USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 60 ASN : amide:sc= -0.145 K(o=0.055,f=-2.2) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.199 K(o=0.055,f=-1.5) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.0133 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.0124 (180deg=-0.288) USER MOD Single : A 2 GLN : amide:sc= -0.543 K(o=-0.54,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 39:sc= 0.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.871 K(o=-0.87,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.0547 (180deg=0.0203) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00453 K(o=-0.0045,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.542 K(o=-0.54,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 62:sc= -0.0667 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 130:sc= -0.168 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.763 24.993 2.924 1.00 49.53 N ATOM 2 CA MET A 1 25.708 25.990 3.180 1.00 50.07 C ATOM 3 C MET A 1 26.375 27.238 3.805 1.00 50.51 C ATOM 4 O MET A 1 27.451 27.108 4.389 1.00 49.49 O ATOM 5 CB MET A 1 24.641 25.419 4.113 1.00 49.82 C ATOM 6 CG MET A 1 24.026 24.110 3.640 1.00 49.86 C ATOM 7 SD MET A 1 23.097 24.293 2.104 1.00 49.91 S ATOM 8 CE MET A 1 22.881 22.579 1.633 1.00 49.78 C ATOM 0 H1 MET A 1 26.558 24.491 2.036 1.00 49.53 H new ATOM 0 H2 MET A 1 27.683 25.473 2.847 1.00 49.53 H new ATOM 0 H3 MET A 1 26.793 24.311 3.708 1.00 49.53 H new ATOM 0 HA MET A 1 25.211 26.260 2.248 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.082 25.264 5.098 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.848 26.157 4.232 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.816 23.373 3.496 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.365 23.722 4.416 1.00 49.86 H new ATOM 0 HE1 MET A 1 22.322 22.526 0.699 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.857 22.113 1.499 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.332 22.053 2.414 1.00 49.78 H new ATOM 18 N GLN A 2 25.701 28.338 3.646 1.00 49.53 N ATOM 19 CA GLN A 2 26.229 29.606 4.242 1.00 50.07 C ATOM 20 C GLN A 2 25.494 29.927 5.535 1.00 50.51 C ATOM 21 O GLN A 2 24.360 29.447 5.814 1.00 49.49 O ATOM 22 CB GLN A 2 26.082 30.768 3.257 1.00 49.82 C ATOM 23 CG GLN A 2 26.989 30.674 2.042 1.00 49.82 C ATOM 24 CD GLN A 2 26.520 29.629 1.048 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.317 29.457 0.828 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.466 28.921 0.443 1.00 49.38 N ATOM 0 H GLN A 2 24.820 28.422 3.138 1.00 49.53 H new ATOM 0 HA GLN A 2 27.288 29.466 4.460 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.046 30.815 2.920 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.290 31.701 3.780 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.033 31.645 1.550 1.00 49.82 H new ATOM 0 HG3 GLN A 2 28.002 30.434 2.366 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.448 29.096 0.655 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.211 28.202 -0.234 1.00 49.38 H new ATOM 35 N ILE A 3 26.271 30.269 6.552 1.00 49.53 N ATOM 36 CA ILE A 3 25.688 30.747 7.822 1.00 50.07 C ATOM 37 C ILE A 3 26.486 32.009 8.264 1.00 50.51 C ATOM 38 O ILE A 3 27.593 32.142 7.771 1.00 49.49 O ATOM 39 CB ILE A 3 25.754 29.676 8.927 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.193 29.187 9.111 1.00 49.82 C ATOM 41 CG2 ILE A 3 24.832 28.513 8.596 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.350 28.147 10.196 1.00 49.73 C ATOM 0 H ILE A 3 27.290 30.230 6.537 1.00 49.53 H new ATOM 0 HA ILE A 3 24.634 30.978 7.665 1.00 50.07 H new ATOM 0 HB ILE A 3 25.420 30.123 9.863 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.549 28.772 8.168 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.830 30.040 9.344 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.891 27.765 9.387 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.807 28.874 8.513 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.137 28.065 7.650 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.396 27.850 10.267 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.026 28.564 11.149 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.741 27.276 9.956 1.00 49.73 H new ATOM 54 N PHE A 4 25.839 32.765 9.119 1.00 49.53 N ATOM 55 CA PHE A 4 26.539 34.010 9.615 1.00 50.07 C ATOM 56 C PHE A 4 26.787 33.845 11.088 1.00 50.51 C ATOM 57 O PHE A 4 25.850 33.378 11.751 1.00 49.49 O ATOM 58 CB PHE A 4 25.695 35.256 9.343 1.00 49.82 C ATOM 59 CG PHE A 4 25.507 35.556 7.884 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.589 34.843 7.127 1.00 49.88 C ATOM 61 CD2 PHE A 4 26.249 36.550 7.264 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.416 35.118 5.784 1.00 49.88 C ATOM 63 CE2 PHE A 4 26.077 36.828 5.922 1.00 49.88 C ATOM 64 CZ PHE A 4 25.159 36.110 5.181 1.00 49.88 C ATOM 0 H PHE A 4 24.902 32.594 9.485 1.00 49.53 H new ATOM 0 HA PHE A 4 27.484 34.142 9.088 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.717 35.129 9.807 1.00 49.82 H new ATOM 0 HB3 PHE A 4 26.166 36.114 9.823 1.00 49.82 H new ATOM 0 HD1 PHE A 4 24.003 34.064 7.592 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.970 37.114 7.837 1.00 49.88 H new ATOM 0 HE1 PHE A 4 23.698 34.555 5.206 1.00 49.88 H new ATOM 0 HE2 PHE A 4 26.660 37.606 5.452 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.024 36.325 4.131 1.00 49.88 H new ATOM 74 N VAL A 5 27.949 34.201 11.628 1.00 49.53 N ATOM 75 CA VAL A 5 28.184 34.137 13.056 1.00 50.07 C ATOM 76 C VAL A 5 28.267 35.620 13.489 1.00 50.51 C ATOM 77 O VAL A 5 29.133 36.262 12.882 1.00 49.49 O ATOM 78 CB VAL A 5 29.492 33.403 13.408 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.704 33.388 14.914 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.473 31.985 12.859 1.00 49.73 C ATOM 0 H VAL A 5 28.745 34.539 11.087 1.00 49.53 H new ATOM 0 HA VAL A 5 27.398 33.578 13.563 1.00 50.07 H new ATOM 0 HB VAL A 5 30.322 33.939 12.947 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.632 32.866 15.146 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.762 34.412 15.284 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.870 32.876 15.394 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.405 31.482 13.117 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.634 31.439 13.291 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.366 32.016 11.775 1.00 49.73 H new ATOM 90 N LYS A 6 27.425 36.023 14.377 1.00 49.53 N ATOM 91 CA LYS A 6 27.413 37.460 14.817 1.00 50.07 C ATOM 92 C LYS A 6 27.972 37.665 16.200 1.00 50.51 C ATOM 93 O LYS A 6 27.584 36.947 17.150 1.00 49.49 O ATOM 94 CB LYS A 6 25.992 38.022 14.748 1.00 49.82 C ATOM 95 CG LYS A 6 25.824 39.389 15.396 1.00 49.82 C ATOM 96 CD LYS A 6 24.356 39.776 15.498 1.00 49.82 C ATOM 97 CE LYS A 6 24.186 41.142 16.147 1.00 50.21 C ATOM 98 NZ LYS A 6 22.755 41.542 16.238 1.00 49.70 N ATOM 0 H LYS A 6 26.732 35.427 14.831 1.00 49.53 H new ATOM 0 HA LYS A 6 28.065 37.997 14.128 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.692 38.090 13.702 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.313 37.319 15.230 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.270 39.380 16.391 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.360 40.138 14.814 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.911 39.786 14.503 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.820 39.026 16.079 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.622 41.126 17.146 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.735 41.888 15.572 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.684 42.478 16.686 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.345 41.583 15.283 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.235 40.845 16.809 1.00 49.70 H new ATOM 112 N THR A 7 28.884 38.650 16.357 1.00 49.53 N ATOM 113 CA THR A 7 29.472 38.908 17.680 1.00 50.07 C ATOM 114 C THR A 7 28.782 39.935 18.582 1.00 50.51 C ATOM 115 O THR A 7 27.780 40.503 18.143 1.00 49.49 O ATOM 116 CB THR A 7 30.949 39.323 17.540 1.00 50.14 C ATOM 117 OG1 THR A 7 31.051 40.438 16.645 1.00 49.34 O ATOM 118 CG2 THR A 7 31.779 38.167 17.003 1.00 49.73 C ATOM 0 H THR A 7 29.217 39.258 15.609 1.00 49.53 H new ATOM 0 HA THR A 7 29.336 37.950 18.183 1.00 50.07 H new ATOM 0 HB THR A 7 31.328 39.602 18.523 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.991 40.702 16.558 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.820 38.478 16.911 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.712 37.322 17.688 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.401 37.871 16.025 1.00 49.73 H new ATOM 126 N LEU A 8 29.336 40.207 19.744 1.00 49.53 N ATOM 127 CA LEU A 8 28.704 41.156 20.688 1.00 50.07 C ATOM 128 C LEU A 8 28.783 42.563 20.131 1.00 50.51 C ATOM 129 O LEU A 8 28.151 43.480 20.688 1.00 49.49 O ATOM 130 CB LEU A 8 29.386 41.078 22.060 1.00 49.82 C ATOM 131 CG LEU A 8 28.956 39.896 22.937 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.045 38.599 22.145 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.837 39.833 24.175 1.00 49.73 C ATOM 0 H LEU A 8 30.212 39.800 20.072 1.00 49.53 H new ATOM 0 HA LEU A 8 27.655 40.887 20.814 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.464 41.025 21.909 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.185 42.003 22.601 1.00 49.82 H new ATOM 0 HG LEU A 8 27.921 40.034 23.250 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.738 37.765 22.776 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.389 38.657 21.276 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.072 38.444 21.814 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.530 38.992 24.797 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.877 39.702 23.875 1.00 49.73 H new ATOM 0 HD23 LEU A 8 29.736 40.759 24.741 1.00 49.73 H new ATOM 145 N THR A 9 29.479 42.748 18.992 1.00 49.53 N ATOM 146 CA THR A 9 29.526 44.159 18.480 1.00 50.07 C ATOM 147 C THR A 9 28.865 44.473 17.173 1.00 50.51 C ATOM 148 O THR A 9 29.062 45.549 16.579 1.00 49.49 O ATOM 149 CB THR A 9 30.985 44.644 18.389 1.00 50.14 C ATOM 150 OG1 THR A 9 31.762 43.696 17.647 1.00 49.34 O ATOM 151 CG2 THR A 9 31.581 44.805 19.779 1.00 49.73 C ATOM 0 H THR A 9 29.970 42.037 18.450 1.00 49.53 H new ATOM 0 HA THR A 9 28.927 44.683 19.225 1.00 50.07 H new ATOM 0 HB THR A 9 31.000 45.610 17.884 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.689 44.007 17.589 1.00 49.34 H new ATOM 0 HG21 THR A 9 32.612 45.148 19.695 1.00 49.73 H new ATOM 0 HG22 THR A 9 31.000 45.536 20.342 1.00 49.73 H new ATOM 0 HG23 THR A 9 31.559 43.847 20.298 1.00 49.73 H new ATOM 159 N GLY A 10 28.129 43.554 16.627 1.00 49.53 N ATOM 160 CA GLY A 10 27.429 43.719 15.374 1.00 49.98 C ATOM 161 C GLY A 10 28.132 43.160 14.172 1.00 50.51 C ATOM 162 O GLY A 10 27.510 42.986 13.100 1.00 49.49 O ATOM 0 H GLY A 10 27.990 42.636 17.049 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.451 43.244 15.457 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.254 44.782 15.211 1.00 49.98 H new ATOM 166 N LYS A 11 29.400 42.875 14.321 1.00 49.53 N ATOM 167 CA LYS A 11 30.184 42.228 13.279 1.00 50.07 C ATOM 168 C LYS A 11 29.713 40.788 12.974 1.00 50.51 C ATOM 169 O LYS A 11 29.428 40.082 13.936 1.00 49.49 O ATOM 170 CB LYS A 11 31.665 42.217 13.661 1.00 49.82 C ATOM 171 CG LYS A 11 32.369 43.556 13.488 1.00 49.82 C ATOM 172 CD LYS A 11 33.881 43.390 13.479 1.00 49.82 C ATOM 173 CE LYS A 11 34.587 44.732 13.592 1.00 50.21 C ATOM 174 NZ LYS A 11 34.425 45.551 12.360 1.00 49.70 N ATOM 0 H LYS A 11 29.928 43.083 15.169 1.00 49.53 H new ATOM 0 HA LYS A 11 30.036 42.813 12.371 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.757 41.903 14.701 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.178 41.470 13.056 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.047 44.021 12.556 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.080 44.228 14.296 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.183 42.748 14.306 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.188 42.892 12.560 1.00 49.82 H new ATOM 0 HE2 LYS A 11 34.190 45.280 14.447 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.648 44.569 13.782 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.921 46.457 12.478 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 34.826 45.040 11.548 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.414 45.729 12.192 1.00 49.70 H new ATOM 188 N THR A 12 29.707 40.428 11.704 1.00 49.53 N ATOM 189 CA THR A 12 29.345 39.033 11.388 1.00 50.07 C ATOM 190 C THR A 12 30.387 38.466 10.425 1.00 50.51 C ATOM 191 O THR A 12 31.088 39.290 9.831 1.00 49.49 O ATOM 192 CB THR A 12 27.946 38.931 10.752 1.00 50.14 C ATOM 193 OG1 THR A 12 27.968 39.522 9.446 1.00 49.34 O ATOM 194 CG2 THR A 12 26.916 39.648 11.611 1.00 49.73 C ATOM 0 H THR A 12 29.931 41.028 10.910 1.00 49.53 H new ATOM 0 HA THR A 12 29.324 38.463 12.317 1.00 50.07 H new ATOM 0 HB THR A 12 27.673 37.878 10.678 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.078 39.455 9.042 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.934 39.565 11.146 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.888 39.193 12.601 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.187 40.700 11.702 1.00 49.73 H new ATOM 202 N ILE A 13 30.399 37.141 10.288 1.00 49.53 N ATOM 203 CA ILE A 13 31.420 36.609 9.337 1.00 50.07 C ATOM 204 C ILE A 13 30.768 35.706 8.326 1.00 50.51 C ATOM 205 O ILE A 13 29.556 35.434 8.428 1.00 49.49 O ATOM 206 CB ILE A 13 32.531 35.835 10.070 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.947 34.615 10.788 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.250 36.743 11.057 1.00 49.73 C ATOM 209 CD1 ILE A 13 32.993 33.673 11.339 1.00 49.73 C ATOM 0 H ILE A 13 29.795 36.466 10.756 1.00 49.53 H new ATOM 0 HA ILE A 13 31.872 37.463 8.833 1.00 50.07 H new ATOM 0 HB ILE A 13 33.255 35.487 9.333 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.312 34.956 11.605 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.308 34.068 10.094 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.032 36.180 11.566 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.696 37.581 10.522 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.537 37.119 11.791 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.503 32.834 11.833 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.614 33.302 10.524 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.617 34.203 12.058 1.00 49.73 H new ATOM 221 N THR A 14 31.490 35.303 7.305 1.00 49.53 N ATOM 222 CA THR A 14 30.842 34.372 6.334 1.00 50.07 C ATOM 223 C THR A 14 31.469 33.006 6.418 1.00 50.51 C ATOM 224 O THR A 14 32.712 32.868 6.277 1.00 49.49 O ATOM 225 CB THR A 14 30.951 34.892 4.889 1.00 50.14 C ATOM 226 OG1 THR A 14 32.305 35.280 4.619 1.00 49.34 O ATOM 227 CG2 THR A 14 30.034 36.089 4.681 1.00 49.73 C ATOM 0 H THR A 14 32.456 35.565 7.109 1.00 49.53 H new ATOM 0 HA THR A 14 29.787 34.310 6.600 1.00 50.07 H new ATOM 0 HB THR A 14 30.651 34.095 4.209 1.00 50.14 H new ATOM 0 HG1 THR A 14 32.918 34.641 5.039 1.00 49.34 H new ATOM 0 HG21 THR A 14 30.125 36.443 3.654 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.002 35.795 4.874 1.00 49.73 H new ATOM 0 HG23 THR A 14 30.317 36.888 5.366 1.00 49.73 H new ATOM 235 N LEU A 15 30.677 31.956 6.574 1.00 49.53 N ATOM 236 CA LEU A 15 31.191 30.608 6.680 1.00 50.07 C ATOM 237 C LEU A 15 30.606 29.573 5.712 1.00 50.51 C ATOM 238 O LEU A 15 29.387 29.469 5.726 1.00 49.49 O ATOM 239 CB LEU A 15 31.015 30.110 8.120 1.00 49.82 C ATOM 240 CG LEU A 15 31.856 30.845 9.172 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.635 30.222 10.545 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.325 30.785 8.782 1.00 49.73 C ATOM 0 H LEU A 15 29.661 32.019 6.630 1.00 49.53 H new ATOM 0 HA LEU A 15 32.239 30.692 6.392 1.00 50.07 H new ATOM 0 HB2 LEU A 15 29.963 30.198 8.392 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.265 29.050 8.154 1.00 49.82 H new ATOM 0 HG LEU A 15 31.549 31.890 9.218 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.236 30.750 11.285 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.581 30.297 10.813 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.930 29.173 10.520 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.922 31.307 9.530 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.644 29.744 8.725 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.463 31.260 7.811 1.00 49.73 H new ATOM 254 N GLU A 16 31.484 28.779 5.145 1.00 49.53 N ATOM 255 CA GLU A 16 30.950 27.663 4.298 1.00 50.07 C ATOM 256 C GLU A 16 31.375 26.299 4.801 1.00 50.51 C ATOM 257 O GLU A 16 32.536 25.933 4.629 1.00 49.49 O ATOM 258 CB GLU A 16 31.393 27.841 2.844 1.00 49.82 C ATOM 259 CG GLU A 16 30.822 26.810 1.881 1.00 49.72 C ATOM 260 CD GLU A 16 31.280 27.064 0.473 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.465 27.042 0.241 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.445 27.171 -0.393 1.00 49.24 O ATOM 0 H GLU A 16 32.499 28.847 5.224 1.00 49.53 H new ATOM 0 HA GLU A 16 29.863 27.710 4.360 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.101 28.836 2.507 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.481 27.797 2.801 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.129 25.811 2.191 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.733 26.836 1.921 1.00 49.72 H new ATOM 269 N VAL A 17 30.426 25.688 5.495 1.00 49.53 N ATOM 270 CA VAL A 17 30.639 24.383 6.109 1.00 50.07 C ATOM 271 C VAL A 17 30.011 23.180 5.388 1.00 50.51 C ATOM 272 O VAL A 17 29.346 23.316 4.336 1.00 49.49 O ATOM 273 CB VAL A 17 30.139 24.380 7.567 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.825 25.477 8.367 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.629 24.555 7.613 1.00 49.73 C ATOM 0 H VAL A 17 29.495 26.077 5.648 1.00 49.53 H new ATOM 0 HA VAL A 17 31.718 24.248 6.041 1.00 50.07 H new ATOM 0 HB VAL A 17 30.389 23.418 8.014 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.460 25.461 9.394 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.902 25.312 8.362 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.605 26.446 7.919 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.294 24.550 8.650 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.358 25.503 7.148 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.151 23.737 7.074 1.00 49.73 H new ATOM 285 N GLU A 18 30.374 22.036 5.924 1.00 49.53 N ATOM 286 CA GLU A 18 29.837 20.740 5.506 1.00 50.07 C ATOM 287 C GLU A 18 28.946 20.109 6.566 1.00 50.51 C ATOM 288 O GLU A 18 29.067 20.392 7.747 1.00 49.49 O ATOM 289 CB GLU A 18 30.977 19.783 5.149 1.00 49.82 C ATOM 290 CG GLU A 18 31.658 20.083 3.822 1.00 49.72 C ATOM 291 CD GLU A 18 32.739 19.082 3.523 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.958 18.214 4.332 1.00 49.24 O ATOM 293 OE2 GLU A 18 33.268 19.116 2.437 1.00 49.24 O ATOM 0 H GLU A 18 31.061 21.968 6.675 1.00 49.53 H new ATOM 0 HA GLU A 18 29.219 20.921 4.627 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.724 19.815 5.942 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.586 18.766 5.121 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.919 20.073 3.021 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.085 21.085 3.849 1.00 49.72 H new ATOM 300 N PRO A 19 28.015 19.274 6.144 1.00 49.71 N ATOM 301 CA PRO A 19 27.122 18.560 7.059 1.00 50.02 C ATOM 302 C PRO A 19 27.888 17.775 8.095 1.00 50.51 C ATOM 303 O PRO A 19 27.370 17.442 9.170 1.00 49.49 O ATOM 304 CB PRO A 19 26.320 17.623 6.129 1.00 49.82 C ATOM 305 CG PRO A 19 26.299 18.374 4.839 1.00 49.82 C ATOM 306 CD PRO A 19 27.745 18.924 4.727 1.00 50.00 C ATOM 0 HA PRO A 19 26.488 19.237 7.631 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.801 16.651 6.023 1.00 49.82 H new ATOM 0 HB3 PRO A 19 25.314 17.442 6.508 1.00 49.82 H new ATOM 0 HG2 PRO A 19 26.048 17.726 3.999 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.562 19.177 4.852 1.00 49.82 H new ATOM 0 HD2 PRO A 19 28.443 18.179 4.344 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.809 19.789 4.067 1.00 50.00 H new ATOM 314 N SER A 20 29.121 17.413 7.783 1.00 49.53 N ATOM 315 CA SER A 20 29.917 16.598 8.714 1.00 50.07 C ATOM 316 C SER A 20 30.612 17.375 9.807 1.00 50.51 C ATOM 317 O SER A 20 30.982 16.759 10.821 1.00 49.49 O ATOM 318 CB SER A 20 30.939 15.792 7.936 1.00 50.05 C ATOM 319 OG SER A 20 30.355 14.705 7.270 1.00 49.34 O ATOM 0 H SER A 20 29.594 17.659 6.913 1.00 49.53 H new ATOM 0 HA SER A 20 29.202 15.951 9.223 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.434 16.438 7.211 1.00 50.05 H new ATOM 0 HB3 SER A 20 31.709 15.429 8.617 1.00 50.05 H new ATOM 0 HG SER A 20 31.046 14.212 6.779 1.00 49.34 H new ATOM 325 N ASP A 21 30.907 18.651 9.543 1.00 49.53 N ATOM 326 CA ASP A 21 31.611 19.423 10.600 1.00 50.07 C ATOM 327 C ASP A 21 30.932 19.395 11.945 1.00 50.51 C ATOM 328 O ASP A 21 29.709 19.616 12.048 1.00 49.49 O ATOM 329 CB ASP A 21 31.798 20.874 10.153 1.00 49.72 C ATOM 330 CG ASP A 21 32.547 21.036 8.838 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.587 20.437 8.691 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.003 21.626 7.936 1.00 49.24 O ATOM 0 H ASP A 21 30.695 19.152 8.680 1.00 49.53 H new ATOM 0 HA ASP A 21 32.574 18.930 10.733 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.818 21.341 10.059 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.335 21.415 10.932 1.00 49.72 H new ATOM 337 N THR A 22 31.730 19.266 12.991 1.00 49.53 N ATOM 338 CA THR A 22 31.239 19.312 14.349 1.00 50.07 C ATOM 339 C THR A 22 31.462 20.796 14.726 1.00 50.51 C ATOM 340 O THR A 22 32.092 21.533 13.963 1.00 49.49 O ATOM 341 CB THR A 22 32.022 18.388 15.299 1.00 50.14 C ATOM 342 OG1 THR A 22 33.375 18.848 15.411 1.00 49.34 O ATOM 343 CG2 THR A 22 32.017 16.959 14.778 1.00 49.73 C ATOM 0 H THR A 22 32.738 19.126 12.918 1.00 49.53 H new ATOM 0 HA THR A 22 30.207 18.972 14.431 1.00 50.07 H new ATOM 0 HB THR A 22 31.543 18.408 16.278 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.871 18.260 16.017 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.575 16.320 15.462 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.990 16.602 14.705 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.482 16.929 13.793 1.00 49.73 H new ATOM 351 N ILE A 23 30.930 21.124 15.905 1.00 49.53 N ATOM 352 CA ILE A 23 31.118 22.456 16.468 1.00 50.07 C ATOM 353 C ILE A 23 32.607 22.803 16.534 1.00 50.51 C ATOM 354 O ILE A 23 33.034 23.942 16.274 1.00 49.49 O ATOM 355 CB ILE A 23 30.508 22.570 17.878 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.985 22.431 17.813 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.899 23.890 18.523 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.332 23.348 16.803 1.00 49.73 C ATOM 0 H ILE A 23 30.373 20.492 16.480 1.00 49.53 H new ATOM 0 HA ILE A 23 30.604 23.158 15.812 1.00 50.07 H new ATOM 0 HB ILE A 23 30.902 21.760 18.492 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.734 21.399 17.569 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.568 22.636 18.799 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.459 23.953 19.518 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.985 23.949 18.602 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.534 24.716 17.912 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.253 23.192 16.814 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.552 24.385 17.057 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.720 23.129 15.808 1.00 49.73 H new ATOM 370 N GLU A 24 33.403 21.870 17.002 1.00 49.53 N ATOM 371 CA GLU A 24 34.888 22.090 17.043 1.00 50.07 C ATOM 372 C GLU A 24 35.505 22.481 15.722 1.00 50.51 C ATOM 373 O GLU A 24 36.342 23.413 15.646 1.00 49.49 O ATOM 374 CB GLU A 24 35.586 20.838 17.578 1.00 49.82 C ATOM 375 CG GLU A 24 37.104 20.869 17.466 1.00 49.72 C ATOM 376 CD GLU A 24 37.684 22.033 18.219 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.963 22.655 18.961 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.874 22.232 18.139 1.00 49.24 O ATOM 0 H GLU A 24 33.091 20.966 17.357 1.00 49.53 H new ATOM 0 HA GLU A 24 35.037 22.940 17.709 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.314 20.704 18.625 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.211 19.969 17.037 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.518 19.939 17.855 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.392 20.932 16.417 1.00 49.72 H new ATOM 385 N ASN A 25 35.147 21.768 14.667 1.00 49.53 N ATOM 386 CA ASN A 25 35.649 21.996 13.306 1.00 50.07 C ATOM 387 C ASN A 25 35.366 23.420 12.829 1.00 50.51 C ATOM 388 O ASN A 25 36.208 24.046 12.151 1.00 49.49 O ATOM 389 CB ASN A 25 35.066 20.993 12.327 1.00 49.82 C ATOM 390 CG ASN A 25 35.864 19.724 12.213 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.973 19.615 12.749 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.344 18.796 11.451 1.00 49.38 N ATOM 0 H ASN A 25 34.484 20.995 14.726 1.00 49.53 H new ATOM 0 HA ASN A 25 36.730 21.859 13.342 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.050 20.746 12.636 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.996 21.457 11.343 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.858 17.933 11.276 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.424 18.936 11.032 1.00 49.38 H new ATOM 399 N VAL A 26 34.178 23.885 13.184 1.00 49.53 N ATOM 400 CA VAL A 26 33.774 25.242 12.830 1.00 50.07 C ATOM 401 C VAL A 26 34.484 26.284 13.687 1.00 50.51 C ATOM 402 O VAL A 26 35.084 27.235 13.175 1.00 49.49 O ATOM 403 CB VAL A 26 32.251 25.430 12.970 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.878 26.894 12.793 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.513 24.567 11.958 1.00 49.73 C ATOM 0 H VAL A 26 33.484 23.354 13.709 1.00 49.53 H new ATOM 0 HA VAL A 26 34.060 25.387 11.788 1.00 50.07 H new ATOM 0 HB VAL A 26 31.955 25.117 13.971 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.799 27.009 12.895 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.380 27.492 13.553 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.187 27.231 11.804 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.439 24.712 12.071 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.814 24.851 10.950 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.757 23.518 12.127 1.00 49.73 H new ATOM 415 N LYS A 27 34.444 26.078 14.998 1.00 49.53 N ATOM 416 CA LYS A 27 35.088 27.016 15.929 1.00 50.07 C ATOM 417 C LYS A 27 36.539 27.064 15.481 1.00 50.51 C ATOM 418 O LYS A 27 37.197 28.119 15.667 1.00 49.49 O ATOM 419 CB LYS A 27 34.970 26.537 17.377 1.00 49.82 C ATOM 420 CG LYS A 27 33.503 26.805 17.869 1.00 49.82 C ATOM 421 CD LYS A 27 33.429 26.471 19.346 1.00 49.82 C ATOM 422 CE LYS A 27 32.024 26.730 19.884 1.00 50.21 C ATOM 423 NZ LYS A 27 32.037 26.362 21.339 1.00 49.70 N ATOM 0 H LYS A 27 33.982 25.285 15.442 1.00 49.53 H new ATOM 0 HA LYS A 27 34.618 27.999 15.909 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.205 25.475 17.446 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.685 27.063 18.010 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.230 27.847 17.701 1.00 49.82 H new ATOM 0 HG3 LYS A 27 32.796 26.196 17.306 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.698 25.426 19.502 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.152 27.072 19.897 1.00 49.82 H new ATOM 0 HE2 LYS A 27 31.748 27.776 19.753 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.288 26.136 19.342 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.060 26.278 21.685 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.527 25.453 21.463 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 32.533 27.099 21.879 1.00 49.70 H new ATOM 437 N ALA A 28 37.049 25.988 14.919 1.00 49.53 N ATOM 438 CA ALA A 28 38.419 25.956 14.391 1.00 50.07 C ATOM 439 C ALA A 28 38.513 26.644 13.042 1.00 50.51 C ATOM 440 O ALA A 28 39.601 27.206 12.675 1.00 49.49 O ATOM 441 CB ALA A 28 38.919 24.503 14.291 1.00 49.73 C ATOM 0 H ALA A 28 36.539 25.111 14.810 1.00 49.53 H new ATOM 0 HA ALA A 28 39.057 26.503 15.085 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.936 24.494 13.898 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.908 24.046 15.280 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.267 23.939 13.624 1.00 49.73 H new ATOM 447 N LYS A 29 37.445 26.679 12.260 1.00 49.53 N ATOM 448 CA LYS A 29 37.446 27.407 10.974 1.00 50.07 C ATOM 449 C LYS A 29 37.443 28.908 11.318 1.00 50.51 C ATOM 450 O LYS A 29 38.113 29.756 10.681 1.00 49.49 O ATOM 451 CB LYS A 29 36.227 27.037 10.128 1.00 49.82 C ATOM 452 CG LYS A 29 36.205 27.673 8.744 1.00 49.82 C ATOM 453 CD LYS A 29 37.404 27.236 7.916 1.00 49.82 C ATOM 454 CE LYS A 29 37.319 25.763 7.549 1.00 50.21 C ATOM 455 NZ LYS A 29 38.499 25.315 6.762 1.00 49.70 N ATOM 0 H LYS A 29 36.563 26.217 12.481 1.00 49.53 H new ATOM 0 HA LYS A 29 38.322 27.144 10.382 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.192 25.953 10.017 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.325 27.331 10.664 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.285 27.397 8.229 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.203 28.759 8.840 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.459 27.836 7.008 1.00 49.82 H new ATOM 0 HD3 LYS A 29 38.321 27.421 8.476 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.242 25.167 8.458 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.411 25.585 6.973 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.401 24.305 6.533 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.558 25.866 5.882 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 39.364 25.460 7.320 1.00 49.70 H new ATOM 469 N ILE A 30 36.728 29.250 12.390 1.00 49.53 N ATOM 470 CA ILE A 30 36.665 30.664 12.801 1.00 50.07 C ATOM 471 C ILE A 30 38.096 31.088 13.158 1.00 50.51 C ATOM 472 O ILE A 30 38.452 32.276 12.984 1.00 49.49 O ATOM 473 CB ILE A 30 35.737 30.878 14.011 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.273 30.717 13.597 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.973 32.249 14.627 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.331 30.488 14.758 1.00 49.73 C ATOM 0 H ILE A 30 36.201 28.601 12.974 1.00 49.53 H new ATOM 0 HA ILE A 30 36.255 31.263 11.987 1.00 50.07 H new ATOM 0 HB ILE A 30 35.966 30.121 14.761 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.958 31.610 13.056 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.191 29.879 12.904 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.309 32.383 15.481 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.009 32.326 14.957 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.771 33.021 13.885 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.312 30.383 14.385 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.619 29.579 15.286 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.382 31.336 15.441 1.00 49.73 H new ATOM 488 N GLN A 31 38.888 30.205 13.712 1.00 49.53 N ATOM 489 CA GLN A 31 40.287 30.616 14.048 1.00 50.07 C ATOM 490 C GLN A 31 41.008 31.258 12.851 1.00 50.51 C ATOM 491 O GLN A 31 41.527 32.398 12.839 1.00 49.49 O ATOM 492 CB GLN A 31 41.091 29.410 14.543 1.00 49.82 C ATOM 493 CG GLN A 31 42.522 29.735 14.935 1.00 49.82 C ATOM 494 CD GLN A 31 43.184 28.603 15.698 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.600 27.531 15.876 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.408 28.838 16.158 1.00 49.38 N ATOM 0 H GLN A 31 38.638 29.243 13.941 1.00 49.53 H new ATOM 0 HA GLN A 31 40.219 31.365 14.837 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.581 28.975 15.402 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.104 28.650 13.761 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.101 29.952 14.038 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.532 30.637 15.547 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.853 29.740 15.987 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.903 28.117 16.682 1.00 49.38 H new ATOM 505 N ASP A 32 41.099 30.468 11.808 1.00 49.53 N ATOM 506 CA ASP A 32 41.749 30.940 10.563 1.00 50.07 C ATOM 507 C ASP A 32 41.245 32.258 10.015 1.00 50.51 C ATOM 508 O ASP A 32 41.999 33.127 9.516 1.00 49.49 O ATOM 509 CB ASP A 32 41.631 29.866 9.479 1.00 49.72 C ATOM 510 CG ASP A 32 42.619 28.717 9.623 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.800 28.963 9.561 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.196 27.633 9.948 1.00 49.24 O ATOM 0 H ASP A 32 40.746 29.512 11.774 1.00 49.53 H new ATOM 0 HA ASP A 32 42.786 31.123 10.844 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.619 29.463 9.493 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.775 30.333 8.505 1.00 49.72 H new ATOM 517 N LYS A 33 39.918 32.477 10.053 1.00 49.53 N ATOM 518 CA LYS A 33 39.435 33.733 9.419 1.00 50.07 C ATOM 519 C LYS A 33 39.673 34.952 10.240 1.00 50.51 C ATOM 520 O LYS A 33 40.033 36.008 9.614 1.00 49.49 O ATOM 521 CB LYS A 33 37.946 33.618 9.091 1.00 49.82 C ATOM 522 CG LYS A 33 37.592 32.455 8.174 1.00 49.82 C ATOM 523 CD LYS A 33 38.426 32.479 6.902 1.00 49.82 C ATOM 524 CE LYS A 33 37.931 33.543 5.934 1.00 50.21 C ATOM 525 NZ LYS A 33 38.699 33.536 4.659 1.00 49.70 N ATOM 0 H LYS A 33 39.213 31.870 10.471 1.00 49.53 H new ATOM 0 HA LYS A 33 40.020 33.853 8.507 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.388 33.514 10.022 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.616 34.546 8.624 1.00 49.82 H new ATOM 0 HG2 LYS A 33 37.753 31.513 8.699 1.00 49.82 H new ATOM 0 HG3 LYS A 33 36.533 32.500 7.918 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.469 32.670 7.153 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.388 31.501 6.421 1.00 49.82 H new ATOM 0 HE2 LYS A 33 36.875 33.377 5.722 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.012 34.524 6.401 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.330 34.276 4.028 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 39.703 33.719 4.858 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.601 32.608 4.200 1.00 49.70 H new ATOM 539 N GLU A 34 39.656 34.945 11.543 1.00 49.53 N ATOM 540 CA GLU A 34 39.882 36.097 12.386 1.00 50.07 C ATOM 541 C GLU A 34 41.064 35.986 13.316 1.00 50.51 C ATOM 542 O GLU A 34 41.744 36.987 13.561 1.00 49.49 O ATOM 543 CB GLU A 34 38.623 36.399 13.203 1.00 49.82 C ATOM 544 CG GLU A 34 37.474 36.980 12.392 1.00 49.72 C ATOM 545 CD GLU A 34 37.939 38.107 11.512 1.00 50.62 C ATOM 546 OE1 GLU A 34 38.647 38.957 11.995 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.680 38.060 10.333 1.00 49.24 O ATOM 0 H GLU A 34 39.476 34.095 12.078 1.00 49.53 H new ATOM 0 HA GLU A 34 40.118 36.911 11.701 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.286 35.480 13.682 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.880 37.098 13.999 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.028 36.198 11.778 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.696 37.339 13.066 1.00 49.72 H new ATOM 554 N GLY A 35 41.282 34.817 13.897 1.00 49.53 N ATOM 555 CA GLY A 35 42.417 34.566 14.745 1.00 49.98 C ATOM 556 C GLY A 35 42.023 34.170 16.113 1.00 50.51 C ATOM 557 O GLY A 35 42.907 33.965 16.988 1.00 49.49 O ATOM 0 H GLY A 35 40.664 34.013 13.787 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.029 33.779 14.304 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.036 35.462 14.793 1.00 49.98 H new ATOM 561 N ILE A 36 40.724 33.919 16.346 1.00 49.53 N ATOM 562 CA ILE A 36 40.312 33.516 17.700 1.00 50.07 C ATOM 563 C ILE A 36 40.433 32.041 18.041 1.00 50.51 C ATOM 564 O ILE A 36 39.916 31.176 17.312 1.00 49.49 O ATOM 565 CB ILE A 36 38.862 33.953 17.977 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.739 35.477 17.904 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.402 33.443 19.334 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.314 35.978 17.936 1.00 49.73 C ATOM 0 H ILE A 36 39.976 33.983 15.655 1.00 49.53 H new ATOM 0 HA ILE A 36 41.032 34.028 18.338 1.00 50.07 H new ATOM 0 HB ILE A 36 38.218 33.519 17.212 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.287 35.916 18.737 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.216 35.827 16.989 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.375 33.761 19.513 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.453 32.354 19.350 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.048 33.848 20.113 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.310 37.067 17.881 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.765 35.569 17.087 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.837 35.660 18.863 1.00 49.73 H new ATOM 580 N PRO A 37 41.089 31.732 19.154 1.00 49.71 N ATOM 581 CA PRO A 37 41.255 30.348 19.633 1.00 50.02 C ATOM 582 C PRO A 37 39.908 29.674 19.820 1.00 50.51 C ATOM 583 O PRO A 37 39.000 30.314 20.411 1.00 49.49 O ATOM 584 CB PRO A 37 41.918 30.604 21.020 1.00 49.82 C ATOM 585 CG PRO A 37 42.713 31.857 20.801 1.00 49.82 C ATOM 586 CD PRO A 37 41.722 32.740 20.054 1.00 50.00 C ATOM 0 HA PRO A 37 41.818 29.702 18.959 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.172 30.734 21.804 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.555 29.772 21.320 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.031 32.307 21.741 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.614 31.671 20.216 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.001 33.211 20.722 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.214 33.540 19.500 1.00 50.00 H new ATOM 594 N PRO A 38 39.757 28.439 19.410 1.00 49.71 N ATOM 595 CA PRO A 38 38.464 27.752 19.557 1.00 50.02 C ATOM 596 C PRO A 38 37.973 27.699 20.980 1.00 50.51 C ATOM 597 O PRO A 38 36.745 27.728 21.265 1.00 49.49 O ATOM 598 CB PRO A 38 38.703 26.392 18.911 1.00 49.82 C ATOM 599 CG PRO A 38 39.780 26.691 17.871 1.00 49.82 C ATOM 600 CD PRO A 38 40.735 27.591 18.683 1.00 50.00 C ATOM 0 HA PRO A 38 37.645 28.283 19.071 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.038 25.653 19.639 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.796 25.998 18.452 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.271 25.786 17.514 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.377 27.201 16.996 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.370 27.018 19.359 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.396 28.176 18.044 1.00 50.00 H new ATOM 608 N ASP A 39 38.865 27.626 21.938 1.00 49.53 N ATOM 609 CA ASP A 39 38.458 27.513 23.365 1.00 50.07 C ATOM 610 C ASP A 39 37.952 28.834 23.930 1.00 50.51 C ATOM 611 O ASP A 39 37.217 28.899 24.954 1.00 49.49 O ATOM 612 CB ASP A 39 39.623 26.996 24.212 1.00 49.72 C ATOM 613 CG ASP A 39 40.838 27.915 24.235 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.787 28.952 23.617 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.744 27.650 24.990 1.00 49.24 O ATOM 0 H ASP A 39 39.873 27.641 21.784 1.00 49.53 H new ATOM 0 HA ASP A 39 37.633 26.802 23.406 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.275 26.847 25.234 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.927 26.020 23.833 1.00 49.72 H new ATOM 620 N GLN A 40 38.235 29.923 23.235 1.00 49.53 N ATOM 621 CA GLN A 40 37.752 31.241 23.708 1.00 50.07 C ATOM 622 C GLN A 40 36.452 31.637 22.982 1.00 50.51 C ATOM 623 O GLN A 40 36.022 32.776 23.115 1.00 49.49 O ATOM 624 CB GLN A 40 38.818 32.317 23.484 1.00 49.82 C ATOM 625 CG GLN A 40 40.164 32.000 24.113 1.00 49.82 C ATOM 626 CD GLN A 40 41.126 33.170 24.044 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.788 34.241 23.529 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.335 32.973 24.557 1.00 49.38 N ATOM 0 H GLN A 40 38.776 29.941 22.370 1.00 49.53 H new ATOM 0 HA GLN A 40 37.548 31.161 24.776 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.955 32.459 22.412 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.455 33.262 23.887 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.017 31.716 25.155 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.605 31.141 23.607 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.572 32.072 24.973 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.027 33.722 24.535 1.00 49.38 H new ATOM 637 N GLN A 41 35.870 30.733 22.226 1.00 49.53 N ATOM 638 CA GLN A 41 34.678 30.986 21.453 1.00 50.07 C ATOM 639 C GLN A 41 33.611 30.199 22.184 1.00 50.51 C ATOM 640 O GLN A 41 33.671 28.999 22.410 1.00 49.49 O ATOM 641 CB GLN A 41 34.830 30.493 19.990 1.00 49.82 C ATOM 642 CG GLN A 41 35.899 31.274 19.191 1.00 49.82 C ATOM 643 CD GLN A 41 35.988 30.742 17.786 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.980 30.223 17.276 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.119 30.821 17.122 1.00 49.38 N ATOM 0 H GLN A 41 36.222 29.780 22.130 1.00 49.53 H new ATOM 0 HA GLN A 41 34.448 32.049 21.374 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.091 29.435 19.996 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.870 30.582 19.482 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.646 32.334 19.171 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.868 31.186 19.683 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.936 31.250 17.556 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.180 30.453 16.173 1.00 49.38 H new ATOM 654 N ARG A 42 32.483 30.869 22.405 1.00 49.53 N ATOM 655 CA ARG A 42 31.269 30.188 22.958 1.00 50.07 C ATOM 656 C ARG A 42 30.195 30.361 21.906 1.00 50.51 C ATOM 657 O ARG A 42 29.765 31.568 21.707 1.00 49.49 O ATOM 658 CB ARG A 42 30.849 30.729 24.317 1.00 49.82 C ATOM 659 CG ARG A 42 29.838 29.872 25.062 1.00 49.82 C ATOM 660 CD ARG A 42 30.393 28.606 25.608 1.00 50.20 C ATOM 661 NE ARG A 42 29.436 27.798 26.345 1.00 49.30 N ATOM 662 CZ ARG A 42 29.624 26.507 26.682 1.00 50.64 C ATOM 663 NH1 ARG A 42 30.713 25.864 26.321 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.674 25.894 27.367 1.00 49.20 N ATOM 0 H ARG A 42 32.364 31.865 22.220 1.00 49.53 H new ATOM 0 HA ARG A 42 31.469 29.134 23.153 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.738 30.840 24.938 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.429 31.726 24.181 1.00 49.82 H new ATOM 0 HG2 ARG A 42 29.420 30.455 25.882 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.015 29.633 24.388 1.00 49.82 H new ATOM 0 HD2 ARG A 42 30.792 28.014 24.784 1.00 50.20 H new ATOM 0 HD3 ARG A 42 31.230 28.844 26.264 1.00 50.20 H new ATOM 0 HE ARG A 42 28.561 28.239 26.627 1.00 49.30 H new ATOM 0 HH11 ARG A 42 31.431 26.343 25.777 1.00 49.20 H new ATOM 0 HH12 ARG A 42 30.839 24.887 26.585 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.826 26.398 27.627 1.00 49.20 H new ATOM 0 HH22 ARG A 42 28.789 24.917 27.636 1.00 49.20 H new ATOM 678 N LEU A 43 29.805 29.310 21.189 1.00 49.53 N ATOM 679 CA LEU A 43 28.795 29.452 20.109 1.00 50.07 C ATOM 680 C LEU A 43 27.412 28.940 20.501 1.00 50.51 C ATOM 681 O LEU A 43 27.301 27.787 20.937 1.00 49.49 O ATOM 682 CB LEU A 43 29.279 28.731 18.845 1.00 49.82 C ATOM 683 CG LEU A 43 30.453 29.402 18.121 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.893 28.551 16.939 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.041 30.792 17.661 1.00 49.73 C ATOM 0 H LEU A 43 30.157 28.362 21.322 1.00 49.53 H new ATOM 0 HA LEU A 43 28.689 30.520 19.920 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.571 27.716 19.114 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.443 28.649 18.150 1.00 49.82 H new ATOM 0 HG LEU A 43 31.296 29.496 18.806 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.727 29.036 16.432 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.206 27.569 17.294 1.00 49.73 H new ATOM 0 HD13 LEU A 43 30.062 28.437 16.243 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.876 31.268 17.147 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.193 30.714 16.981 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.758 31.392 18.526 1.00 49.73 H new ATOM 697 N ILE A 44 26.425 29.827 20.425 1.00 49.53 N ATOM 698 CA ILE A 44 25.052 29.522 20.810 1.00 50.07 C ATOM 699 C ILE A 44 23.916 29.671 19.804 1.00 50.51 C ATOM 700 O ILE A 44 23.676 30.721 19.245 1.00 49.49 O ATOM 701 CB ILE A 44 24.664 30.333 22.059 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.669 30.087 23.187 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.256 29.977 22.509 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.651 31.150 24.263 1.00 49.73 C ATOM 0 H ILE A 44 26.556 30.782 20.093 1.00 49.53 H new ATOM 0 HA ILE A 44 25.124 28.444 20.955 1.00 50.07 H new ATOM 0 HB ILE A 44 24.684 31.393 21.805 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.460 29.119 23.642 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.671 30.030 22.762 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.998 30.560 23.393 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.551 30.201 21.709 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.208 28.915 22.748 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.389 30.907 25.027 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.890 32.118 23.822 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.661 31.192 24.716 1.00 49.73 H new ATOM 716 N PHE A 45 23.181 28.542 19.612 1.00 49.53 N ATOM 717 CA PHE A 45 22.016 28.527 18.713 1.00 50.07 C ATOM 718 C PHE A 45 20.655 28.390 19.421 1.00 50.51 C ATOM 719 O PHE A 45 20.455 27.564 20.311 1.00 49.49 O ATOM 720 CB PHE A 45 22.169 27.406 17.684 1.00 49.82 C ATOM 721 CG PHE A 45 21.083 27.384 16.646 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.689 28.551 16.009 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.452 26.197 16.305 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.690 28.532 15.054 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.455 26.175 15.349 1.00 49.88 C ATOM 726 CZ PHE A 45 19.074 27.345 14.723 1.00 49.88 C ATOM 0 H PHE A 45 23.378 27.649 20.064 1.00 49.53 H new ATOM 0 HA PHE A 45 22.006 29.506 18.233 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.133 27.512 17.186 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.182 26.448 18.203 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.168 29.485 16.262 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.744 25.279 16.793 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.392 29.449 14.567 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.974 25.243 15.091 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.295 27.330 13.975 1.00 49.88 H new ATOM 736 N ALA A 46 19.794 29.293 19.018 1.00 49.53 N ATOM 737 CA ALA A 46 18.397 29.351 19.495 1.00 50.07 C ATOM 738 C ALA A 46 18.315 29.403 21.014 1.00 50.51 C ATOM 739 O ALA A 46 17.408 28.834 21.639 1.00 49.49 O ATOM 740 CB ALA A 46 17.623 28.183 18.973 1.00 49.73 C ATOM 0 H ALA A 46 20.027 30.023 18.344 1.00 49.53 H new ATOM 0 HA ALA A 46 17.958 30.273 19.113 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.595 28.238 19.332 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.628 28.201 17.883 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.081 27.258 19.323 1.00 49.73 H new ATOM 746 N GLY A 47 19.307 30.022 21.584 1.00 49.53 N ATOM 747 CA GLY A 47 19.535 30.240 22.982 1.00 49.98 C ATOM 748 C GLY A 47 20.088 29.030 23.691 1.00 50.51 C ATOM 749 O GLY A 47 20.330 29.089 24.916 1.00 49.49 O ATOM 0 H GLY A 47 20.054 30.429 21.021 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.228 31.073 23.105 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.598 30.533 23.455 1.00 49.98 H new ATOM 753 N LYS A 48 20.346 27.966 22.980 1.00 49.53 N ATOM 754 CA LYS A 48 20.932 26.752 23.560 1.00 50.07 C ATOM 755 C LYS A 48 22.464 26.622 23.468 1.00 50.51 C ATOM 756 O LYS A 48 22.970 26.522 22.360 1.00 49.49 O ATOM 757 CB LYS A 48 20.286 25.516 22.931 1.00 49.82 C ATOM 758 CG LYS A 48 20.781 24.191 23.495 1.00 49.82 C ATOM 759 CD LYS A 48 19.925 23.030 23.012 1.00 49.82 C ATOM 760 CE LYS A 48 18.528 23.084 23.612 1.00 50.21 C ATOM 761 NZ LYS A 48 17.690 21.935 23.175 1.00 49.70 N ATOM 0 H LYS A 48 20.162 27.900 21.979 1.00 49.53 H new ATOM 0 HA LYS A 48 20.719 26.832 24.626 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.206 25.575 23.070 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.471 25.531 21.857 1.00 49.82 H new ATOM 0 HG2 LYS A 48 21.817 24.031 23.196 1.00 49.82 H new ATOM 0 HG3 LYS A 48 20.765 24.229 24.584 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.857 23.054 21.924 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.402 22.088 23.281 1.00 49.82 H new ATOM 0 HE2 LYS A 48 18.600 23.087 24.700 1.00 50.21 H new ATOM 0 HE3 LYS A 48 18.044 24.017 23.322 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.746 22.010 23.606 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.599 21.946 22.139 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 18.138 21.045 23.474 1.00 49.70 H new ATOM 775 N GLN A 49 23.143 26.612 24.583 1.00 49.53 N ATOM 776 CA GLN A 49 24.613 26.370 24.564 1.00 50.07 C ATOM 777 C GLN A 49 24.971 25.124 23.756 1.00 50.51 C ATOM 778 O GLN A 49 24.449 24.027 24.080 1.00 49.49 O ATOM 779 CB GLN A 49 25.150 26.229 25.990 1.00 49.82 C ATOM 780 CG GLN A 49 24.690 24.971 26.707 1.00 49.82 C ATOM 781 CD GLN A 49 25.231 24.881 28.121 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.402 24.554 28.333 1.00 49.45 O ATOM 783 NE2 GLN A 49 24.378 25.165 29.100 1.00 49.38 N ATOM 0 H GLN A 49 22.741 26.761 25.509 1.00 49.53 H new ATOM 0 HA GLN A 49 25.077 27.231 24.084 1.00 50.07 H new ATOM 0 HB2 GLN A 49 26.240 26.238 25.959 1.00 49.82 H new ATOM 0 HB3 GLN A 49 24.841 27.098 26.570 1.00 49.82 H new ATOM 0 HG2 GLN A 49 23.601 24.950 26.736 1.00 49.82 H new ATOM 0 HG3 GLN A 49 25.011 24.096 26.142 1.00 49.82 H new ATOM 0 HE21 GLN A 49 23.418 25.431 28.879 1.00 49.38 H new ATOM 0 HE22 GLN A 49 24.683 25.117 30.072 1.00 49.38 H new ATOM 792 N LEU A 50 25.762 25.272 22.720 1.00 49.53 N ATOM 793 CA LEU A 50 26.102 24.156 21.822 1.00 50.07 C ATOM 794 C LEU A 50 27.249 23.320 22.363 1.00 50.51 C ATOM 795 O LEU A 50 28.288 23.891 22.628 1.00 49.49 O ATOM 796 CB LEU A 50 26.448 24.690 20.426 1.00 49.82 C ATOM 797 CG LEU A 50 25.359 25.547 19.768 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.770 25.911 18.346 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.041 24.788 19.771 1.00 49.73 C ATOM 0 H LEU A 50 26.195 26.159 22.463 1.00 49.53 H new ATOM 0 HA LEU A 50 25.228 23.508 21.756 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.361 25.282 20.496 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.666 23.844 19.774 1.00 49.82 H new ATOM 0 HG LEU A 50 25.232 26.470 20.334 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.991 26.519 17.887 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.703 26.474 18.370 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.910 25.000 17.763 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.269 25.398 19.303 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.155 23.858 19.214 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.753 24.563 20.798 1.00 49.73 H new ATOM 811 N GLU A 51 27.057 22.004 22.453 1.00 49.53 N ATOM 812 CA GLU A 51 28.106 21.128 23.017 1.00 50.07 C ATOM 813 C GLU A 51 29.300 20.776 22.172 1.00 50.51 C ATOM 814 O GLU A 51 29.152 20.624 20.962 1.00 49.49 O ATOM 815 CB GLU A 51 27.465 19.831 23.515 1.00 49.82 C ATOM 816 CG GLU A 51 28.434 18.865 24.181 1.00 49.72 C ATOM 817 CD GLU A 51 27.724 17.639 24.683 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.528 17.566 24.536 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.389 16.725 25.112 1.00 49.24 O ATOM 0 H GLU A 51 26.210 21.522 22.153 1.00 49.53 H new ATOM 0 HA GLU A 51 28.532 21.751 23.803 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.675 20.080 24.223 1.00 49.82 H new ATOM 0 HB3 GLU A 51 26.991 19.328 22.672 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.207 18.574 23.470 1.00 49.72 H new ATOM 0 HG3 GLU A 51 28.935 19.363 25.011 1.00 49.72 H new ATOM 826 N ASP A 52 30.474 20.633 22.734 1.00 49.53 N ATOM 827 CA ASP A 52 31.735 20.379 22.044 1.00 50.07 C ATOM 828 C ASP A 52 31.732 19.441 20.849 1.00 50.51 C ATOM 829 O ASP A 52 32.414 19.757 19.833 1.00 49.49 O ATOM 830 CB ASP A 52 32.773 19.881 23.052 1.00 49.72 C ATOM 831 CG ASP A 52 33.530 20.988 23.773 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.990 21.892 23.116 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.509 21.006 24.981 1.00 49.24 O ATOM 0 H ASP A 52 30.593 20.693 23.745 1.00 49.53 H new ATOM 0 HA ASP A 52 31.972 21.350 21.609 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.272 19.258 23.793 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.490 19.245 22.533 1.00 49.72 H new ATOM 838 N GLY A 53 31.119 18.286 20.978 1.00 49.53 N ATOM 839 CA GLY A 53 31.078 17.244 19.934 1.00 49.98 C ATOM 840 C GLY A 53 29.791 17.098 19.193 1.00 50.51 C ATOM 841 O GLY A 53 29.522 16.042 18.577 1.00 49.49 O ATOM 0 H GLY A 53 30.618 18.023 21.826 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.867 17.453 19.211 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.316 16.287 20.397 1.00 49.98 H new ATOM 845 N ARG A 54 28.950 18.126 19.144 1.00 49.53 N ATOM 846 CA ARG A 54 27.695 18.083 18.367 1.00 50.07 C ATOM 847 C ARG A 54 27.895 18.650 16.969 1.00 50.51 C ATOM 848 O ARG A 54 28.755 19.529 16.757 1.00 49.49 O ATOM 849 CB ARG A 54 26.548 18.773 19.090 1.00 49.82 C ATOM 850 CG ARG A 54 26.276 18.260 20.495 1.00 49.82 C ATOM 851 CD ARG A 54 25.861 16.835 20.557 1.00 50.20 C ATOM 852 NE ARG A 54 25.628 16.333 21.901 1.00 49.30 N ATOM 853 CZ ARG A 54 25.223 15.081 22.191 1.00 50.64 C ATOM 854 NH1 ARG A 54 24.967 14.215 21.237 1.00 49.20 N ATOM 855 NH2 ARG A 54 25.065 14.755 23.462 1.00 49.20 N ATOM 0 H ARG A 54 29.107 19.008 19.632 1.00 49.53 H new ATOM 0 HA ARG A 54 27.416 17.034 18.265 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.761 19.841 19.144 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.642 18.659 18.495 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.175 18.391 21.097 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.497 18.873 20.948 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.949 16.709 19.973 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.630 16.225 20.083 1.00 50.20 H new ATOM 0 HE ARG A 54 25.782 16.974 22.680 1.00 49.30 H new ATOM 0 HH11 ARG A 54 25.074 14.486 20.260 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.661 13.271 21.474 1.00 49.20 H new ATOM 0 HH21 ARG A 54 25.249 15.444 24.192 1.00 49.20 H new ATOM 0 HH22 ARG A 54 24.759 13.815 23.713 1.00 49.20 H new ATOM 869 N THR A 55 27.061 18.238 16.046 1.00 49.53 N ATOM 870 CA THR A 55 27.066 18.727 14.648 1.00 50.07 C ATOM 871 C THR A 55 25.827 19.625 14.411 1.00 50.51 C ATOM 872 O THR A 55 24.977 19.751 15.285 1.00 49.49 O ATOM 873 CB THR A 55 27.056 17.566 13.637 1.00 50.14 C ATOM 874 OG1 THR A 55 25.952 16.695 13.915 1.00 49.34 O ATOM 875 CG2 THR A 55 28.354 16.776 13.719 1.00 49.73 C ATOM 0 H THR A 55 26.338 17.541 16.227 1.00 49.53 H new ATOM 0 HA THR A 55 27.982 19.298 14.496 1.00 50.07 H new ATOM 0 HB THR A 55 26.957 17.979 12.633 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.946 15.958 13.270 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.329 15.959 12.997 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.194 17.433 13.495 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.469 16.369 14.724 1.00 49.73 H new ATOM 883 N LEU A 56 25.748 20.177 13.217 1.00 49.53 N ATOM 884 CA LEU A 56 24.605 21.011 12.808 1.00 50.07 C ATOM 885 C LEU A 56 23.202 20.409 12.821 1.00 50.51 C ATOM 886 O LEU A 56 22.289 21.093 13.197 1.00 49.49 O ATOM 887 CB LEU A 56 24.882 21.582 11.412 1.00 49.82 C ATOM 888 CG LEU A 56 25.467 23.000 11.392 1.00 49.91 C ATOM 889 CD1 LEU A 56 26.840 23.008 12.052 1.00 49.73 C ATOM 890 CD2 LEU A 56 25.557 23.494 9.956 1.00 49.73 C ATOM 0 H LEU A 56 26.463 20.069 12.497 1.00 49.53 H new ATOM 0 HA LEU A 56 24.557 21.758 13.600 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.571 20.915 10.894 1.00 49.82 H new ATOM 0 HB3 LEU A 56 23.951 21.582 10.845 1.00 49.82 H new ATOM 0 HG LEU A 56 24.815 23.670 11.953 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.247 24.019 12.033 1.00 49.73 H new ATOM 0 HD12 LEU A 56 26.749 22.673 13.085 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.508 22.338 11.511 1.00 49.73 H new ATOM 0 HD21 LEU A 56 25.973 24.502 9.943 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.201 22.828 9.382 1.00 49.73 H new ATOM 0 HD23 LEU A 56 24.561 23.507 9.513 1.00 49.73 H new ATOM 902 N SER A 57 23.090 19.094 12.539 1.00 49.53 N ATOM 903 CA SER A 57 21.725 18.511 12.539 1.00 50.07 C ATOM 904 C SER A 57 21.243 18.180 13.935 1.00 50.51 C ATOM 905 O SER A 57 20.002 18.122 14.186 1.00 49.49 O ATOM 906 CB SER A 57 21.692 17.272 11.668 1.00 50.05 C ATOM 907 OG SER A 57 20.526 16.520 11.864 1.00 49.34 O ATOM 0 H SER A 57 23.857 18.457 12.324 1.00 49.53 H new ATOM 0 HA SER A 57 21.048 19.263 12.133 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.762 17.564 10.620 1.00 50.05 H new ATOM 0 HB3 SER A 57 22.563 16.653 11.886 1.00 50.05 H new ATOM 0 HG SER A 57 20.544 15.731 11.283 1.00 49.34 H new ATOM 913 N ASP A 58 22.167 17.983 14.859 1.00 49.53 N ATOM 914 CA ASP A 58 21.802 17.657 16.263 1.00 50.07 C ATOM 915 C ASP A 58 20.835 18.767 16.687 1.00 50.51 C ATOM 916 O ASP A 58 20.046 18.635 17.627 1.00 49.49 O ATOM 917 CB ASP A 58 23.036 17.623 17.168 1.00 49.72 C ATOM 918 CG ASP A 58 23.877 16.360 17.039 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.312 15.291 17.049 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.049 16.474 16.775 1.00 49.24 O ATOM 0 H ASP A 58 23.170 18.038 14.684 1.00 49.53 H new ATOM 0 HA ASP A 58 21.351 16.668 16.345 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.662 18.486 16.941 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.714 17.726 18.204 1.00 49.72 H new ATOM 925 N TYR A 59 21.040 19.923 16.124 1.00 49.53 N ATOM 926 CA TYR A 59 20.228 21.112 16.372 1.00 50.07 C ATOM 927 C TYR A 59 19.383 21.604 15.218 1.00 50.51 C ATOM 928 O TYR A 59 18.779 22.685 15.360 1.00 49.49 O ATOM 929 CB TYR A 59 21.123 22.255 16.857 1.00 49.82 C ATOM 930 CG TYR A 59 21.979 21.899 18.051 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.444 21.889 19.331 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.320 21.575 17.898 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.221 21.563 20.427 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.106 21.248 18.985 1.00 49.88 C ATOM 935 CZ TYR A 59 23.551 21.244 20.250 1.00 50.11 C ATOM 936 OH TYR A 59 24.330 20.921 21.338 1.00 49.46 O ATOM 0 H TYR A 59 21.795 20.084 15.458 1.00 49.53 H new ATOM 0 HA TYR A 59 19.512 20.794 17.130 1.00 50.07 H new ATOM 0 HB2 TYR A 59 21.771 22.568 16.038 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.497 23.110 17.113 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.403 22.140 19.474 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.757 21.579 16.910 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.789 21.558 21.417 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.147 20.997 18.847 1.00 49.88 H new ATOM 0 HH TYR A 59 23.973 20.116 21.769 1.00 49.46 H new ATOM 946 N ASN A 60 19.279 20.916 14.100 1.00 49.53 N ATOM 947 CA ASN A 60 18.441 21.433 13.000 1.00 50.07 C ATOM 948 C ASN A 60 18.944 22.789 12.520 1.00 50.51 C ATOM 949 O ASN A 60 18.164 23.634 12.037 1.00 49.49 O ATOM 950 CB ASN A 60 16.983 21.528 13.408 1.00 49.82 C ATOM 951 CG ASN A 60 16.042 21.735 12.254 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.306 21.302 11.126 1.00 49.45 O ATOM 953 ND2 ASN A 60 14.987 22.466 12.509 1.00 49.38 N ATOM 0 H ASN A 60 19.741 20.025 13.916 1.00 49.53 H new ATOM 0 HA ASN A 60 18.516 20.723 12.176 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.702 20.616 13.934 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.866 22.351 14.113 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.337 22.703 11.759 1.00 49.38 H new ATOM 0 HD22 ASN A 60 14.814 22.799 13.458 1.00 49.38 H new ATOM 960 N ILE A 61 20.242 23.001 12.583 1.00 49.53 N ATOM 961 CA ILE A 61 20.852 24.258 12.055 1.00 50.07 C ATOM 962 C ILE A 61 20.846 24.221 10.529 1.00 50.51 C ATOM 963 O ILE A 61 21.711 23.459 10.005 1.00 49.49 O ATOM 964 CB ILE A 61 22.293 24.450 12.558 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.317 24.560 14.085 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.919 25.683 11.923 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.707 24.532 14.678 1.00 49.73 C ATOM 0 H ILE A 61 20.910 22.343 12.985 1.00 49.53 H new ATOM 0 HA ILE A 61 20.258 25.097 12.417 1.00 50.07 H new ATOM 0 HB ILE A 61 22.879 23.579 12.267 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.825 25.486 14.381 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.735 23.741 14.508 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.938 25.804 12.290 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.935 25.566 10.839 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.333 26.564 12.184 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.641 24.614 15.763 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.196 23.594 14.414 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.287 25.367 14.285 1.00 49.73 H new ATOM 979 N GLN A 62 19.975 24.950 9.889 1.00 49.53 N ATOM 980 CA GLN A 62 19.827 24.944 8.404 1.00 50.07 C ATOM 981 C GLN A 62 20.556 26.076 7.676 1.00 50.51 C ATOM 982 O GLN A 62 21.430 26.731 8.271 1.00 49.49 O ATOM 983 CB GLN A 62 18.343 24.986 8.030 1.00 49.82 C ATOM 984 CG GLN A 62 17.524 23.841 8.601 1.00 49.82 C ATOM 985 CD GLN A 62 16.106 23.821 8.065 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.760 24.579 7.154 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.272 22.956 8.631 1.00 49.38 N ATOM 0 H GLN A 62 19.327 25.582 10.360 1.00 49.53 H new ATOM 0 HA GLN A 62 20.300 24.019 8.074 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.919 25.929 8.376 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.253 24.976 6.944 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.012 22.896 8.365 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.498 23.923 9.688 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.600 22.348 9.381 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.304 22.900 8.315 1.00 49.38 H new ATOM 996 N LYS A 63 20.236 26.299 6.402 1.00 49.53 N ATOM 997 CA LYS A 63 20.902 27.295 5.593 1.00 50.07 C ATOM 998 C LYS A 63 20.530 28.702 6.055 1.00 50.51 C ATOM 999 O LYS A 63 19.448 28.979 6.545 1.00 49.49 O ATOM 1000 CB LYS A 63 20.547 27.113 4.116 1.00 49.82 C ATOM 1001 CG LYS A 63 21.441 27.884 3.155 1.00 49.82 C ATOM 1002 CD LYS A 63 20.904 27.827 1.733 1.00 49.82 C ATOM 1003 CE LYS A 63 21.814 28.571 0.766 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.301 28.521 -0.630 1.00 49.70 N ATOM 0 H LYS A 63 19.504 25.788 5.909 1.00 49.53 H new ATOM 0 HA LYS A 63 21.978 27.165 5.712 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.599 26.052 3.870 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.514 27.425 3.962 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.514 28.923 3.477 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.449 27.471 3.182 1.00 49.82 H new ATOM 0 HD2 LYS A 63 20.810 26.787 1.419 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.905 28.261 1.702 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.907 29.610 1.082 1.00 50.21 H new ATOM 0 HE3 LYS A 63 22.813 28.137 0.801 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 21.949 29.039 -1.257 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.237 27.531 -0.941 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.358 28.958 -0.669 1.00 49.70 H new ATOM 1018 N GLU A 64 21.562 29.555 5.982 1.00 49.53 N ATOM 1019 CA GLU A 64 21.514 30.949 6.340 1.00 50.07 C ATOM 1020 C GLU A 64 21.103 31.115 7.772 1.00 50.51 C ATOM 1021 O GLU A 64 20.526 32.151 8.187 1.00 49.49 O ATOM 1022 CB GLU A 64 20.551 31.707 5.422 1.00 49.82 C ATOM 1023 CG GLU A 64 20.773 31.460 3.937 1.00 49.72 C ATOM 1024 CD GLU A 64 20.028 32.462 3.099 1.00 50.62 C ATOM 1025 OE1 GLU A 64 20.406 33.608 3.104 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.154 32.062 2.367 1.00 49.24 O ATOM 0 H GLU A 64 22.484 29.264 5.656 1.00 49.53 H new ATOM 0 HA GLU A 64 22.514 31.365 6.217 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.529 31.426 5.676 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.646 32.775 5.618 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.838 31.515 3.712 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.445 30.453 3.681 1.00 49.72 H new ATOM 1033 N SER A 65 21.567 30.187 8.594 1.00 49.53 N ATOM 1034 CA SER A 65 21.377 30.224 10.050 1.00 50.07 C ATOM 1035 C SER A 65 22.359 31.221 10.710 1.00 50.51 C ATOM 1036 O SER A 65 23.428 31.484 10.172 1.00 49.49 O ATOM 1037 CB SER A 65 21.556 28.836 10.635 1.00 50.05 C ATOM 1038 OG SER A 65 21.490 28.844 12.035 1.00 49.34 O ATOM 0 H SER A 65 22.093 29.374 8.273 1.00 49.53 H new ATOM 0 HA SER A 65 20.362 30.564 10.256 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.786 28.174 10.239 1.00 50.05 H new ATOM 0 HB3 SER A 65 22.518 28.431 10.320 1.00 50.05 H new ATOM 0 HG SER A 65 20.861 28.156 12.337 1.00 49.34 H new ATOM 1044 N THR A 66 21.978 31.769 11.833 1.00 49.53 N ATOM 1045 CA THR A 66 22.841 32.664 12.612 1.00 50.07 C ATOM 1046 C THR A 66 23.406 31.927 13.826 1.00 50.51 C ATOM 1047 O THR A 66 22.697 31.048 14.368 1.00 49.49 O ATOM 1048 CB THR A 66 22.083 33.917 13.086 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.933 33.525 13.845 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.638 34.753 11.895 1.00 49.73 C ATOM 0 H THR A 66 21.059 31.616 12.248 1.00 49.53 H new ATOM 0 HA THR A 66 23.654 32.982 11.959 1.00 50.07 H new ATOM 0 HB THR A 66 22.751 34.513 13.707 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.453 34.324 14.147 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.104 35.635 12.249 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.512 35.064 11.322 1.00 49.73 H new ATOM 0 HG23 THR A 66 20.979 34.160 11.260 1.00 49.73 H new ATOM 1058 N LEU A 67 24.679 32.159 14.157 1.00 49.53 N ATOM 1059 CA LEU A 67 25.249 31.567 15.374 1.00 50.07 C ATOM 1060 C LEU A 67 25.756 32.818 16.121 1.00 50.51 C ATOM 1061 O LEU A 67 26.413 33.608 15.424 1.00 49.49 O ATOM 1062 CB LEU A 67 26.388 30.592 15.047 1.00 49.82 C ATOM 1063 CG LEU A 67 25.996 29.406 14.156 1.00 49.91 C ATOM 1064 CD1 LEU A 67 27.171 28.448 14.018 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.790 28.698 14.754 1.00 49.73 C ATOM 0 H LEU A 67 25.322 32.737 13.616 1.00 49.53 H new ATOM 0 HA LEU A 67 24.543 30.969 15.950 1.00 50.07 H new ATOM 0 HB2 LEU A 67 27.189 31.145 14.557 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.794 30.205 15.982 1.00 49.82 H new ATOM 0 HG LEU A 67 25.732 29.768 13.162 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.884 27.609 13.384 1.00 49.73 H new ATOM 0 HD12 LEU A 67 28.015 28.970 13.568 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.456 28.078 15.003 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.512 27.856 14.121 1.00 49.73 H new ATOM 0 HD22 LEU A 67 25.038 28.336 15.752 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.954 29.395 14.819 1.00 49.73 H new ATOM 1077 N HIS A 68 25.503 32.911 17.377 1.00 49.53 N ATOM 1078 CA HIS A 68 26.014 34.077 18.139 1.00 50.07 C ATOM 1079 C HIS A 68 27.332 33.678 18.797 1.00 50.51 C ATOM 1080 O HIS A 68 27.433 32.602 19.426 1.00 49.49 O ATOM 1081 CB HIS A 68 25.002 34.533 19.194 1.00 49.92 C ATOM 1082 CG HIS A 68 25.243 35.923 19.698 1.00 50.22 C ATOM 1083 ND1 HIS A 68 25.907 36.181 20.879 1.00 49.30 N ATOM 1084 CD2 HIS A 68 24.910 37.129 19.182 1.00 49.95 C ATOM 1085 CE1 HIS A 68 25.971 37.487 21.068 1.00 50.25 C ATOM 1086 NE2 HIS A 68 25.374 38.084 20.053 1.00 49.64 N ATOM 0 H HIS A 68 24.965 32.235 17.919 1.00 49.53 H new ATOM 0 HA HIS A 68 26.172 34.915 17.461 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.999 34.478 18.770 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.031 33.841 20.035 1.00 49.92 H new ATOM 0 HD2 HIS A 68 24.379 37.307 18.259 1.00 49.95 H new ATOM 0 HE1 HIS A 68 26.433 37.982 21.909 1.00 50.25 H new ATOM 0 HE2 HIS A 68 25.274 39.092 19.935 1.00 49.64 H new ATOM 1094 N LEU A 69 28.314 34.562 18.744 1.00 49.53 N ATOM 1095 CA LEU A 69 29.599 34.335 19.398 1.00 50.07 C ATOM 1096 C LEU A 69 29.779 35.148 20.645 1.00 50.51 C ATOM 1097 O LEU A 69 29.338 36.352 20.639 1.00 49.49 O ATOM 1098 CB LEU A 69 30.742 34.621 18.416 1.00 49.82 C ATOM 1099 CG LEU A 69 32.154 34.438 18.986 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.311 33.032 19.550 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.182 34.699 17.896 1.00 49.73 C ATOM 0 H LEU A 69 28.248 35.452 18.251 1.00 49.53 H new ATOM 0 HA LEU A 69 29.617 33.288 19.702 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.629 33.967 17.551 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.643 35.645 18.056 1.00 49.82 H new ATOM 0 HG LEU A 69 32.314 35.151 19.795 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.317 32.912 19.952 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.581 32.875 20.344 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.147 32.302 18.758 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.185 34.569 18.303 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.029 33.997 17.076 1.00 49.73 H new ATOM 0 HD23 LEU A 69 33.070 35.718 17.527 1.00 49.73 H new ATOM 1113 N VAL A 70 30.273 34.592 21.703 1.00 49.53 N ATOM 1114 CA VAL A 70 30.571 35.385 22.930 1.00 50.07 C ATOM 1115 C VAL A 70 32.092 35.306 23.121 1.00 50.51 C ATOM 1116 O VAL A 70 32.648 34.185 23.116 1.00 49.49 O ATOM 1117 CB VAL A 70 29.853 34.831 24.174 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.235 35.631 25.410 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.345 34.850 23.972 1.00 49.73 C ATOM 0 H VAL A 70 30.490 33.598 21.778 1.00 49.53 H new ATOM 0 HA VAL A 70 30.218 36.409 22.811 1.00 50.07 H new ATOM 0 HB VAL A 70 30.168 33.798 24.321 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.718 35.226 26.280 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.312 35.568 25.566 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.949 36.674 25.271 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.854 34.455 24.861 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.014 35.874 23.799 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.086 34.235 23.111 1.00 49.73 H new ATOM 1129 N LEU A 71 32.750 36.437 23.233 1.00 49.53 N ATOM 1130 CA LEU A 71 34.213 36.449 23.454 1.00 50.07 C ATOM 1131 C LEU A 71 34.714 36.187 24.849 1.00 50.51 C ATOM 1132 O LEU A 71 34.680 37.074 25.725 1.00 49.49 O ATOM 1133 CB LEU A 71 34.784 37.785 22.962 1.00 49.82 C ATOM 1134 CG LEU A 71 36.313 37.840 22.851 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.779 37.033 21.648 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.762 39.290 22.734 1.00 49.73 C ATOM 0 H LEU A 71 32.319 37.360 23.178 1.00 49.53 H new ATOM 0 HA LEU A 71 34.567 35.590 22.884 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.356 38.007 21.984 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.456 38.574 23.639 1.00 49.82 H new ATOM 0 HG LEU A 71 36.758 37.405 23.746 1.00 49.91 H new ATOM 0 HD11 LEU A 71 37.866 37.079 21.578 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.466 35.995 21.763 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.340 37.446 20.740 1.00 49.73 H new ATOM 0 HD21 LEU A 71 37.848 39.329 22.655 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.317 39.738 21.845 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.442 39.842 23.618 1.00 49.73 H new ATOM 1148 N ARG A 72 35.239 35.042 25.082 1.00 49.53 N ATOM 1149 CA ARG A 72 35.828 34.661 26.384 1.00 50.07 C ATOM 1150 C ARG A 72 37.329 34.912 26.502 1.00 50.51 C ATOM 1151 O ARG A 72 38.036 33.985 25.990 1.00 49.49 O ATOM 1152 CB ARG A 72 35.489 33.224 26.751 1.00 49.82 C ATOM 1153 CG ARG A 72 35.939 32.796 28.139 1.00 49.82 C ATOM 1154 CD ARG A 72 35.773 31.346 28.416 1.00 50.20 C ATOM 1155 NE ARG A 72 34.393 30.888 28.420 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.565 30.966 29.480 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.979 31.446 30.631 1.00 49.20 N ATOM 1158 NH2 ARG A 72 32.327 30.523 29.339 1.00 49.20 N ATOM 0 H ARG A 72 35.290 34.303 24.381 1.00 49.53 H new ATOM 0 HA ARG A 72 35.363 35.332 27.106 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.410 33.090 26.677 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.944 32.559 26.016 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.989 33.060 28.265 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.376 33.362 28.881 1.00 49.82 H new ATOM 0 HD2 ARG A 72 36.328 30.780 27.668 1.00 50.20 H new ATOM 0 HD3 ARG A 72 36.221 31.120 29.384 1.00 50.20 H new ATOM 0 HE ARG A 72 34.026 30.479 27.560 1.00 49.30 H new ATOM 0 HH11 ARG A 72 34.942 31.767 30.733 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.338 31.497 31.422 1.00 49.20 H new ATOM 0 HH21 ARG A 72 32.023 30.136 28.446 1.00 49.20 H new ATOM 0 HH22 ARG A 72 31.677 30.569 30.123 1.00 49.20 H new ATOM 1172 N LEU A 73 37.780 35.932 27.152 1.00 49.53 N ATOM 1173 CA LEU A 73 39.244 36.166 27.244 1.00 50.07 C ATOM 1174 C LEU A 73 39.818 35.417 28.438 1.00 50.51 C ATOM 1175 O LEU A 73 39.079 34.830 29.244 1.00 49.49 O ATOM 1176 CB LEU A 73 39.538 37.668 27.354 1.00 49.82 C ATOM 1177 CG LEU A 73 39.253 38.485 26.088 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.701 39.926 26.285 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.969 37.854 24.903 1.00 49.73 C ATOM 0 H LEU A 73 37.199 36.622 27.629 1.00 49.53 H new ATOM 0 HA LEU A 73 39.719 35.791 26.338 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.947 38.078 28.172 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.587 37.798 27.622 1.00 49.82 H new ATOM 0 HG LEU A 73 38.181 38.486 25.889 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.494 40.498 25.381 1.00 49.73 H new ATOM 0 HD12 LEU A 73 39.159 40.364 27.123 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.771 39.949 26.493 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.766 38.435 24.004 1.00 49.73 H new ATOM 0 HD22 LEU A 73 41.042 37.840 25.092 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.612 36.833 24.764 1.00 49.73 H new ATOM 1191 N ARG A 74 41.131 35.534 28.560 1.00 49.53 N ATOM 1192 CA ARG A 74 41.880 34.879 29.645 1.00 50.07 C ATOM 1193 C ARG A 74 42.268 35.770 30.822 1.00 50.51 C ATOM 1194 O ARG A 74 43.237 36.547 30.740 1.00 49.49 O ATOM 1195 CB ARG A 74 43.101 34.145 29.108 1.00 49.82 C ATOM 1196 CG ARG A 74 43.977 33.501 30.171 1.00 49.82 C ATOM 1197 CD ARG A 74 45.225 32.890 29.646 1.00 50.20 C ATOM 1198 NE ARG A 74 46.066 32.272 30.659 1.00 49.30 N ATOM 1199 CZ ARG A 74 45.865 31.044 31.175 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.835 30.314 30.806 1.00 49.20 N ATOM 1201 NH2 ARG A 74 46.717 30.600 32.082 1.00 49.20 N ATOM 0 H ARG A 74 41.712 36.078 27.922 1.00 49.53 H new ATOM 0 HA ARG A 74 41.167 34.167 30.060 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.767 33.372 28.415 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.706 34.847 28.535 1.00 49.82 H new ATOM 0 HG2 ARG A 74 44.240 34.254 30.914 1.00 49.82 H new ATOM 0 HG3 ARG A 74 43.399 32.733 30.686 1.00 49.82 H new ATOM 0 HD2 ARG A 74 44.961 32.138 28.902 1.00 50.20 H new ATOM 0 HD3 ARG A 74 45.802 33.658 29.132 1.00 50.20 H new ATOM 0 HE ARG A 74 46.864 32.806 31.003 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.173 30.676 30.119 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.698 29.386 31.207 1.00 49.20 H new ATOM 0 HH21 ARG A 74 47.501 31.183 32.374 1.00 49.20 H new ATOM 0 HH22 ARG A 74 46.590 29.674 32.491 1.00 49.20 H new ATOM 1215 N GLY A 75 41.451 35.695 31.865 1.00 49.53 N ATOM 1216 CA GLY A 75 41.653 36.454 33.091 1.00 49.98 C ATOM 1217 C GLY A 75 41.294 37.912 32.880 1.00 50.51 C ATOM 1218 O GLY A 75 41.683 38.553 31.889 1.00 49.49 O ATOM 0 H GLY A 75 40.623 35.100 31.883 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.041 36.035 33.890 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.692 36.372 33.409 1.00 49.98 H new ATOM 1222 N GLY A 76 41.021 38.559 33.997 1.00 49.53 N ATOM 1223 CA GLY A 76 40.660 39.983 34.073 1.00 49.98 C ATOM 1224 C GLY A 76 40.351 40.157 35.569 1.00 50.51 C ATOM 1225 O GLY A 76 39.267 40.704 35.849 1.00 49.49 O ATOM 0 H GLY A 76 41.042 38.105 34.910 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.476 40.628 33.747 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.798 40.219 33.449 1.00 49.98 H new TER 1229 GLY A 76