USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 64 LYS NZ :NH3+ 138:sc= 0.692 (180deg=-0.179) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.41 K(o=2.1,f=-6.8!) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=-2.5,f=-2.7) USER MOD Set 2.2: A 67 TYR OH : rot 141:sc= -1.81! USER MOD Set 2.3: A 87 MET CE :methyl 157:sc= -0.718 (180deg=-0.84) USER MOD Single : A 21 TYR OH : rot -130:sc= 1.39 USER MOD Single : A 22 GLN : amide:sc= 0.994 K(o=0.99,f=-0.37) USER MOD Single : A 23 GLN : amide:sc= 0.795 K(o=0.79,f=-0.33) USER MOD Single : A 30 GLN : amide:sc= -0.419 K(o=-0.42,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.035) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.66) USER MOD Single : A 40 HIS : no HE2:sc= 0.338 K(o=0.34,f=-5.3!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.543 USER MOD Single : A 44 ASN : amide:sc= -1.65! X(o=-1.6!,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 56 MET CE :methyl 150:sc= -0.743 (180deg=-2.98!) USER MOD Single : A 60 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 161:sc= 0.304 USER MOD Single : A 84 ASN : amide:sc= 0.346 K(o=0.35,f=-2.2!) USER MOD Single : A 85 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : A 89 SER OG : rot -84:sc= 0.433 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -3.902 -5.347 -1.287 1.00 30.00 N ATOM 52 CA HIS A 17 -3.973 -5.973 0.051 1.00 22.35 C ATOM 53 C HIS A 17 -2.986 -7.085 0.235 1.00 13.21 C ATOM 54 O HIS A 17 -2.650 -7.439 1.342 1.00 15.31 O ATOM 55 CB HIS A 17 -5.382 -6.404 0.431 1.00 43.22 C ATOM 56 CG HIS A 17 -6.321 -5.271 0.717 1.00 23.33 C ATOM 57 ND1 HIS A 17 -6.852 -5.017 1.960 1.00 41.40 N ATOM 58 CD2 HIS A 17 -6.846 -4.332 -0.111 1.00 53.31 C ATOM 59 CE1 HIS A 17 -7.666 -3.962 1.853 1.00 2.40 C ATOM 60 NE2 HIS A 17 -7.695 -3.507 0.611 1.00 2.11 N ATOM 0 HA HIS A 17 -3.686 -5.185 0.747 1.00 22.35 H new ATOM 0 HB2 HIS A 17 -5.795 -7.007 -0.378 1.00 43.22 H new ATOM 0 HB3 HIS A 17 -5.328 -7.046 1.311 1.00 43.22 H new ATOM 0 HD2 HIS A 17 -6.635 -4.242 -1.166 1.00 53.31 H new ATOM 0 HE1 HIS A 17 -8.226 -3.537 2.673 1.00 2.40 H new ATOM 0 HE2 HIS A 17 -8.231 -2.714 0.258 1.00 2.11 H new ATOM 68 N ALA A 18 -2.508 -7.629 -0.845 1.00 14.44 N ATOM 69 CA ALA A 18 -1.511 -8.661 -0.765 1.00 21.25 C ATOM 70 C ALA A 18 -0.209 -8.148 -0.141 1.00 2.42 C ATOM 71 O ALA A 18 0.588 -8.919 0.286 1.00 62.44 O ATOM 72 CB ALA A 18 -1.288 -9.329 -2.080 1.00 53.12 C ATOM 0 H ALA A 18 -2.791 -7.377 -1.792 1.00 14.44 H new ATOM 0 HA ALA A 18 -1.898 -9.428 -0.094 1.00 21.25 H new ATOM 0 HB1 ALA A 18 -0.527 -10.101 -1.971 1.00 53.12 H new ATOM 0 HB2 ALA A 18 -2.219 -9.782 -2.420 1.00 53.12 H new ATOM 0 HB3 ALA A 18 -0.955 -8.592 -2.811 1.00 53.12 H new ATOM 78 N ALA A 19 -0.013 -6.833 -0.088 1.00 51.42 N ATOM 79 CA ALA A 19 1.147 -6.265 0.614 1.00 21.30 C ATOM 80 C ALA A 19 1.105 -6.623 2.111 1.00 32.25 C ATOM 81 O ALA A 19 2.127 -6.685 2.766 1.00 45.14 O ATOM 82 CB ALA A 19 1.212 -4.757 0.420 1.00 65.34 C ATOM 0 H ALA A 19 -0.631 -6.143 -0.515 1.00 51.42 H new ATOM 0 HA ALA A 19 2.050 -6.699 0.185 1.00 21.30 H new ATOM 0 HB1 ALA A 19 2.078 -4.359 0.948 1.00 65.34 H new ATOM 0 HB2 ALA A 19 1.300 -4.530 -0.643 1.00 65.34 H new ATOM 0 HB3 ALA A 19 0.305 -4.300 0.815 1.00 65.34 H new ATOM 88 N ASP A 20 -0.090 -6.916 2.612 1.00 72.02 N ATOM 89 CA ASP A 20 -0.296 -7.337 4.008 1.00 72.10 C ATOM 90 C ASP A 20 0.230 -8.783 4.186 1.00 21.32 C ATOM 91 O ASP A 20 0.572 -9.221 5.284 1.00 75.01 O ATOM 92 CB ASP A 20 -1.800 -7.196 4.356 1.00 74.42 C ATOM 93 CG ASP A 20 -2.214 -7.613 5.763 1.00 31.52 C ATOM 94 OD1 ASP A 20 -1.592 -7.171 6.739 1.00 4.41 O ATOM 95 OD2 ASP A 20 -3.243 -8.335 5.885 1.00 53.53 O ATOM 0 H ASP A 20 -0.951 -6.871 2.066 1.00 72.02 H new ATOM 0 HA ASP A 20 0.261 -6.705 4.699 1.00 72.10 H new ATOM 0 HB2 ASP A 20 -2.088 -6.155 4.210 1.00 74.42 H new ATOM 0 HB3 ASP A 20 -2.372 -7.788 3.642 1.00 74.42 H new ATOM 100 N TYR A 21 0.391 -9.495 3.047 1.00 52.11 N ATOM 101 CA TYR A 21 0.967 -10.860 3.046 1.00 21.20 C ATOM 102 C TYR A 21 2.422 -10.804 3.467 1.00 43.02 C ATOM 103 O TYR A 21 2.987 -11.799 3.918 1.00 0.23 O ATOM 104 CB TYR A 21 0.830 -11.560 1.662 1.00 20.45 C ATOM 105 CG TYR A 21 2.144 -11.853 0.897 1.00 13.44 C ATOM 106 CD1 TYR A 21 2.785 -10.875 0.139 1.00 41.31 C ATOM 107 CD2 TYR A 21 2.704 -13.122 0.909 1.00 1.45 C ATOM 108 CE1 TYR A 21 3.928 -11.159 -0.575 1.00 55.25 C ATOM 109 CE2 TYR A 21 3.846 -13.412 0.209 1.00 61.40 C ATOM 110 CZ TYR A 21 4.453 -12.429 -0.538 1.00 64.12 C ATOM 111 OH TYR A 21 5.587 -12.716 -1.250 1.00 63.13 O ATOM 0 H TYR A 21 0.132 -9.150 2.123 1.00 52.11 H new ATOM 0 HA TYR A 21 0.401 -11.456 3.761 1.00 21.20 H new ATOM 0 HB2 TYR A 21 0.304 -12.503 1.809 1.00 20.45 H new ATOM 0 HB3 TYR A 21 0.198 -10.938 1.027 1.00 20.45 H new ATOM 0 HD1 TYR A 21 2.378 -9.875 0.111 1.00 41.31 H new ATOM 0 HD2 TYR A 21 2.228 -13.902 1.485 1.00 1.45 H new ATOM 0 HE1 TYR A 21 4.409 -10.389 -1.160 1.00 55.25 H new ATOM 0 HE2 TYR A 21 4.267 -14.406 0.244 1.00 61.40 H new ATOM 0 HH TYR A 21 5.445 -13.529 -1.778 1.00 63.13 H new ATOM 121 N GLN A 22 3.023 -9.639 3.299 1.00 54.41 N ATOM 122 CA GLN A 22 4.384 -9.416 3.697 1.00 74.03 C ATOM 123 C GLN A 22 4.483 -9.594 5.196 1.00 61.04 C ATOM 124 O GLN A 22 5.256 -10.409 5.664 1.00 71.24 O ATOM 125 CB GLN A 22 4.837 -8.025 3.255 1.00 1.05 C ATOM 126 CG GLN A 22 6.209 -7.599 3.736 1.00 1.45 C ATOM 127 CD GLN A 22 7.338 -8.513 3.298 1.00 3.44 C ATOM 128 OE1 GLN A 22 7.280 -9.151 2.248 1.00 25.43 O ATOM 129 NE2 GLN A 22 8.367 -8.583 4.096 1.00 42.32 N ATOM 0 H GLN A 22 2.572 -8.825 2.881 1.00 54.41 H new ATOM 0 HA GLN A 22 5.047 -10.136 3.217 1.00 74.03 H new ATOM 0 HB2 GLN A 22 4.826 -7.988 2.166 1.00 1.05 H new ATOM 0 HB3 GLN A 22 4.106 -7.296 3.606 1.00 1.05 H new ATOM 0 HG2 GLN A 22 6.412 -6.592 3.372 1.00 1.45 H new ATOM 0 HG3 GLN A 22 6.200 -7.549 4.825 1.00 1.45 H new ATOM 0 HE21 GLN A 22 8.381 -8.040 4.959 1.00 42.32 H new ATOM 0 HE22 GLN A 22 9.158 -9.181 3.857 1.00 42.32 H new ATOM 138 N GLN A 23 3.612 -8.908 5.925 1.00 34.00 N ATOM 139 CA GLN A 23 3.573 -9.008 7.393 1.00 24.22 C ATOM 140 C GLN A 23 3.234 -10.432 7.838 1.00 24.04 C ATOM 141 O GLN A 23 3.734 -10.925 8.866 1.00 32.03 O ATOM 142 CB GLN A 23 2.607 -7.985 8.011 1.00 3.50 C ATOM 143 CG GLN A 23 3.163 -6.557 8.142 1.00 43.51 C ATOM 144 CD GLN A 23 3.647 -5.940 6.836 1.00 0.02 C ATOM 145 OE1 GLN A 23 2.888 -5.304 6.116 1.00 72.10 O ATOM 146 NE2 GLN A 23 4.906 -6.114 6.532 1.00 33.04 N ATOM 0 H GLN A 23 2.918 -8.273 5.530 1.00 34.00 H new ATOM 0 HA GLN A 23 4.571 -8.769 7.762 1.00 24.22 H new ATOM 0 HB2 GLN A 23 1.702 -7.951 7.405 1.00 3.50 H new ATOM 0 HB3 GLN A 23 2.315 -8.336 9.001 1.00 3.50 H new ATOM 0 HG2 GLN A 23 2.388 -5.917 8.565 1.00 43.51 H new ATOM 0 HG3 GLN A 23 3.990 -6.567 8.852 1.00 43.51 H new ATOM 0 HE21 GLN A 23 5.512 -6.649 7.154 1.00 33.04 H new ATOM 0 HE22 GLN A 23 5.283 -5.714 5.673 1.00 33.04 H new ATOM 155 N LEU A 24 2.380 -11.090 7.058 1.00 64.15 N ATOM 156 CA LEU A 24 2.077 -12.507 7.244 1.00 52.43 C ATOM 157 C LEU A 24 3.351 -13.314 7.173 1.00 23.42 C ATOM 158 O LEU A 24 3.688 -14.049 8.101 1.00 74.24 O ATOM 159 CB LEU A 24 1.105 -12.986 6.158 1.00 34.41 C ATOM 160 CG LEU A 24 0.842 -14.491 6.104 1.00 23.50 C ATOM 161 CD1 LEU A 24 0.138 -14.978 7.340 1.00 11.15 C ATOM 162 CD2 LEU A 24 0.064 -14.864 4.881 1.00 3.14 C ATOM 0 H LEU A 24 1.880 -10.658 6.281 1.00 64.15 H new ATOM 0 HA LEU A 24 1.614 -12.643 8.221 1.00 52.43 H new ATOM 0 HB2 LEU A 24 0.152 -12.477 6.302 1.00 34.41 H new ATOM 0 HB3 LEU A 24 1.492 -12.671 5.189 1.00 34.41 H new ATOM 0 HG LEU A 24 1.814 -14.981 6.056 1.00 23.50 H new ATOM 0 HD11 LEU A 24 -0.031 -16.052 7.263 1.00 11.15 H new ATOM 0 HD12 LEU A 24 0.753 -14.769 8.215 1.00 11.15 H new ATOM 0 HD13 LEU A 24 -0.819 -14.466 7.439 1.00 11.15 H new ATOM 0 HD21 LEU A 24 -0.106 -15.941 4.872 1.00 3.14 H new ATOM 0 HD22 LEU A 24 -0.894 -14.345 4.887 1.00 3.14 H new ATOM 0 HD23 LEU A 24 0.626 -14.578 3.991 1.00 3.14 H new ATOM 174 N ARG A 25 4.070 -13.120 6.098 1.00 62.41 N ATOM 175 CA ARG A 25 5.262 -13.826 5.808 1.00 64.41 C ATOM 176 C ARG A 25 6.319 -13.573 6.876 1.00 10.33 C ATOM 177 O ARG A 25 6.940 -14.511 7.357 1.00 32.35 O ATOM 178 CB ARG A 25 5.725 -13.428 4.409 1.00 51.34 C ATOM 179 CG ARG A 25 6.810 -14.282 3.851 1.00 72.32 C ATOM 180 CD ARG A 25 6.898 -14.125 2.340 1.00 51.25 C ATOM 181 NE ARG A 25 7.814 -15.126 1.744 1.00 41.11 N ATOM 182 CZ ARG A 25 7.879 -15.428 0.434 1.00 11.43 C ATOM 183 NH1 ARG A 25 7.209 -14.716 -0.446 1.00 33.54 N ATOM 184 NH2 ARG A 25 8.648 -16.434 0.018 1.00 62.41 N ATOM 0 H ARG A 25 3.820 -12.437 5.382 1.00 62.41 H new ATOM 0 HA ARG A 25 5.082 -14.901 5.820 1.00 64.41 H new ATOM 0 HB2 ARG A 25 4.870 -13.462 3.734 1.00 51.34 H new ATOM 0 HB3 ARG A 25 6.070 -12.394 4.435 1.00 51.34 H new ATOM 0 HG2 ARG A 25 7.763 -14.010 4.305 1.00 72.32 H new ATOM 0 HG3 ARG A 25 6.623 -15.326 4.102 1.00 72.32 H new ATOM 0 HD2 ARG A 25 5.905 -14.233 1.903 1.00 51.25 H new ATOM 0 HD3 ARG A 25 7.246 -13.121 2.097 1.00 51.25 H new ATOM 0 HE ARG A 25 8.443 -15.624 2.374 1.00 41.11 H new ATOM 0 HH11 ARG A 25 6.637 -13.930 -0.137 1.00 33.54 H new ATOM 0 HH12 ARG A 25 7.262 -14.949 -1.438 1.00 33.54 H new ATOM 0 HH21 ARG A 25 9.188 -16.976 0.693 1.00 62.41 H new ATOM 0 HH22 ARG A 25 8.696 -16.662 -0.975 1.00 62.41 H new ATOM 198 N GLU A 26 6.458 -12.323 7.278 1.00 72.10 N ATOM 199 CA GLU A 26 7.409 -11.919 8.309 1.00 43.31 C ATOM 200 C GLU A 26 7.126 -12.621 9.639 1.00 15.01 C ATOM 201 O GLU A 26 8.048 -13.136 10.286 1.00 2.10 O ATOM 202 CB GLU A 26 7.388 -10.399 8.478 1.00 54.14 C ATOM 203 CG GLU A 26 7.760 -9.669 7.203 1.00 70.45 C ATOM 204 CD GLU A 26 7.564 -8.171 7.266 1.00 52.33 C ATOM 205 OE1 GLU A 26 6.579 -7.714 7.886 1.00 52.24 O ATOM 206 OE2 GLU A 26 8.348 -7.449 6.614 1.00 50.35 O ATOM 0 H GLU A 26 5.912 -11.550 6.898 1.00 72.10 H new ATOM 0 HA GLU A 26 8.406 -12.222 7.989 1.00 43.31 H new ATOM 0 HB2 GLU A 26 6.394 -10.086 8.796 1.00 54.14 H new ATOM 0 HB3 GLU A 26 8.080 -10.115 9.271 1.00 54.14 H new ATOM 0 HG2 GLU A 26 8.804 -9.878 6.970 1.00 70.45 H new ATOM 0 HG3 GLU A 26 7.164 -10.068 6.382 1.00 70.45 H new ATOM 213 N ARG A 27 5.853 -12.694 10.039 1.00 74.12 N ATOM 214 CA ARG A 27 5.545 -13.341 11.283 1.00 3.42 C ATOM 215 C ARG A 27 5.677 -14.852 11.172 1.00 4.53 C ATOM 216 O ARG A 27 6.042 -15.508 12.135 1.00 51.02 O ATOM 217 CB ARG A 27 4.182 -12.988 11.829 1.00 34.05 C ATOM 218 CG ARG A 27 4.163 -13.299 13.306 1.00 71.42 C ATOM 219 CD ARG A 27 2.893 -12.945 14.010 1.00 42.54 C ATOM 220 NE ARG A 27 1.888 -14.001 13.887 1.00 54.03 N ATOM 221 CZ ARG A 27 1.935 -15.180 14.557 1.00 3.23 C ATOM 222 NH1 ARG A 27 2.857 -15.396 15.487 1.00 42.05 N ATOM 223 NH2 ARG A 27 1.048 -16.135 14.314 1.00 53.03 N ATOM 0 H ARG A 27 5.053 -12.321 9.527 1.00 74.12 H new ATOM 0 HA ARG A 27 6.282 -12.962 11.991 1.00 3.42 H new ATOM 0 HB2 ARG A 27 3.968 -11.932 11.661 1.00 34.05 H new ATOM 0 HB3 ARG A 27 3.408 -13.556 11.312 1.00 34.05 H new ATOM 0 HG2 ARG A 27 4.350 -14.364 13.440 1.00 71.42 H new ATOM 0 HG3 ARG A 27 4.986 -12.768 13.784 1.00 71.42 H new ATOM 0 HD2 ARG A 27 3.101 -12.763 15.064 1.00 42.54 H new ATOM 0 HD3 ARG A 27 2.496 -12.017 13.599 1.00 42.54 H new ATOM 0 HE ARG A 27 1.102 -13.841 13.257 1.00 54.03 H new ATOM 0 HH11 ARG A 27 3.541 -14.671 15.705 1.00 42.05 H new ATOM 0 HH12 ARG A 27 2.882 -16.287 15.984 1.00 42.05 H new ATOM 0 HH21 ARG A 27 0.319 -15.988 13.616 1.00 53.03 H new ATOM 0 HH22 ARG A 27 1.095 -17.017 14.825 1.00 53.03 H new ATOM 237 N LEU A 28 5.407 -15.391 9.993 1.00 24.24 N ATOM 238 CA LEU A 28 5.514 -16.832 9.762 1.00 11.14 C ATOM 239 C LEU A 28 6.954 -17.253 9.899 1.00 1.25 C ATOM 240 O LEU A 28 7.255 -18.239 10.542 1.00 51.34 O ATOM 241 CB LEU A 28 4.987 -17.217 8.372 1.00 73.43 C ATOM 242 CG LEU A 28 3.478 -17.121 8.153 1.00 21.13 C ATOM 243 CD1 LEU A 28 3.152 -17.242 6.698 1.00 74.02 C ATOM 244 CD2 LEU A 28 2.763 -18.214 8.885 1.00 63.22 C ATOM 0 H LEU A 28 5.111 -14.855 9.177 1.00 24.24 H new ATOM 0 HA LEU A 28 4.904 -17.346 10.504 1.00 11.14 H new ATOM 0 HB2 LEU A 28 5.478 -16.581 7.635 1.00 73.43 H new ATOM 0 HB3 LEU A 28 5.295 -18.242 8.164 1.00 73.43 H new ATOM 0 HG LEU A 28 3.154 -16.151 8.531 1.00 21.13 H new ATOM 0 HD11 LEU A 28 2.073 -17.172 6.560 1.00 74.02 H new ATOM 0 HD12 LEU A 28 3.642 -16.439 6.147 1.00 74.02 H new ATOM 0 HD13 LEU A 28 3.503 -18.204 6.325 1.00 74.02 H new ATOM 0 HD21 LEU A 28 1.690 -18.125 8.714 1.00 63.22 H new ATOM 0 HD22 LEU A 28 3.109 -19.182 8.522 1.00 63.22 H new ATOM 0 HD23 LEU A 28 2.968 -18.132 9.952 1.00 63.22 H new ATOM 256 N ILE A 29 7.827 -16.466 9.310 1.00 14.34 N ATOM 257 CA ILE A 29 9.266 -16.663 9.387 1.00 43.52 C ATOM 258 C ILE A 29 9.701 -16.812 10.849 1.00 61.02 C ATOM 259 O ILE A 29 10.294 -17.820 11.232 1.00 32.32 O ATOM 260 CB ILE A 29 9.986 -15.458 8.705 1.00 55.42 C ATOM 261 CG1 ILE A 29 9.805 -15.514 7.179 1.00 55.23 C ATOM 262 CG2 ILE A 29 11.447 -15.373 9.082 1.00 51.15 C ATOM 263 CD1 ILE A 29 10.328 -14.297 6.444 1.00 11.14 C ATOM 0 H ILE A 29 7.557 -15.655 8.753 1.00 14.34 H new ATOM 0 HA ILE A 29 9.542 -17.578 8.863 1.00 43.52 H new ATOM 0 HB ILE A 29 9.516 -14.547 9.076 1.00 55.42 H new ATOM 0 HG12 ILE A 29 10.312 -16.400 6.797 1.00 55.23 H new ATOM 0 HG13 ILE A 29 8.745 -15.632 6.955 1.00 55.23 H new ATOM 0 HG21 ILE A 29 11.903 -14.518 8.582 1.00 51.15 H new ATOM 0 HG22 ILE A 29 11.538 -15.252 10.161 1.00 51.15 H new ATOM 0 HG23 ILE A 29 11.956 -16.287 8.775 1.00 51.15 H new ATOM 0 HD11 ILE A 29 10.161 -14.419 5.374 1.00 11.14 H new ATOM 0 HD12 ILE A 29 9.804 -13.407 6.794 1.00 11.14 H new ATOM 0 HD13 ILE A 29 11.396 -14.188 6.634 1.00 11.14 H new ATOM 275 N GLN A 30 9.301 -15.865 11.659 1.00 70.35 N ATOM 276 CA GLN A 30 9.672 -15.852 13.051 1.00 44.14 C ATOM 277 C GLN A 30 8.938 -16.917 13.879 1.00 43.41 C ATOM 278 O GLN A 30 9.492 -17.452 14.826 1.00 22.03 O ATOM 279 CB GLN A 30 9.445 -14.471 13.640 1.00 31.34 C ATOM 280 CG GLN A 30 10.288 -13.382 12.996 1.00 42.14 C ATOM 281 CD GLN A 30 11.778 -13.663 13.076 1.00 21.21 C ATOM 282 OE1 GLN A 30 12.355 -14.267 12.195 1.00 70.54 O ATOM 283 NE2 GLN A 30 12.404 -13.230 14.138 1.00 32.20 N ATOM 0 H GLN A 30 8.711 -15.084 11.373 1.00 70.35 H new ATOM 0 HA GLN A 30 10.732 -16.100 13.098 1.00 44.14 H new ATOM 0 HB2 GLN A 30 8.392 -14.211 13.536 1.00 31.34 H new ATOM 0 HB3 GLN A 30 9.662 -14.502 14.708 1.00 31.34 H new ATOM 0 HG2 GLN A 30 9.999 -13.276 11.950 1.00 42.14 H new ATOM 0 HG3 GLN A 30 10.076 -12.430 13.483 1.00 42.14 H new ATOM 0 HE21 GLN A 30 11.892 -12.725 14.862 1.00 32.20 H new ATOM 0 HE22 GLN A 30 13.405 -13.397 14.243 1.00 32.20 H new ATOM 292 N GLU A 31 7.702 -17.233 13.517 1.00 34.20 N ATOM 293 CA GLU A 31 6.921 -18.189 14.296 1.00 13.34 C ATOM 294 C GLU A 31 7.324 -19.630 13.978 1.00 70.21 C ATOM 295 O GLU A 31 7.329 -20.487 14.858 1.00 21.53 O ATOM 296 CB GLU A 31 5.411 -18.010 14.083 1.00 40.03 C ATOM 297 CG GLU A 31 4.577 -18.798 15.096 1.00 52.42 C ATOM 298 CD GLU A 31 3.096 -18.661 14.902 1.00 1.25 C ATOM 299 OE1 GLU A 31 2.579 -19.206 13.930 1.00 62.20 O ATOM 300 OE2 GLU A 31 2.432 -17.998 15.731 1.00 2.23 O ATOM 0 H GLU A 31 7.223 -16.849 12.702 1.00 34.20 H new ATOM 0 HA GLU A 31 7.141 -17.986 15.344 1.00 13.34 H new ATOM 0 HB2 GLU A 31 5.160 -16.952 14.156 1.00 40.03 H new ATOM 0 HB3 GLU A 31 5.149 -18.331 13.075 1.00 40.03 H new ATOM 0 HG2 GLU A 31 4.846 -19.852 15.031 1.00 52.42 H new ATOM 0 HG3 GLU A 31 4.834 -18.464 16.101 1.00 52.42 H new ATOM 307 N LEU A 32 7.636 -19.897 12.725 1.00 51.33 N ATOM 308 CA LEU A 32 8.053 -21.230 12.294 1.00 35.42 C ATOM 309 C LEU A 32 9.532 -21.469 12.579 1.00 41.24 C ATOM 310 O LEU A 32 10.025 -22.577 12.383 1.00 51.54 O ATOM 311 CB LEU A 32 7.788 -21.453 10.790 1.00 71.21 C ATOM 312 CG LEU A 32 6.345 -21.771 10.313 1.00 10.53 C ATOM 313 CD1 LEU A 32 5.343 -20.666 10.615 1.00 63.42 C ATOM 314 CD2 LEU A 32 6.368 -22.071 8.834 1.00 51.41 C ATOM 0 H LEU A 32 7.610 -19.205 11.976 1.00 51.33 H new ATOM 0 HA LEU A 32 7.457 -21.940 12.867 1.00 35.42 H new ATOM 0 HB2 LEU A 32 8.118 -20.558 10.263 1.00 71.21 H new ATOM 0 HB3 LEU A 32 8.430 -22.271 10.462 1.00 71.21 H new ATOM 0 HG LEU A 32 6.005 -22.640 10.876 1.00 10.53 H new ATOM 0 HD11 LEU A 32 4.358 -20.959 10.253 1.00 63.42 H new ATOM 0 HD12 LEU A 32 5.299 -20.499 11.691 1.00 63.42 H new ATOM 0 HD13 LEU A 32 5.654 -19.747 10.118 1.00 63.42 H new ATOM 0 HD21 LEU A 32 5.357 -22.295 8.492 1.00 51.41 H new ATOM 0 HD22 LEU A 32 6.750 -21.205 8.293 1.00 51.41 H new ATOM 0 HD23 LEU A 32 7.013 -22.929 8.647 1.00 51.41 H new ATOM 326 N ASN A 33 10.227 -20.414 13.043 1.00 3.10 N ATOM 327 CA ASN A 33 11.683 -20.451 13.329 1.00 12.45 C ATOM 328 C ASN A 33 12.417 -20.706 12.001 1.00 35.23 C ATOM 329 O ASN A 33 13.415 -21.433 11.909 1.00 40.51 O ATOM 330 CB ASN A 33 12.012 -21.541 14.396 1.00 1.34 C ATOM 331 CG ASN A 33 13.423 -21.438 14.997 1.00 15.40 C ATOM 332 OD1 ASN A 33 13.632 -20.781 16.008 1.00 43.43 O ATOM 333 ND2 ASN A 33 14.385 -22.083 14.390 1.00 73.11 N ATOM 0 H ASN A 33 9.799 -19.508 13.232 1.00 3.10 H new ATOM 0 HA ASN A 33 12.014 -19.502 13.750 1.00 12.45 H new ATOM 0 HB2 ASN A 33 11.281 -21.475 15.202 1.00 1.34 H new ATOM 0 HB3 ASN A 33 11.896 -22.524 13.941 1.00 1.34 H new ATOM 0 HD21 ASN A 33 15.336 -22.045 14.758 1.00 73.11 H new ATOM 0 HD22 ASN A 33 14.185 -22.624 13.549 1.00 73.11 H new ATOM 340 N LEU A 34 11.916 -20.072 10.979 1.00 1.24 N ATOM 341 CA LEU A 34 12.434 -20.209 9.657 1.00 61.04 C ATOM 342 C LEU A 34 13.043 -18.915 9.183 1.00 71.24 C ATOM 343 O LEU A 34 13.135 -17.957 9.921 1.00 23.45 O ATOM 344 CB LEU A 34 11.349 -20.702 8.677 1.00 40.24 C ATOM 345 CG LEU A 34 10.998 -22.187 8.741 1.00 62.15 C ATOM 346 CD1 LEU A 34 9.997 -22.523 7.660 1.00 24.43 C ATOM 347 CD2 LEU A 34 12.245 -23.052 8.595 1.00 31.10 C ATOM 0 H LEU A 34 11.122 -19.435 11.048 1.00 1.24 H new ATOM 0 HA LEU A 34 13.220 -20.963 9.684 1.00 61.04 H new ATOM 0 HB2 LEU A 34 10.440 -20.128 8.858 1.00 40.24 H new ATOM 0 HB3 LEU A 34 11.675 -20.472 7.663 1.00 40.24 H new ATOM 0 HG LEU A 34 10.558 -22.396 9.716 1.00 62.15 H new ATOM 0 HD11 LEU A 34 9.750 -23.583 7.710 1.00 24.43 H new ATOM 0 HD12 LEU A 34 9.092 -21.932 7.805 1.00 24.43 H new ATOM 0 HD13 LEU A 34 10.426 -22.296 6.684 1.00 24.43 H new ATOM 0 HD21 LEU A 34 11.966 -24.104 8.644 1.00 31.10 H new ATOM 0 HD22 LEU A 34 12.720 -22.847 7.635 1.00 31.10 H new ATOM 0 HD23 LEU A 34 12.943 -22.824 9.401 1.00 31.10 H new ATOM 359 N THR A 35 13.488 -18.909 7.965 1.00 72.01 N ATOM 360 CA THR A 35 14.069 -17.748 7.372 1.00 31.01 C ATOM 361 C THR A 35 13.339 -17.481 6.056 1.00 74.55 C ATOM 362 O THR A 35 12.682 -18.397 5.530 1.00 52.12 O ATOM 363 CB THR A 35 15.589 -17.968 7.130 1.00 51.41 C ATOM 364 OG1 THR A 35 15.789 -19.177 6.397 1.00 3.11 O ATOM 365 CG2 THR A 35 16.350 -18.050 8.446 1.00 23.40 C ATOM 0 H THR A 35 13.457 -19.721 7.348 1.00 72.01 H new ATOM 0 HA THR A 35 13.967 -16.888 8.034 1.00 31.01 H new ATOM 0 HB THR A 35 15.967 -17.118 6.562 1.00 51.41 H new ATOM 0 HG1 THR A 35 16.748 -19.312 6.244 1.00 3.11 H new ATOM 0 HG21 THR A 35 17.410 -18.204 8.244 1.00 23.40 H new ATOM 0 HG22 THR A 35 16.218 -17.122 9.001 1.00 23.40 H new ATOM 0 HG23 THR A 35 15.968 -18.883 9.036 1.00 23.40 H new ATOM 373 N PRO A 36 13.424 -16.251 5.495 1.00 52.40 N ATOM 374 CA PRO A 36 12.734 -15.890 4.236 1.00 45.34 C ATOM 375 C PRO A 36 13.084 -16.802 3.046 1.00 51.10 C ATOM 376 O PRO A 36 12.317 -16.909 2.099 1.00 1.35 O ATOM 377 CB PRO A 36 13.207 -14.448 3.957 1.00 32.13 C ATOM 378 CG PRO A 36 14.384 -14.236 4.851 1.00 13.43 C ATOM 379 CD PRO A 36 14.144 -15.089 6.057 1.00 71.42 C ATOM 0 HA PRO A 36 11.655 -15.996 4.347 1.00 45.34 H new ATOM 0 HB2 PRO A 36 13.481 -14.320 2.910 1.00 32.13 H new ATOM 0 HB3 PRO A 36 12.417 -13.727 4.170 1.00 32.13 H new ATOM 0 HG2 PRO A 36 15.310 -14.519 4.351 1.00 13.43 H new ATOM 0 HG3 PRO A 36 14.480 -13.186 5.128 1.00 13.43 H new ATOM 0 HD2 PRO A 36 15.077 -15.384 6.536 1.00 71.42 H new ATOM 0 HD3 PRO A 36 13.550 -14.569 6.809 1.00 71.42 H new ATOM 387 N GLN A 37 14.232 -17.458 3.120 1.00 44.24 N ATOM 388 CA GLN A 37 14.690 -18.334 2.051 1.00 73.21 C ATOM 389 C GLN A 37 14.117 -19.742 2.224 1.00 0.44 C ATOM 390 O GLN A 37 13.961 -20.475 1.261 1.00 63.42 O ATOM 391 CB GLN A 37 16.218 -18.386 2.032 1.00 44.25 C ATOM 392 CG GLN A 37 16.801 -19.170 0.866 1.00 44.32 C ATOM 393 CD GLN A 37 18.303 -19.310 0.946 1.00 62.45 C ATOM 394 OE1 GLN A 37 18.991 -18.464 1.488 1.00 22.32 O ATOM 395 NE2 GLN A 37 18.816 -20.382 0.404 1.00 1.25 N ATOM 0 H GLN A 37 14.868 -17.400 3.915 1.00 44.24 H new ATOM 0 HA GLN A 37 14.337 -17.933 1.101 1.00 73.21 H new ATOM 0 HB2 GLN A 37 16.605 -17.367 2.000 1.00 44.25 H new ATOM 0 HB3 GLN A 37 16.567 -18.830 2.964 1.00 44.25 H new ATOM 0 HG2 GLN A 37 16.349 -20.162 0.839 1.00 44.32 H new ATOM 0 HG3 GLN A 37 16.536 -18.674 -0.068 1.00 44.32 H new ATOM 0 HE21 GLN A 37 18.208 -21.069 -0.041 1.00 1.25 H new ATOM 0 HE22 GLN A 37 19.825 -20.532 0.426 1.00 1.25 H new ATOM 404 N GLN A 38 13.791 -20.099 3.455 1.00 3.41 N ATOM 405 CA GLN A 38 13.244 -21.420 3.724 1.00 4.21 C ATOM 406 C GLN A 38 11.771 -21.371 3.468 1.00 2.22 C ATOM 407 O GLN A 38 11.163 -22.315 2.983 1.00 1.52 O ATOM 408 CB GLN A 38 13.519 -21.857 5.167 1.00 51.13 C ATOM 409 CG GLN A 38 14.995 -22.035 5.493 1.00 64.44 C ATOM 410 CD GLN A 38 15.660 -23.123 4.672 1.00 22.14 C ATOM 411 OE1 GLN A 38 15.040 -24.093 4.291 1.00 71.54 O ATOM 412 NE2 GLN A 38 16.926 -22.959 4.391 1.00 20.52 N ATOM 0 H GLN A 38 13.893 -19.502 4.275 1.00 3.41 H new ATOM 0 HA GLN A 38 13.722 -22.151 3.072 1.00 4.21 H new ATOM 0 HB2 GLN A 38 13.095 -21.117 5.846 1.00 51.13 H new ATOM 0 HB3 GLN A 38 13.001 -22.797 5.355 1.00 51.13 H new ATOM 0 HG2 GLN A 38 15.514 -21.092 5.323 1.00 64.44 H new ATOM 0 HG3 GLN A 38 15.101 -22.271 6.552 1.00 64.44 H new ATOM 0 HE21 GLN A 38 17.420 -22.132 4.726 1.00 20.52 H new ATOM 0 HE22 GLN A 38 17.420 -23.658 3.836 1.00 20.52 H new ATOM 421 N LEU A 39 11.200 -20.239 3.777 1.00 4.33 N ATOM 422 CA LEU A 39 9.828 -20.021 3.524 1.00 74.15 C ATOM 423 C LEU A 39 9.585 -19.491 2.137 1.00 22.22 C ATOM 424 O LEU A 39 9.422 -18.272 1.910 1.00 41.33 O ATOM 425 CB LEU A 39 9.159 -19.168 4.590 1.00 45.41 C ATOM 426 CG LEU A 39 8.627 -19.889 5.809 1.00 32.42 C ATOM 427 CD1 LEU A 39 8.000 -18.898 6.761 1.00 33.44 C ATOM 428 CD2 LEU A 39 7.610 -20.935 5.399 1.00 2.21 C ATOM 0 H LEU A 39 11.683 -19.452 4.210 1.00 4.33 H new ATOM 0 HA LEU A 39 9.351 -21.000 3.578 1.00 74.15 H new ATOM 0 HB2 LEU A 39 9.877 -18.419 4.925 1.00 45.41 H new ATOM 0 HB3 LEU A 39 8.332 -18.631 4.125 1.00 45.41 H new ATOM 0 HG LEU A 39 9.455 -20.388 6.312 1.00 32.42 H new ATOM 0 HD11 LEU A 39 7.619 -19.425 7.636 1.00 33.44 H new ATOM 0 HD12 LEU A 39 8.748 -18.170 7.073 1.00 33.44 H new ATOM 0 HD13 LEU A 39 7.179 -18.383 6.262 1.00 33.44 H new ATOM 0 HD21 LEU A 39 7.236 -21.446 6.286 1.00 2.21 H new ATOM 0 HD22 LEU A 39 6.781 -20.453 4.881 1.00 2.21 H new ATOM 0 HD23 LEU A 39 8.081 -21.660 4.735 1.00 2.21 H new ATOM 440 N HIS A 40 9.642 -20.403 1.212 1.00 22.44 N ATOM 441 CA HIS A 40 9.285 -20.168 -0.156 1.00 12.32 C ATOM 442 C HIS A 40 7.753 -20.122 -0.112 1.00 51.33 C ATOM 443 O HIS A 40 7.148 -20.844 0.691 1.00 70.10 O ATOM 444 CB HIS A 40 9.762 -21.372 -0.978 1.00 14.33 C ATOM 445 CG HIS A 40 10.293 -21.079 -2.352 1.00 45.12 C ATOM 446 ND1 HIS A 40 9.518 -20.856 -3.455 1.00 50.23 N ATOM 447 CD2 HIS A 40 11.576 -21.054 -2.794 1.00 0.44 C ATOM 448 CE1 HIS A 40 10.307 -20.730 -4.510 1.00 31.52 C ATOM 449 NE2 HIS A 40 11.580 -20.835 -4.168 1.00 21.02 N ATOM 0 H HIS A 40 9.947 -21.359 1.394 1.00 22.44 H new ATOM 0 HA HIS A 40 9.715 -19.268 -0.594 1.00 12.32 H new ATOM 0 HB2 HIS A 40 10.542 -21.883 -0.413 1.00 14.33 H new ATOM 0 HB3 HIS A 40 8.930 -22.069 -1.076 1.00 14.33 H new ATOM 0 HD1 HIS A 40 8.500 -20.796 -3.464 1.00 50.23 H new ATOM 0 HD2 HIS A 40 12.453 -21.183 -2.178 1.00 0.44 H new ATOM 0 HE1 HIS A 40 9.957 -20.563 -5.518 1.00 31.52 H new ATOM 457 N GLU A 41 7.104 -19.323 -0.918 1.00 3.03 N ATOM 458 CA GLU A 41 5.676 -19.159 -0.713 1.00 22.24 C ATOM 459 C GLU A 41 4.857 -20.330 -1.254 1.00 74.31 C ATOM 460 O GLU A 41 3.775 -20.636 -0.759 1.00 74.03 O ATOM 461 CB GLU A 41 5.155 -17.763 -1.128 1.00 10.01 C ATOM 462 CG GLU A 41 5.399 -17.322 -2.556 1.00 61.13 C ATOM 463 CD GLU A 41 4.916 -15.897 -2.774 1.00 5.23 C ATOM 464 OE1 GLU A 41 3.704 -15.688 -3.023 1.00 23.30 O ATOM 465 OE2 GLU A 41 5.744 -14.965 -2.643 1.00 64.23 O ATOM 0 H GLU A 41 7.511 -18.795 -1.690 1.00 3.03 H new ATOM 0 HA GLU A 41 5.520 -19.192 0.365 1.00 22.24 H new ATOM 0 HB2 GLU A 41 4.080 -17.738 -0.947 1.00 10.01 H new ATOM 0 HB3 GLU A 41 5.607 -17.025 -0.466 1.00 10.01 H new ATOM 0 HG2 GLU A 41 6.463 -17.389 -2.785 1.00 61.13 H new ATOM 0 HG3 GLU A 41 4.883 -17.994 -3.242 1.00 61.13 H new ATOM 472 N GLU A 42 5.424 -21.022 -2.188 1.00 52.03 N ATOM 473 CA GLU A 42 4.832 -22.185 -2.821 1.00 20.43 C ATOM 474 C GLU A 42 5.024 -23.440 -1.944 1.00 13.44 C ATOM 475 O GLU A 42 4.693 -24.549 -2.345 1.00 15.13 O ATOM 476 CB GLU A 42 5.488 -22.409 -4.210 1.00 42.11 C ATOM 477 CG GLU A 42 5.520 -21.178 -5.120 1.00 60.34 C ATOM 478 CD GLU A 42 6.784 -20.351 -4.944 1.00 22.31 C ATOM 479 OE1 GLU A 42 7.093 -19.922 -3.790 1.00 62.43 O ATOM 480 OE2 GLU A 42 7.516 -20.195 -5.908 1.00 53.31 O ATOM 0 H GLU A 42 6.348 -20.794 -2.554 1.00 52.03 H new ATOM 0 HA GLU A 42 3.763 -22.011 -2.944 1.00 20.43 H new ATOM 0 HB2 GLU A 42 6.510 -22.757 -4.060 1.00 42.11 H new ATOM 0 HB3 GLU A 42 4.952 -23.207 -4.723 1.00 42.11 H new ATOM 0 HG2 GLU A 42 5.441 -21.497 -6.159 1.00 60.34 H new ATOM 0 HG3 GLU A 42 4.651 -20.554 -4.912 1.00 60.34 H new ATOM 487 N SER A 43 5.548 -23.251 -0.756 1.00 62.22 N ATOM 488 CA SER A 43 5.769 -24.336 0.160 1.00 10.10 C ATOM 489 C SER A 43 4.593 -24.480 1.129 1.00 43.04 C ATOM 490 O SER A 43 3.957 -23.483 1.513 1.00 32.22 O ATOM 491 CB SER A 43 7.071 -24.094 0.906 1.00 32.02 C ATOM 492 OG SER A 43 8.128 -23.977 -0.025 1.00 71.33 O ATOM 0 H SER A 43 5.832 -22.338 -0.400 1.00 62.22 H new ATOM 0 HA SER A 43 5.844 -25.271 -0.395 1.00 10.10 H new ATOM 0 HB2 SER A 43 6.997 -23.187 1.505 1.00 32.02 H new ATOM 0 HB3 SER A 43 7.267 -24.916 1.595 1.00 32.02 H new ATOM 0 HG SER A 43 8.969 -23.819 0.453 1.00 71.33 H new ATOM 498 N ASN A 44 4.288 -25.723 1.481 1.00 62.40 N ATOM 499 CA ASN A 44 3.223 -26.034 2.428 1.00 52.03 C ATOM 500 C ASN A 44 3.641 -25.595 3.812 1.00 53.53 C ATOM 501 O ASN A 44 4.599 -26.127 4.363 1.00 73.43 O ATOM 502 CB ASN A 44 2.903 -27.549 2.408 1.00 14.33 C ATOM 503 CG ASN A 44 1.818 -27.958 3.406 1.00 22.14 C ATOM 504 OD1 ASN A 44 0.992 -27.161 3.826 1.00 44.13 O ATOM 505 ND2 ASN A 44 1.794 -29.218 3.753 1.00 73.32 N ATOM 0 H ASN A 44 4.772 -26.544 1.118 1.00 62.40 H new ATOM 0 HA ASN A 44 2.319 -25.498 2.141 1.00 52.03 H new ATOM 0 HB2 ASN A 44 2.587 -27.832 1.404 1.00 14.33 H new ATOM 0 HB3 ASN A 44 3.814 -28.107 2.625 1.00 14.33 H new ATOM 0 HD21 ASN A 44 1.073 -29.558 4.390 1.00 73.32 H new ATOM 0 HD22 ASN A 44 2.496 -29.861 3.387 1.00 73.32 H new ATOM 512 N LEU A 45 2.909 -24.646 4.381 1.00 54.22 N ATOM 513 CA LEU A 45 3.283 -24.055 5.666 1.00 74.23 C ATOM 514 C LEU A 45 3.200 -25.055 6.760 1.00 72.32 C ATOM 515 O LEU A 45 4.055 -25.095 7.626 1.00 60.24 O ATOM 516 CB LEU A 45 2.429 -22.848 6.012 1.00 73.44 C ATOM 517 CG LEU A 45 2.540 -21.660 5.079 1.00 53.34 C ATOM 518 CD1 LEU A 45 1.676 -20.523 5.588 1.00 63.35 C ATOM 519 CD2 LEU A 45 3.991 -21.211 4.951 1.00 65.24 C ATOM 0 H LEU A 45 2.053 -24.267 3.976 1.00 54.22 H new ATOM 0 HA LEU A 45 4.316 -23.721 5.564 1.00 74.23 H new ATOM 0 HB2 LEU A 45 1.386 -23.164 6.042 1.00 73.44 H new ATOM 0 HB3 LEU A 45 2.692 -22.519 7.018 1.00 73.44 H new ATOM 0 HG LEU A 45 2.188 -21.956 4.091 1.00 53.34 H new ATOM 0 HD11 LEU A 45 1.760 -19.672 4.913 1.00 63.35 H new ATOM 0 HD12 LEU A 45 0.637 -20.848 5.634 1.00 63.35 H new ATOM 0 HD13 LEU A 45 2.009 -20.231 6.584 1.00 63.35 H new ATOM 0 HD21 LEU A 45 4.049 -20.357 4.277 1.00 65.24 H new ATOM 0 HD22 LEU A 45 4.371 -20.926 5.932 1.00 65.24 H new ATOM 0 HD23 LEU A 45 4.591 -22.029 4.553 1.00 65.24 H new ATOM 531 N ILE A 46 2.183 -25.882 6.686 1.00 33.43 N ATOM 532 CA ILE A 46 1.960 -26.957 7.649 1.00 0.01 C ATOM 533 C ILE A 46 3.203 -27.817 7.764 1.00 34.22 C ATOM 534 O ILE A 46 3.734 -28.068 8.849 1.00 54.53 O ATOM 535 CB ILE A 46 0.779 -27.849 7.184 1.00 50.53 C ATOM 536 CG1 ILE A 46 -0.539 -27.055 7.238 1.00 54.03 C ATOM 537 CG2 ILE A 46 0.713 -29.174 7.960 1.00 53.02 C ATOM 538 CD1 ILE A 46 -1.768 -27.841 6.818 1.00 33.42 C ATOM 0 H ILE A 46 1.476 -25.834 5.952 1.00 33.43 H new ATOM 0 HA ILE A 46 1.728 -26.512 8.617 1.00 0.01 H new ATOM 0 HB ILE A 46 0.949 -28.132 6.145 1.00 50.53 H new ATOM 0 HG12 ILE A 46 -0.687 -26.691 8.255 1.00 54.03 H new ATOM 0 HG13 ILE A 46 -0.447 -26.179 6.596 1.00 54.03 H new ATOM 0 HG21 ILE A 46 -0.129 -29.765 7.600 1.00 53.02 H new ATOM 0 HG22 ILE A 46 1.638 -29.731 7.809 1.00 53.02 H new ATOM 0 HG23 ILE A 46 0.583 -28.967 9.022 1.00 53.02 H new ATOM 0 HD11 ILE A 46 -2.649 -27.203 6.887 1.00 33.42 H new ATOM 0 HD12 ILE A 46 -1.647 -28.183 5.790 1.00 33.42 H new ATOM 0 HD13 ILE A 46 -1.891 -28.702 7.475 1.00 33.42 H new ATOM 550 N GLN A 47 3.708 -28.143 6.623 1.00 43.24 N ATOM 551 CA GLN A 47 4.793 -29.045 6.467 1.00 62.14 C ATOM 552 C GLN A 47 6.138 -28.341 6.729 1.00 2.41 C ATOM 553 O GLN A 47 7.176 -28.978 6.839 1.00 45.25 O ATOM 554 CB GLN A 47 4.683 -29.610 5.065 1.00 41.21 C ATOM 555 CG GLN A 47 5.590 -30.739 4.750 1.00 20.40 C ATOM 556 CD GLN A 47 5.251 -31.387 3.427 1.00 21.34 C ATOM 557 OE1 GLN A 47 4.727 -30.743 2.524 1.00 22.34 O ATOM 558 NE2 GLN A 47 5.546 -32.653 3.298 1.00 71.12 N ATOM 0 H GLN A 47 3.360 -27.772 5.739 1.00 43.24 H new ATOM 0 HA GLN A 47 4.752 -29.856 7.194 1.00 62.14 H new ATOM 0 HB2 GLN A 47 3.656 -29.939 4.906 1.00 41.21 H new ATOM 0 HB3 GLN A 47 4.874 -28.806 4.354 1.00 41.21 H new ATOM 0 HG2 GLN A 47 6.619 -30.381 4.725 1.00 20.40 H new ATOM 0 HG3 GLN A 47 5.531 -31.484 5.544 1.00 20.40 H new ATOM 0 HE21 GLN A 47 5.981 -33.156 4.071 1.00 71.12 H new ATOM 0 HE22 GLN A 47 5.341 -33.138 2.424 1.00 71.12 H new ATOM 567 N ALA A 48 6.089 -27.028 6.840 1.00 64.14 N ATOM 568 CA ALA A 48 7.265 -26.225 7.115 1.00 20.45 C ATOM 569 C ALA A 48 7.379 -25.943 8.619 1.00 70.34 C ATOM 570 O ALA A 48 8.335 -25.323 9.074 1.00 40.54 O ATOM 571 CB ALA A 48 7.211 -24.922 6.319 1.00 73.24 C ATOM 0 H ALA A 48 5.230 -26.486 6.742 1.00 64.14 H new ATOM 0 HA ALA A 48 8.151 -26.779 6.806 1.00 20.45 H new ATOM 0 HB1 ALA A 48 8.099 -24.327 6.534 1.00 73.24 H new ATOM 0 HB2 ALA A 48 7.174 -25.148 5.253 1.00 73.24 H new ATOM 0 HB3 ALA A 48 6.321 -24.360 6.601 1.00 73.24 H new ATOM 577 N GLY A 49 6.393 -26.402 9.378 1.00 42.23 N ATOM 578 CA GLY A 49 6.416 -26.213 10.814 1.00 23.44 C ATOM 579 C GLY A 49 5.234 -25.406 11.309 1.00 42.11 C ATOM 580 O GLY A 49 5.383 -24.509 12.144 1.00 12.11 O ATOM 0 H GLY A 49 5.577 -26.902 9.024 1.00 42.23 H new ATOM 0 HA2 GLY A 49 6.420 -27.186 11.306 1.00 23.44 H new ATOM 0 HA3 GLY A 49 7.340 -25.709 11.097 1.00 23.44 H new ATOM 584 N LEU A 50 4.061 -25.737 10.826 1.00 43.02 N ATOM 585 CA LEU A 50 2.859 -25.030 11.180 1.00 15.23 C ATOM 586 C LEU A 50 1.735 -26.001 11.454 1.00 42.03 C ATOM 587 O LEU A 50 1.352 -26.786 10.599 1.00 15.50 O ATOM 588 CB LEU A 50 2.523 -23.980 10.080 1.00 0.21 C ATOM 589 CG LEU A 50 1.206 -23.202 10.189 1.00 33.51 C ATOM 590 CD1 LEU A 50 1.388 -21.802 9.644 1.00 52.35 C ATOM 591 CD2 LEU A 50 0.115 -23.895 9.392 1.00 32.32 C ATOM 0 H LEU A 50 3.915 -26.508 10.174 1.00 43.02 H new ATOM 0 HA LEU A 50 3.009 -24.477 12.107 1.00 15.23 H new ATOM 0 HB2 LEU A 50 3.336 -23.254 10.055 1.00 0.21 H new ATOM 0 HB3 LEU A 50 2.526 -24.494 9.119 1.00 0.21 H new ATOM 0 HG LEU A 50 0.920 -23.160 11.240 1.00 33.51 H new ATOM 0 HD11 LEU A 50 0.449 -21.255 9.725 1.00 52.35 H new ATOM 0 HD12 LEU A 50 2.159 -21.286 10.217 1.00 52.35 H new ATOM 0 HD13 LEU A 50 1.688 -21.855 8.598 1.00 52.35 H new ATOM 0 HD21 LEU A 50 -0.814 -23.331 9.479 1.00 32.32 H new ATOM 0 HD22 LEU A 50 0.409 -23.950 8.344 1.00 32.32 H new ATOM 0 HD23 LEU A 50 -0.035 -24.903 9.780 1.00 32.32 H new ATOM 603 N ASP A 51 1.261 -25.965 12.678 1.00 40.54 N ATOM 604 CA ASP A 51 0.146 -26.769 13.128 1.00 4.01 C ATOM 605 C ASP A 51 -1.133 -26.186 12.577 1.00 22.11 C ATOM 606 O ASP A 51 -1.140 -25.072 12.044 1.00 73.21 O ATOM 607 CB ASP A 51 0.109 -26.803 14.673 1.00 13.24 C ATOM 608 CG ASP A 51 0.174 -25.414 15.290 1.00 62.50 C ATOM 609 OD1 ASP A 51 1.287 -24.861 15.389 1.00 31.02 O ATOM 610 OD2 ASP A 51 -0.864 -24.847 15.661 1.00 24.11 O ATOM 0 H ASP A 51 1.648 -25.363 13.405 1.00 40.54 H new ATOM 0 HA ASP A 51 0.257 -27.792 12.768 1.00 4.01 H new ATOM 0 HB2 ASP A 51 -0.805 -27.300 15.000 1.00 13.24 H new ATOM 0 HB3 ASP A 51 0.945 -27.399 15.040 1.00 13.24 H new ATOM 667 N ILE A 53 -3.620 -25.379 14.262 1.00 65.32 N ATOM 668 CA ILE A 53 -4.089 -24.457 15.212 1.00 41.11 C ATOM 669 C ILE A 53 -3.546 -23.103 14.797 1.00 52.41 C ATOM 670 O ILE A 53 -4.226 -22.099 14.901 1.00 5.12 O ATOM 671 CB ILE A 53 -3.680 -24.846 16.655 1.00 34.12 C ATOM 672 CG1 ILE A 53 -4.256 -26.233 17.006 1.00 21.15 C ATOM 673 CG2 ILE A 53 -4.143 -23.800 17.673 1.00 60.34 C ATOM 674 CD1 ILE A 53 -5.779 -26.342 16.887 1.00 24.05 C ATOM 0 HA ILE A 53 -5.179 -24.440 15.233 1.00 41.11 H new ATOM 0 HB ILE A 53 -2.592 -24.886 16.700 1.00 34.12 H new ATOM 0 HG12 ILE A 53 -3.800 -26.977 16.353 1.00 21.15 H new ATOM 0 HG13 ILE A 53 -3.966 -26.484 18.026 1.00 21.15 H new ATOM 0 HG21 ILE A 53 -3.838 -24.106 18.674 1.00 60.34 H new ATOM 0 HG22 ILE A 53 -3.692 -22.837 17.436 1.00 60.34 H new ATOM 0 HG23 ILE A 53 -5.229 -23.711 17.635 1.00 60.34 H new ATOM 0 HD11 ILE A 53 -6.093 -27.351 17.153 1.00 24.05 H new ATOM 0 HD12 ILE A 53 -6.249 -25.626 17.561 1.00 24.05 H new ATOM 0 HD13 ILE A 53 -6.080 -26.126 15.862 1.00 24.05 H new ATOM 686 N ARG A 54 -2.300 -23.093 14.294 1.00 33.25 N ATOM 687 CA ARG A 54 -1.696 -21.926 13.679 1.00 71.44 C ATOM 688 C ARG A 54 -2.489 -21.486 12.499 1.00 51.41 C ATOM 689 O ARG A 54 -2.830 -20.328 12.384 1.00 10.22 O ATOM 690 CB ARG A 54 -0.329 -22.235 13.209 1.00 15.11 C ATOM 691 CG ARG A 54 0.740 -21.896 14.174 1.00 24.23 C ATOM 692 CD ARG A 54 2.000 -22.341 13.590 1.00 14.23 C ATOM 693 NE ARG A 54 3.202 -21.915 14.307 1.00 44.01 N ATOM 694 CZ ARG A 54 4.108 -22.763 14.824 1.00 61.24 C ATOM 695 NH1 ARG A 54 3.731 -23.981 15.210 1.00 24.42 N ATOM 696 NH2 ARG A 54 5.355 -22.360 15.075 1.00 71.13 N ATOM 0 H ARG A 54 -1.688 -23.909 14.309 1.00 33.25 H new ATOM 0 HA ARG A 54 -1.669 -21.139 14.432 1.00 71.44 H new ATOM 0 HB2 ARG A 54 -0.269 -23.298 12.978 1.00 15.11 H new ATOM 0 HB3 ARG A 54 -0.147 -21.696 12.279 1.00 15.11 H new ATOM 0 HG2 ARG A 54 0.761 -20.823 14.364 1.00 24.23 H new ATOM 0 HG3 ARG A 54 0.565 -22.386 15.132 1.00 24.23 H new ATOM 0 HD2 ARG A 54 1.994 -23.430 13.538 1.00 14.23 H new ATOM 0 HD3 ARG A 54 2.058 -21.973 12.566 1.00 14.23 H new ATOM 0 HE ARG A 54 3.362 -20.914 14.422 1.00 44.01 H new ATOM 0 HH11 ARG A 54 2.757 -24.268 15.113 1.00 24.42 H new ATOM 0 HH12 ARG A 54 4.416 -24.626 15.603 1.00 24.42 H new ATOM 0 HH21 ARG A 54 5.630 -21.399 14.875 1.00 71.13 H new ATOM 0 HH22 ARG A 54 6.033 -23.013 15.467 1.00 71.13 H new ATOM 710 N LEU A 55 -2.802 -22.449 11.645 1.00 63.04 N ATOM 711 CA LEU A 55 -3.571 -22.243 10.415 1.00 14.25 C ATOM 712 C LEU A 55 -4.874 -21.499 10.754 1.00 24.32 C ATOM 713 O LEU A 55 -5.153 -20.430 10.208 1.00 40.44 O ATOM 714 CB LEU A 55 -3.880 -23.634 9.814 1.00 51.25 C ATOM 715 CG LEU A 55 -4.319 -23.757 8.339 1.00 71.02 C ATOM 716 CD1 LEU A 55 -5.494 -22.890 7.971 1.00 21.11 C ATOM 717 CD2 LEU A 55 -3.172 -23.551 7.404 1.00 40.44 C ATOM 0 H LEU A 55 -2.524 -23.420 11.786 1.00 63.04 H new ATOM 0 HA LEU A 55 -3.011 -21.646 9.695 1.00 14.25 H new ATOM 0 HB2 LEU A 55 -2.987 -24.247 9.939 1.00 51.25 H new ATOM 0 HB3 LEU A 55 -4.663 -24.084 10.424 1.00 51.25 H new ATOM 0 HG LEU A 55 -4.670 -24.783 8.229 1.00 71.02 H new ATOM 0 HD11 LEU A 55 -5.738 -23.036 6.919 1.00 21.11 H new ATOM 0 HD12 LEU A 55 -6.353 -23.162 8.584 1.00 21.11 H new ATOM 0 HD13 LEU A 55 -5.242 -21.844 8.143 1.00 21.11 H new ATOM 0 HD21 LEU A 55 -3.520 -23.645 6.375 1.00 40.44 H new ATOM 0 HD22 LEU A 55 -2.753 -22.556 7.556 1.00 40.44 H new ATOM 0 HD23 LEU A 55 -2.405 -24.301 7.598 1.00 40.44 H new ATOM 729 N MET A 56 -5.648 -22.051 11.669 1.00 44.25 N ATOM 730 CA MET A 56 -6.892 -21.419 12.065 1.00 51.12 C ATOM 731 C MET A 56 -6.644 -20.085 12.757 1.00 53.51 C ATOM 732 O MET A 56 -7.394 -19.130 12.561 1.00 34.12 O ATOM 733 CB MET A 56 -7.711 -22.305 12.964 1.00 43.21 C ATOM 734 CG MET A 56 -9.023 -21.657 13.389 1.00 72.43 C ATOM 735 SD MET A 56 -9.586 -22.236 14.972 1.00 72.10 S ATOM 736 CE MET A 56 -8.117 -21.851 15.915 1.00 73.34 C ATOM 0 H MET A 56 -5.440 -22.927 12.148 1.00 44.25 H new ATOM 0 HA MET A 56 -7.453 -21.244 11.147 1.00 51.12 H new ATOM 0 HB2 MET A 56 -7.923 -23.242 12.449 1.00 43.21 H new ATOM 0 HB3 MET A 56 -7.129 -22.554 13.851 1.00 43.21 H new ATOM 0 HG2 MET A 56 -8.895 -20.575 13.426 1.00 72.43 H new ATOM 0 HG3 MET A 56 -9.786 -21.862 12.638 1.00 72.43 H new ATOM 0 HE1 MET A 56 -8.394 -21.626 16.945 1.00 73.34 H new ATOM 0 HE2 MET A 56 -7.441 -22.706 15.900 1.00 73.34 H new ATOM 0 HE3 MET A 56 -7.619 -20.986 15.476 1.00 73.34 H new ATOM 746 N ARG A 57 -5.596 -20.012 13.565 1.00 43.33 N ATOM 747 CA ARG A 57 -5.228 -18.768 14.209 1.00 3.04 C ATOM 748 C ARG A 57 -4.937 -17.675 13.174 1.00 44.23 C ATOM 749 O ARG A 57 -5.185 -16.506 13.405 1.00 25.35 O ATOM 750 CB ARG A 57 -4.046 -18.956 15.100 1.00 32.23 C ATOM 751 CG ARG A 57 -4.427 -19.505 16.448 1.00 74.02 C ATOM 752 CD ARG A 57 -3.219 -19.713 17.289 1.00 50.13 C ATOM 753 NE ARG A 57 -2.428 -20.907 16.877 1.00 4.32 N ATOM 754 CZ ARG A 57 -1.180 -21.235 17.317 1.00 54.31 C ATOM 755 NH1 ARG A 57 -0.464 -20.350 18.018 1.00 24.30 N ATOM 756 NH2 ARG A 57 -0.636 -22.438 17.013 1.00 4.33 N ATOM 0 H ARG A 57 -4.989 -20.801 13.787 1.00 43.33 H new ATOM 0 HA ARG A 57 -6.075 -18.451 14.817 1.00 3.04 H new ATOM 0 HB2 ARG A 57 -3.338 -19.633 14.622 1.00 32.23 H new ATOM 0 HB3 ARG A 57 -3.537 -18.001 15.230 1.00 32.23 H new ATOM 0 HG2 ARG A 57 -5.110 -18.817 16.947 1.00 74.02 H new ATOM 0 HG3 ARG A 57 -4.958 -20.449 16.325 1.00 74.02 H new ATOM 0 HD2 ARG A 57 -2.586 -18.827 17.234 1.00 50.13 H new ATOM 0 HD3 ARG A 57 -3.521 -19.825 18.330 1.00 50.13 H new ATOM 0 HE ARG A 57 -2.861 -21.538 16.203 1.00 4.32 H new ATOM 0 HH11 ARG A 57 -0.851 -19.429 18.224 1.00 24.30 H new ATOM 0 HH12 ARG A 57 0.470 -20.596 18.347 1.00 24.30 H new ATOM 0 HH21 ARG A 57 -1.161 -23.108 16.450 1.00 4.33 H new ATOM 0 HH22 ARG A 57 0.298 -22.674 17.347 1.00 4.33 H new ATOM 770 N TRP A 58 -4.426 -18.096 12.023 1.00 63.44 N ATOM 771 CA TRP A 58 -4.162 -17.213 10.905 1.00 1.20 C ATOM 772 C TRP A 58 -5.427 -16.696 10.260 1.00 53.13 C ATOM 773 O TRP A 58 -5.466 -15.562 9.795 1.00 3.24 O ATOM 774 CB TRP A 58 -3.224 -17.854 9.880 1.00 33.52 C ATOM 775 CG TRP A 58 -1.801 -17.739 10.284 1.00 51.14 C ATOM 776 CD1 TRP A 58 -0.925 -18.747 10.536 1.00 10.41 C ATOM 777 CD2 TRP A 58 -1.096 -16.513 10.499 1.00 40.31 C ATOM 778 NE1 TRP A 58 0.296 -18.212 10.920 1.00 72.22 N ATOM 779 CE2 TRP A 58 0.210 -16.833 10.885 1.00 21.24 C ATOM 780 CE3 TRP A 58 -1.461 -15.168 10.393 1.00 30.25 C ATOM 781 CZ2 TRP A 58 1.166 -15.834 11.170 1.00 70.12 C ATOM 782 CZ3 TRP A 58 -0.529 -14.199 10.669 1.00 52.23 C ATOM 783 CH2 TRP A 58 0.763 -14.532 11.048 1.00 42.13 C ATOM 0 H TRP A 58 -4.183 -19.070 11.843 1.00 63.44 H new ATOM 0 HA TRP A 58 -3.648 -16.344 11.316 1.00 1.20 H new ATOM 0 HB2 TRP A 58 -3.483 -18.906 9.759 1.00 33.52 H new ATOM 0 HB3 TRP A 58 -3.366 -17.377 8.910 1.00 33.52 H new ATOM 0 HD1 TRP A 58 -1.145 -19.801 10.451 1.00 10.41 H new ATOM 0 HE1 TRP A 58 1.122 -18.749 11.185 1.00 72.22 H new ATOM 0 HE3 TRP A 58 -2.463 -14.895 10.098 1.00 30.25 H new ATOM 0 HZ2 TRP A 58 2.172 -16.086 11.471 1.00 70.12 H new ATOM 0 HZ3 TRP A 58 -0.807 -13.158 10.590 1.00 52.23 H new ATOM 0 HH2 TRP A 58 1.470 -13.742 11.252 1.00 42.13 H new ATOM 794 N LEU A 59 -6.479 -17.496 10.264 1.00 25.14 N ATOM 795 CA LEU A 59 -7.757 -17.043 9.736 1.00 71.50 C ATOM 796 C LEU A 59 -8.299 -15.919 10.593 1.00 74.12 C ATOM 797 O LEU A 59 -8.974 -15.003 10.107 1.00 5.11 O ATOM 798 CB LEU A 59 -8.767 -18.153 9.674 1.00 41.53 C ATOM 799 CG LEU A 59 -10.076 -17.745 9.023 1.00 1.41 C ATOM 800 CD1 LEU A 59 -9.861 -17.350 7.568 1.00 21.03 C ATOM 801 CD2 LEU A 59 -11.048 -18.843 9.125 1.00 62.12 C ATOM 0 H LEU A 59 -6.477 -18.451 10.622 1.00 25.14 H new ATOM 0 HA LEU A 59 -7.583 -16.690 8.719 1.00 71.50 H new ATOM 0 HB2 LEU A 59 -8.341 -18.991 9.121 1.00 41.53 H new ATOM 0 HB3 LEU A 59 -8.968 -18.507 10.685 1.00 41.53 H new ATOM 0 HG LEU A 59 -10.470 -16.875 9.549 1.00 1.41 H new ATOM 0 HD11 LEU A 59 -10.814 -17.062 7.125 1.00 21.03 H new ATOM 0 HD12 LEU A 59 -9.169 -16.510 7.518 1.00 21.03 H new ATOM 0 HD13 LEU A 59 -9.446 -18.195 7.019 1.00 21.03 H new ATOM 0 HD21 LEU A 59 -11.985 -18.544 8.656 1.00 62.12 H new ATOM 0 HD22 LEU A 59 -10.655 -19.725 8.620 1.00 62.12 H new ATOM 0 HD23 LEU A 59 -11.226 -19.075 10.175 1.00 62.12 H new ATOM 813 N HIS A 60 -7.957 -15.980 11.862 1.00 21.32 N ATOM 814 CA HIS A 60 -8.318 -14.962 12.830 1.00 11.31 C ATOM 815 C HIS A 60 -7.606 -13.665 12.534 1.00 73.44 C ATOM 816 O HIS A 60 -8.018 -12.608 12.968 1.00 41.15 O ATOM 817 CB HIS A 60 -8.010 -15.431 14.243 1.00 50.31 C ATOM 818 CG HIS A 60 -8.939 -16.478 14.725 1.00 1.12 C ATOM 819 ND1 HIS A 60 -8.667 -17.825 14.762 1.00 14.44 N ATOM 820 CD2 HIS A 60 -10.160 -16.335 15.217 1.00 44.41 C ATOM 821 CE1 HIS A 60 -9.730 -18.438 15.285 1.00 55.14 C ATOM 822 NE2 HIS A 60 -10.669 -17.573 15.581 1.00 11.14 N ATOM 0 H HIS A 60 -7.413 -16.747 12.257 1.00 21.32 H new ATOM 0 HA HIS A 60 -9.391 -14.787 12.753 1.00 11.31 H new ATOM 0 HB2 HIS A 60 -6.990 -15.815 14.277 1.00 50.31 H new ATOM 0 HB3 HIS A 60 -8.052 -14.577 14.920 1.00 50.31 H new ATOM 0 HD2 HIS A 60 -10.682 -15.395 15.320 1.00 44.41 H new ATOM 0 HE1 HIS A 60 -9.807 -19.504 15.443 1.00 55.14 H new ATOM 0 HE2 HIS A 60 -11.582 -17.769 15.992 1.00 11.14 H new ATOM 830 N TRP A 61 -6.529 -13.758 11.811 1.00 75.53 N ATOM 831 CA TRP A 61 -5.821 -12.607 11.373 1.00 14.13 C ATOM 832 C TRP A 61 -6.490 -12.089 10.099 1.00 20.33 C ATOM 833 O TRP A 61 -6.911 -10.941 10.048 1.00 31.24 O ATOM 834 CB TRP A 61 -4.344 -12.960 11.167 1.00 44.10 C ATOM 835 CG TRP A 61 -3.446 -11.824 10.782 1.00 3.53 C ATOM 836 CD1 TRP A 61 -2.991 -10.818 11.587 1.00 43.42 C ATOM 837 CD2 TRP A 61 -2.848 -11.612 9.503 1.00 52.42 C ATOM 838 NE1 TRP A 61 -2.161 -9.988 10.876 1.00 2.35 N ATOM 839 CE2 TRP A 61 -2.056 -10.458 9.594 1.00 11.45 C ATOM 840 CE3 TRP A 61 -2.911 -12.288 8.285 1.00 31.20 C ATOM 841 CZ2 TRP A 61 -1.332 -9.966 8.517 1.00 55.25 C ATOM 842 CZ3 TRP A 61 -2.191 -11.797 7.220 1.00 24.21 C ATOM 843 CH2 TRP A 61 -1.413 -10.650 7.343 1.00 12.14 C ATOM 0 H TRP A 61 -6.120 -14.643 11.511 1.00 75.53 H new ATOM 0 HA TRP A 61 -5.853 -11.813 12.119 1.00 14.13 H new ATOM 0 HB2 TRP A 61 -3.964 -13.401 12.088 1.00 44.10 H new ATOM 0 HB3 TRP A 61 -4.278 -13.727 10.395 1.00 44.10 H new ATOM 0 HD1 TRP A 61 -3.247 -10.694 12.629 1.00 43.42 H new ATOM 0 HE1 TRP A 61 -1.698 -9.157 11.243 1.00 2.35 H new ATOM 0 HE3 TRP A 61 -3.513 -13.179 8.180 1.00 31.20 H new ATOM 0 HZ2 TRP A 61 -0.728 -9.075 8.607 1.00 55.25 H new ATOM 0 HZ3 TRP A 61 -2.231 -12.311 6.271 1.00 24.21 H new ATOM 0 HH2 TRP A 61 -0.860 -10.294 6.486 1.00 12.14 H new ATOM 854 N PHE A 62 -6.672 -12.985 9.120 1.00 41.21 N ATOM 855 CA PHE A 62 -7.291 -12.649 7.822 1.00 2.24 C ATOM 856 C PHE A 62 -8.681 -12.022 7.964 1.00 2.03 C ATOM 857 O PHE A 62 -8.917 -10.903 7.496 1.00 32.12 O ATOM 858 CB PHE A 62 -7.394 -13.875 6.904 1.00 51.34 C ATOM 859 CG PHE A 62 -6.081 -14.452 6.468 1.00 34.22 C ATOM 860 CD1 PHE A 62 -5.168 -13.677 5.794 1.00 1.51 C ATOM 861 CD2 PHE A 62 -5.760 -15.766 6.738 1.00 14.11 C ATOM 862 CE1 PHE A 62 -3.959 -14.205 5.396 1.00 15.11 C ATOM 863 CE2 PHE A 62 -4.555 -16.295 6.344 1.00 61.32 C ATOM 864 CZ PHE A 62 -3.654 -15.511 5.672 1.00 1.31 C ATOM 0 H PHE A 62 -6.396 -13.964 9.201 1.00 41.21 H new ATOM 0 HA PHE A 62 -6.626 -11.910 7.375 1.00 2.24 H new ATOM 0 HB2 PHE A 62 -7.961 -14.650 7.420 1.00 51.34 H new ATOM 0 HB3 PHE A 62 -7.965 -13.599 6.017 1.00 51.34 H new ATOM 0 HD1 PHE A 62 -5.400 -12.645 5.574 1.00 1.51 H new ATOM 0 HD2 PHE A 62 -6.467 -16.388 7.267 1.00 14.11 H new ATOM 0 HE1 PHE A 62 -3.250 -13.587 4.865 1.00 15.11 H new ATOM 0 HE2 PHE A 62 -4.318 -17.326 6.563 1.00 61.32 H new ATOM 0 HZ PHE A 62 -2.705 -15.922 5.361 1.00 1.31 H new ATOM 874 N ARG A 63 -9.594 -12.724 8.635 1.00 23.44 N ATOM 875 CA ARG A 63 -10.968 -12.246 8.790 1.00 23.04 C ATOM 876 C ARG A 63 -11.056 -10.945 9.541 1.00 5.30 C ATOM 877 O ARG A 63 -11.953 -10.136 9.300 1.00 42.44 O ATOM 878 CB ARG A 63 -11.861 -13.276 9.437 1.00 71.42 C ATOM 879 CG ARG A 63 -12.221 -14.405 8.507 1.00 31.23 C ATOM 880 CD ARG A 63 -13.452 -15.091 9.004 1.00 13.14 C ATOM 881 NE ARG A 63 -13.976 -16.083 8.044 1.00 21.54 N ATOM 882 CZ ARG A 63 -15.165 -16.704 8.122 1.00 34.42 C ATOM 883 NH1 ARG A 63 -15.922 -16.573 9.221 1.00 64.41 N ATOM 884 NH2 ARG A 63 -15.586 -17.479 7.105 1.00 12.24 N ATOM 0 H ARG A 63 -9.408 -13.623 9.079 1.00 23.44 H new ATOM 0 HA ARG A 63 -11.325 -12.067 7.776 1.00 23.04 H new ATOM 0 HB2 ARG A 63 -11.362 -13.682 10.317 1.00 71.42 H new ATOM 0 HB3 ARG A 63 -12.774 -12.792 9.784 1.00 71.42 H new ATOM 0 HG2 ARG A 63 -12.388 -14.021 7.500 1.00 31.23 H new ATOM 0 HG3 ARG A 63 -11.397 -15.115 8.445 1.00 31.23 H new ATOM 0 HD2 ARG A 63 -13.231 -15.587 9.949 1.00 13.14 H new ATOM 0 HD3 ARG A 63 -14.221 -14.346 9.208 1.00 13.14 H new ATOM 0 HE ARG A 63 -13.381 -16.318 7.249 1.00 21.54 H new ATOM 0 HH11 ARG A 63 -15.596 -16.001 10.000 1.00 64.41 H new ATOM 0 HH12 ARG A 63 -16.824 -17.045 9.278 1.00 64.41 H new ATOM 0 HH21 ARG A 63 -15.003 -17.594 6.276 1.00 12.24 H new ATOM 0 HH22 ARG A 63 -16.488 -17.951 7.163 1.00 12.24 H new ATOM 898 N LYS A 64 -10.098 -10.735 10.397 1.00 32.34 N ATOM 899 CA LYS A 64 -10.022 -9.570 11.242 1.00 22.14 C ATOM 900 C LYS A 64 -9.432 -8.385 10.469 1.00 33.34 C ATOM 901 O LYS A 64 -9.751 -7.241 10.738 1.00 70.23 O ATOM 902 CB LYS A 64 -9.129 -9.920 12.399 1.00 63.22 C ATOM 903 CG LYS A 64 -8.979 -8.870 13.465 1.00 71.23 C ATOM 904 CD LYS A 64 -7.982 -9.327 14.518 1.00 3.41 C ATOM 905 CE LYS A 64 -6.607 -9.636 13.896 1.00 21.14 C ATOM 906 NZ LYS A 64 -6.110 -8.540 12.999 1.00 32.54 N ATOM 0 H LYS A 64 -9.324 -11.386 10.533 1.00 32.34 H new ATOM 0 HA LYS A 64 -11.015 -9.282 11.586 1.00 22.14 H new ATOM 0 HB2 LYS A 64 -9.512 -10.828 12.865 1.00 63.22 H new ATOM 0 HB3 LYS A 64 -8.139 -10.155 12.008 1.00 63.22 H new ATOM 0 HG2 LYS A 64 -8.644 -7.934 13.019 1.00 71.23 H new ATOM 0 HG3 LYS A 64 -9.945 -8.673 13.930 1.00 71.23 H new ATOM 0 HD2 LYS A 64 -7.873 -8.553 15.278 1.00 3.41 H new ATOM 0 HD3 LYS A 64 -8.363 -10.216 15.020 1.00 3.41 H new ATOM 0 HE2 LYS A 64 -5.883 -9.802 14.693 1.00 21.14 H new ATOM 0 HE3 LYS A 64 -6.672 -10.563 13.326 1.00 21.14 H new ATOM 0 HZ1 LYS A 64 -5.096 -8.386 13.168 1.00 32.54 H new ATOM 0 HZ2 LYS A 64 -6.258 -8.810 12.006 1.00 32.54 H new ATOM 0 HZ3 LYS A 64 -6.632 -7.663 13.201 1.00 32.54 H new ATOM 920 N ASN A 65 -8.556 -8.683 9.524 1.00 10.04 N ATOM 921 CA ASN A 65 -7.916 -7.655 8.687 1.00 22.50 C ATOM 922 C ASN A 65 -8.844 -7.208 7.567 1.00 75.24 C ATOM 923 O ASN A 65 -8.549 -6.275 6.836 1.00 63.12 O ATOM 924 CB ASN A 65 -6.573 -8.148 8.103 1.00 33.43 C ATOM 925 CG ASN A 65 -5.406 -8.148 9.091 1.00 61.41 C ATOM 926 OD1 ASN A 65 -5.591 -8.253 10.333 1.00 12.44 O ATOM 927 ND2 ASN A 65 -4.202 -8.074 8.568 1.00 61.20 N ATOM 0 H ASN A 65 -8.263 -9.636 9.308 1.00 10.04 H new ATOM 0 HA ASN A 65 -7.709 -6.800 9.331 1.00 22.50 H new ATOM 0 HB2 ASN A 65 -6.708 -9.160 7.722 1.00 33.43 H new ATOM 0 HB3 ASN A 65 -6.310 -7.520 7.252 1.00 33.43 H new ATOM 0 HD21 ASN A 65 -3.381 -8.101 9.172 1.00 61.20 H new ATOM 0 HD22 ASN A 65 -4.089 -7.990 7.558 1.00 61.20 H new ATOM 934 N GLY A 66 -9.966 -7.890 7.433 1.00 32.25 N ATOM 935 CA GLY A 66 -10.944 -7.500 6.448 1.00 45.01 C ATOM 936 C GLY A 66 -11.122 -8.516 5.350 1.00 44.43 C ATOM 937 O GLY A 66 -11.969 -8.352 4.472 1.00 63.22 O ATOM 0 H GLY A 66 -10.217 -8.707 7.989 1.00 32.25 H new ATOM 0 HA2 GLY A 66 -11.902 -7.337 6.942 1.00 45.01 H new ATOM 0 HA3 GLY A 66 -10.647 -6.548 6.008 1.00 45.01 H new ATOM 941 N TYR A 67 -10.377 -9.585 5.405 1.00 35.34 N ATOM 942 CA TYR A 67 -10.441 -10.581 4.372 1.00 0.15 C ATOM 943 C TYR A 67 -11.554 -11.554 4.626 1.00 12.23 C ATOM 944 O TYR A 67 -11.637 -12.180 5.687 1.00 41.41 O ATOM 945 CB TYR A 67 -9.117 -11.326 4.233 1.00 40.40 C ATOM 946 CG TYR A 67 -7.973 -10.413 3.938 1.00 44.42 C ATOM 947 CD1 TYR A 67 -7.260 -9.836 4.964 1.00 61.15 C ATOM 948 CD2 TYR A 67 -7.627 -10.098 2.637 1.00 23.34 C ATOM 949 CE1 TYR A 67 -6.243 -8.970 4.720 1.00 60.32 C ATOM 950 CE2 TYR A 67 -6.594 -9.232 2.376 1.00 25.33 C ATOM 951 CZ TYR A 67 -5.906 -8.665 3.439 1.00 14.31 C ATOM 952 OH TYR A 67 -4.893 -7.788 3.219 1.00 23.51 O ATOM 0 H TYR A 67 -9.717 -9.789 6.156 1.00 35.34 H new ATOM 0 HA TYR A 67 -10.641 -10.060 3.436 1.00 0.15 H new ATOM 0 HB2 TYR A 67 -8.913 -11.872 5.154 1.00 40.40 H new ATOM 0 HB3 TYR A 67 -9.202 -12.065 3.436 1.00 40.40 H new ATOM 0 HD1 TYR A 67 -7.515 -10.077 5.985 1.00 61.15 H new ATOM 0 HD2 TYR A 67 -8.175 -10.538 1.817 1.00 23.34 H new ATOM 0 HE1 TYR A 67 -5.703 -8.524 5.542 1.00 60.32 H new ATOM 0 HE2 TYR A 67 -6.321 -8.996 1.358 1.00 25.33 H new ATOM 0 HH TYR A 67 -4.356 -8.093 2.458 1.00 23.51 H new ATOM 962 N ARG A 68 -12.457 -11.634 3.697 1.00 63.44 N ATOM 963 CA ARG A 68 -13.473 -12.641 3.753 1.00 50.43 C ATOM 964 C ARG A 68 -12.940 -13.922 3.156 1.00 51.14 C ATOM 965 O ARG A 68 -13.010 -14.145 1.943 1.00 0.15 O ATOM 966 CB ARG A 68 -14.786 -12.215 3.098 1.00 40.34 C ATOM 967 CG ARG A 68 -15.761 -11.449 3.975 1.00 64.53 C ATOM 968 CD ARG A 68 -15.260 -10.089 4.323 1.00 14.32 C ATOM 969 NE ARG A 68 -14.500 -10.033 5.601 1.00 22.14 N ATOM 970 CZ ARG A 68 -14.496 -8.963 6.438 1.00 72.44 C ATOM 971 NH1 ARG A 68 -15.162 -7.848 6.105 1.00 43.33 N ATOM 972 NH2 ARG A 68 -13.812 -8.999 7.591 1.00 64.23 N ATOM 0 H ARG A 68 -12.512 -11.013 2.890 1.00 63.44 H new ATOM 0 HA ARG A 68 -13.720 -12.804 4.802 1.00 50.43 H new ATOM 0 HB2 ARG A 68 -14.551 -11.599 2.230 1.00 40.34 H new ATOM 0 HB3 ARG A 68 -15.289 -13.108 2.728 1.00 40.34 H new ATOM 0 HG2 ARG A 68 -16.718 -11.361 3.460 1.00 64.53 H new ATOM 0 HG3 ARG A 68 -15.943 -12.012 4.890 1.00 64.53 H new ATOM 0 HD2 ARG A 68 -14.621 -9.731 3.516 1.00 14.32 H new ATOM 0 HD3 ARG A 68 -16.107 -9.406 4.386 1.00 14.32 H new ATOM 0 HE ARG A 68 -13.948 -10.849 5.865 1.00 22.14 H new ATOM 0 HH11 ARG A 68 -15.672 -7.803 5.223 1.00 43.33 H new ATOM 0 HH12 ARG A 68 -15.159 -7.045 6.734 1.00 43.33 H new ATOM 0 HH21 ARG A 68 -13.288 -9.836 7.847 1.00 64.23 H new ATOM 0 HH22 ARG A 68 -13.816 -8.190 8.212 1.00 64.23 H new ATOM 986 N LEU A 69 -12.321 -14.673 4.008 1.00 55.45 N ATOM 987 CA LEU A 69 -11.718 -15.957 3.714 1.00 60.13 C ATOM 988 C LEU A 69 -12.229 -16.923 4.741 1.00 71.31 C ATOM 989 O LEU A 69 -12.556 -16.505 5.857 1.00 72.34 O ATOM 990 CB LEU A 69 -10.181 -15.853 3.842 1.00 2.42 C ATOM 991 CG LEU A 69 -9.457 -15.022 2.780 1.00 15.14 C ATOM 992 CD1 LEU A 69 -8.015 -14.759 3.192 1.00 12.33 C ATOM 993 CD2 LEU A 69 -9.473 -15.762 1.466 1.00 41.24 C ATOM 0 H LEU A 69 -12.210 -14.403 4.985 1.00 55.45 H new ATOM 0 HA LEU A 69 -11.965 -16.279 2.703 1.00 60.13 H new ATOM 0 HB2 LEU A 69 -9.949 -15.432 4.820 1.00 2.42 H new ATOM 0 HB3 LEU A 69 -9.769 -16.862 3.824 1.00 2.42 H new ATOM 0 HG LEU A 69 -9.971 -14.067 2.677 1.00 15.14 H new ATOM 0 HD11 LEU A 69 -7.519 -14.167 2.423 1.00 12.33 H new ATOM 0 HD12 LEU A 69 -8.000 -14.214 4.136 1.00 12.33 H new ATOM 0 HD13 LEU A 69 -7.492 -15.708 3.313 1.00 12.33 H new ATOM 0 HD21 LEU A 69 -8.958 -15.171 0.709 1.00 41.24 H new ATOM 0 HD22 LEU A 69 -8.969 -16.721 1.583 1.00 41.24 H new ATOM 0 HD23 LEU A 69 -10.504 -15.930 1.155 1.00 41.24 H new ATOM 1005 N THR A 70 -12.358 -18.149 4.396 1.00 61.43 N ATOM 1006 CA THR A 70 -12.786 -19.138 5.313 1.00 23.51 C ATOM 1007 C THR A 70 -11.634 -20.149 5.540 1.00 12.01 C ATOM 1008 O THR A 70 -10.632 -20.150 4.823 1.00 4.30 O ATOM 1009 CB THR A 70 -14.108 -19.786 4.798 1.00 34.14 C ATOM 1010 OG1 THR A 70 -15.055 -18.731 4.570 1.00 55.22 O ATOM 1011 CG2 THR A 70 -14.717 -20.772 5.792 1.00 63.21 C ATOM 0 H THR A 70 -12.167 -18.499 3.457 1.00 61.43 H new ATOM 0 HA THR A 70 -13.018 -18.706 6.286 1.00 23.51 H new ATOM 0 HB THR A 70 -13.875 -20.343 3.890 1.00 34.14 H new ATOM 0 HG1 THR A 70 -15.897 -19.112 4.243 1.00 55.22 H new ATOM 0 HG21 THR A 70 -15.634 -21.189 5.376 1.00 63.21 H new ATOM 0 HG22 THR A 70 -14.008 -21.577 5.986 1.00 63.21 H new ATOM 0 HG23 THR A 70 -14.944 -20.255 6.725 1.00 63.21 H new ATOM 1019 N LEU A 71 -11.768 -20.953 6.564 1.00 40.51 N ATOM 1020 CA LEU A 71 -10.728 -21.855 6.994 1.00 64.44 C ATOM 1021 C LEU A 71 -10.516 -23.028 6.030 1.00 20.12 C ATOM 1022 O LEU A 71 -9.429 -23.589 5.974 1.00 30.34 O ATOM 1023 CB LEU A 71 -11.065 -22.378 8.390 1.00 34.34 C ATOM 1024 CG LEU A 71 -9.943 -23.089 9.123 1.00 43.04 C ATOM 1025 CD1 LEU A 71 -8.806 -22.140 9.420 1.00 23.21 C ATOM 1026 CD2 LEU A 71 -10.443 -23.715 10.394 1.00 32.13 C ATOM 0 H LEU A 71 -12.614 -21.001 7.131 1.00 40.51 H new ATOM 0 HA LEU A 71 -9.793 -21.294 7.010 1.00 64.44 H new ATOM 0 HB2 LEU A 71 -11.396 -21.538 9.001 1.00 34.34 H new ATOM 0 HB3 LEU A 71 -11.909 -23.063 8.306 1.00 34.34 H new ATOM 0 HG LEU A 71 -9.571 -23.880 8.472 1.00 43.04 H new ATOM 0 HD11 LEU A 71 -8.014 -22.674 9.946 1.00 23.21 H new ATOM 0 HD12 LEU A 71 -8.414 -21.738 8.486 1.00 23.21 H new ATOM 0 HD13 LEU A 71 -9.168 -21.322 10.043 1.00 23.21 H new ATOM 0 HD21 LEU A 71 -9.619 -24.218 10.900 1.00 32.13 H new ATOM 0 HD22 LEU A 71 -10.851 -22.941 11.045 1.00 32.13 H new ATOM 0 HD23 LEU A 71 -11.222 -24.440 10.160 1.00 32.13 H new ATOM 1038 N ARG A 72 -11.536 -23.375 5.255 1.00 31.45 N ATOM 1039 CA ARG A 72 -11.446 -24.570 4.415 1.00 34.30 C ATOM 1040 C ARG A 72 -10.489 -24.351 3.274 1.00 75.44 C ATOM 1041 O ARG A 72 -9.673 -25.212 2.970 1.00 64.45 O ATOM 1042 CB ARG A 72 -12.807 -25.037 3.859 1.00 2.44 C ATOM 1043 CG ARG A 72 -13.721 -25.758 4.824 1.00 53.43 C ATOM 1044 CD ARG A 72 -14.295 -24.825 5.823 1.00 31.33 C ATOM 1045 NE ARG A 72 -15.162 -25.520 6.793 1.00 10.23 N ATOM 1046 CZ ARG A 72 -15.602 -24.997 7.946 1.00 74.32 C ATOM 1047 NH1 ARG A 72 -15.391 -23.715 8.222 1.00 33.34 N ATOM 1048 NH2 ARG A 72 -16.296 -25.744 8.806 1.00 10.01 N ATOM 0 H ARG A 72 -12.416 -22.863 5.188 1.00 31.45 H new ATOM 0 HA ARG A 72 -11.077 -25.361 5.068 1.00 34.30 H new ATOM 0 HB2 ARG A 72 -13.336 -24.164 3.476 1.00 2.44 H new ATOM 0 HB3 ARG A 72 -12.621 -25.695 3.010 1.00 2.44 H new ATOM 0 HG2 ARG A 72 -14.526 -26.243 4.272 1.00 53.43 H new ATOM 0 HG3 ARG A 72 -13.166 -26.545 5.335 1.00 53.43 H new ATOM 0 HD2 ARG A 72 -13.488 -24.321 6.354 1.00 31.33 H new ATOM 0 HD3 ARG A 72 -14.870 -24.054 5.311 1.00 31.33 H new ATOM 0 HE ARG A 72 -15.449 -26.473 6.569 1.00 10.23 H new ATOM 0 HH11 ARG A 72 -14.893 -23.125 7.556 1.00 33.34 H new ATOM 0 HH12 ARG A 72 -15.727 -23.320 9.100 1.00 33.34 H new ATOM 0 HH21 ARG A 72 -16.495 -26.720 8.588 1.00 10.01 H new ATOM 0 HH22 ARG A 72 -16.627 -25.339 9.681 1.00 10.01 H new ATOM 1062 N GLU A 73 -10.588 -23.192 2.670 1.00 70.33 N ATOM 1063 CA GLU A 73 -9.761 -22.804 1.552 1.00 73.24 C ATOM 1064 C GLU A 73 -8.301 -22.797 1.962 1.00 0.12 C ATOM 1065 O GLU A 73 -7.424 -23.240 1.210 1.00 50.41 O ATOM 1066 CB GLU A 73 -10.148 -21.410 1.025 1.00 62.12 C ATOM 1067 CG GLU A 73 -11.643 -21.196 0.769 1.00 45.12 C ATOM 1068 CD GLU A 73 -12.402 -20.771 2.014 1.00 73.45 C ATOM 1069 OE1 GLU A 73 -12.701 -21.641 2.899 1.00 12.20 O ATOM 1070 OE2 GLU A 73 -12.688 -19.562 2.142 1.00 64.15 O ATOM 0 H GLU A 73 -11.260 -22.476 2.947 1.00 70.33 H new ATOM 0 HA GLU A 73 -9.918 -23.531 0.755 1.00 73.24 H new ATOM 0 HB2 GLU A 73 -9.809 -20.662 1.742 1.00 62.12 H new ATOM 0 HB3 GLU A 73 -9.608 -21.229 0.096 1.00 62.12 H new ATOM 0 HG2 GLU A 73 -11.769 -20.437 -0.004 1.00 45.12 H new ATOM 0 HG3 GLU A 73 -12.076 -22.119 0.383 1.00 45.12 H new ATOM 1077 N LEU A 74 -8.048 -22.334 3.179 1.00 54.33 N ATOM 1078 CA LEU A 74 -6.692 -22.261 3.679 1.00 11.11 C ATOM 1079 C LEU A 74 -6.121 -23.655 3.900 1.00 1.11 C ATOM 1080 O LEU A 74 -4.941 -23.864 3.713 1.00 62.12 O ATOM 1081 CB LEU A 74 -6.574 -21.482 4.986 1.00 71.01 C ATOM 1082 CG LEU A 74 -7.138 -20.072 5.057 1.00 72.13 C ATOM 1083 CD1 LEU A 74 -6.592 -19.369 6.265 1.00 14.42 C ATOM 1084 CD2 LEU A 74 -6.862 -19.265 3.816 1.00 73.04 C ATOM 0 H LEU A 74 -8.762 -22.007 3.830 1.00 54.33 H new ATOM 0 HA LEU A 74 -6.127 -21.729 2.914 1.00 11.11 H new ATOM 0 HB2 LEU A 74 -7.060 -22.070 5.765 1.00 71.01 H new ATOM 0 HB3 LEU A 74 -5.516 -21.426 5.242 1.00 71.01 H new ATOM 0 HG LEU A 74 -8.221 -20.163 5.135 1.00 72.13 H new ATOM 0 HD11 LEU A 74 -6.998 -18.359 6.313 1.00 14.42 H new ATOM 0 HD12 LEU A 74 -6.875 -19.917 7.164 1.00 14.42 H new ATOM 0 HD13 LEU A 74 -5.505 -19.320 6.197 1.00 14.42 H new ATOM 0 HD21 LEU A 74 -7.289 -18.268 3.928 1.00 73.04 H new ATOM 0 HD22 LEU A 74 -5.785 -19.184 3.667 1.00 73.04 H new ATOM 0 HD23 LEU A 74 -7.311 -19.758 2.954 1.00 73.04 H new ATOM 1096 N TYR A 75 -6.968 -24.595 4.320 1.00 4.24 N ATOM 1097 CA TYR A 75 -6.532 -25.981 4.515 1.00 53.50 C ATOM 1098 C TYR A 75 -6.371 -26.705 3.210 1.00 65.02 C ATOM 1099 O TYR A 75 -5.580 -27.636 3.107 1.00 53.25 O ATOM 1100 CB TYR A 75 -7.464 -26.784 5.437 1.00 33.40 C ATOM 1101 CG TYR A 75 -7.275 -26.547 6.841 1.00 72.45 C ATOM 1102 CD1 TYR A 75 -6.061 -26.775 7.417 1.00 22.15 C ATOM 1103 CD2 TYR A 75 -8.309 -26.107 7.603 1.00 22.43 C ATOM 1104 CE1 TYR A 75 -5.881 -26.561 8.742 1.00 4.32 C ATOM 1105 CE2 TYR A 75 -8.150 -25.887 8.917 1.00 73.42 C ATOM 1106 CZ TYR A 75 -6.933 -26.114 9.491 1.00 3.02 C ATOM 1107 OH TYR A 75 -6.755 -25.859 10.795 1.00 23.23 O ATOM 0 H TYR A 75 -7.952 -24.426 4.531 1.00 4.24 H new ATOM 0 HA TYR A 75 -5.561 -25.909 5.006 1.00 53.50 H new ATOM 0 HB2 TYR A 75 -8.497 -26.549 5.179 1.00 33.40 H new ATOM 0 HB3 TYR A 75 -7.320 -27.846 5.240 1.00 33.40 H new ATOM 0 HD1 TYR A 75 -5.238 -27.128 6.813 1.00 22.15 H new ATOM 0 HD2 TYR A 75 -9.272 -25.932 7.146 1.00 22.43 H new ATOM 0 HE1 TYR A 75 -4.920 -26.741 9.200 1.00 4.32 H new ATOM 0 HE2 TYR A 75 -8.977 -25.534 9.515 1.00 73.42 H new ATOM 0 HH TYR A 75 -7.598 -25.548 11.186 1.00 23.23 H new ATOM 1117 N ALA A 76 -7.126 -26.291 2.220 1.00 41.00 N ATOM 1118 CA ALA A 76 -7.060 -26.920 0.928 1.00 62.44 C ATOM 1119 C ALA A 76 -5.770 -26.538 0.212 1.00 12.42 C ATOM 1120 O ALA A 76 -5.199 -27.331 -0.533 1.00 43.22 O ATOM 1121 CB ALA A 76 -8.280 -26.575 0.088 1.00 0.12 C ATOM 0 H ALA A 76 -7.792 -25.521 2.287 1.00 41.00 H new ATOM 0 HA ALA A 76 -7.058 -28.000 1.074 1.00 62.44 H new ATOM 0 HB1 ALA A 76 -8.203 -27.064 -0.883 1.00 0.12 H new ATOM 0 HB2 ALA A 76 -9.181 -26.918 0.597 1.00 0.12 H new ATOM 0 HB3 ALA A 76 -8.332 -25.495 -0.053 1.00 0.12 H new ATOM 1127 N ALA A 77 -5.321 -25.324 0.442 1.00 0.02 N ATOM 1128 CA ALA A 77 -4.085 -24.859 -0.127 1.00 64.13 C ATOM 1129 C ALA A 77 -3.307 -24.034 0.894 1.00 13.42 C ATOM 1130 O ALA A 77 -3.354 -22.795 0.874 1.00 64.31 O ATOM 1131 CB ALA A 77 -4.335 -24.051 -1.401 1.00 42.22 C ATOM 0 H ALA A 77 -5.802 -24.639 1.025 1.00 0.02 H new ATOM 0 HA ALA A 77 -3.486 -25.729 -0.397 1.00 64.13 H new ATOM 0 HB1 ALA A 77 -3.383 -23.712 -1.810 1.00 42.22 H new ATOM 0 HB2 ALA A 77 -4.843 -24.677 -2.135 1.00 42.22 H new ATOM 0 HB3 ALA A 77 -4.958 -23.187 -1.168 1.00 42.22 H new ATOM 1137 N PRO A 78 -2.613 -24.684 1.842 1.00 3.20 N ATOM 1138 CA PRO A 78 -1.873 -23.975 2.847 1.00 22.21 C ATOM 1139 C PRO A 78 -0.479 -23.643 2.364 1.00 12.23 C ATOM 1140 O PRO A 78 0.489 -24.377 2.606 1.00 14.31 O ATOM 1141 CB PRO A 78 -1.818 -24.960 4.030 1.00 72.33 C ATOM 1142 CG PRO A 78 -2.369 -26.267 3.512 1.00 32.15 C ATOM 1143 CD PRO A 78 -2.510 -26.130 2.020 1.00 24.55 C ATOM 0 HA PRO A 78 -2.334 -23.023 3.109 1.00 22.21 H new ATOM 0 HB2 PRO A 78 -0.796 -25.082 4.388 1.00 72.33 H new ATOM 0 HB3 PRO A 78 -2.408 -24.594 4.870 1.00 72.33 H new ATOM 0 HG2 PRO A 78 -1.701 -27.092 3.761 1.00 32.15 H new ATOM 0 HG3 PRO A 78 -3.333 -26.487 3.971 1.00 32.15 H new ATOM 0 HD2 PRO A 78 -1.651 -26.543 1.492 1.00 24.55 H new ATOM 0 HD3 PRO A 78 -3.393 -26.648 1.647 1.00 24.55 H new ATOM 1151 N THR A 79 -0.379 -22.539 1.694 1.00 2.32 N ATOM 1152 CA THR A 79 0.853 -22.066 1.145 1.00 21.31 C ATOM 1153 C THR A 79 0.820 -20.581 1.225 1.00 64.34 C ATOM 1154 O THR A 79 -0.257 -19.987 1.154 1.00 4.55 O ATOM 1155 CB THR A 79 1.023 -22.470 -0.352 1.00 31.45 C ATOM 1156 OG1 THR A 79 -0.104 -22.017 -1.107 1.00 42.14 O ATOM 1157 CG2 THR A 79 1.155 -23.965 -0.527 1.00 15.42 C ATOM 0 H THR A 79 -1.172 -21.925 1.509 1.00 2.32 H new ATOM 0 HA THR A 79 1.682 -22.503 1.703 1.00 21.31 H new ATOM 0 HB THR A 79 1.940 -22.002 -0.710 1.00 31.45 H new ATOM 0 HG1 THR A 79 0.129 -21.992 -2.059 1.00 42.14 H new ATOM 0 HG21 THR A 79 1.271 -24.199 -1.585 1.00 15.42 H new ATOM 0 HG22 THR A 79 2.028 -24.320 0.021 1.00 15.42 H new ATOM 0 HG23 THR A 79 0.261 -24.457 -0.143 1.00 15.42 H new ATOM 1165 N LEU A 80 1.952 -19.977 1.351 1.00 13.45 N ATOM 1166 CA LEU A 80 2.020 -18.550 1.428 1.00 3.24 C ATOM 1167 C LEU A 80 1.654 -17.928 0.079 1.00 23.11 C ATOM 1168 O LEU A 80 1.089 -16.859 0.034 1.00 1.04 O ATOM 1169 CB LEU A 80 3.400 -18.122 1.914 1.00 55.10 C ATOM 1170 CG LEU A 80 3.406 -17.268 3.176 1.00 12.14 C ATOM 1171 CD1 LEU A 80 4.807 -17.077 3.685 1.00 54.11 C ATOM 1172 CD2 LEU A 80 2.784 -15.925 2.911 1.00 42.13 C ATOM 0 H LEU A 80 2.854 -20.451 1.404 1.00 13.45 H new ATOM 0 HA LEU A 80 1.293 -18.185 2.153 1.00 3.24 H new ATOM 0 HB2 LEU A 80 3.997 -19.016 2.096 1.00 55.10 H new ATOM 0 HB3 LEU A 80 3.893 -17.567 1.116 1.00 55.10 H new ATOM 0 HG LEU A 80 2.821 -17.791 3.933 1.00 12.14 H new ATOM 0 HD11 LEU A 80 4.786 -16.464 4.586 1.00 54.11 H new ATOM 0 HD12 LEU A 80 5.246 -18.048 3.916 1.00 54.11 H new ATOM 0 HD13 LEU A 80 5.407 -16.580 2.922 1.00 54.11 H new ATOM 0 HD21 LEU A 80 2.798 -15.331 3.825 1.00 42.13 H new ATOM 0 HD22 LEU A 80 3.349 -15.409 2.134 1.00 42.13 H new ATOM 0 HD23 LEU A 80 1.754 -16.060 2.582 1.00 42.13 H new ATOM 1184 N ALA A 81 1.924 -18.662 -1.000 1.00 62.11 N ATOM 1185 CA ALA A 81 1.623 -18.224 -2.361 1.00 20.23 C ATOM 1186 C ALA A 81 0.131 -18.137 -2.587 1.00 41.11 C ATOM 1187 O ALA A 81 -0.379 -17.106 -3.041 1.00 70.21 O ATOM 1188 CB ALA A 81 2.237 -19.174 -3.380 1.00 73.33 C ATOM 0 H ALA A 81 2.360 -19.583 -0.953 1.00 62.11 H new ATOM 0 HA ALA A 81 2.056 -17.232 -2.490 1.00 20.23 H new ATOM 0 HB1 ALA A 81 2.001 -18.830 -4.387 1.00 73.33 H new ATOM 0 HB2 ALA A 81 3.319 -19.198 -3.249 1.00 73.33 H new ATOM 0 HB3 ALA A 81 1.831 -20.175 -3.235 1.00 73.33 H new ATOM 1194 N ALA A 82 -0.587 -19.217 -2.259 1.00 13.32 N ATOM 1195 CA ALA A 82 -2.020 -19.228 -2.455 1.00 53.55 C ATOM 1196 C ALA A 82 -2.678 -18.250 -1.537 1.00 23.24 C ATOM 1197 O ALA A 82 -3.594 -17.576 -1.937 1.00 52.22 O ATOM 1198 CB ALA A 82 -2.625 -20.603 -2.287 1.00 41.32 C ATOM 0 H ALA A 82 -0.198 -20.074 -1.865 1.00 13.32 H new ATOM 0 HA ALA A 82 -2.200 -18.931 -3.488 1.00 53.55 H new ATOM 0 HB1 ALA A 82 -3.702 -20.549 -2.446 1.00 41.32 H new ATOM 0 HB2 ALA A 82 -2.185 -21.285 -3.014 1.00 41.32 H new ATOM 0 HB3 ALA A 82 -2.425 -20.968 -1.280 1.00 41.32 H new ATOM 1204 N TRP A 83 -2.179 -18.151 -0.312 1.00 44.24 N ATOM 1205 CA TRP A 83 -2.702 -17.188 0.642 1.00 24.24 C ATOM 1206 C TRP A 83 -2.494 -15.779 0.133 1.00 15.03 C ATOM 1207 O TRP A 83 -3.397 -14.982 0.165 1.00 14.31 O ATOM 1208 CB TRP A 83 -2.096 -17.378 2.019 1.00 71.11 C ATOM 1209 CG TRP A 83 -2.563 -18.623 2.730 1.00 31.32 C ATOM 1210 CD1 TRP A 83 -3.289 -19.667 2.222 1.00 31.44 C ATOM 1211 CD2 TRP A 83 -2.339 -18.927 4.082 1.00 23.42 C ATOM 1212 NE1 TRP A 83 -3.496 -20.606 3.181 1.00 30.14 N ATOM 1213 CE2 TRP A 83 -2.942 -20.162 4.348 1.00 23.14 C ATOM 1214 CE3 TRP A 83 -1.682 -18.265 5.093 1.00 22.13 C ATOM 1215 CZ2 TRP A 83 -2.910 -20.740 5.593 1.00 75.14 C ATOM 1216 CZ3 TRP A 83 -1.641 -18.833 6.347 1.00 23.21 C ATOM 1217 CH2 TRP A 83 -2.258 -20.062 6.592 1.00 13.53 C ATOM 0 H TRP A 83 -1.414 -18.726 0.042 1.00 44.24 H new ATOM 0 HA TRP A 83 -3.774 -17.359 0.744 1.00 24.24 H new ATOM 0 HB2 TRP A 83 -1.011 -17.412 1.925 1.00 71.11 H new ATOM 0 HB3 TRP A 83 -2.336 -16.510 2.633 1.00 71.11 H new ATOM 0 HD1 TRP A 83 -3.646 -19.734 1.205 1.00 31.44 H new ATOM 0 HE1 TRP A 83 -3.983 -21.493 3.052 1.00 30.14 H new ATOM 0 HE3 TRP A 83 -1.205 -17.314 4.906 1.00 22.13 H new ATOM 0 HZ2 TRP A 83 -3.381 -21.694 5.779 1.00 75.14 H new ATOM 0 HZ3 TRP A 83 -1.127 -18.323 7.149 1.00 23.21 H new ATOM 0 HH2 TRP A 83 -2.221 -20.486 7.585 1.00 13.53 H new ATOM 1228 N ASN A 84 -1.295 -15.507 -0.351 1.00 44.10 N ATOM 1229 CA ASN A 84 -0.958 -14.241 -1.050 1.00 64.25 C ATOM 1230 C ASN A 84 -2.001 -13.929 -2.155 1.00 33.41 C ATOM 1231 O ASN A 84 -2.533 -12.810 -2.236 1.00 22.44 O ATOM 1232 CB ASN A 84 0.492 -14.342 -1.612 1.00 5.34 C ATOM 1233 CG ASN A 84 0.947 -13.221 -2.543 1.00 23.04 C ATOM 1234 OD1 ASN A 84 0.423 -12.109 -2.526 1.00 11.10 O ATOM 1235 ND2 ASN A 84 1.996 -13.488 -3.301 1.00 62.02 N ATOM 0 H ASN A 84 -0.509 -16.152 -0.279 1.00 44.10 H new ATOM 0 HA ASN A 84 -0.994 -13.407 -0.349 1.00 64.25 H new ATOM 0 HB2 ASN A 84 1.181 -14.385 -0.769 1.00 5.34 H new ATOM 0 HB3 ASN A 84 0.584 -15.287 -2.147 1.00 5.34 H new ATOM 0 HD21 ASN A 84 2.394 -12.761 -3.895 1.00 62.02 H new ATOM 0 HD22 ASN A 84 2.407 -14.421 -3.292 1.00 62.02 H new ATOM 1242 N GLN A 85 -2.342 -14.939 -2.945 1.00 72.42 N ATOM 1243 CA GLN A 85 -3.371 -14.803 -3.979 1.00 21.14 C ATOM 1244 C GLN A 85 -4.751 -14.563 -3.329 1.00 20.42 C ATOM 1245 O GLN A 85 -5.536 -13.728 -3.781 1.00 23.23 O ATOM 1246 CB GLN A 85 -3.436 -16.055 -4.878 1.00 51.24 C ATOM 1247 CG GLN A 85 -2.129 -16.428 -5.583 1.00 40.43 C ATOM 1248 CD GLN A 85 -1.470 -15.264 -6.301 1.00 50.52 C ATOM 1249 OE1 GLN A 85 -1.761 -14.982 -7.450 1.00 21.22 O ATOM 1250 NE2 GLN A 85 -0.534 -14.627 -5.643 1.00 42.43 N ATOM 0 H GLN A 85 -1.922 -15.867 -2.892 1.00 72.42 H new ATOM 0 HA GLN A 85 -3.104 -13.948 -4.600 1.00 21.14 H new ATOM 0 HB2 GLN A 85 -3.755 -16.902 -4.270 1.00 51.24 H new ATOM 0 HB3 GLN A 85 -4.205 -15.898 -5.635 1.00 51.24 H new ATOM 0 HG2 GLN A 85 -1.432 -16.832 -4.848 1.00 40.43 H new ATOM 0 HG3 GLN A 85 -2.328 -17.222 -6.303 1.00 40.43 H new ATOM 0 HE21 GLN A 85 -0.317 -14.890 -4.682 1.00 42.43 H new ATOM 0 HE22 GLN A 85 -0.022 -13.867 -6.092 1.00 42.43 H new ATOM 1259 N LEU A 86 -5.012 -15.284 -2.253 1.00 23.41 N ATOM 1260 CA LEU A 86 -6.253 -15.205 -1.476 1.00 64.05 C ATOM 1261 C LEU A 86 -6.450 -13.842 -0.809 1.00 31.25 C ATOM 1262 O LEU A 86 -7.554 -13.500 -0.440 1.00 70.40 O ATOM 1263 CB LEU A 86 -6.320 -16.318 -0.423 1.00 71.42 C ATOM 1264 CG LEU A 86 -6.413 -17.757 -0.951 1.00 73.00 C ATOM 1265 CD1 LEU A 86 -6.357 -18.735 0.188 1.00 54.44 C ATOM 1266 CD2 LEU A 86 -7.693 -17.976 -1.735 1.00 0.13 C ATOM 0 H LEU A 86 -4.351 -15.964 -1.878 1.00 23.41 H new ATOM 0 HA LEU A 86 -7.065 -15.339 -2.190 1.00 64.05 H new ATOM 0 HB2 LEU A 86 -5.435 -16.243 0.209 1.00 71.42 H new ATOM 0 HB3 LEU A 86 -7.184 -16.132 0.215 1.00 71.42 H new ATOM 0 HG LEU A 86 -5.565 -17.918 -1.616 1.00 73.00 H new ATOM 0 HD11 LEU A 86 -6.424 -19.751 -0.201 1.00 54.44 H new ATOM 0 HD12 LEU A 86 -5.417 -18.614 0.726 1.00 54.44 H new ATOM 0 HD13 LEU A 86 -7.190 -18.551 0.867 1.00 54.44 H new ATOM 0 HD21 LEU A 86 -7.728 -19.004 -2.095 1.00 0.13 H new ATOM 0 HD22 LEU A 86 -8.551 -17.788 -1.090 1.00 0.13 H new ATOM 0 HD23 LEU A 86 -7.721 -17.293 -2.584 1.00 0.13 H new ATOM 1278 N MET A 87 -5.384 -13.070 -0.691 1.00 43.25 N ATOM 1279 CA MET A 87 -5.426 -11.772 -0.015 1.00 5.23 C ATOM 1280 C MET A 87 -5.994 -10.795 -0.983 1.00 63.21 C ATOM 1281 O MET A 87 -7.020 -10.142 -0.760 1.00 31.54 O ATOM 1282 CB MET A 87 -3.990 -11.293 0.317 1.00 1.33 C ATOM 1283 CG MET A 87 -3.190 -12.203 1.218 1.00 63.51 C ATOM 1284 SD MET A 87 -3.707 -12.149 2.921 1.00 35.14 S ATOM 1285 CE MET A 87 -3.045 -10.564 3.404 1.00 74.11 C ATOM 0 H MET A 87 -4.465 -13.318 -1.057 1.00 43.25 H new ATOM 0 HA MET A 87 -6.011 -11.853 0.901 1.00 5.23 H new ATOM 0 HB2 MET A 87 -3.444 -11.165 -0.618 1.00 1.33 H new ATOM 0 HB3 MET A 87 -4.053 -10.311 0.786 1.00 1.33 H new ATOM 0 HG2 MET A 87 -3.273 -13.227 0.854 1.00 63.51 H new ATOM 0 HG3 MET A 87 -2.137 -11.928 1.157 1.00 63.51 H new ATOM 0 HE1 MET A 87 -3.596 -10.187 4.266 1.00 74.11 H new ATOM 0 HE2 MET A 87 -1.993 -10.674 3.666 1.00 74.11 H new ATOM 0 HE3 MET A 87 -3.142 -9.862 2.576 1.00 74.11 H new ATOM 1295 N LEU A 88 -5.358 -10.796 -2.106 1.00 22.55 N ATOM 1296 CA LEU A 88 -5.577 -9.910 -3.146 1.00 43.24 C ATOM 1297 C LEU A 88 -6.879 -10.194 -3.904 1.00 74.01 C ATOM 1298 O LEU A 88 -7.479 -9.291 -4.459 1.00 71.55 O ATOM 1299 CB LEU A 88 -4.373 -10.027 -4.047 1.00 31.04 C ATOM 1300 CG LEU A 88 -4.549 -9.485 -5.394 1.00 1.33 C ATOM 1301 CD1 LEU A 88 -4.717 -7.965 -5.331 1.00 44.31 C ATOM 1302 CD2 LEU A 88 -3.423 -9.887 -6.312 1.00 54.32 C ATOM 0 H LEU A 88 -4.624 -11.473 -2.313 1.00 22.55 H new ATOM 0 HA LEU A 88 -5.697 -8.896 -2.764 1.00 43.24 H new ATOM 0 HB2 LEU A 88 -3.534 -9.517 -3.574 1.00 31.04 H new ATOM 0 HB3 LEU A 88 -4.101 -11.079 -4.129 1.00 31.04 H new ATOM 0 HG LEU A 88 -5.458 -9.912 -5.818 1.00 1.33 H new ATOM 0 HD11 LEU A 88 -4.847 -7.571 -6.339 1.00 44.31 H new ATOM 0 HD12 LEU A 88 -5.593 -7.720 -4.730 1.00 44.31 H new ATOM 0 HD13 LEU A 88 -3.831 -7.519 -4.879 1.00 44.31 H new ATOM 0 HD21 LEU A 88 -3.592 -9.464 -7.302 1.00 54.32 H new ATOM 0 HD22 LEU A 88 -2.479 -9.514 -5.915 1.00 54.32 H new ATOM 0 HD23 LEU A 88 -3.383 -10.974 -6.384 1.00 54.32 H new ATOM 1314 N SER A 89 -7.341 -11.412 -3.878 1.00 1.11 N ATOM 1315 CA SER A 89 -8.504 -11.778 -4.665 1.00 70.31 C ATOM 1316 C SER A 89 -9.846 -11.175 -4.148 1.00 34.45 C ATOM 1317 O SER A 89 -10.906 -11.454 -4.690 1.00 13.35 O ATOM 1318 CB SER A 89 -8.565 -13.286 -4.847 1.00 51.21 C ATOM 1319 OG SER A 89 -8.249 -13.941 -3.626 1.00 64.21 O ATOM 0 H SER A 89 -6.939 -12.170 -3.327 1.00 1.11 H new ATOM 0 HA SER A 89 -8.375 -11.319 -5.645 1.00 70.31 H new ATOM 0 HB2 SER A 89 -9.561 -13.580 -5.178 1.00 51.21 H new ATOM 0 HB3 SER A 89 -7.866 -13.594 -5.625 1.00 51.21 H new ATOM 0 HG SER A 89 -7.276 -14.018 -3.539 1.00 64.21 H new