00 H new ATOM 0 HB2 GLU A 87 11.516 38.891 -4.832 1.00 25.00 H new ATOM 0 HB3 GLU A 87 11.515 40.414 -5.699 1.00 25.00 H new ATOM 0 HG2 GLU A 87 9.986 39.367 -7.410 1.00 25.00 H new ATOM 0 HG3 GLU A 87 9.909 37.936 -6.402 1.00 25.00 H new ATOM 1376 N ALA A 88 14.665 38.711 -5.462 1.00 25.00 N ATOM 1377 CA ALA A 88 15.911 39.210 -4.886 1.00 25.00 C ATOM 1378 C ALA A 88 17.077 39.177 -5.884 1.00 25.00 C ATOM 1379 O ALA A 88 18.208 39.535 -5.547 1.00 25.00 O ATOM 1380 CB ALA A 88 16.265 38.414 -3.635 1.00 25.00 C ATOM 0 H ALA A 88 14.466 37.734 -5.245 1.00 25.00 H new ATOM 0 HA ALA A 88 15.747 40.255 -4.622 1.00 25.00 H new ATOM 0 HB1 ALA A 88 17.196 38.794 -3.213 1.00 25.00 H new ATOM 0 HB2 ALA A 88 15.466 38.516 -2.901 1.00 25.00 H new ATOM 0 HB3 ALA A 88 16.387 37.363 -3.895 1.00 25.00 H new ATOM 1386 N GLN A 89 16.815 38.716 -7.095 1.00 25.00 N ATOM 1387 CA GLN A 89 17.860 38.606 -8.107 1.00 25.00 C ATOM 1388 C GLN A 89 17.952 39.876 -8.952 1.00 25.00 C ATOM 1389 O GLN A 89 16.951 40.388 -9.439 1.00 25.00 O ATOM 1390 CB GLN A 89 17.608 37.393 -9.006 1.00 25.00 C ATOM 1391 CG GLN A 89 17.580 36.077 -8.235 1.00 25.00 C ATOM 1392 CD GLN A 89 17.857 34.885 -9.123 1.00 25.00 C ATOM 1393 OE1 GLN A 89 16.979 34.358 -9.784 1.00 25.00 O ATOM 1394 NE2 GLN A 89 19.095 34.463 -9.154 1.00 25.00 N ATOM 0 H GLN A 89 15.892 38.412 -7.404 1.00 25.00 H new ATOM 0 HA GLN A 89 18.810 38.474 -7.590 1.00 25.00 H new ATOM 0 HB2 GLN A 89 16.659 37.524 -9.526 1.00 25.00 H new ATOM 0 HB3 GLN A 89 18.385 37.345 -9.769 1.00 25.00 H new ATOM 0 HG2 GLN A 89 18.320 36.111 -7.435 1.00 25.00 H new ATOM 0 HG3 GLN A 89 16.605 35.956 -7.762 1.00 25.00 H new ATOM 0 HE21 GLN A 89 19.806 34.926 -8.588 1.00 25.00 H new ATOM 0 HE22 GLN A 89 19.349 33.671 -9.744 1.00 25.00 H new ATOM 1403 N ALA A 90 19.173 40.364 -9.139 1.00 25.00 N ATOM 1404 CA ALA A 90 19.422 41.567 -9.929 1.00 25.00 C ATOM 1405 C ALA A 90 20.616 41.316 -10.854 1.00 25.00 C ATOM 1406 O ALA A 90 21.365 40.358 -10.663 1.00 25.00 O ATOM 1407 CB ALA A 90 19.705 42.755 -8.992 1.00 25.00 C ATOM 0 H ALA A 90 20.015 39.940 -8.750 1.00 25.00 H new ATOM 0 HA ALA A 90 18.546 41.805 -10.532 1.00 25.00 H new ATOM 0 HB1 ALA A 90 19.890 43.650 -9.585 1.00 25.00 H new ATOM 0 HB2 ALA A 90 18.844 42.921 -8.344 1.00 25.00 H new ATOM 0 HB3 ALA A 90 20.581 42.536 -8.382 1.00 25.00 H new ATOM 1413 N LYS A 91 20.791 42.179 -11.847 1.00 25.00 N ATOM 1414 CA LYS A 91 21.926 42.071 -12.765 1.00 25.00 C ATOM 1415 C LYS A 91 23.148 42.706 -12.110 1.00 25.00 C ATOM 1416 O LYS A 91 23.009 43.555 -11.238 1.00 25.00 O ATOM 1417 CB LYS A 91 21.623 42.773 -14.098 1.00 25.00 C ATOM 1418 CG LYS A 91 21.568 44.307 -14.024 1.00 25.00 C ATOM 1419 CD LYS A 91 21.399 44.902 -15.404 1.00 25.00 C ATOM 1420 CE LYS A 91 21.730 46.395 -15.402 1.00 25.00 C ATOM 1421 NZ LYS A 91 21.845 46.924 -16.807 1.00 25.00 N ATOM 0 H LYS A 91 20.165 42.961 -12.040 1.00 25.00 H new ATOM 0 HA LYS A 91 22.116 41.019 -12.975 1.00 25.00 H new ATOM 0 HB2 LYS A 91 22.384 42.486 -14.824 1.00 25.00 H new ATOM 0 HB3 LYS A 91 20.668 42.408 -14.475 1.00 25.00 H new ATOM 0 HG2 LYS A 91 20.741 44.616 -13.385 1.00 25.00 H new ATOM 0 HG3 LYS A 91 22.482 44.687 -13.568 1.00 25.00 H new ATOM 0 HD2 LYS A 91 22.048 44.383 -16.109 1.00 25.00 H new ATOM 0 HD3 LYS A 91 20.374 44.754 -15.745 1.00 25.00 H new ATOM 0 HE2 LYS A 91 20.955 46.942 -14.866 1.00 25.00 H new ATOM 0 HE3 LYS A 91 22.666 46.563 -14.869 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 22.559 47.679 -16.836 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 22.129 46.154 -17.446 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 20.926 47.305 -17.111 1.00 25.00 H new ATOM 1435 N ILE A 92 24.333 42.341 -12.580 1.00 25.00 N ATOM 1436 CA ILE A 92 25.571 42.935 -12.077 1.00 25.00 C ATOM 1437 C ILE A 92 26.284 43.631 -13.235 1.00 25.00 C ATOM 1438 O ILE A 92 26.914 42.991 -14.078 1.00 25.00 O ATOM 1439 CB ILE A 92 26.519 41.875 -11.428 1.00 25.00 C ATOM 1440 CG1 ILE A 92 25.776 41.099 -10.317 1.00 25.00 C ATOM 1441 CG2 ILE A 92 27.789 42.569 -10.844 1.00 25.00 C ATOM 1442 CD1 ILE A 92 26.557 39.901 -9.737 1.00 25.00 C ATOM 0 H ILE A 92 24.467 41.638 -13.307 1.00 25.00 H new ATOM 0 HA ILE A 92 25.313 43.650 -11.296 1.00 25.00 H new ATOM 0 HB ILE A 92 26.830 41.169 -12.199 1.00 25.00 H new ATOM 0 HG12 ILE A 92 25.540 41.788 -9.506 1.00 25.00 H new ATOM 0 HG13 ILE A 92 24.828 40.739 -10.716 1.00 25.00 H new ATOM 0 HG21 ILE A 92 28.440 41.819 -10.395 1.00 25.00 H new ATOM 0 HG22 ILE A 92 28.324 43.082 -11.644 1.00 25.00 H new ATOM 0 HG23 ILE A 92 27.492 43.292 -10.085 1.00 25.00 H new ATOM 0 HD11 ILE A 92 25.959 39.417 -8.965 1.00 25.00 H new ATOM 0 HD12 ILE A 92 26.771 39.187 -10.532 1.00 25.00 H new ATOM 0 HD13 ILE A 92 27.494 40.252 -9.304 1.00 25.00 H new ATOM 1454 N GLU A 93 26.153 44.944 -13.276 1.00 25.00 N ATOM 1455 CA GLU A 93 26.812 45.792 -14.251 1.00 25.00 C ATOM 1456 C GLU A 93 27.273 47.006 -13.462 1.00 25.00 C ATOM 1457 O GLU A 93 26.576 47.430 -12.548 1.00 25.00 O ATOM 1458 CB GLU A 93 25.838 46.237 -15.337 1.00 25.00 C ATOM 1459 CG GLU A 93 25.406 45.120 -16.267 1.00 25.00 C ATOM 1460 CD GLU A 93 24.590 45.626 -17.454 1.00 25.00 C ATOM 1461 OE1 GLU A 93 23.649 44.918 -17.871 1.00 25.00 O ATOM 1462 OE2 GLU A 93 24.772 46.788 -17.870 1.00 25.00 O ATOM 0 H GLU A 93 25.572 45.462 -12.617 1.00 25.00 H new ATOM 0 HA GLU A 93 27.629 45.268 -14.747 1.00 25.00 H new ATOM 0 HB2 GLU A 93 24.954 46.667 -14.865 1.00 25.00 H new ATOM 0 HB3 GLU A 93 26.302 47.028 -15.926 1.00 25.00 H new ATOM 0 HG2 GLU A 93 26.289 44.597 -16.635 1.00 25.00 H new ATOM 0 HG3 GLU A 93 24.815 44.395 -15.708 1.00 25.00 H new ATOM 1469 N GLU A 94 28.432 47.546 -13.807 1.00 25.00 N ATOM 1470 CA GLU A 94 28.999 48.702 -13.111 1.00 25.00 C ATOM 1471 C GLU A 94 29.804 49.500 -14.127 1.00 25.00 C ATOM 1472 O GLU A 94 30.283 48.934 -15.125 1.00 25.00 O ATOM 1473 CB GLU A 94 29.948 48.247 -11.991 1.00 25.00 C ATOM 1474 CG GLU A 94 29.314 48.160 -10.597 1.00 25.00 C ATOM 1475 CD GLU A 94 29.037 49.532 -9.974 1.00 25.00 C ATOM 1476 OE1 GLU A 94 28.623 49.567 -8.795 1.00 25.00 O ATOM 1477 OE2 GLU A 94 29.261 50.569 -10.646 1.00 25.00 O ATOM 0 H GLU A 94 29.008 47.200 -14.574 1.00 25.00 H new ATOM 0 HA GLU A 94 28.197 49.296 -12.673 1.00 25.00 H new ATOM 0 HB2 GLU A 94 30.350 47.268 -12.252 1.00 25.00 H new ATOM 0 HB3 GLU A 94 30.791 48.937 -11.947 1.00 25.00 H new ATOM 0 HG2 GLU A 94 28.379 47.603 -10.664 1.00 25.00 H new ATOM 0 HG3 GLU A 94 29.975 47.596 -9.939 1.00 25.00 H new ATOM 1484 N ASP A 95 29.988 50.785 -13.873 1.00 25.00 N ATOM 1485 CA ASP A 95 30.832 51.624 -14.696 1.00 25.00 C ATOM 1486 C ASP A 95 31.816 52.340 -13.774 1.00 25.00 C ATOM 1487 O ASP A 95 32.452 51.701 -12.944 1.00 25.00 O ATOM 1488 CB ASP A 95 29.998 52.538 -15.625 1.00 25.00 C ATOM 1489 CG ASP A 95 29.290 53.666 -14.899 1.00 25.00 C ATOM 1490 OD1 ASP A 95 29.679 54.827 -15.164 1.00 25.00 O ATOM 1491 OD2 ASP A 95 28.385 53.424 -14.087 1.00 25.00 O ATOM 0 H ASP A 95 29.555 51.273 -13.089 1.00 25.00 H new ATOM 0 HA ASP A 95 31.419 51.034 -15.400 1.00 25.00 H new ATOM 0 HB2 ASP A 95 30.653 52.963 -16.385 1.00 25.00 H new ATOM 0 HB3 ASP A 95 29.257 51.932 -16.146 1.00 25.00 H new ATOM 1496 N ILE A 96 31.993 53.629 -13.989 1.00 25.00 N ATOM 1497 CA ILE A 96 32.943 54.483 -13.242 1.00 25.00 C ATOM 1498 C ILE A 96 34.300 53.768 -13.108 1.00 25.00 C ATOM 1499 O ILE A 96 34.947 53.764 -12.057 1.00 25.00 O ATOM 1500 CB ILE A 96 32.385 54.922 -11.832 1.00 25.00 C ATOM 1501 CG1 ILE A 96 30.858 55.176 -11.902 1.00 25.00 C ATOM 1502 CG2 ILE A 96 33.111 56.228 -11.352 1.00 25.00 C ATOM 1503 CD1 ILE A 96 30.211 55.548 -10.557 1.00 25.00 C ATOM 0 H ILE A 96 31.474 54.140 -14.703 1.00 25.00 H new ATOM 0 HA ILE A 96 33.080 55.401 -13.814 1.00 25.00 H new ATOM 0 HB ILE A 96 32.575 54.117 -11.123 1.00 25.00 H new ATOM 0 HG12 ILE A 96 30.668 55.977 -12.616 1.00 25.00 H new ATOM 0 HG13 ILE A 96 30.371 54.281 -12.290 1.00 25.00 H new ATOM 0 HG21 ILE A 96 32.721 56.525 -10.379 1.00 25.00 H new ATOM 0 HG22 ILE A 96 34.182 56.040 -11.272 1.00 25.00 H new ATOM 0 HG23 ILE A 96 32.936 57.027 -12.072 1.00 25.00 H new ATOM 0 HD11 ILE A 96 29.142 55.708 -10.699 1.00 25.00 H new ATOM 0 HD12 ILE A 96 30.365 54.739 -9.843 1.00 25.00 H new ATOM 0 HD13 ILE A 96 30.667 56.461 -10.174 1.00 25.00 H new ATOM 1515 N ARG A 97 34.711 53.137 -14.201 1.00 25.00 N ATOM 1516 CA ARG A 97 35.909 52.281 -14.248 1.00 25.00 C ATOM 1517 C ARG A 97 37.230 53.061 -14.295 1.00 25.00 C ATOM 1518 O ARG A 97 38.157 52.740 -15.029 1.00 25.00 O ATOM 1519 CB ARG A 97 35.776 51.314 -15.434 1.00 25.00 C ATOM 1520 CG ARG A 97 35.690 51.986 -16.822 1.00 25.00 C ATOM 1521 CD ARG A 97 34.841 51.154 -17.773 1.00 25.00 C ATOM 1522 NE ARG A 97 35.390 49.802 -17.974 1.00 25.00 N ATOM 1523 CZ ARG A 97 34.751 48.798 -18.567 1.00 25.00 C ATOM 1524 NH1 ARG A 97 33.536 48.924 -19.043 1.00 25.00 N ATOM 1525 NH2 ARG A 97 35.345 47.642 -18.678 1.00 25.00 N ATOM 0 H ARG A 97 34.222 53.200 -15.094 1.00 25.00 H new ATOM 0 HA ARG A 97 35.956 51.723 -13.313 1.00 25.00 H new ATOM 0 HB2 ARG A 97 36.630 50.637 -15.428 1.00 25.00 H new ATOM 0 HB3 ARG A 97 34.885 50.704 -15.287 1.00 25.00 H new ATOM 0 HG2 ARG A 97 35.261 52.983 -16.722 1.00 25.00 H new ATOM 0 HG3 ARG A 97 36.691 52.109 -17.234 1.00 25.00 H new ATOM 0 HD2 ARG A 97 33.827 51.077 -17.379 1.00 25.00 H new ATOM 0 HD3 ARG A 97 34.772 51.663 -18.735 1.00 25.00 H new ATOM 0 HE ARG A 97 36.334 49.622 -17.632 1.00 25.00 H new ATOM 0 HH11 ARG A 97 33.048 49.816 -18.965 1.00 25.00 H new ATOM 0 HH12 ARG A 97 33.079 48.130 -19.491 1.00 25.00 H new ATOM 0 HH21 ARG A 97 36.289 47.516 -18.312 1.00 25.00 H new ATOM 0 HH22 ARG A 97 34.866 46.864 -19.131 1.00 25.00 H new ATOM 1539 N GLN A 98 37.298 54.090 -13.460 1.00 25.00 N ATOM 1540 CA GLN A 98 38.464 54.954 -13.277 1.00 25.00 C ATOM 1541 C GLN A 98 39.429 54.403 -12.223 1.00 25.00 C ATOM 1542 O GLN A 98 40.634 54.497 -12.312 1.00 25.00 O ATOM 1543 CB GLN A 98 37.982 56.375 -12.923 1.00 25.00 C ATOM 1544 CG GLN A 98 39.140 57.392 -12.962 1.00 25.00 C ATOM 1545 CD GLN A 98 38.640 58.791 -12.707 1.00 25.00 C ATOM 1546 OE1 GLN A 98 37.479 59.079 -12.557 1.00 25.00 O ATOM 1547 NE2 GLN A 98 39.565 59.739 -12.667 1.00 25.00 N ATOM 1548 OXT GLN A 98 38.846 53.852 -11.190 1.00 25.00 O ATOM 0 H GLN A 98 36.513 54.359 -12.867 1.00 25.00 H new ATOM 0 HA GLN A 98 39.028 54.988 -14.209 1.00 25.00 H new ATOM 0 HB2 GLN A 98 37.204 56.681 -13.623 1.00 25.00 H new ATOM 0 HB3 GLN A 98 37.534 56.371 -11.930 1.00 25.00 H new ATOM 0 HG2 GLN A 98 39.887 57.127 -12.213 1.00 25.00 H new ATOM 0 HG3 GLN A 98 39.633 57.350 -13.933 1.00 25.00 H new ATOM 0 HE21 GLN A 98 40.548 59.498 -12.794 1.00 25.00 H new ATOM 0 HE22 GLN A 98 39.294 60.710 -12.510 1.00 25.00 H new TER 1558 GLN A 98