USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -77:sc= 1.01 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.927 USER MOD Set 2.1: A 7 THR OG1 : rot 123:sc= 1.4 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.23 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.601 (180deg=-0.232!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.00224 USER MOD Single : A 20 SER OG : rot 180:sc= 0.036 USER MOD Single : A 22 THR OG1 : rot 98:sc= 1.32 USER MOD Single : A 25 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= 0.796 (180deg=-0.0867) USER MOD Single : A 31 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.16) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 41 GLN : amide:sc= 0.657 K(o=0.66,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.229 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.700 51.661 19.724 1.00 0.00 N ATOM 2 CA MET A 1 33.115 51.484 21.123 1.00 0.00 C ATOM 3 C MET A 1 34.561 51.956 21.288 1.00 0.00 C ATOM 4 O MET A 1 35.401 51.659 20.440 1.00 0.00 O ATOM 5 CB MET A 1 32.956 50.033 21.569 1.00 0.00 C ATOM 6 CG MET A 1 33.394 49.786 23.010 1.00 0.00 C ATOM 7 SD MET A 1 33.056 48.120 23.633 1.00 0.00 S ATOM 8 CE MET A 1 34.284 47.140 22.736 1.00 0.00 C ATOM 0 H1 MET A 1 31.662 51.654 19.666 1.00 0.00 H new ATOM 0 H2 MET A 1 33.061 52.569 19.367 1.00 0.00 H new ATOM 0 H3 MET A 1 33.084 50.885 19.147 1.00 0.00 H new ATOM 0 HA MET A 1 32.469 52.087 21.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.912 49.740 21.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.537 49.392 20.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.464 49.977 23.087 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.894 50.508 23.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.192 46.092 23.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.117 47.240 21.664 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.284 47.496 22.982 1.00 0.00 H new ATOM 20 N GLN A 2 34.867 52.646 22.383 1.00 0.00 N ATOM 21 CA GLN A 2 36.170 53.210 22.675 1.00 0.00 C ATOM 22 C GLN A 2 36.840 52.423 23.803 1.00 0.00 C ATOM 23 O GLN A 2 36.195 52.169 24.818 1.00 0.00 O ATOM 24 CB GLN A 2 35.966 54.683 23.017 1.00 0.00 C ATOM 25 CG GLN A 2 37.266 55.477 23.114 1.00 0.00 C ATOM 26 CD GLN A 2 36.983 56.926 23.514 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.987 57.283 24.690 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.660 57.808 22.571 1.00 0.00 N ATOM 0 H GLN A 2 34.183 52.832 23.117 1.00 0.00 H new ATOM 0 HA GLN A 2 36.840 53.140 21.818 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.329 55.138 22.259 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.434 54.756 23.966 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.927 55.014 23.847 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.785 55.453 22.156 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.652 57.527 21.591 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.420 58.765 22.829 1.00 0.00 H new ATOM 37 N ILE A 3 38.112 52.068 23.644 1.00 0.00 N ATOM 38 CA ILE A 3 38.915 51.398 24.647 1.00 0.00 C ATOM 39 C ILE A 3 40.317 52.007 24.738 1.00 0.00 C ATOM 40 O ILE A 3 40.775 52.657 23.801 1.00 0.00 O ATOM 41 CB ILE A 3 38.980 49.888 24.440 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.643 49.491 23.125 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.599 49.258 24.593 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.908 47.996 22.974 1.00 0.00 C ATOM 0 H ILE A 3 38.624 52.248 22.781 1.00 0.00 H new ATOM 0 HA ILE A 3 38.413 51.559 25.601 1.00 0.00 H new ATOM 0 HB ILE A 3 39.623 49.491 25.225 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.010 49.820 22.300 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.589 50.025 23.034 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.671 48.181 24.441 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.217 49.458 25.594 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.921 49.684 23.854 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.381 47.806 22.010 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.568 47.661 23.774 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.965 47.452 23.029 1.00 0.00 H new ATOM 56 N PHE A 4 41.009 51.775 25.850 1.00 0.00 N ATOM 57 CA PHE A 4 42.342 52.288 26.100 1.00 0.00 C ATOM 58 C PHE A 4 43.366 51.159 26.234 1.00 0.00 C ATOM 59 O PHE A 4 43.050 50.100 26.771 1.00 0.00 O ATOM 60 CB PHE A 4 42.330 53.169 27.346 1.00 0.00 C ATOM 61 CG PHE A 4 41.317 54.287 27.323 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.478 55.362 26.440 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.202 54.246 28.168 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.521 56.382 26.391 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.250 55.272 28.129 1.00 0.00 C ATOM 66 CZ PHE A 4 39.405 56.339 27.236 1.00 0.00 C ATOM 0 H PHE A 4 40.645 51.211 26.618 1.00 0.00 H new ATOM 0 HA PHE A 4 42.644 52.890 25.243 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.137 52.541 28.216 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.322 53.600 27.478 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.343 55.404 25.795 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.076 53.420 28.852 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.643 57.203 25.701 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.395 55.240 28.788 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.667 57.126 27.199 1.00 0.00 H new ATOM 76 N VAL A 5 44.604 51.374 25.798 1.00 0.00 N ATOM 77 CA VAL A 5 45.696 50.430 25.924 1.00 0.00 C ATOM 78 C VAL A 5 46.936 51.116 26.503 1.00 0.00 C ATOM 79 O VAL A 5 47.449 52.067 25.918 1.00 0.00 O ATOM 80 CB VAL A 5 46.032 49.743 24.603 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.043 48.622 24.818 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.805 49.133 23.931 1.00 0.00 C ATOM 0 H VAL A 5 44.877 52.240 25.333 1.00 0.00 H new ATOM 0 HA VAL A 5 45.365 49.652 26.612 1.00 0.00 H new ATOM 0 HB VAL A 5 46.442 50.521 23.960 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.268 48.147 23.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.958 49.034 25.242 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.627 47.883 25.502 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.101 48.658 22.996 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.361 48.389 24.592 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.076 49.917 23.725 1.00 0.00 H new ATOM 92 N LYS A 6 47.434 50.630 27.637 1.00 0.00 N ATOM 93 CA LYS A 6 48.587 51.154 28.340 1.00 0.00 C ATOM 94 C LYS A 6 49.878 50.394 28.029 1.00 0.00 C ATOM 95 O LYS A 6 49.831 49.211 27.698 1.00 0.00 O ATOM 96 CB LYS A 6 48.310 51.189 29.841 1.00 0.00 C ATOM 97 CG LYS A 6 47.285 52.266 30.185 1.00 0.00 C ATOM 98 CD LYS A 6 47.078 52.334 31.695 1.00 0.00 C ATOM 99 CE LYS A 6 46.133 53.474 32.067 1.00 0.00 C ATOM 100 NZ LYS A 6 45.818 53.424 33.502 1.00 0.00 N ATOM 0 H LYS A 6 47.022 49.824 28.107 1.00 0.00 H new ATOM 0 HA LYS A 6 48.750 52.170 27.982 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.944 50.216 30.169 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.238 51.379 30.381 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.624 53.233 29.813 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.338 52.049 29.690 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.671 51.388 32.053 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.038 52.476 32.191 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.592 54.432 31.821 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.216 53.401 31.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.174 54.204 33.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.361 52.517 33.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.695 53.515 34.053 1.00 0.00 H new ATOM 114 N THR A 7 51.018 51.065 28.162 1.00 0.00 N ATOM 115 CA THR A 7 52.338 50.510 27.941 1.00 0.00 C ATOM 116 C THR A 7 53.227 50.621 29.181 1.00 0.00 C ATOM 117 O THR A 7 52.996 51.459 30.050 1.00 0.00 O ATOM 118 CB THR A 7 53.046 51.172 26.762 1.00 0.00 C ATOM 119 OG1 THR A 7 53.400 52.501 27.067 1.00 0.00 O ATOM 120 CG2 THR A 7 52.211 51.210 25.484 1.00 0.00 C ATOM 0 H THR A 7 51.042 52.047 28.437 1.00 0.00 H new ATOM 0 HA THR A 7 52.179 49.456 27.715 1.00 0.00 H new ATOM 0 HB THR A 7 53.926 50.553 26.586 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.366 52.617 26.949 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.781 51.695 24.691 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.962 50.193 25.182 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.293 51.770 25.665 1.00 0.00 H new ATOM 128 N LEU A 8 54.287 49.822 29.259 1.00 0.00 N ATOM 129 CA LEU A 8 55.307 49.949 30.281 1.00 0.00 C ATOM 130 C LEU A 8 56.210 51.165 30.059 1.00 0.00 C ATOM 131 O LEU A 8 56.899 51.580 30.988 1.00 0.00 O ATOM 132 CB LEU A 8 56.092 48.650 30.434 1.00 0.00 C ATOM 133 CG LEU A 8 55.304 47.466 30.986 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.217 46.252 31.134 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.708 47.738 32.365 1.00 0.00 C ATOM 0 H LEU A 8 54.459 49.060 28.603 1.00 0.00 H new ATOM 0 HA LEU A 8 54.800 50.132 31.229 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.495 48.373 29.460 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.943 48.835 31.090 1.00 0.00 H new ATOM 0 HG LEU A 8 54.497 47.289 30.275 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.645 45.412 31.529 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.628 45.985 30.160 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.031 46.490 31.819 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.160 46.859 32.704 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.509 47.960 33.070 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.029 48.589 32.307 1.00 0.00 H new ATOM 147 N THR A 9 56.158 51.793 28.887 1.00 0.00 N ATOM 148 CA THR A 9 56.676 53.119 28.621 1.00 0.00 C ATOM 149 C THR A 9 55.756 54.251 29.082 1.00 0.00 C ATOM 150 O THR A 9 56.066 55.421 28.869 1.00 0.00 O ATOM 151 CB THR A 9 57.046 53.286 27.150 1.00 0.00 C ATOM 152 OG1 THR A 9 56.011 52.818 26.315 1.00 0.00 O ATOM 153 CG2 THR A 9 58.305 52.502 26.791 1.00 0.00 C ATOM 0 H THR A 9 55.733 51.366 28.064 1.00 0.00 H new ATOM 0 HA THR A 9 57.580 53.202 29.225 1.00 0.00 H new ATOM 0 HB THR A 9 57.215 54.352 26.998 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.269 52.936 25.377 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.535 52.647 25.735 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.139 52.856 27.396 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.141 51.442 26.985 1.00 0.00 H new ATOM 161 N GLY A 10 54.637 53.946 29.733 1.00 0.00 N ATOM 162 CA GLY A 10 53.767 54.897 30.396 1.00 0.00 C ATOM 163 C GLY A 10 52.760 55.627 29.506 1.00 0.00 C ATOM 164 O GLY A 10 52.124 56.560 29.992 1.00 0.00 O ATOM 0 H GLY A 10 54.302 52.986 29.813 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.216 54.371 31.176 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.389 55.642 30.892 1.00 0.00 H new ATOM 168 N LYS A 11 52.576 55.225 28.252 1.00 0.00 N ATOM 169 CA LYS A 11 51.569 55.790 27.376 1.00 0.00 C ATOM 170 C LYS A 11 50.182 55.207 27.650 1.00 0.00 C ATOM 171 O LYS A 11 50.067 54.157 28.278 1.00 0.00 O ATOM 172 CB LYS A 11 51.960 55.609 25.912 1.00 0.00 C ATOM 173 CG LYS A 11 53.200 56.410 25.525 1.00 0.00 C ATOM 174 CD LYS A 11 53.392 56.511 24.014 1.00 0.00 C ATOM 175 CE LYS A 11 52.316 57.380 23.368 1.00 0.00 C ATOM 176 NZ LYS A 11 52.565 57.598 21.935 1.00 0.00 N ATOM 0 H LYS A 11 53.131 54.489 27.816 1.00 0.00 H new ATOM 0 HA LYS A 11 51.516 56.858 27.587 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.141 54.552 25.718 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.126 55.911 25.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.124 57.413 25.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.080 55.945 25.968 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.376 56.929 23.799 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.366 55.513 23.576 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.343 56.907 23.498 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.274 58.342 23.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.660 57.736 21.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.159 58.443 21.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.053 56.770 21.538 1.00 0.00 H new ATOM 190 N THR A 12 49.146 55.859 27.130 1.00 0.00 N ATOM 191 CA THR A 12 47.791 55.354 27.041 1.00 0.00 C ATOM 192 C THR A 12 47.226 55.648 25.649 1.00 0.00 C ATOM 193 O THR A 12 46.843 56.774 25.337 1.00 0.00 O ATOM 194 CB THR A 12 46.880 55.942 28.115 1.00 0.00 C ATOM 195 OG1 THR A 12 47.479 55.839 29.387 1.00 0.00 O ATOM 196 CG2 THR A 12 45.545 55.206 28.180 1.00 0.00 C ATOM 0 H THR A 12 49.239 56.798 26.743 1.00 0.00 H new ATOM 0 HA THR A 12 47.827 54.278 27.209 1.00 0.00 H new ATOM 0 HB THR A 12 46.717 56.986 27.847 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.881 56.222 30.062 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.922 55.651 28.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.039 55.285 27.218 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.720 54.156 28.413 1.00 0.00 H new ATOM 204 N ILE A 13 47.176 54.620 24.807 1.00 0.00 N ATOM 205 CA ILE A 13 46.676 54.639 23.447 1.00 0.00 C ATOM 206 C ILE A 13 45.148 54.573 23.480 1.00 0.00 C ATOM 207 O ILE A 13 44.603 53.771 24.237 1.00 0.00 O ATOM 208 CB ILE A 13 47.247 53.468 22.652 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.760 53.317 22.777 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.862 53.571 21.179 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.295 51.984 22.261 1.00 0.00 C ATOM 0 H ILE A 13 47.506 53.694 25.080 1.00 0.00 H new ATOM 0 HA ILE A 13 46.989 55.560 22.956 1.00 0.00 H new ATOM 0 HB ILE A 13 46.804 52.575 23.092 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.242 54.127 22.230 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.041 53.429 23.824 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.281 52.725 20.634 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.776 53.562 21.085 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.254 54.500 20.765 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.378 51.954 22.385 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.843 51.168 22.824 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.047 51.877 21.205 1.00 0.00 H new ATOM 223 N THR A 14 44.451 55.342 22.649 1.00 0.00 N ATOM 224 CA THR A 14 43.014 55.267 22.487 1.00 0.00 C ATOM 225 C THR A 14 42.667 54.553 21.180 1.00 0.00 C ATOM 226 O THR A 14 43.179 54.946 20.134 1.00 0.00 O ATOM 227 CB THR A 14 42.376 56.654 22.484 1.00 0.00 C ATOM 228 OG1 THR A 14 42.767 57.387 23.622 1.00 0.00 O ATOM 229 CG2 THR A 14 40.850 56.622 22.498 1.00 0.00 C ATOM 0 H THR A 14 44.886 56.050 22.058 1.00 0.00 H new ATOM 0 HA THR A 14 42.619 54.706 23.334 1.00 0.00 H new ATOM 0 HB THR A 14 42.720 57.116 21.559 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.202 57.136 24.383 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.465 57.642 22.495 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.489 56.095 21.615 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.505 56.106 23.394 1.00 0.00 H new ATOM 237 N LEU A 15 41.794 53.550 21.228 1.00 0.00 N ATOM 238 CA LEU A 15 41.385 52.757 20.086 1.00 0.00 C ATOM 239 C LEU A 15 39.868 52.756 19.884 1.00 0.00 C ATOM 240 O LEU A 15 39.108 52.829 20.848 1.00 0.00 O ATOM 241 CB LEU A 15 41.899 51.327 20.223 1.00 0.00 C ATOM 242 CG LEU A 15 43.404 51.172 20.430 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.721 49.690 20.602 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.238 51.670 19.253 1.00 0.00 C ATOM 0 H LEU A 15 41.340 53.262 22.095 1.00 0.00 H new ATOM 0 HA LEU A 15 41.826 53.220 19.203 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.387 50.857 21.063 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.617 50.774 19.327 1.00 0.00 H new ATOM 0 HG LEU A 15 43.659 51.771 21.304 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.793 49.562 20.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.185 49.302 21.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.411 49.146 19.710 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.296 51.528 19.471 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.974 51.109 18.357 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.040 52.729 19.089 1.00 0.00 H new ATOM 256 N GLU A 16 39.433 52.628 18.633 1.00 0.00 N ATOM 257 CA GLU A 16 38.046 52.689 18.221 1.00 0.00 C ATOM 258 C GLU A 16 37.614 51.405 17.511 1.00 0.00 C ATOM 259 O GLU A 16 38.026 51.115 16.390 1.00 0.00 O ATOM 260 CB GLU A 16 37.823 53.921 17.349 1.00 0.00 C ATOM 261 CG GLU A 16 38.037 55.232 18.099 1.00 0.00 C ATOM 262 CD GLU A 16 37.973 56.423 17.141 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.880 56.718 16.612 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.016 57.070 16.903 1.00 0.00 O ATOM 0 H GLU A 16 40.069 52.473 17.851 1.00 0.00 H new ATOM 0 HA GLU A 16 37.420 52.777 19.109 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.501 53.883 16.496 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.808 53.898 16.951 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.278 55.341 18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.004 55.215 18.601 1.00 0.00 H new ATOM 271 N VAL A 17 36.780 50.613 18.178 1.00 0.00 N ATOM 272 CA VAL A 17 36.500 49.217 17.906 1.00 0.00 C ATOM 273 C VAL A 17 35.003 48.901 17.944 1.00 0.00 C ATOM 274 O VAL A 17 34.199 49.714 18.394 1.00 0.00 O ATOM 275 CB VAL A 17 37.259 48.330 18.887 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.772 48.451 18.733 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.904 48.629 20.342 1.00 0.00 C ATOM 0 H VAL A 17 36.248 50.959 18.977 1.00 0.00 H new ATOM 0 HA VAL A 17 36.840 49.010 16.892 1.00 0.00 H new ATOM 0 HB VAL A 17 36.949 47.315 18.640 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.264 47.799 19.455 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.060 48.157 17.723 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.074 49.483 18.911 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.472 47.970 20.998 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.148 49.666 20.570 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.838 48.465 20.498 1.00 0.00 H new ATOM 287 N GLU A 18 34.621 47.700 17.518 1.00 0.00 N ATOM 288 CA GLU A 18 33.345 47.068 17.782 1.00 0.00 C ATOM 289 C GLU A 18 33.526 45.850 18.690 1.00 0.00 C ATOM 290 O GLU A 18 34.572 45.210 18.624 1.00 0.00 O ATOM 291 CB GLU A 18 32.679 46.672 16.467 1.00 0.00 C ATOM 292 CG GLU A 18 31.938 47.820 15.787 1.00 0.00 C ATOM 293 CD GLU A 18 30.555 48.071 16.393 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.772 47.108 16.534 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.211 49.236 16.688 1.00 0.00 O ATOM 0 H GLU A 18 35.232 47.115 16.948 1.00 0.00 H new ATOM 0 HA GLU A 18 32.699 47.778 18.299 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.438 46.287 15.786 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.978 45.859 16.655 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.535 48.729 15.865 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.830 47.599 14.725 1.00 0.00 H new ATOM 302 N PRO A 19 32.552 45.447 19.503 1.00 0.00 N ATOM 303 CA PRO A 19 32.681 44.295 20.372 1.00 0.00 C ATOM 304 C PRO A 19 32.845 42.953 19.656 1.00 0.00 C ATOM 305 O PRO A 19 33.164 41.947 20.285 1.00 0.00 O ATOM 306 CB PRO A 19 31.451 44.290 21.275 1.00 0.00 C ATOM 307 CG PRO A 19 30.906 45.713 21.180 1.00 0.00 C ATOM 308 CD PRO A 19 31.300 46.128 19.765 1.00 0.00 C ATOM 0 HA PRO A 19 33.610 44.396 20.933 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.715 43.559 20.940 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.712 44.032 22.301 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.826 45.744 21.325 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.348 46.367 21.932 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.536 45.839 19.043 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.417 47.209 19.690 1.00 0.00 H new ATOM 316 N SER A 20 32.620 42.937 18.346 1.00 0.00 N ATOM 317 CA SER A 20 32.810 41.838 17.420 1.00 0.00 C ATOM 318 C SER A 20 34.162 41.808 16.705 1.00 0.00 C ATOM 319 O SER A 20 34.381 40.905 15.901 1.00 0.00 O ATOM 320 CB SER A 20 31.656 41.821 16.422 1.00 0.00 C ATOM 321 OG SER A 20 31.392 43.107 15.906 1.00 0.00 O ATOM 0 H SER A 20 32.270 43.768 17.869 1.00 0.00 H new ATOM 0 HA SER A 20 32.814 40.930 18.023 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.894 41.142 15.603 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.761 41.433 16.908 1.00 0.00 H new ATOM 0 HG SER A 20 30.649 43.058 15.269 1.00 0.00 H new ATOM 327 N ASP A 21 35.072 42.737 16.984 1.00 0.00 N ATOM 328 CA ASP A 21 36.417 42.727 16.445 1.00 0.00 C ATOM 329 C ASP A 21 37.356 41.802 17.223 1.00 0.00 C ATOM 330 O ASP A 21 37.181 41.620 18.426 1.00 0.00 O ATOM 331 CB ASP A 21 36.983 44.144 16.392 1.00 0.00 C ATOM 332 CG ASP A 21 36.255 45.046 15.393 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.774 44.552 14.350 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.209 46.275 15.616 1.00 0.00 O ATOM 0 H ASP A 21 34.887 43.528 17.601 1.00 0.00 H new ATOM 0 HA ASP A 21 36.350 42.331 15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.923 44.590 17.385 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.039 44.097 16.127 1.00 0.00 H new ATOM 339 N THR A 22 38.358 41.237 16.556 1.00 0.00 N ATOM 340 CA THR A 22 39.333 40.350 17.157 1.00 0.00 C ATOM 341 C THR A 22 40.631 41.044 17.575 1.00 0.00 C ATOM 342 O THR A 22 40.944 42.148 17.137 1.00 0.00 O ATOM 343 CB THR A 22 39.648 39.120 16.311 1.00 0.00 C ATOM 344 OG1 THR A 22 40.525 39.416 15.248 1.00 0.00 O ATOM 345 CG2 THR A 22 38.442 38.391 15.727 1.00 0.00 C ATOM 0 H THR A 22 38.513 41.391 15.560 1.00 0.00 H new ATOM 0 HA THR A 22 38.835 40.011 18.065 1.00 0.00 H new ATOM 0 HB THR A 22 40.114 38.451 17.035 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.442 39.184 15.506 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.782 37.534 15.145 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.798 38.047 16.536 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.884 39.070 15.082 1.00 0.00 H new ATOM 353 N ILE A 23 41.431 40.365 18.392 1.00 0.00 N ATOM 354 CA ILE A 23 42.672 40.869 18.944 1.00 0.00 C ATOM 355 C ILE A 23 43.694 41.263 17.875 1.00 0.00 C ATOM 356 O ILE A 23 44.414 42.241 18.058 1.00 0.00 O ATOM 357 CB ILE A 23 43.225 39.870 19.956 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.232 39.496 21.052 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.525 40.361 20.587 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.622 40.657 21.834 1.00 0.00 C ATOM 0 H ILE A 23 41.220 39.414 18.695 1.00 0.00 H new ATOM 0 HA ILE A 23 42.455 41.802 19.465 1.00 0.00 H new ATOM 0 HB ILE A 23 43.424 38.968 19.378 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.422 38.924 20.600 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.734 38.834 21.758 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.885 39.621 21.301 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.274 40.509 19.809 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.346 41.305 21.102 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.933 40.268 22.584 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.415 41.220 22.326 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.082 41.312 21.150 1.00 0.00 H new ATOM 372 N GLU A 24 43.718 40.606 16.718 1.00 0.00 N ATOM 373 CA GLU A 24 44.590 40.974 15.621 1.00 0.00 C ATOM 374 C GLU A 24 44.316 42.385 15.095 1.00 0.00 C ATOM 375 O GLU A 24 45.251 43.103 14.752 1.00 0.00 O ATOM 376 CB GLU A 24 44.488 39.987 14.461 1.00 0.00 C ATOM 377 CG GLU A 24 44.761 38.532 14.827 1.00 0.00 C ATOM 378 CD GLU A 24 43.463 37.741 15.010 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.676 38.069 15.924 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.223 36.813 14.208 1.00 0.00 O ATOM 0 H GLU A 24 43.127 39.799 16.520 1.00 0.00 H new ATOM 0 HA GLU A 24 45.599 40.949 16.033 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.489 40.057 14.031 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.191 40.289 13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.363 38.067 14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.345 38.491 15.747 1.00 0.00 H new ATOM 387 N ASN A 25 43.057 42.814 15.080 1.00 0.00 N ATOM 388 CA ASN A 25 42.698 44.156 14.668 1.00 0.00 C ATOM 389 C ASN A 25 43.085 45.204 15.715 1.00 0.00 C ATOM 390 O ASN A 25 43.529 46.292 15.358 1.00 0.00 O ATOM 391 CB ASN A 25 41.211 44.198 14.328 1.00 0.00 C ATOM 392 CG ASN A 25 40.851 45.539 13.684 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.251 46.419 14.297 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.252 45.735 12.431 1.00 0.00 N ATOM 0 H ASN A 25 42.262 42.237 15.354 1.00 0.00 H new ATOM 0 HA ASN A 25 43.266 44.413 13.774 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.963 43.382 13.649 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.620 44.051 15.232 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.062 46.624 11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.749 44.996 11.933 1.00 0.00 H new ATOM 401 N VAL A 26 43.032 44.859 16.998 1.00 0.00 N ATOM 402 CA VAL A 26 43.531 45.700 18.067 1.00 0.00 C ATOM 403 C VAL A 26 45.035 45.932 17.898 1.00 0.00 C ATOM 404 O VAL A 26 45.482 47.076 17.915 1.00 0.00 O ATOM 405 CB VAL A 26 43.215 45.121 19.442 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.589 46.080 20.568 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.733 44.795 19.615 1.00 0.00 C ATOM 0 H VAL A 26 42.636 43.977 17.322 1.00 0.00 H new ATOM 0 HA VAL A 26 43.020 46.660 18.004 1.00 0.00 H new ATOM 0 HB VAL A 26 43.809 44.209 19.500 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.346 45.626 21.529 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.658 46.291 20.526 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.031 47.009 20.455 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.564 44.386 20.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.144 45.704 19.491 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.432 44.062 18.866 1.00 0.00 H new ATOM 417 N LYS A 27 45.802 44.879 17.630 1.00 0.00 N ATOM 418 CA LYS A 27 47.222 44.970 17.356 1.00 0.00 C ATOM 419 C LYS A 27 47.530 45.804 16.110 1.00 0.00 C ATOM 420 O LYS A 27 48.477 46.587 16.125 1.00 0.00 O ATOM 421 CB LYS A 27 47.815 43.571 17.217 1.00 0.00 C ATOM 422 CG LYS A 27 47.817 42.761 18.510 1.00 0.00 C ATOM 423 CD LYS A 27 48.238 41.324 18.216 1.00 0.00 C ATOM 424 CE LYS A 27 48.360 40.505 19.498 1.00 0.00 C ATOM 425 NZ LYS A 27 48.562 39.083 19.181 1.00 0.00 N ATOM 0 H LYS A 27 45.442 43.925 17.598 1.00 0.00 H new ATOM 0 HA LYS A 27 47.682 45.483 18.201 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.253 43.024 16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.839 43.657 16.854 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.500 43.210 19.231 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.825 42.774 18.960 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.509 40.858 17.553 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.193 41.324 17.690 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.195 40.873 20.094 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.460 40.625 20.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.643 38.539 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.752 38.732 18.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.433 38.972 18.624 1.00 0.00 H new ATOM 439 N ALA A 28 46.720 45.685 15.063 1.00 0.00 N ATOM 440 CA ALA A 28 46.853 46.468 13.851 1.00 0.00 C ATOM 441 C ALA A 28 46.604 47.959 14.082 1.00 0.00 C ATOM 442 O ALA A 28 47.353 48.797 13.586 1.00 0.00 O ATOM 443 CB ALA A 28 45.894 45.905 12.805 1.00 0.00 C ATOM 0 H ALA A 28 45.940 45.028 15.038 1.00 0.00 H new ATOM 0 HA ALA A 28 47.882 46.391 13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.980 46.482 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.145 44.863 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.872 45.967 13.178 1.00 0.00 H new ATOM 449 N LYS A 29 45.599 48.313 14.879 1.00 0.00 N ATOM 450 CA LYS A 29 45.275 49.687 15.202 1.00 0.00 C ATOM 451 C LYS A 29 46.280 50.334 16.156 1.00 0.00 C ATOM 452 O LYS A 29 46.488 51.543 16.061 1.00 0.00 O ATOM 453 CB LYS A 29 43.837 49.771 15.707 1.00 0.00 C ATOM 454 CG LYS A 29 42.858 49.573 14.553 1.00 0.00 C ATOM 455 CD LYS A 29 41.406 49.805 14.959 1.00 0.00 C ATOM 456 CE LYS A 29 40.565 49.774 13.686 1.00 0.00 C ATOM 457 NZ LYS A 29 39.193 50.246 13.926 1.00 0.00 N ATOM 0 H LYS A 29 44.980 47.635 15.323 1.00 0.00 H new ATOM 0 HA LYS A 29 45.351 50.275 14.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.668 49.012 16.471 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.665 50.740 16.177 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.117 50.255 13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.964 48.560 14.163 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.075 49.035 15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.298 50.763 15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.035 50.396 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.536 48.757 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.519 49.490 13.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.085 50.505 14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.003 51.078 13.331 1.00 0.00 H new ATOM 471 N ILE A 30 46.961 49.547 16.984 1.00 0.00 N ATOM 472 CA ILE A 30 48.151 49.948 17.706 1.00 0.00 C ATOM 473 C ILE A 30 49.313 50.210 16.746 1.00 0.00 C ATOM 474 O ILE A 30 49.988 51.227 16.888 1.00 0.00 O ATOM 475 CB ILE A 30 48.502 48.917 18.774 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.462 48.937 19.890 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.897 49.126 19.358 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.498 47.716 20.804 1.00 0.00 C ATOM 0 H ILE A 30 46.686 48.583 17.173 1.00 0.00 H new ATOM 0 HA ILE A 30 47.949 50.889 18.218 1.00 0.00 H new ATOM 0 HB ILE A 30 48.500 47.943 18.286 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.611 49.832 20.493 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.470 49.014 19.445 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.093 48.364 20.113 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.639 49.049 18.563 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.956 50.114 19.815 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.727 47.811 21.569 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.317 46.816 20.216 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.476 47.647 21.281 1.00 0.00 H new ATOM 490 N GLN A 31 49.539 49.357 15.750 1.00 0.00 N ATOM 491 CA GLN A 31 50.612 49.516 14.789 1.00 0.00 C ATOM 492 C GLN A 31 50.525 50.844 14.035 1.00 0.00 C ATOM 493 O GLN A 31 51.536 51.530 13.915 1.00 0.00 O ATOM 494 CB GLN A 31 50.659 48.310 13.854 1.00 0.00 C ATOM 495 CG GLN A 31 51.923 48.255 12.999 1.00 0.00 C ATOM 496 CD GLN A 31 52.037 46.990 12.147 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.064 46.329 11.793 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.252 46.578 11.794 1.00 0.00 N ATOM 0 H GLN A 31 48.970 48.526 15.591 1.00 0.00 H new ATOM 0 HA GLN A 31 51.556 49.555 15.333 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.590 47.398 14.446 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.787 48.332 13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.946 49.126 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.794 48.323 13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.074 47.112 12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.362 45.728 11.240 1.00 0.00 H new ATOM 507 N ASP A 32 49.337 51.269 13.615 1.00 0.00 N ATOM 508 CA ASP A 32 49.120 52.516 12.910 1.00 0.00 C ATOM 509 C ASP A 32 49.422 53.781 13.714 1.00 0.00 C ATOM 510 O ASP A 32 49.657 54.834 13.127 1.00 0.00 O ATOM 511 CB ASP A 32 47.684 52.542 12.393 1.00 0.00 C ATOM 512 CG ASP A 32 47.414 53.711 11.445 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.988 53.740 10.336 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.592 54.595 11.775 1.00 0.00 O ATOM 0 H ASP A 32 48.479 50.737 13.763 1.00 0.00 H new ATOM 0 HA ASP A 32 49.840 52.536 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.472 51.606 11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.000 52.601 13.239 1.00 0.00 H new ATOM 519 N LYS A 33 49.442 53.698 15.041 1.00 0.00 N ATOM 520 CA LYS A 33 49.774 54.794 15.930 1.00 0.00 C ATOM 521 C LYS A 33 51.204 54.737 16.472 1.00 0.00 C ATOM 522 O LYS A 33 51.872 55.767 16.509 1.00 0.00 O ATOM 523 CB LYS A 33 48.745 54.904 17.051 1.00 0.00 C ATOM 524 CG LYS A 33 47.362 55.319 16.557 1.00 0.00 C ATOM 525 CD LYS A 33 46.437 55.708 17.706 1.00 0.00 C ATOM 526 CE LYS A 33 45.063 56.131 17.192 1.00 0.00 C ATOM 527 NZ LYS A 33 44.237 56.715 18.258 1.00 0.00 N ATOM 0 H LYS A 33 49.219 52.836 15.538 1.00 0.00 H new ATOM 0 HA LYS A 33 49.735 55.703 15.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.669 53.944 17.561 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.094 55.629 17.786 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.460 56.160 15.870 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.916 54.498 15.995 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.329 54.866 18.390 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.883 56.525 18.274 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.184 56.856 16.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.552 55.267 16.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.410 57.186 17.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.917 55.963 18.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.798 57.410 18.791 1.00 0.00 H new ATOM 541 N GLU A 34 51.688 53.568 16.884 1.00 0.00 N ATOM 542 CA GLU A 34 52.930 53.413 17.615 1.00 0.00 C ATOM 543 C GLU A 34 54.052 52.713 16.846 1.00 0.00 C ATOM 544 O GLU A 34 55.198 52.766 17.288 1.00 0.00 O ATOM 545 CB GLU A 34 52.667 52.689 18.932 1.00 0.00 C ATOM 546 CG GLU A 34 51.694 53.384 19.880 1.00 0.00 C ATOM 547 CD GLU A 34 52.103 54.806 20.268 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.246 55.030 20.724 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.287 55.744 20.134 1.00 0.00 O ATOM 0 H GLU A 34 51.210 52.683 16.711 1.00 0.00 H new ATOM 0 HA GLU A 34 53.293 54.426 17.791 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.282 51.694 18.709 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.617 52.555 19.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.710 53.416 19.413 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.598 52.786 20.786 1.00 0.00 H new ATOM 556 N GLY A 35 53.782 52.060 15.720 1.00 0.00 N ATOM 557 CA GLY A 35 54.800 51.431 14.903 1.00 0.00 C ATOM 558 C GLY A 35 55.399 50.144 15.475 1.00 0.00 C ATOM 559 O GLY A 35 56.584 49.885 15.274 1.00 0.00 O ATOM 0 H GLY A 35 52.837 51.955 15.350 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.371 51.209 13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.606 52.147 14.742 1.00 0.00 H new ATOM 563 N ILE A 36 54.615 49.358 16.206 1.00 0.00 N ATOM 564 CA ILE A 36 55.011 48.116 16.840 1.00 0.00 C ATOM 565 C ILE A 36 54.427 46.940 16.054 1.00 0.00 C ATOM 566 O ILE A 36 53.203 46.837 15.998 1.00 0.00 O ATOM 567 CB ILE A 36 54.568 48.094 18.300 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.137 49.266 19.095 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.968 46.775 18.955 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.510 49.448 20.474 1.00 0.00 C ATOM 0 H ILE A 36 53.636 49.587 16.378 1.00 0.00 H new ATOM 0 HA ILE A 36 56.098 48.031 16.833 1.00 0.00 H new ATOM 0 HB ILE A 36 53.482 48.190 18.308 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.211 49.124 19.212 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.998 50.182 18.521 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.646 46.773 19.996 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.493 45.948 18.427 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.051 46.660 18.910 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.970 50.301 20.973 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.440 49.624 20.367 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.672 48.549 21.069 1.00 0.00 H new ATOM 582 N PRO A 37 55.218 46.038 15.482 1.00 0.00 N ATOM 583 CA PRO A 37 54.701 44.913 14.729 1.00 0.00 C ATOM 584 C PRO A 37 53.844 43.969 15.574 1.00 0.00 C ATOM 585 O PRO A 37 54.278 43.591 16.660 1.00 0.00 O ATOM 586 CB PRO A 37 55.909 44.197 14.129 1.00 0.00 C ATOM 587 CG PRO A 37 56.971 45.290 14.068 1.00 0.00 C ATOM 588 CD PRO A 37 56.654 46.127 15.303 1.00 0.00 C ATOM 0 HA PRO A 37 54.027 45.268 13.950 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.229 43.360 14.749 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.688 43.795 13.140 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.980 44.878 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.899 45.875 13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.181 45.748 16.178 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.968 47.162 15.165 1.00 0.00 H new ATOM 596 N PRO A 38 52.665 43.551 15.124 1.00 0.00 N ATOM 597 CA PRO A 38 51.790 42.630 15.823 1.00 0.00 C ATOM 598 C PRO A 38 52.446 41.360 16.369 1.00 0.00 C ATOM 599 O PRO A 38 52.092 40.961 17.477 1.00 0.00 O ATOM 600 CB PRO A 38 50.686 42.284 14.828 1.00 0.00 C ATOM 601 CG PRO A 38 50.508 43.606 14.086 1.00 0.00 C ATOM 602 CD PRO A 38 51.946 44.108 13.996 1.00 0.00 C ATOM 0 HA PRO A 38 51.431 43.121 16.728 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.978 41.475 14.158 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.770 41.969 15.327 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.061 43.466 13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.866 44.298 14.631 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.404 43.798 13.057 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.976 45.197 14.021 1.00 0.00 H new ATOM 610 N ASP A 39 53.435 40.772 15.702 1.00 0.00 N ATOM 611 CA ASP A 39 54.117 39.593 16.198 1.00 0.00 C ATOM 612 C ASP A 39 54.940 39.818 17.468 1.00 0.00 C ATOM 613 O ASP A 39 55.335 38.851 18.116 1.00 0.00 O ATOM 614 CB ASP A 39 54.899 38.880 15.099 1.00 0.00 C ATOM 615 CG ASP A 39 56.150 39.601 14.592 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.082 40.226 13.513 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.239 39.440 15.185 1.00 0.00 O ATOM 0 H ASP A 39 53.782 41.104 14.802 1.00 0.00 H new ATOM 0 HA ASP A 39 53.323 38.918 16.516 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.194 37.898 15.469 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.231 38.715 14.254 1.00 0.00 H new ATOM 622 N GLN A 40 55.153 41.070 17.862 1.00 0.00 N ATOM 623 CA GLN A 40 55.798 41.480 19.092 1.00 0.00 C ATOM 624 C GLN A 40 54.829 41.839 20.220 1.00 0.00 C ATOM 625 O GLN A 40 55.282 42.060 21.340 1.00 0.00 O ATOM 626 CB GLN A 40 56.726 42.662 18.822 1.00 0.00 C ATOM 627 CG GLN A 40 57.769 42.411 17.737 1.00 0.00 C ATOM 628 CD GLN A 40 58.751 43.573 17.578 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.857 44.469 18.412 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.525 43.580 16.496 1.00 0.00 N ATOM 0 H GLN A 40 54.861 41.866 17.295 1.00 0.00 H new ATOM 0 HA GLN A 40 56.361 40.613 19.437 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.123 43.524 18.536 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.238 42.924 19.748 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.323 41.503 17.975 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.264 42.236 16.787 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.439 42.837 15.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.205 44.328 16.360 1.00 0.00 H new ATOM 639 N GLN A 41 53.528 41.922 19.955 1.00 0.00 N ATOM 640 CA GLN A 41 52.521 42.398 20.883 1.00 0.00 C ATOM 641 C GLN A 41 51.792 41.252 21.586 1.00 0.00 C ATOM 642 O GLN A 41 51.373 40.302 20.927 1.00 0.00 O ATOM 643 CB GLN A 41 51.497 43.257 20.148 1.00 0.00 C ATOM 644 CG GLN A 41 52.026 44.505 19.446 1.00 0.00 C ATOM 645 CD GLN A 41 50.889 45.340 18.854 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.822 45.483 19.447 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.028 45.920 17.665 1.00 0.00 N ATOM 0 H GLN A 41 53.138 41.648 19.053 1.00 0.00 H new ATOM 0 HA GLN A 41 53.039 42.986 21.640 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.001 42.633 19.405 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.736 43.566 20.864 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.592 45.110 20.154 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.715 44.213 18.654 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.901 45.820 17.148 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.261 46.465 17.271 1.00 0.00 H new ATOM 656 N ARG A 42 51.533 41.379 22.884 1.00 0.00 N ATOM 657 CA ARG A 42 50.552 40.608 23.621 1.00 0.00 C ATOM 658 C ARG A 42 49.759 41.504 24.576 1.00 0.00 C ATOM 659 O ARG A 42 50.325 42.417 25.172 1.00 0.00 O ATOM 660 CB ARG A 42 51.202 39.440 24.356 1.00 0.00 C ATOM 661 CG ARG A 42 51.678 38.340 23.410 1.00 0.00 C ATOM 662 CD ARG A 42 52.349 37.174 24.129 1.00 0.00 C ATOM 663 NE ARG A 42 53.703 37.523 24.562 1.00 0.00 N ATOM 664 CZ ARG A 42 54.700 36.672 24.840 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.579 35.339 24.772 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.900 37.137 25.213 1.00 0.00 N ATOM 0 H ARG A 42 52.025 42.052 23.471 1.00 0.00 H new ATOM 0 HA ARG A 42 49.849 40.185 22.903 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.049 39.807 24.935 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.489 39.020 25.065 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.827 37.966 22.842 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.378 38.766 22.692 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.752 36.885 24.994 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.389 36.310 23.466 1.00 0.00 H new ATOM 0 HE ARG A 42 53.909 38.517 24.663 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.690 34.921 24.496 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.375 34.743 24.996 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.057 38.142 25.286 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.656 36.486 25.424 1.00 0.00 H new ATOM 680 N LEU A 43 48.457 41.263 24.697 1.00 0.00 N ATOM 681 CA LEU A 43 47.512 42.118 25.387 1.00 0.00 C ATOM 682 C LEU A 43 46.810 41.417 26.551 1.00 0.00 C ATOM 683 O LEU A 43 46.479 40.238 26.455 1.00 0.00 O ATOM 684 CB LEU A 43 46.510 42.659 24.371 1.00 0.00 C ATOM 685 CG LEU A 43 47.078 43.666 23.376 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.152 43.802 22.170 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.229 45.047 24.007 1.00 0.00 C ATOM 0 H LEU A 43 48.020 40.432 24.299 1.00 0.00 H new ATOM 0 HA LEU A 43 48.063 42.943 25.840 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.090 41.820 23.816 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.687 43.129 24.910 1.00 0.00 H new ATOM 0 HG LEU A 43 48.056 43.295 23.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.571 44.524 21.469 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.051 42.835 21.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.172 44.144 22.501 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.636 45.741 23.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.254 45.403 24.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.905 44.985 24.860 1.00 0.00 H new ATOM 699 N ILE A 44 46.569 42.148 27.637 1.00 0.00 N ATOM 700 CA ILE A 44 45.962 41.671 28.863 1.00 0.00 C ATOM 701 C ILE A 44 44.822 42.598 29.288 1.00 0.00 C ATOM 702 O ILE A 44 44.975 43.817 29.262 1.00 0.00 O ATOM 703 CB ILE A 44 47.010 41.537 29.965 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.182 40.655 29.547 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.405 41.010 31.262 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.336 40.582 30.543 1.00 0.00 C ATOM 0 H ILE A 44 46.807 43.139 27.681 1.00 0.00 H new ATOM 0 HA ILE A 44 45.542 40.681 28.684 1.00 0.00 H new ATOM 0 HB ILE A 44 47.389 42.544 30.140 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.810 39.645 29.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.568 41.021 28.596 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.184 40.929 32.020 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.632 41.696 31.608 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.967 40.028 31.086 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.116 39.930 30.149 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.744 41.580 30.701 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.974 40.183 31.491 1.00 0.00 H new ATOM 718 N PHE A 45 43.701 42.048 29.747 1.00 0.00 N ATOM 719 CA PHE A 45 42.602 42.766 30.360 1.00 0.00 C ATOM 720 C PHE A 45 42.275 42.187 31.738 1.00 0.00 C ATOM 721 O PHE A 45 41.802 41.056 31.832 1.00 0.00 O ATOM 722 CB PHE A 45 41.373 42.705 29.459 1.00 0.00 C ATOM 723 CG PHE A 45 40.111 43.278 30.060 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.083 44.596 30.531 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.958 42.488 30.148 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.913 45.112 31.101 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.782 43.009 30.701 1.00 0.00 C ATOM 728 CZ PHE A 45 37.759 44.323 31.184 1.00 0.00 C ATOM 0 H PHE A 45 43.533 41.043 29.696 1.00 0.00 H new ATOM 0 HA PHE A 45 42.899 43.807 30.489 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.592 43.239 28.535 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.190 41.665 29.190 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.965 45.215 30.455 1.00 0.00 H new ATOM 0 HD2 PHE A 45 38.976 41.470 29.787 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.900 46.124 31.479 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.893 42.398 30.755 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.856 44.726 31.618 1.00 0.00 H new ATOM 738 N ALA A 46 42.497 42.956 32.801 1.00 0.00 N ATOM 739 CA ALA A 46 42.153 42.603 34.164 1.00 0.00 C ATOM 740 C ALA A 46 42.530 41.169 34.542 1.00 0.00 C ATOM 741 O ALA A 46 41.700 40.370 34.968 1.00 0.00 O ATOM 742 CB ALA A 46 40.694 42.978 34.405 1.00 0.00 C ATOM 0 H ALA A 46 42.937 43.873 32.728 1.00 0.00 H new ATOM 0 HA ALA A 46 42.764 43.182 34.856 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.416 42.720 35.427 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.564 44.050 34.253 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.058 42.433 33.707 1.00 0.00 H new ATOM 748 N GLY A 47 43.795 40.819 34.328 1.00 0.00 N ATOM 749 CA GLY A 47 44.371 39.511 34.564 1.00 0.00 C ATOM 750 C GLY A 47 44.136 38.440 33.498 1.00 0.00 C ATOM 751 O GLY A 47 44.864 37.449 33.498 1.00 0.00 O ATOM 0 H GLY A 47 44.479 41.483 33.965 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.447 39.633 34.688 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.981 39.136 35.511 1.00 0.00 H new ATOM 755 N LYS A 48 43.200 38.608 32.568 1.00 0.00 N ATOM 756 CA LYS A 48 42.988 37.677 31.478 1.00 0.00 C ATOM 757 C LYS A 48 43.927 37.971 30.306 1.00 0.00 C ATOM 758 O LYS A 48 43.935 39.084 29.782 1.00 0.00 O ATOM 759 CB LYS A 48 41.540 37.683 30.995 1.00 0.00 C ATOM 760 CG LYS A 48 40.557 37.161 32.038 1.00 0.00 C ATOM 761 CD LYS A 48 39.169 36.994 31.427 1.00 0.00 C ATOM 762 CE LYS A 48 38.104 36.705 32.481 1.00 0.00 C ATOM 763 NZ LYS A 48 38.201 35.347 33.038 1.00 0.00 N ATOM 0 H LYS A 48 42.564 39.405 32.555 1.00 0.00 H new ATOM 0 HA LYS A 48 43.211 36.684 31.869 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.260 38.699 30.718 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.462 37.074 30.094 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.906 36.205 32.429 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.510 37.852 32.880 1.00 0.00 H new ATOM 0 HD2 LYS A 48 38.902 37.900 30.883 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.189 36.181 30.701 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.194 37.431 33.289 1.00 0.00 H new ATOM 0 HE3 LYS A 48 37.117 36.841 32.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.453 35.209 33.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.087 34.650 32.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.131 35.221 33.486 1.00 0.00 H new ATOM 777 N GLN A 49 44.681 36.967 29.870 1.00 0.00 N ATOM 778 CA GLN A 49 45.502 37.033 28.677 1.00 0.00 C ATOM 779 C GLN A 49 44.637 36.887 27.423 1.00 0.00 C ATOM 780 O GLN A 49 43.967 35.874 27.239 1.00 0.00 O ATOM 781 CB GLN A 49 46.593 35.967 28.721 1.00 0.00 C ATOM 782 CG GLN A 49 47.704 36.337 29.699 1.00 0.00 C ATOM 783 CD GLN A 49 48.649 35.154 29.920 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.480 34.815 29.080 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.538 34.450 31.043 1.00 0.00 N ATOM 0 H GLN A 49 44.736 36.068 30.350 1.00 0.00 H new ATOM 0 HA GLN A 49 45.986 38.009 28.639 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.156 35.011 29.011 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.014 35.836 27.724 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.264 37.189 29.314 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.270 36.644 30.650 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.853 34.720 31.749 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.138 33.640 31.199 1.00 0.00 H new ATOM 794 N LEU A 50 44.664 37.901 26.564 1.00 0.00 N ATOM 795 CA LEU A 50 43.868 37.975 25.355 1.00 0.00 C ATOM 796 C LEU A 50 44.592 37.284 24.198 1.00 0.00 C ATOM 797 O LEU A 50 45.765 37.555 23.948 1.00 0.00 O ATOM 798 CB LEU A 50 43.536 39.427 25.025 1.00 0.00 C ATOM 799 CG LEU A 50 42.931 40.245 26.163 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.694 41.675 25.686 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.598 39.673 26.636 1.00 0.00 C ATOM 0 H LEU A 50 45.261 38.717 26.699 1.00 0.00 H new ATOM 0 HA LEU A 50 42.927 37.450 25.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.448 39.922 24.692 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.842 39.439 24.185 1.00 0.00 H new ATOM 0 HG LEU A 50 43.635 40.216 26.995 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.262 42.262 26.496 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.642 42.119 25.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.009 41.667 24.838 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.205 40.287 27.446 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.889 39.669 25.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.746 38.654 26.993 1.00 0.00 H new ATOM 813 N GLU A 51 43.907 36.389 23.492 1.00 0.00 N ATOM 814 CA GLU A 51 44.457 35.552 22.445 1.00 0.00 C ATOM 815 C GLU A 51 43.718 35.751 21.121 1.00 0.00 C ATOM 816 O GLU A 51 42.601 36.264 21.075 1.00 0.00 O ATOM 817 CB GLU A 51 44.490 34.098 22.906 1.00 0.00 C ATOM 818 CG GLU A 51 45.396 33.910 24.120 1.00 0.00 C ATOM 819 CD GLU A 51 45.404 32.479 24.662 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.452 31.802 24.580 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.384 32.058 25.249 1.00 0.00 O ATOM 0 H GLU A 51 42.912 36.225 23.645 1.00 0.00 H new ATOM 0 HA GLU A 51 45.487 35.852 22.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.480 33.771 23.152 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.839 33.466 22.090 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.414 34.194 23.851 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.075 34.588 24.911 1.00 0.00 H new ATOM 828 N ASP A 52 44.350 35.380 20.011 1.00 0.00 N ATOM 829 CA ASP A 52 43.954 35.805 18.684 1.00 0.00 C ATOM 830 C ASP A 52 42.759 35.030 18.126 1.00 0.00 C ATOM 831 O ASP A 52 42.494 33.891 18.502 1.00 0.00 O ATOM 832 CB ASP A 52 45.169 35.789 17.759 1.00 0.00 C ATOM 833 CG ASP A 52 46.312 36.653 18.294 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.232 36.110 18.944 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.336 37.881 18.063 1.00 0.00 O ATOM 0 H ASP A 52 45.164 34.766 20.015 1.00 0.00 H new ATOM 0 HA ASP A 52 43.590 36.830 18.753 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.517 34.763 17.637 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.877 36.146 16.772 1.00 0.00 H new ATOM 840 N GLY A 53 41.973 35.669 17.263 1.00 0.00 N ATOM 841 CA GLY A 53 40.732 35.170 16.704 1.00 0.00 C ATOM 842 C GLY A 53 39.524 35.161 17.643 1.00 0.00 C ATOM 843 O GLY A 53 38.401 34.945 17.192 1.00 0.00 O ATOM 0 H GLY A 53 42.204 36.601 16.919 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.483 35.773 15.831 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.900 34.152 16.352 1.00 0.00 H new ATOM 847 N ARG A 54 39.715 35.435 18.929 1.00 0.00 N ATOM 848 CA ARG A 54 38.654 35.713 19.878 1.00 0.00 C ATOM 849 C ARG A 54 38.228 37.176 19.743 1.00 0.00 C ATOM 850 O ARG A 54 39.078 38.023 19.475 1.00 0.00 O ATOM 851 CB ARG A 54 39.099 35.422 21.308 1.00 0.00 C ATOM 852 CG ARG A 54 39.387 33.974 21.696 1.00 0.00 C ATOM 853 CD ARG A 54 40.622 33.389 21.018 1.00 0.00 C ATOM 854 NE ARG A 54 41.173 32.242 21.739 1.00 0.00 N ATOM 855 CZ ARG A 54 42.323 31.615 21.454 1.00 0.00 C ATOM 856 NH1 ARG A 54 43.134 31.963 20.446 1.00 0.00 N ATOM 857 NH2 ARG A 54 42.709 30.575 22.206 1.00 0.00 N ATOM 0 H ARG A 54 40.644 35.470 19.349 1.00 0.00 H new ATOM 0 HA ARG A 54 37.809 35.061 19.657 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.001 36.003 21.500 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.328 35.799 21.979 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.516 33.916 22.777 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.521 33.361 21.445 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.365 33.085 20.003 1.00 0.00 H new ATOM 0 HD3 ARG A 54 41.386 34.162 20.935 1.00 0.00 H new ATOM 0 HE ARG A 54 40.634 31.888 22.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 42.889 32.748 19.842 1.00 0.00 H new ATOM 0 HH12 ARG A 54 43.996 31.443 20.283 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.129 30.267 22.987 1.00 0.00 H new ATOM 0 HH22 ARG A 54 43.582 30.091 21.997 1.00 0.00 H new ATOM 871 N THR A 55 36.951 37.487 19.942 1.00 0.00 N ATOM 872 CA THR A 55 36.460 38.850 19.889 1.00 0.00 C ATOM 873 C THR A 55 36.446 39.522 21.263 1.00 0.00 C ATOM 874 O THR A 55 36.410 38.847 22.289 1.00 0.00 O ATOM 875 CB THR A 55 35.103 38.999 19.207 1.00 0.00 C ATOM 876 OG1 THR A 55 34.057 38.465 19.988 1.00 0.00 O ATOM 877 CG2 THR A 55 35.037 38.358 17.823 1.00 0.00 C ATOM 0 H THR A 55 36.229 36.795 20.145 1.00 0.00 H new ATOM 0 HA THR A 55 37.182 39.370 19.260 1.00 0.00 H new ATOM 0 HB THR A 55 34.978 40.076 19.094 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.063 37.487 19.919 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.043 38.505 17.401 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.779 38.820 17.172 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.242 37.291 17.906 1.00 0.00 H new ATOM 885 N LEU A 56 36.433 40.852 21.297 1.00 0.00 N ATOM 886 CA LEU A 56 36.420 41.626 22.522 1.00 0.00 C ATOM 887 C LEU A 56 35.285 41.247 23.476 1.00 0.00 C ATOM 888 O LEU A 56 35.508 41.107 24.676 1.00 0.00 O ATOM 889 CB LEU A 56 36.354 43.110 22.171 1.00 0.00 C ATOM 890 CG LEU A 56 37.590 43.675 21.477 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.329 45.132 21.108 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.832 43.639 22.363 1.00 0.00 C ATOM 0 H LEU A 56 36.431 41.427 20.455 1.00 0.00 H new ATOM 0 HA LEU A 56 37.341 41.400 23.059 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.490 43.276 21.528 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.183 43.675 23.087 1.00 0.00 H new ATOM 0 HG LEU A 56 37.775 43.055 20.600 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.207 45.544 20.611 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.472 45.189 20.437 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.121 45.705 22.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.680 44.053 21.818 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.655 44.230 23.262 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.049 42.608 22.643 1.00 0.00 H new ATOM 904 N SER A 57 34.082 41.023 22.956 1.00 0.00 N ATOM 905 CA SER A 57 32.941 40.580 23.733 1.00 0.00 C ATOM 906 C SER A 57 33.056 39.154 24.277 1.00 0.00 C ATOM 907 O SER A 57 32.480 38.873 25.325 1.00 0.00 O ATOM 908 CB SER A 57 31.654 40.723 22.926 1.00 0.00 C ATOM 909 OG SER A 57 31.737 39.999 21.717 1.00 0.00 O ATOM 0 H SER A 57 33.875 41.148 21.965 1.00 0.00 H new ATOM 0 HA SER A 57 32.918 41.234 24.605 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.809 40.363 23.513 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.468 41.776 22.713 1.00 0.00 H new ATOM 0 HG SER A 57 32.222 40.530 21.051 1.00 0.00 H new ATOM 915 N ASP A 58 33.835 38.276 23.649 1.00 0.00 N ATOM 916 CA ASP A 58 34.095 36.943 24.152 1.00 0.00 C ATOM 917 C ASP A 58 34.984 36.950 25.398 1.00 0.00 C ATOM 918 O ASP A 58 34.972 35.993 26.169 1.00 0.00 O ATOM 919 CB ASP A 58 34.722 36.062 23.075 1.00 0.00 C ATOM 920 CG ASP A 58 33.898 35.923 21.794 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.663 35.737 21.860 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.495 35.954 20.696 1.00 0.00 O ATOM 0 H ASP A 58 34.305 38.479 22.767 1.00 0.00 H new ATOM 0 HA ASP A 58 33.128 36.529 24.437 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.700 36.469 22.818 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.889 35.069 23.491 1.00 0.00 H new ATOM 927 N TYR A 59 35.725 38.033 25.611 1.00 0.00 N ATOM 928 CA TYR A 59 36.485 38.344 26.806 1.00 0.00 C ATOM 929 C TYR A 59 35.790 39.326 27.751 1.00 0.00 C ATOM 930 O TYR A 59 36.405 39.776 28.715 1.00 0.00 O ATOM 931 CB TYR A 59 37.881 38.818 26.412 1.00 0.00 C ATOM 932 CG TYR A 59 38.820 37.734 25.938 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.230 36.742 26.837 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.353 37.777 24.645 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.165 35.778 26.441 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.321 36.845 24.253 1.00 0.00 C ATOM 937 CZ TYR A 59 40.713 35.825 25.144 1.00 0.00 C ATOM 938 OH TYR A 59 41.651 34.912 24.760 1.00 0.00 O ATOM 0 H TYR A 59 35.813 38.762 24.903 1.00 0.00 H new ATOM 0 HA TYR A 59 36.564 37.424 27.385 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.785 39.563 25.622 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.332 39.318 27.269 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.824 36.720 27.838 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.017 38.531 23.948 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.465 35.001 27.128 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.766 36.907 23.271 1.00 0.00 H new ATOM 0 HH TYR A 59 41.392 34.518 23.901 1.00 0.00 H new ATOM 948 N ASN A 60 34.521 39.653 27.521 1.00 0.00 N ATOM 949 CA ASN A 60 33.743 40.574 28.324 1.00 0.00 C ATOM 950 C ASN A 60 34.359 41.967 28.467 1.00 0.00 C ATOM 951 O ASN A 60 34.197 42.632 29.488 1.00 0.00 O ATOM 952 CB ASN A 60 33.300 39.903 29.621 1.00 0.00 C ATOM 953 CG ASN A 60 32.306 38.766 29.378 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.093 38.966 29.363 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.778 37.541 29.166 1.00 0.00 N ATOM 0 H ASN A 60 33.992 39.266 26.739 1.00 0.00 H new ATOM 0 HA ASN A 60 32.829 40.806 27.777 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.174 39.513 30.142 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.845 40.647 30.275 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.134 36.769 28.991 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.784 37.373 29.178 1.00 0.00 H new ATOM 962 N ILE A 61 35.061 42.444 27.442 1.00 0.00 N ATOM 963 CA ILE A 61 35.591 43.790 27.365 1.00 0.00 C ATOM 964 C ILE A 61 34.468 44.752 26.972 1.00 0.00 C ATOM 965 O ILE A 61 33.702 44.464 26.055 1.00 0.00 O ATOM 966 CB ILE A 61 36.775 43.847 26.404 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.935 42.997 26.914 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.255 45.278 26.181 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.973 42.633 25.854 1.00 0.00 C ATOM 0 H ILE A 61 35.280 41.882 26.620 1.00 0.00 H new ATOM 0 HA ILE A 61 35.970 44.098 28.340 1.00 0.00 H new ATOM 0 HB ILE A 61 36.427 43.447 25.452 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.433 43.533 27.722 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.534 42.078 27.341 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.099 45.275 25.491 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.444 45.872 25.760 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.566 45.710 27.132 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.759 42.029 26.307 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.494 42.066 25.056 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.407 43.544 25.442 1.00 0.00 H new ATOM 981 N GLN A 62 34.371 45.894 27.645 1.00 0.00 N ATOM 982 CA GLN A 62 33.343 46.895 27.442 1.00 0.00 C ATOM 983 C GLN A 62 33.916 48.272 27.101 1.00 0.00 C ATOM 984 O GLN A 62 35.128 48.478 27.114 1.00 0.00 O ATOM 985 CB GLN A 62 32.460 46.981 28.683 1.00 0.00 C ATOM 986 CG GLN A 62 31.674 45.710 28.995 1.00 0.00 C ATOM 987 CD GLN A 62 30.657 45.923 30.118 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.618 46.946 30.798 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.763 44.966 30.355 1.00 0.00 N ATOM 0 H GLN A 62 35.035 46.153 28.374 1.00 0.00 H new ATOM 0 HA GLN A 62 32.749 46.583 26.583 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.086 47.225 29.541 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.757 47.805 28.556 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.156 45.375 28.096 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.366 44.917 29.279 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.776 44.108 29.803 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.065 45.090 31.088 1.00 0.00 H new ATOM 998 N LYS A 63 33.048 49.248 26.852 1.00 0.00 N ATOM 999 CA LYS A 63 33.384 50.649 26.697 1.00 0.00 C ATOM 1000 C LYS A 63 34.231 51.211 27.840 1.00 0.00 C ATOM 1001 O LYS A 63 34.036 50.877 29.007 1.00 0.00 O ATOM 1002 CB LYS A 63 32.106 51.459 26.493 1.00 0.00 C ATOM 1003 CG LYS A 63 31.120 51.381 27.656 1.00 0.00 C ATOM 1004 CD LYS A 63 29.777 51.996 27.273 1.00 0.00 C ATOM 1005 CE LYS A 63 28.787 51.778 28.413 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.425 52.182 28.032 1.00 0.00 N ATOM 0 H LYS A 63 32.049 49.070 26.749 1.00 0.00 H new ATOM 0 HA LYS A 63 34.016 50.734 25.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.374 52.503 26.328 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.610 51.111 25.587 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.978 50.341 27.949 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.530 51.902 28.521 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.894 53.061 27.075 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.402 51.540 26.357 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.788 50.727 28.701 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.105 52.348 29.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.779 52.020 28.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.420 53.191 27.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.112 51.621 27.214 1.00 0.00 H new ATOM 1020 N GLU A 64 35.192 52.065 27.496 1.00 0.00 N ATOM 1021 CA GLU A 64 36.149 52.701 28.378 1.00 0.00 C ATOM 1022 C GLU A 64 37.060 51.760 29.169 1.00 0.00 C ATOM 1023 O GLU A 64 37.776 52.205 30.064 1.00 0.00 O ATOM 1024 CB GLU A 64 35.492 53.776 29.240 1.00 0.00 C ATOM 1025 CG GLU A 64 34.627 54.744 28.437 1.00 0.00 C ATOM 1026 CD GLU A 64 34.460 56.100 29.124 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.882 57.114 28.526 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.930 56.172 30.254 1.00 0.00 O ATOM 0 H GLU A 64 35.326 52.346 26.525 1.00 0.00 H new ATOM 0 HA GLU A 64 36.851 53.197 27.708 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.878 53.296 30.002 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.267 54.338 29.762 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.073 54.893 27.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.645 54.299 28.277 1.00 0.00 H new ATOM 1035 N SER A 65 37.086 50.473 28.835 1.00 0.00 N ATOM 1036 CA SER A 65 37.984 49.513 29.444 1.00 0.00 C ATOM 1037 C SER A 65 39.448 49.831 29.132 1.00 0.00 C ATOM 1038 O SER A 65 39.768 50.269 28.030 1.00 0.00 O ATOM 1039 CB SER A 65 37.712 48.079 29.001 1.00 0.00 C ATOM 1040 OG SER A 65 36.380 47.696 29.260 1.00 0.00 O ATOM 0 H SER A 65 36.475 50.069 28.125 1.00 0.00 H new ATOM 0 HA SER A 65 37.798 49.595 30.515 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.917 47.982 27.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.392 47.403 29.519 1.00 0.00 H new ATOM 0 HG SER A 65 35.774 48.210 28.686 1.00 0.00 H new ATOM 1046 N THR A 66 40.331 49.545 30.084 1.00 0.00 N ATOM 1047 CA THR A 66 41.767 49.691 29.948 1.00 0.00 C ATOM 1048 C THR A 66 42.422 48.314 29.831 1.00 0.00 C ATOM 1049 O THR A 66 42.242 47.446 30.683 1.00 0.00 O ATOM 1050 CB THR A 66 42.359 50.483 31.111 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.742 51.745 31.224 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.846 50.761 30.905 1.00 0.00 C ATOM 0 H THR A 66 40.052 49.194 31.000 1.00 0.00 H new ATOM 0 HA THR A 66 41.971 50.255 29.038 1.00 0.00 H new ATOM 0 HB THR A 66 42.197 49.874 32.001 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.135 52.235 31.976 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.231 51.327 31.753 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.385 49.817 30.823 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.985 51.338 29.991 1.00 0.00 H new ATOM 1060 N LEU A 67 43.198 48.117 28.770 1.00 0.00 N ATOM 1061 CA LEU A 67 44.038 46.964 28.513 1.00 0.00 C ATOM 1062 C LEU A 67 45.501 47.341 28.755 1.00 0.00 C ATOM 1063 O LEU A 67 45.862 48.515 28.701 1.00 0.00 O ATOM 1064 CB LEU A 67 43.828 46.498 27.076 1.00 0.00 C ATOM 1065 CG LEU A 67 42.638 45.583 26.803 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.278 46.169 27.172 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.610 45.240 25.315 1.00 0.00 C ATOM 0 H LEU A 67 43.257 48.807 28.021 1.00 0.00 H new ATOM 0 HA LEU A 67 43.773 46.148 29.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.725 47.382 26.447 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.732 45.981 26.754 1.00 0.00 H new ATOM 0 HG LEU A 67 42.787 44.711 27.439 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.496 45.446 26.942 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.258 46.399 28.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.108 47.082 26.601 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.763 44.586 25.108 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.512 46.156 24.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.535 44.733 25.041 1.00 0.00 H new ATOM 1079 N HIS A 68 46.366 46.349 28.942 1.00 0.00 N ATOM 1080 CA HIS A 68 47.796 46.533 29.085 1.00 0.00 C ATOM 1081 C HIS A 68 48.542 45.735 28.013 1.00 0.00 C ATOM 1082 O HIS A 68 48.206 44.582 27.751 1.00 0.00 O ATOM 1083 CB HIS A 68 48.231 46.181 30.504 1.00 0.00 C ATOM 1084 CG HIS A 68 47.664 47.105 31.546 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.386 47.025 32.098 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.308 48.183 32.095 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.283 48.042 32.957 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.415 48.763 32.974 1.00 0.00 N ATOM 0 H HIS A 68 46.079 45.372 28.999 1.00 0.00 H new ATOM 0 HA HIS A 68 48.052 47.581 28.929 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.924 45.160 30.728 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.319 46.206 30.560 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.314 48.513 31.882 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.410 48.255 33.555 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.586 49.595 33.538 1.00 0.00 H new ATOM 1096 N LEU A 69 49.528 46.362 27.379 1.00 0.00 N ATOM 1097 CA LEU A 69 50.380 45.802 26.349 1.00 0.00 C ATOM 1098 C LEU A 69 51.731 45.394 26.940 1.00 0.00 C ATOM 1099 O LEU A 69 52.368 46.188 27.629 1.00 0.00 O ATOM 1100 CB LEU A 69 50.519 46.836 25.235 1.00 0.00 C ATOM 1101 CG LEU A 69 51.487 46.517 24.101 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.110 45.266 23.312 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.517 47.677 23.109 1.00 0.00 C ATOM 0 H LEU A 69 49.763 47.332 27.587 1.00 0.00 H new ATOM 0 HA LEU A 69 49.941 44.896 25.932 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.533 46.998 24.801 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.828 47.779 25.687 1.00 0.00 H new ATOM 0 HG LEU A 69 52.454 46.349 24.575 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.842 45.100 22.522 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.096 44.405 23.980 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.123 45.399 22.870 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.210 47.446 22.300 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.519 47.831 22.699 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.844 48.583 23.619 1.00 0.00 H new ATOM 1115 N VAL A 70 52.184 44.189 26.607 1.00 0.00 N ATOM 1116 CA VAL A 70 53.507 43.676 26.896 1.00 0.00 C ATOM 1117 C VAL A 70 54.216 43.246 25.611 1.00 0.00 C ATOM 1118 O VAL A 70 53.587 42.824 24.644 1.00 0.00 O ATOM 1119 CB VAL A 70 53.481 42.565 27.942 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.078 43.111 29.308 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.558 41.404 27.584 1.00 0.00 C ATOM 0 H VAL A 70 51.606 43.516 26.104 1.00 0.00 H new ATOM 0 HA VAL A 70 54.086 44.488 27.336 1.00 0.00 H new ATOM 0 HB VAL A 70 54.499 42.177 27.971 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.067 42.299 30.035 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.794 43.870 29.622 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.084 43.554 29.244 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.593 40.654 28.375 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.537 41.771 27.476 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.884 40.956 26.645 1.00 0.00 H new ATOM 1131 N LEU A 71 55.539 43.379 25.591 1.00 0.00 N ATOM 1132 CA LEU A 71 56.364 43.340 24.401 1.00 0.00 C ATOM 1133 C LEU A 71 57.500 42.322 24.512 1.00 0.00 C ATOM 1134 O LEU A 71 58.087 42.140 25.577 1.00 0.00 O ATOM 1135 CB LEU A 71 56.889 44.739 24.091 1.00 0.00 C ATOM 1136 CG LEU A 71 55.820 45.783 23.783 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.469 47.140 23.529 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.990 45.431 22.552 1.00 0.00 C ATOM 0 H LEU A 71 56.082 43.523 26.442 1.00 0.00 H new ATOM 0 HA LEU A 71 55.742 43.006 23.570 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.477 45.085 24.941 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.567 44.675 23.240 1.00 0.00 H new ATOM 0 HG LEU A 71 55.164 45.812 24.653 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.697 47.877 23.310 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.025 47.449 24.414 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.150 47.065 22.681 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.246 46.209 22.381 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.643 45.356 21.682 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.488 44.477 22.712 1.00 0.00 H new ATOM 1150 N ARG A 72 57.816 41.653 23.407 1.00 0.00 N ATOM 1151 CA ARG A 72 58.763 40.556 23.385 1.00 0.00 C ATOM 1152 C ARG A 72 60.220 40.992 23.547 1.00 0.00 C ATOM 1153 O ARG A 72 60.970 40.321 24.252 1.00 0.00 O ATOM 1154 CB ARG A 72 58.570 39.734 22.113 1.00 0.00 C ATOM 1155 CG ARG A 72 57.237 38.992 22.104 1.00 0.00 C ATOM 1156 CD ARG A 72 57.104 38.095 20.877 1.00 0.00 C ATOM 1157 NE ARG A 72 55.822 37.392 20.854 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.590 36.148 21.296 1.00 0.00 C ATOM 1159 NH1 ARG A 72 56.535 35.386 21.861 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.364 35.622 21.167 1.00 0.00 N ATOM 0 H ARG A 72 57.414 41.864 22.494 1.00 0.00 H new ATOM 0 HA ARG A 72 58.551 39.939 24.258 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.624 40.392 21.246 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.385 39.016 22.019 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.149 38.389 23.008 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.419 39.712 22.120 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.204 38.697 19.974 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.917 37.369 20.868 1.00 0.00 H new ATOM 0 HE ARG A 72 55.027 37.898 20.464 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.483 35.747 21.971 1.00 0.00 H new ATOM 0 HH12 ARG A 72 56.307 34.445 22.181 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.618 36.167 20.736 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.177 34.676 21.500 1.00 0.00 H new ATOM 1174 N LEU A 73 60.623 42.104 22.939 1.00 0.00 N ATOM 1175 CA LEU A 73 62.003 42.519 22.780 1.00 0.00 C ATOM 1176 C LEU A 73 62.447 43.610 23.755 1.00 0.00 C ATOM 1177 O LEU A 73 63.299 44.432 23.424 1.00 0.00 O ATOM 1178 CB LEU A 73 62.271 42.874 21.320 1.00 0.00 C ATOM 1179 CG LEU A 73 61.826 41.866 20.265 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.176 42.391 18.875 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.489 40.502 20.435 1.00 0.00 C ATOM 0 H LEU A 73 59.964 42.765 22.528 1.00 0.00 H new ATOM 0 HA LEU A 73 62.629 41.669 23.050 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.781 43.824 21.108 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.343 43.035 21.203 1.00 0.00 H new ATOM 0 HG LEU A 73 60.750 41.741 20.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.857 41.669 18.123 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.667 43.340 18.706 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.254 42.539 18.803 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.135 39.826 19.657 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.571 40.611 20.356 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.236 40.094 21.413 1.00 0.00 H new ATOM 1193 N ARG A 74 61.858 43.655 24.947 1.00 0.00 N ATOM 1194 CA ARG A 74 62.131 44.576 26.032 1.00 0.00 C ATOM 1195 C ARG A 74 62.034 43.875 27.388 1.00 0.00 C ATOM 1196 O ARG A 74 61.396 42.830 27.492 1.00 0.00 O ATOM 1197 CB ARG A 74 61.146 45.743 26.008 1.00 0.00 C ATOM 1198 CG ARG A 74 61.269 46.656 24.792 1.00 0.00 C ATOM 1199 CD ARG A 74 60.247 47.787 24.877 1.00 0.00 C ATOM 1200 NE ARG A 74 60.327 48.682 23.721 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.522 49.720 23.458 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.495 50.069 24.245 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.734 50.468 22.366 1.00 0.00 N ATOM 0 H ARG A 74 61.121 42.994 25.192 1.00 0.00 H new ATOM 0 HA ARG A 74 63.146 44.949 25.894 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.132 45.345 26.046 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.288 46.339 26.909 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.276 47.069 24.739 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.112 46.081 23.879 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.244 47.366 24.942 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.412 48.358 25.791 1.00 0.00 H new ATOM 0 HE ARG A 74 61.071 48.496 23.048 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.296 49.535 25.091 1.00 0.00 H new ATOM 0 HH12 ARG A 74 57.912 50.869 23.998 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.507 50.246 21.738 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.123 51.259 22.163 1.00 0.00 H new ATOM 1217 N GLY A 75 62.609 44.460 28.434 1.00 0.00 N ATOM 1218 CA GLY A 75 62.529 44.011 29.810 1.00 0.00 C ATOM 1219 C GLY A 75 63.904 43.705 30.410 1.00 0.00 C ATOM 1220 O GLY A 75 64.551 42.741 30.009 1.00 0.00 O ATOM 0 H GLY A 75 63.172 45.305 28.334 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.037 44.776 30.410 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.907 43.117 29.861 1.00 0.00 H new ATOM 1224 N GLY A 76 64.343 44.522 31.363 1.00 0.00 N ATOM 1225 CA GLY A 76 65.681 44.507 31.918 1.00 0.00 C ATOM 1226 C GLY A 76 66.723 45.035 30.929 1.00 0.00 C ATOM 1227 O GLY A 76 67.605 44.259 30.503 1.00 0.00 O ATOM 1228 OXT GLY A 76 66.644 46.228 30.565 1.00 0.00 O ATOM 0 H GLY A 76 63.749 45.238 31.782 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.703 45.112 32.824 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.941 43.489 32.208 1.00 0.00 H new TER 1232 GLY A 76