USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 60 ASN : amide:sc= 0.871 K(o=1.9,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.05 K(o=1.9,f=-0.46) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.375 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0199 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 164:sc= 0.853 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 146:sc= 0.754 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.472 USER MOD Single : A 25 ASN : amide:sc= 0.617 K(o=0.62,f=-0.95) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 2.21 (180deg=1.89) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.71 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.358 K(o=-0.36,f=-0.99) 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=-0.52) USER MOD Single : A 41 GLN : amide:sc= 0.754 K(o=0.75,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00904) USER MOD Single : A 49 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.032) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -76:sc= 0.145 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.579 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 71:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.931 52.031 19.870 1.00 0.00 N ATOM 2 CA MET A 1 33.129 52.185 21.320 1.00 0.00 C ATOM 3 C MET A 1 34.596 52.522 21.600 1.00 0.00 C ATOM 4 O MET A 1 35.469 52.042 20.881 1.00 0.00 O ATOM 5 CB MET A 1 32.650 50.975 22.115 1.00 0.00 C ATOM 6 CG MET A 1 33.456 49.692 21.928 1.00 0.00 C ATOM 7 SD MET A 1 32.844 48.301 22.911 1.00 0.00 S ATOM 8 CE MET A 1 34.059 47.035 22.466 1.00 0.00 C ATOM 0 H1 MET A 1 31.935 51.802 19.678 1.00 0.00 H new ATOM 0 H2 MET A 1 33.181 52.919 19.389 1.00 0.00 H new ATOM 0 H3 MET A 1 33.537 51.263 19.516 1.00 0.00 H new ATOM 0 HA MET A 1 32.507 53.012 21.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.657 51.234 23.174 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.614 50.773 21.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.442 49.415 20.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.496 49.884 22.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.826 46.107 22.989 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.028 46.863 21.390 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.056 47.372 22.751 1.00 0.00 H new ATOM 20 N GLN A 2 34.878 53.322 22.624 1.00 0.00 N ATOM 21 CA GLN A 2 36.221 53.738 22.975 1.00 0.00 C ATOM 22 C GLN A 2 36.816 52.872 24.087 1.00 0.00 C ATOM 23 O GLN A 2 36.113 52.546 25.042 1.00 0.00 O ATOM 24 CB GLN A 2 36.208 55.221 23.333 1.00 0.00 C ATOM 25 CG GLN A 2 37.600 55.816 23.522 1.00 0.00 C ATOM 26 CD GLN A 2 37.544 57.329 23.740 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.791 58.126 22.837 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.173 57.796 24.928 1.00 0.00 N ATOM 0 H GLN A 2 34.161 53.704 23.242 1.00 0.00 H new ATOM 0 HA GLN A 2 36.875 53.596 22.114 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.690 55.771 22.547 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.635 55.360 24.250 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.085 55.343 24.376 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.211 55.597 22.647 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.964 57.149 25.688 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.097 58.802 25.080 1.00 0.00 H new ATOM 37 N ILE A 3 38.103 52.550 23.993 1.00 0.00 N ATOM 38 CA ILE A 3 38.881 51.874 25.011 1.00 0.00 C ATOM 39 C ILE A 3 40.263 52.511 25.174 1.00 0.00 C ATOM 40 O ILE A 3 40.752 53.182 24.269 1.00 0.00 O ATOM 41 CB ILE A 3 39.005 50.379 24.728 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.732 50.081 23.420 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.644 49.690 24.785 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.139 48.621 23.248 1.00 0.00 C ATOM 0 H ILE A 3 38.653 52.767 23.162 1.00 0.00 H new ATOM 0 HA ILE A 3 38.343 51.990 25.952 1.00 0.00 H new ATOM 0 HB ILE A 3 39.626 49.963 25.522 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.090 50.368 22.587 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.625 50.704 23.364 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.766 48.627 24.579 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.211 49.821 25.777 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.982 50.130 24.040 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.649 48.496 22.293 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.809 48.332 24.058 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.250 47.991 23.270 1.00 0.00 H new ATOM 56 N PHE A 4 40.921 52.256 26.301 1.00 0.00 N ATOM 57 CA PHE A 4 42.240 52.767 26.615 1.00 0.00 C ATOM 58 C PHE A 4 43.259 51.634 26.745 1.00 0.00 C ATOM 59 O PHE A 4 43.119 50.761 27.599 1.00 0.00 O ATOM 60 CB PHE A 4 42.179 53.606 27.888 1.00 0.00 C ATOM 61 CG PHE A 4 41.153 54.713 27.877 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.465 55.958 27.318 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.883 54.500 28.427 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.508 56.982 27.300 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.926 55.521 28.408 1.00 0.00 C ATOM 66 CZ PHE A 4 39.238 56.765 27.846 1.00 0.00 C ATOM 0 H PHE A 4 40.534 51.669 27.040 1.00 0.00 H new ATOM 0 HA PHE A 4 42.572 53.402 25.794 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.970 52.946 28.730 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.162 54.044 28.063 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.446 56.130 26.900 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.641 53.544 28.868 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.751 57.940 26.864 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.946 55.349 28.827 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.501 57.554 27.834 1.00 0.00 H new ATOM 76 N VAL A 5 44.315 51.654 25.935 1.00 0.00 N ATOM 77 CA VAL A 5 45.410 50.708 25.994 1.00 0.00 C ATOM 78 C VAL A 5 46.622 51.364 26.659 1.00 0.00 C ATOM 79 O VAL A 5 47.113 52.382 26.176 1.00 0.00 O ATOM 80 CB VAL A 5 45.736 50.156 24.609 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.874 49.141 24.673 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.534 49.452 23.988 1.00 0.00 C ATOM 0 H VAL A 5 44.429 52.352 25.200 1.00 0.00 H new ATOM 0 HA VAL A 5 45.114 49.854 26.603 1.00 0.00 H new ATOM 0 HB VAL A 5 46.023 51.014 24.001 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.083 48.766 23.671 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.767 49.620 25.075 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.586 48.311 25.319 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.804 49.072 23.003 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.229 48.622 24.626 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.709 50.158 23.891 1.00 0.00 H new ATOM 92 N LYS A 6 47.099 50.801 27.766 1.00 0.00 N ATOM 93 CA LYS A 6 48.180 51.335 28.571 1.00 0.00 C ATOM 94 C LYS A 6 49.451 50.488 28.485 1.00 0.00 C ATOM 95 O LYS A 6 49.384 49.262 28.538 1.00 0.00 O ATOM 96 CB LYS A 6 47.713 51.503 30.014 1.00 0.00 C ATOM 97 CG LYS A 6 46.663 52.602 30.145 1.00 0.00 C ATOM 98 CD LYS A 6 46.310 52.888 31.601 1.00 0.00 C ATOM 99 CE LYS A 6 45.214 53.942 31.741 1.00 0.00 C ATOM 100 NZ LYS A 6 45.676 55.316 31.494 1.00 0.00 N ATOM 0 H LYS A 6 46.725 49.927 28.136 1.00 0.00 H new ATOM 0 HA LYS A 6 48.446 52.313 28.169 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.300 50.561 30.374 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.568 51.740 30.648 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.033 53.514 29.676 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.763 52.309 29.605 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.985 51.965 32.081 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.203 53.224 32.129 1.00 0.00 H new ATOM 0 HE2 LYS A 6 44.408 53.709 31.045 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.794 53.885 32.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.855 55.935 31.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.214 55.655 32.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.286 55.331 30.652 1.00 0.00 H new ATOM 114 N THR A 7 50.610 51.136 28.396 1.00 0.00 N ATOM 115 CA THR A 7 51.913 50.513 28.497 1.00 0.00 C ATOM 116 C THR A 7 52.482 50.622 29.913 1.00 0.00 C ATOM 117 O THR A 7 52.203 51.588 30.619 1.00 0.00 O ATOM 118 CB THR A 7 52.918 51.086 27.503 1.00 0.00 C ATOM 119 OG1 THR A 7 53.190 52.445 27.763 1.00 0.00 O ATOM 120 CG2 THR A 7 52.454 50.979 26.053 1.00 0.00 C ATOM 0 H THR A 7 50.662 52.144 28.246 1.00 0.00 H new ATOM 0 HA THR A 7 51.756 49.462 28.253 1.00 0.00 H new ATOM 0 HB THR A 7 53.816 50.482 27.636 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.839 52.780 27.109 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.213 51.404 25.396 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.298 49.931 25.797 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.519 51.526 25.929 1.00 0.00 H new ATOM 128 N LEU A 8 53.315 49.679 30.344 1.00 0.00 N ATOM 129 CA LEU A 8 53.911 49.665 31.665 1.00 0.00 C ATOM 130 C LEU A 8 54.713 50.932 31.971 1.00 0.00 C ATOM 131 O LEU A 8 54.662 51.436 33.090 1.00 0.00 O ATOM 132 CB LEU A 8 54.791 48.429 31.816 1.00 0.00 C ATOM 133 CG LEU A 8 54.089 47.080 31.684 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.120 45.957 31.766 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.059 46.853 32.787 1.00 0.00 C ATOM 0 H LEU A 8 53.597 48.887 29.766 1.00 0.00 H new ATOM 0 HA LEU A 8 53.096 49.633 32.388 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.582 48.478 31.067 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.274 48.470 32.792 1.00 0.00 H new ATOM 0 HG LEU A 8 53.576 47.081 30.722 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.618 44.994 31.672 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.845 46.069 30.959 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.635 46.005 32.726 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.587 45.880 32.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.553 46.883 33.758 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.300 47.634 32.742 1.00 0.00 H new ATOM 147 N THR A 9 55.381 51.481 30.960 1.00 0.00 N ATOM 148 CA THR A 9 56.152 52.709 30.988 1.00 0.00 C ATOM 149 C THR A 9 55.331 53.998 30.918 1.00 0.00 C ATOM 150 O THR A 9 55.900 55.086 30.965 1.00 0.00 O ATOM 151 CB THR A 9 57.222 52.711 29.901 1.00 0.00 C ATOM 152 OG1 THR A 9 56.665 52.360 28.654 1.00 0.00 O ATOM 153 CG2 THR A 9 58.354 51.726 30.181 1.00 0.00 C ATOM 0 H THR A 9 55.395 51.045 30.038 1.00 0.00 H new ATOM 0 HA THR A 9 56.617 52.713 31.974 1.00 0.00 H new ATOM 0 HB THR A 9 57.624 53.724 29.888 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.366 52.368 27.969 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.085 51.772 29.374 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.837 51.985 31.123 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.949 50.716 30.247 1.00 0.00 H new ATOM 161 N GLY A 10 54.004 53.929 30.857 1.00 0.00 N ATOM 162 CA GLY A 10 53.135 55.058 31.122 1.00 0.00 C ATOM 163 C GLY A 10 52.612 55.838 29.915 1.00 0.00 C ATOM 164 O GLY A 10 52.279 57.013 30.060 1.00 0.00 O ATOM 0 H GLY A 10 53.501 53.074 30.619 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.276 54.697 31.689 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.673 55.754 31.766 1.00 0.00 H new ATOM 168 N LYS A 11 52.514 55.227 28.737 1.00 0.00 N ATOM 169 CA LYS A 11 51.779 55.763 27.610 1.00 0.00 C ATOM 170 C LYS A 11 50.328 55.279 27.654 1.00 0.00 C ATOM 171 O LYS A 11 50.077 54.167 28.113 1.00 0.00 O ATOM 172 CB LYS A 11 52.500 55.387 26.319 1.00 0.00 C ATOM 173 CG LYS A 11 52.077 56.213 25.107 1.00 0.00 C ATOM 174 CD LYS A 11 52.955 55.892 23.902 1.00 0.00 C ATOM 175 CE LYS A 11 52.638 56.822 22.734 1.00 0.00 C ATOM 176 NZ LYS A 11 53.595 56.651 21.630 1.00 0.00 N ATOM 0 H LYS A 11 52.954 54.328 28.542 1.00 0.00 H new ATOM 0 HA LYS A 11 51.742 56.851 27.656 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.574 55.503 26.468 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.319 54.333 26.108 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.034 56.008 24.868 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.148 57.275 25.342 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.005 55.991 24.176 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.800 54.856 23.600 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.628 56.624 22.375 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.658 57.857 23.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.310 57.249 20.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.545 56.929 21.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.607 55.655 21.332 1.00 0.00 H new ATOM 190 N THR A 12 49.378 56.073 27.168 1.00 0.00 N ATOM 191 CA THR A 12 47.998 55.676 26.978 1.00 0.00 C ATOM 192 C THR A 12 47.580 55.942 25.531 1.00 0.00 C ATOM 193 O THR A 12 47.621 57.076 25.059 1.00 0.00 O ATOM 194 CB THR A 12 47.053 56.375 27.951 1.00 0.00 C ATOM 195 OG1 THR A 12 47.375 56.036 29.281 1.00 0.00 O ATOM 196 CG2 THR A 12 45.599 55.950 27.772 1.00 0.00 C ATOM 0 H THR A 12 49.559 57.037 26.889 1.00 0.00 H new ATOM 0 HA THR A 12 47.927 54.609 27.187 1.00 0.00 H new ATOM 0 HB THR A 12 47.168 57.439 27.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.203 56.804 29.865 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.974 56.480 28.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.272 56.190 26.760 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.511 54.876 27.937 1.00 0.00 H new ATOM 204 N ILE A 13 47.165 54.887 24.834 1.00 0.00 N ATOM 205 CA ILE A 13 46.722 54.900 23.455 1.00 0.00 C ATOM 206 C ILE A 13 45.212 54.659 23.451 1.00 0.00 C ATOM 207 O ILE A 13 44.731 53.580 23.793 1.00 0.00 O ATOM 208 CB ILE A 13 47.501 53.887 22.621 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.002 54.158 22.694 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.030 53.924 21.170 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.878 53.157 21.947 1.00 0.00 C ATOM 0 H ILE A 13 47.129 53.954 25.244 1.00 0.00 H new ATOM 0 HA ILE A 13 46.921 55.864 22.987 1.00 0.00 H new ATOM 0 HB ILE A 13 47.313 52.894 23.030 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.195 55.154 22.296 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.303 54.169 23.742 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.594 53.197 20.586 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.968 53.681 21.126 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.191 54.921 20.761 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.926 53.436 22.059 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.722 52.159 22.358 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.613 53.160 20.890 1.00 0.00 H new ATOM 223 N THR A 14 44.457 55.694 23.094 1.00 0.00 N ATOM 224 CA THR A 14 43.008 55.681 23.081 1.00 0.00 C ATOM 225 C THR A 14 42.522 55.190 21.716 1.00 0.00 C ATOM 226 O THR A 14 42.709 55.875 20.713 1.00 0.00 O ATOM 227 CB THR A 14 42.449 57.064 23.402 1.00 0.00 C ATOM 228 OG1 THR A 14 43.033 57.561 24.585 1.00 0.00 O ATOM 229 CG2 THR A 14 40.939 57.029 23.624 1.00 0.00 C ATOM 0 H THR A 14 44.853 56.587 22.799 1.00 0.00 H new ATOM 0 HA THR A 14 42.646 55.000 23.852 1.00 0.00 H new ATOM 0 HB THR A 14 42.679 57.701 22.548 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.669 58.449 24.781 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.581 58.033 23.850 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.447 56.663 22.723 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.709 56.366 24.458 1.00 0.00 H new ATOM 237 N LEU A 15 41.906 54.011 21.675 1.00 0.00 N ATOM 238 CA LEU A 15 41.460 53.364 20.459 1.00 0.00 C ATOM 239 C LEU A 15 39.933 53.368 20.361 1.00 0.00 C ATOM 240 O LEU A 15 39.239 53.165 21.353 1.00 0.00 O ATOM 241 CB LEU A 15 41.979 51.930 20.390 1.00 0.00 C ATOM 242 CG LEU A 15 43.495 51.753 20.366 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.826 50.264 20.309 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.160 52.421 19.166 1.00 0.00 C ATOM 0 H LEU A 15 41.701 53.470 22.515 1.00 0.00 H new ATOM 0 HA LEU A 15 41.863 53.928 19.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.586 51.384 21.247 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.567 51.461 19.497 1.00 0.00 H new ATOM 0 HG LEU A 15 43.876 52.225 21.271 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.908 50.132 20.292 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.414 49.766 21.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.393 49.829 19.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.237 52.258 19.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.764 51.992 18.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.954 53.491 19.185 1.00 0.00 H new ATOM 256 N GLU A 16 39.417 53.514 19.143 1.00 0.00 N ATOM 257 CA GLU A 16 38.047 53.168 18.823 1.00 0.00 C ATOM 258 C GLU A 16 37.981 51.778 18.187 1.00 0.00 C ATOM 259 O GLU A 16 38.746 51.429 17.291 1.00 0.00 O ATOM 260 CB GLU A 16 37.370 54.231 17.962 1.00 0.00 C ATOM 261 CG GLU A 16 37.142 55.508 18.767 1.00 0.00 C ATOM 262 CD GLU A 16 36.272 56.481 17.968 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.831 57.319 17.227 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.030 56.387 18.059 1.00 0.00 O ATOM 0 H GLU A 16 39.946 53.878 18.350 1.00 0.00 H new ATOM 0 HA GLU A 16 37.483 53.135 19.755 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.988 54.449 17.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.417 53.854 17.591 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.659 55.269 19.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.098 55.973 19.005 1.00 0.00 H new ATOM 271 N VAL A 17 37.066 50.975 18.723 1.00 0.00 N ATOM 272 CA VAL A 17 36.886 49.569 18.422 1.00 0.00 C ATOM 273 C VAL A 17 35.403 49.224 18.270 1.00 0.00 C ATOM 274 O VAL A 17 34.520 49.942 18.733 1.00 0.00 O ATOM 275 CB VAL A 17 37.559 48.679 19.464 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.073 48.862 19.486 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.015 48.919 20.870 1.00 0.00 C ATOM 0 H VAL A 17 36.397 51.312 19.416 1.00 0.00 H new ATOM 0 HA VAL A 17 37.374 49.374 17.467 1.00 0.00 H new ATOM 0 HB VAL A 17 37.327 47.657 19.164 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.508 48.209 20.243 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.484 48.609 18.509 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.311 49.899 19.723 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.525 48.262 21.575 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.185 49.958 21.154 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.946 48.709 20.887 1.00 0.00 H new ATOM 287 N GLU A 18 35.150 48.089 17.623 1.00 0.00 N ATOM 288 CA GLU A 18 33.845 47.475 17.489 1.00 0.00 C ATOM 289 C GLU A 18 33.762 46.252 18.406 1.00 0.00 C ATOM 290 O GLU A 18 34.764 45.555 18.548 1.00 0.00 O ATOM 291 CB GLU A 18 33.666 47.120 16.016 1.00 0.00 C ATOM 292 CG GLU A 18 32.294 46.564 15.647 1.00 0.00 C ATOM 293 CD GLU A 18 32.175 46.310 14.143 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.064 46.450 13.587 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.187 45.975 13.491 1.00 0.00 O ATOM 0 H GLU A 18 35.885 47.554 17.160 1.00 0.00 H new ATOM 0 HA GLU A 18 33.040 48.145 17.791 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.852 48.012 15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.424 46.387 15.740 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.120 45.634 16.188 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.520 47.265 15.961 1.00 0.00 H new ATOM 302 N PRO A 19 32.618 45.900 18.985 1.00 0.00 N ATOM 303 CA PRO A 19 32.458 44.678 19.748 1.00 0.00 C ATOM 304 C PRO A 19 32.879 43.405 19.010 1.00 0.00 C ATOM 305 O PRO A 19 33.334 42.447 19.629 1.00 0.00 O ATOM 306 CB PRO A 19 30.982 44.639 20.135 1.00 0.00 C ATOM 307 CG PRO A 19 30.593 46.112 20.207 1.00 0.00 C ATOM 308 CD PRO A 19 31.423 46.715 19.078 1.00 0.00 C ATOM 0 HA PRO A 19 33.123 44.694 20.611 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.387 44.103 19.396 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.831 44.137 21.091 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.524 46.260 20.052 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.838 46.552 21.174 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.870 46.706 18.139 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.674 47.754 19.290 1.00 0.00 H new ATOM 316 N SER A 20 32.771 43.428 17.684 1.00 0.00 N ATOM 317 CA SER A 20 33.168 42.387 16.757 1.00 0.00 C ATOM 318 C SER A 20 34.658 42.361 16.408 1.00 0.00 C ATOM 319 O SER A 20 35.075 41.464 15.678 1.00 0.00 O ATOM 320 CB SER A 20 32.362 42.514 15.469 1.00 0.00 C ATOM 321 OG SER A 20 30.984 42.664 15.728 1.00 0.00 O ATOM 0 H SER A 20 32.375 44.234 17.201 1.00 0.00 H new ATOM 0 HA SER A 20 32.964 41.450 17.275 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.720 43.371 14.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.522 41.630 14.851 1.00 0.00 H new ATOM 0 HG SER A 20 30.499 42.744 14.880 1.00 0.00 H new ATOM 327 N ASP A 21 35.468 43.309 16.869 1.00 0.00 N ATOM 328 CA ASP A 21 36.894 43.313 16.609 1.00 0.00 C ATOM 329 C ASP A 21 37.572 42.115 17.275 1.00 0.00 C ATOM 330 O ASP A 21 37.295 41.792 18.427 1.00 0.00 O ATOM 331 CB ASP A 21 37.569 44.598 17.079 1.00 0.00 C ATOM 332 CG ASP A 21 37.427 45.796 16.137 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.164 45.595 14.932 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.677 46.948 16.552 1.00 0.00 O ATOM 0 H ASP A 21 35.148 44.096 17.434 1.00 0.00 H new ATOM 0 HA ASP A 21 37.009 43.247 15.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.157 44.870 18.051 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.630 44.398 17.227 1.00 0.00 H new ATOM 339 N THR A 22 38.490 41.464 16.565 1.00 0.00 N ATOM 340 CA THR A 22 39.434 40.536 17.153 1.00 0.00 C ATOM 341 C THR A 22 40.534 41.281 17.912 1.00 0.00 C ATOM 342 O THR A 22 40.860 42.421 17.588 1.00 0.00 O ATOM 343 CB THR A 22 40.069 39.624 16.107 1.00 0.00 C ATOM 344 OG1 THR A 22 40.662 40.406 15.094 1.00 0.00 O ATOM 345 CG2 THR A 22 39.063 38.685 15.448 1.00 0.00 C ATOM 0 H THR A 22 38.595 41.571 15.556 1.00 0.00 H new ATOM 0 HA THR A 22 38.869 39.916 17.849 1.00 0.00 H new ATOM 0 HB THR A 22 40.808 39.018 16.631 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.071 39.819 14.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.574 38.062 14.714 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.606 38.051 16.207 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.290 39.271 14.951 1.00 0.00 H new ATOM 353 N ILE A 23 41.185 40.616 18.862 1.00 0.00 N ATOM 354 CA ILE A 23 42.411 41.109 19.457 1.00 0.00 C ATOM 355 C ILE A 23 43.514 41.243 18.406 1.00 0.00 C ATOM 356 O ILE A 23 44.299 42.187 18.466 1.00 0.00 O ATOM 357 CB ILE A 23 42.781 40.228 20.647 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.782 40.373 21.791 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.209 40.444 21.139 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.741 41.731 22.487 1.00 0.00 C ATOM 0 H ILE A 23 40.873 39.720 19.237 1.00 0.00 H new ATOM 0 HA ILE A 23 42.268 42.118 19.844 1.00 0.00 H new ATOM 0 HB ILE A 23 42.732 39.203 20.279 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.786 40.157 21.405 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.006 39.612 22.539 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.405 39.787 21.986 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.909 40.218 20.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.334 41.482 21.449 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.994 41.711 23.281 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.719 41.950 22.915 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.480 42.503 21.763 1.00 0.00 H new ATOM 372 N GLU A 24 43.518 40.416 17.364 1.00 0.00 N ATOM 373 CA GLU A 24 44.361 40.588 16.198 1.00 0.00 C ATOM 374 C GLU A 24 44.087 41.889 15.440 1.00 0.00 C ATOM 375 O GLU A 24 45.036 42.555 15.029 1.00 0.00 O ATOM 376 CB GLU A 24 44.217 39.360 15.304 1.00 0.00 C ATOM 377 CG GLU A 24 45.379 39.157 14.337 1.00 0.00 C ATOM 378 CD GLU A 24 46.641 38.671 15.052 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.834 37.441 15.163 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.458 39.510 15.490 1.00 0.00 O ATOM 0 H GLU A 24 42.920 39.591 17.312 1.00 0.00 H new ATOM 0 HA GLU A 24 45.395 40.677 16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.122 38.475 15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.293 39.446 14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.093 38.433 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.591 40.095 13.824 1.00 0.00 H new ATOM 387 N ASN A 25 42.839 42.325 15.306 1.00 0.00 N ATOM 388 CA ASN A 25 42.510 43.610 14.720 1.00 0.00 C ATOM 389 C ASN A 25 42.921 44.774 15.625 1.00 0.00 C ATOM 390 O ASN A 25 43.400 45.791 15.127 1.00 0.00 O ATOM 391 CB ASN A 25 41.035 43.682 14.338 1.00 0.00 C ATOM 392 CG ASN A 25 40.742 44.841 13.383 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.558 45.187 12.531 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.575 45.475 13.451 1.00 0.00 N ATOM 0 H ASN A 25 42.024 41.789 15.605 1.00 0.00 H new ATOM 0 HA ASN A 25 43.091 43.707 13.803 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.736 42.744 13.871 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.433 43.795 15.240 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.369 46.235 12.803 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.886 45.201 14.152 1.00 0.00 H new ATOM 401 N VAL A 26 42.822 44.634 16.944 1.00 0.00 N ATOM 402 CA VAL A 26 43.351 45.609 17.876 1.00 0.00 C ATOM 403 C VAL A 26 44.868 45.737 17.732 1.00 0.00 C ATOM 404 O VAL A 26 45.377 46.852 17.637 1.00 0.00 O ATOM 405 CB VAL A 26 42.927 45.313 19.312 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.551 46.284 20.311 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.413 45.422 19.466 1.00 0.00 C ATOM 0 H VAL A 26 42.370 43.837 17.392 1.00 0.00 H new ATOM 0 HA VAL A 26 42.919 46.578 17.624 1.00 0.00 H new ATOM 0 HB VAL A 26 43.271 44.300 19.520 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.219 46.033 21.318 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.637 46.212 20.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.242 47.301 20.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.136 45.207 20.498 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.093 46.431 19.207 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.927 44.706 18.803 1.00 0.00 H new ATOM 417 N LYS A 27 45.592 44.629 17.597 1.00 0.00 N ATOM 418 CA LYS A 27 47.014 44.630 17.318 1.00 0.00 C ATOM 419 C LYS A 27 47.355 45.255 15.963 1.00 0.00 C ATOM 420 O LYS A 27 48.355 45.961 15.854 1.00 0.00 O ATOM 421 CB LYS A 27 47.574 43.214 17.419 1.00 0.00 C ATOM 422 CG LYS A 27 47.560 42.657 18.839 1.00 0.00 C ATOM 423 CD LYS A 27 47.704 41.138 18.865 1.00 0.00 C ATOM 424 CE LYS A 27 49.051 40.652 18.339 1.00 0.00 C ATOM 425 NZ LYS A 27 48.977 39.245 17.915 1.00 0.00 N ATOM 0 H LYS A 27 45.195 43.693 17.681 1.00 0.00 H new ATOM 0 HA LYS A 27 47.486 45.258 18.074 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.994 42.555 16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.598 43.208 17.045 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.371 43.107 19.412 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.629 42.940 19.329 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.572 40.785 19.888 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.907 40.694 18.269 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.362 41.273 17.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.809 40.762 19.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.936 38.845 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.409 38.706 18.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.534 39.188 16.976 1.00 0.00 H new ATOM 439 N ALA A 28 46.504 45.079 14.956 1.00 0.00 N ATOM 440 CA ALA A 28 46.649 45.725 13.667 1.00 0.00 C ATOM 441 C ALA A 28 46.395 47.233 13.716 1.00 0.00 C ATOM 442 O ALA A 28 47.071 47.973 13.002 1.00 0.00 O ATOM 443 CB ALA A 28 45.744 45.036 12.649 1.00 0.00 C ATOM 0 H ALA A 28 45.685 44.474 15.019 1.00 0.00 H new ATOM 0 HA ALA A 28 47.689 45.618 13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.852 45.521 11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.026 43.987 12.563 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.707 45.108 12.977 1.00 0.00 H new ATOM 449 N LYS A 29 45.515 47.714 14.589 1.00 0.00 N ATOM 450 CA LYS A 29 45.328 49.123 14.870 1.00 0.00 C ATOM 451 C LYS A 29 46.536 49.714 15.601 1.00 0.00 C ATOM 452 O LYS A 29 46.981 50.808 15.260 1.00 0.00 O ATOM 453 CB LYS A 29 44.041 49.348 15.657 1.00 0.00 C ATOM 454 CG LYS A 29 42.773 49.147 14.833 1.00 0.00 C ATOM 455 CD LYS A 29 41.503 49.211 15.677 1.00 0.00 C ATOM 456 CE LYS A 29 40.285 49.066 14.769 1.00 0.00 C ATOM 457 NZ LYS A 29 39.010 49.150 15.498 1.00 0.00 N ATOM 0 H LYS A 29 44.897 47.112 15.133 1.00 0.00 H new ATOM 0 HA LYS A 29 45.239 49.646 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.022 48.667 16.508 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.045 50.361 16.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.726 49.909 14.055 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.821 48.181 14.330 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.510 48.418 16.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.458 50.157 16.216 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.313 49.844 14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.338 48.109 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.245 49.384 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.808 48.236 15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.075 49.890 16.226 1.00 0.00 H new ATOM 471 N ILE A 30 47.119 48.988 16.549 1.00 0.00 N ATOM 472 CA ILE A 30 48.340 49.380 17.224 1.00 0.00 C ATOM 473 C ILE A 30 49.521 49.403 16.251 1.00 0.00 C ATOM 474 O ILE A 30 50.325 50.332 16.305 1.00 0.00 O ATOM 475 CB ILE A 30 48.587 48.485 18.436 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.517 48.695 19.502 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.965 48.722 19.048 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.383 47.539 20.490 1.00 0.00 C ATOM 0 H ILE A 30 46.745 48.095 16.872 1.00 0.00 H new ATOM 0 HA ILE A 30 48.230 50.398 17.596 1.00 0.00 H new ATOM 0 HB ILE A 30 48.541 47.457 18.078 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.745 49.606 20.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.557 48.852 19.011 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.099 48.065 19.907 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.734 48.510 18.305 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.047 49.760 19.369 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.601 47.768 21.214 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.123 46.628 19.951 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.329 47.394 21.011 1.00 0.00 H new ATOM 490 N GLN A 31 49.613 48.466 15.313 1.00 0.00 N ATOM 491 CA GLN A 31 50.574 48.517 14.229 1.00 0.00 C ATOM 492 C GLN A 31 50.372 49.768 13.372 1.00 0.00 C ATOM 493 O GLN A 31 51.346 50.462 13.090 1.00 0.00 O ATOM 494 CB GLN A 31 50.500 47.260 13.368 1.00 0.00 C ATOM 495 CG GLN A 31 51.570 47.251 12.281 1.00 0.00 C ATOM 496 CD GLN A 31 51.470 46.076 11.306 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.594 45.217 11.382 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.375 45.990 10.336 1.00 0.00 N ATOM 0 H GLN A 31 49.013 47.642 15.288 1.00 0.00 H new ATOM 0 HA GLN A 31 51.568 48.566 14.673 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.617 46.380 14.000 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.514 47.193 12.908 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.506 48.182 11.717 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.552 47.232 12.754 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.108 46.695 10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.336 45.219 9.669 1.00 0.00 H new ATOM 507 N ASP A 32 49.139 50.089 12.987 1.00 0.00 N ATOM 508 CA ASP A 32 48.855 51.275 12.203 1.00 0.00 C ATOM 509 C ASP A 32 49.251 52.563 12.927 1.00 0.00 C ATOM 510 O ASP A 32 49.827 53.458 12.312 1.00 0.00 O ATOM 511 CB ASP A 32 47.375 51.265 11.832 1.00 0.00 C ATOM 512 CG ASP A 32 47.027 52.344 10.804 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.440 53.379 11.186 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.314 52.142 9.604 1.00 0.00 O ATOM 0 H ASP A 32 48.315 49.532 13.212 1.00 0.00 H new ATOM 0 HA ASP A 32 49.461 51.255 11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.109 50.286 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.776 51.416 12.730 1.00 0.00 H new ATOM 519 N LYS A 33 49.015 52.647 14.234 1.00 0.00 N ATOM 520 CA LYS A 33 49.295 53.815 15.044 1.00 0.00 C ATOM 521 C LYS A 33 50.772 54.009 15.394 1.00 0.00 C ATOM 522 O LYS A 33 51.283 55.117 15.253 1.00 0.00 O ATOM 523 CB LYS A 33 48.405 53.760 16.283 1.00 0.00 C ATOM 524 CG LYS A 33 48.390 55.018 17.147 1.00 0.00 C ATOM 525 CD LYS A 33 47.968 56.252 16.356 1.00 0.00 C ATOM 526 CE LYS A 33 47.632 57.436 17.258 1.00 0.00 C ATOM 527 NZ LYS A 33 47.422 58.638 16.436 1.00 0.00 N ATOM 0 H LYS A 33 48.611 51.878 14.768 1.00 0.00 H new ATOM 0 HA LYS A 33 49.062 54.698 14.450 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.384 53.549 15.965 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.726 52.922 16.901 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.708 54.874 17.985 1.00 0.00 H new ATOM 0 HG3 LYS A 33 49.382 55.180 17.568 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.770 56.535 15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.100 56.008 15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.736 57.220 17.840 1.00 0.00 H new ATOM 0 HE3 LYS A 33 48.441 57.606 17.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.193 59.444 17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 48.288 58.847 15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.636 58.473 15.775 1.00 0.00 H new ATOM 541 N GLU A 34 51.454 52.955 15.834 1.00 0.00 N ATOM 542 CA GLU A 34 52.777 52.986 16.426 1.00 0.00 C ATOM 543 C GLU A 34 53.852 52.260 15.615 1.00 0.00 C ATOM 544 O GLU A 34 55.021 52.279 15.994 1.00 0.00 O ATOM 545 CB GLU A 34 52.718 52.384 17.827 1.00 0.00 C ATOM 546 CG GLU A 34 51.915 53.180 18.852 1.00 0.00 C ATOM 547 CD GLU A 34 52.659 54.440 19.299 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.340 55.550 18.821 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.599 54.344 20.118 1.00 0.00 O ATOM 0 H GLU A 34 51.074 52.010 15.782 1.00 0.00 H new ATOM 0 HA GLU A 34 53.070 54.036 16.450 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.292 51.383 17.756 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.737 52.271 18.198 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.952 53.459 18.423 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.708 52.553 19.719 1.00 0.00 H new ATOM 556 N GLY A 35 53.500 51.583 14.526 1.00 0.00 N ATOM 557 CA GLY A 35 54.422 50.860 13.673 1.00 0.00 C ATOM 558 C GLY A 35 54.918 49.526 14.233 1.00 0.00 C ATOM 559 O GLY A 35 55.826 48.939 13.647 1.00 0.00 O ATOM 0 H GLY A 35 52.533 51.524 14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.937 50.675 12.715 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.285 51.496 13.476 1.00 0.00 H new ATOM 563 N ILE A 36 54.374 49.042 15.346 1.00 0.00 N ATOM 564 CA ILE A 36 54.839 47.869 16.059 1.00 0.00 C ATOM 565 C ILE A 36 54.307 46.597 15.393 1.00 0.00 C ATOM 566 O ILE A 36 53.090 46.442 15.345 1.00 0.00 O ATOM 567 CB ILE A 36 54.425 47.936 17.526 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.958 49.183 18.224 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.898 46.694 18.276 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.310 49.464 19.578 1.00 0.00 C ATOM 0 H ILE A 36 53.565 49.478 15.789 1.00 0.00 H new ATOM 0 HA ILE A 36 55.928 47.843 16.019 1.00 0.00 H new ATOM 0 HB ILE A 36 53.336 47.983 17.540 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.034 49.077 18.363 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.804 50.044 17.574 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.593 46.761 19.320 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.455 45.806 17.825 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.984 46.626 18.219 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.744 50.367 20.009 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.237 49.604 19.446 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.486 48.622 20.247 1.00 0.00 H new ATOM 582 N PRO A 37 55.135 45.668 14.924 1.00 0.00 N ATOM 583 CA PRO A 37 54.662 44.445 14.308 1.00 0.00 C ATOM 584 C PRO A 37 53.803 43.603 15.253 1.00 0.00 C ATOM 585 O PRO A 37 54.227 43.373 16.383 1.00 0.00 O ATOM 586 CB PRO A 37 55.901 43.676 13.858 1.00 0.00 C ATOM 587 CG PRO A 37 56.959 44.765 13.706 1.00 0.00 C ATOM 588 CD PRO A 37 56.577 45.745 14.811 1.00 0.00 C ATOM 0 HA PRO A 37 54.012 44.682 13.465 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.198 42.927 14.593 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.728 43.150 12.919 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.968 44.374 13.840 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.926 45.230 12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.058 45.480 15.753 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.897 46.757 14.564 1.00 0.00 H new ATOM 596 N PRO A 38 52.635 43.111 14.848 1.00 0.00 N ATOM 597 CA PRO A 38 51.748 42.350 15.704 1.00 0.00 C ATOM 598 C PRO A 38 52.348 41.101 16.353 1.00 0.00 C ATOM 599 O PRO A 38 51.953 40.770 17.469 1.00 0.00 O ATOM 600 CB PRO A 38 50.550 41.984 14.833 1.00 0.00 C ATOM 601 CG PRO A 38 50.459 43.170 13.878 1.00 0.00 C ATOM 602 CD PRO A 38 51.934 43.482 13.636 1.00 0.00 C ATOM 0 HA PRO A 38 51.492 42.969 16.564 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.707 41.046 14.301 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.641 41.867 15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.937 42.914 12.956 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.929 44.013 14.321 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.314 42.923 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.076 44.540 13.414 1.00 0.00 H new ATOM 610 N ASP A 39 53.347 40.470 15.744 1.00 0.00 N ATOM 611 CA ASP A 39 54.066 39.348 16.313 1.00 0.00 C ATOM 612 C ASP A 39 54.740 39.686 17.645 1.00 0.00 C ATOM 613 O ASP A 39 54.950 38.808 18.480 1.00 0.00 O ATOM 614 CB ASP A 39 55.114 38.881 15.307 1.00 0.00 C ATOM 615 CG ASP A 39 55.644 37.477 15.602 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.875 36.509 15.415 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.831 37.334 15.967 1.00 0.00 O ATOM 0 H ASP A 39 53.683 40.736 14.818 1.00 0.00 H new ATOM 0 HA ASP A 39 53.343 38.559 16.521 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.681 38.897 14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.947 39.584 15.305 1.00 0.00 H new ATOM 622 N GLN A 40 55.046 40.962 17.857 1.00 0.00 N ATOM 623 CA GLN A 40 55.741 41.508 19.005 1.00 0.00 C ATOM 624 C GLN A 40 54.799 42.058 20.079 1.00 0.00 C ATOM 625 O GLN A 40 55.277 42.529 21.109 1.00 0.00 O ATOM 626 CB GLN A 40 56.704 42.598 18.542 1.00 0.00 C ATOM 627 CG GLN A 40 57.641 42.160 17.420 1.00 0.00 C ATOM 628 CD GLN A 40 58.607 43.258 16.970 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.680 44.352 17.524 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.370 43.015 15.908 1.00 0.00 N ATOM 0 H GLN A 40 54.796 41.686 17.183 1.00 0.00 H new ATOM 0 HA GLN A 40 56.288 40.687 19.469 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.127 43.459 18.205 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.301 42.927 19.393 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.215 41.296 17.753 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.046 41.837 16.565 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.319 42.111 15.439 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.007 43.733 15.562 1.00 0.00 H new ATOM 639 N GLN A 41 53.487 42.013 19.875 1.00 0.00 N ATOM 640 CA GLN A 41 52.496 42.568 20.775 1.00 0.00 C ATOM 641 C GLN A 41 51.758 41.469 21.543 1.00 0.00 C ATOM 642 O GLN A 41 51.417 40.452 20.943 1.00 0.00 O ATOM 643 CB GLN A 41 51.466 43.369 19.984 1.00 0.00 C ATOM 644 CG GLN A 41 51.995 44.533 19.148 1.00 0.00 C ATOM 645 CD GLN A 41 50.840 45.238 18.434 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.738 45.354 18.967 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.983 45.698 17.194 1.00 0.00 N ATOM 0 H GLN A 41 53.076 41.574 19.051 1.00 0.00 H new ATOM 0 HA GLN A 41 53.022 43.208 21.483 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.940 42.684 19.319 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.729 43.761 20.685 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.522 45.240 19.788 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.715 44.167 18.416 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.883 45.618 16.721 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.192 46.130 16.716 1.00 0.00 H new ATOM 656 N ARG A 42 51.431 41.679 22.814 1.00 0.00 N ATOM 657 CA ARG A 42 50.470 40.892 23.562 1.00 0.00 C ATOM 658 C ARG A 42 49.560 41.789 24.402 1.00 0.00 C ATOM 659 O ARG A 42 50.053 42.676 25.096 1.00 0.00 O ATOM 660 CB ARG A 42 51.164 39.882 24.471 1.00 0.00 C ATOM 661 CG ARG A 42 52.018 38.827 23.772 1.00 0.00 C ATOM 662 CD ARG A 42 51.215 37.888 22.875 1.00 0.00 C ATOM 663 NE ARG A 42 52.072 36.867 22.273 1.00 0.00 N ATOM 664 CZ ARG A 42 52.930 37.026 21.256 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.090 38.188 20.608 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.676 35.985 20.862 1.00 0.00 N ATOM 0 H ARG A 42 51.845 42.430 23.367 1.00 0.00 H new ATOM 0 HA ARG A 42 49.865 40.351 22.834 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.797 40.428 25.170 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.403 39.372 25.061 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.779 39.326 23.172 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.541 38.238 24.525 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.429 37.408 23.458 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.724 38.463 22.090 1.00 0.00 H new ATOM 0 HE ARG A 42 52.010 35.930 22.671 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.544 39.005 20.883 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.757 38.256 19.840 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.587 35.086 21.335 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.333 36.092 20.089 1.00 0.00 H new ATOM 680 N LEU A 43 48.253 41.543 24.365 1.00 0.00 N ATOM 681 CA LEU A 43 47.278 42.234 25.183 1.00 0.00 C ATOM 682 C LEU A 43 47.005 41.463 26.476 1.00 0.00 C ATOM 683 O LEU A 43 46.863 40.242 26.442 1.00 0.00 O ATOM 684 CB LEU A 43 45.994 42.490 24.397 1.00 0.00 C ATOM 685 CG LEU A 43 45.979 43.641 23.395 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.221 45.001 24.045 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.968 43.469 22.247 1.00 0.00 C ATOM 0 H LEU A 43 47.840 40.842 23.750 1.00 0.00 H new ATOM 0 HA LEU A 43 47.690 43.204 25.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.746 41.576 23.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.193 42.664 25.115 1.00 0.00 H new ATOM 0 HG LEU A 43 44.969 43.611 22.987 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.199 45.778 23.281 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.443 45.195 24.783 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.195 45.002 24.535 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.900 44.326 21.576 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.980 43.400 22.646 1.00 0.00 H new ATOM 0 HD23 LEU A 43 46.732 42.558 21.697 1.00 0.00 H new ATOM 699 N ILE A 44 46.916 42.175 27.595 1.00 0.00 N ATOM 700 CA ILE A 44 46.816 41.645 28.940 1.00 0.00 C ATOM 701 C ILE A 44 45.631 42.262 29.688 1.00 0.00 C ATOM 702 O ILE A 44 45.408 43.469 29.615 1.00 0.00 O ATOM 703 CB ILE A 44 48.113 41.865 29.713 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.409 41.524 28.983 1.00 0.00 C ATOM 705 CG2 ILE A 44 48.091 41.140 31.056 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.637 40.065 28.601 1.00 0.00 C ATOM 0 H ILE A 44 46.912 43.195 27.581 1.00 0.00 H new ATOM 0 HA ILE A 44 46.645 40.571 28.861 1.00 0.00 H new ATOM 0 HB ILE A 44 48.132 42.946 29.848 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.449 42.121 28.072 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.242 41.842 29.610 1.00 0.00 H new ATOM 0 HG21 ILE A 44 49.030 41.318 31.581 1.00 0.00 H new ATOM 0 HG22 ILE A 44 47.263 41.514 31.658 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.965 40.070 30.890 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.595 39.968 28.090 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.642 39.450 29.501 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.837 39.733 27.939 1.00 0.00 H new ATOM 718 N PHE A 45 44.901 41.447 30.444 1.00 0.00 N ATOM 719 CA PHE A 45 43.927 41.862 31.433 1.00 0.00 C ATOM 720 C PHE A 45 43.782 40.809 32.533 1.00 0.00 C ATOM 721 O PHE A 45 43.876 39.618 32.249 1.00 0.00 O ATOM 722 CB PHE A 45 42.575 42.091 30.762 1.00 0.00 C ATOM 723 CG PHE A 45 41.488 42.576 31.690 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.543 43.872 32.218 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.429 41.730 32.038 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.541 44.316 33.088 1.00 0.00 C ATOM 727 CE2 PHE A 45 39.427 42.172 32.911 1.00 0.00 C ATOM 728 CZ PHE A 45 39.483 43.468 33.436 1.00 0.00 C ATOM 0 H PHE A 45 44.981 40.432 30.376 1.00 0.00 H new ATOM 0 HA PHE A 45 44.274 42.790 31.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.701 42.818 29.960 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.251 41.159 30.300 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.359 44.529 31.954 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.384 40.731 31.631 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.584 45.316 33.492 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.613 41.514 33.178 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.712 43.813 34.108 1.00 0.00 H new ATOM 738 N ALA A 46 43.507 41.212 33.771 1.00 0.00 N ATOM 739 CA ALA A 46 43.378 40.331 34.913 1.00 0.00 C ATOM 740 C ALA A 46 44.568 39.389 35.107 1.00 0.00 C ATOM 741 O ALA A 46 44.410 38.234 35.495 1.00 0.00 O ATOM 742 CB ALA A 46 42.015 39.643 34.873 1.00 0.00 C ATOM 0 H ALA A 46 43.364 42.194 34.007 1.00 0.00 H new ATOM 0 HA ALA A 46 43.412 40.934 35.820 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.917 38.980 35.732 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.227 40.395 34.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.927 39.063 33.955 1.00 0.00 H new ATOM 748 N GLY A 47 45.776 39.834 34.772 1.00 0.00 N ATOM 749 CA GLY A 47 46.988 39.039 34.785 1.00 0.00 C ATOM 750 C GLY A 47 47.098 37.971 33.695 1.00 0.00 C ATOM 751 O GLY A 47 48.089 37.244 33.665 1.00 0.00 O ATOM 0 H GLY A 47 45.937 40.796 34.473 1.00 0.00 H new ATOM 0 HA2 GLY A 47 47.841 39.711 34.696 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.068 38.550 35.756 1.00 0.00 H new ATOM 755 N LYS A 48 46.122 37.861 32.798 1.00 0.00 N ATOM 756 CA LYS A 48 46.035 36.866 31.748 1.00 0.00 C ATOM 757 C LYS A 48 46.285 37.485 30.372 1.00 0.00 C ATOM 758 O LYS A 48 45.833 38.593 30.088 1.00 0.00 O ATOM 759 CB LYS A 48 44.671 36.186 31.824 1.00 0.00 C ATOM 760 CG LYS A 48 44.646 34.842 31.101 1.00 0.00 C ATOM 761 CD LYS A 48 43.258 34.207 31.111 1.00 0.00 C ATOM 762 CE LYS A 48 43.278 32.767 30.605 1.00 0.00 C ATOM 763 NZ LYS A 48 43.760 32.652 29.220 1.00 0.00 N ATOM 0 H LYS A 48 45.329 38.503 32.789 1.00 0.00 H new ATOM 0 HA LYS A 48 46.813 36.117 31.893 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.401 36.037 32.869 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.917 36.842 31.390 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.973 34.980 30.070 1.00 0.00 H new ATOM 0 HG3 LYS A 48 45.357 34.164 31.573 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.858 34.228 32.125 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.585 34.799 30.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.914 32.167 31.256 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.273 32.351 30.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.688 31.662 28.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.181 33.253 28.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.753 32.959 29.171 1.00 0.00 H new ATOM 777 N GLN A 49 46.973 36.750 29.504 1.00 0.00 N ATOM 778 CA GLN A 49 47.123 37.076 28.100 1.00 0.00 C ATOM 779 C GLN A 49 45.830 36.810 27.326 1.00 0.00 C ATOM 780 O GLN A 49 45.221 35.753 27.481 1.00 0.00 O ATOM 781 CB GLN A 49 48.284 36.257 27.542 1.00 0.00 C ATOM 782 CG GLN A 49 48.545 36.475 26.055 1.00 0.00 C ATOM 783 CD GLN A 49 49.820 35.735 25.646 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.927 36.236 25.837 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.728 34.508 25.142 1.00 0.00 N ATOM 0 H GLN A 49 47.452 35.890 29.770 1.00 0.00 H new ATOM 0 HA GLN A 49 47.337 38.139 27.989 1.00 0.00 H new ATOM 0 HB2 GLN A 49 49.188 36.504 28.098 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.083 35.199 27.713 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.699 36.114 25.470 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.647 37.540 25.845 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.812 34.090 24.982 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.574 33.985 24.915 1.00 0.00 H new ATOM 794 N LEU A 50 45.449 37.739 26.453 1.00 0.00 N ATOM 795 CA LEU A 50 44.316 37.585 25.563 1.00 0.00 C ATOM 796 C LEU A 50 44.732 36.886 24.267 1.00 0.00 C ATOM 797 O LEU A 50 45.762 37.177 23.663 1.00 0.00 O ATOM 798 CB LEU A 50 43.629 38.919 25.288 1.00 0.00 C ATOM 799 CG LEU A 50 42.757 39.449 26.424 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.554 39.986 27.609 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.901 40.603 25.909 1.00 0.00 C ATOM 0 H LEU A 50 45.931 38.632 26.347 1.00 0.00 H new ATOM 0 HA LEU A 50 43.585 36.950 26.063 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.393 39.663 25.061 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.011 38.814 24.396 1.00 0.00 H new ATOM 0 HG LEU A 50 42.163 38.600 26.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.868 40.345 28.376 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.175 39.190 28.021 1.00 0.00 H new ATOM 0 HD13 LEU A 50 44.190 40.807 27.278 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.278 40.983 26.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 42.548 41.401 25.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.266 40.250 25.097 1.00 0.00 H new ATOM 813 N GLU A 51 43.891 35.945 23.846 1.00 0.00 N ATOM 814 CA GLU A 51 44.036 35.177 22.625 1.00 0.00 C ATOM 815 C GLU A 51 43.618 36.007 21.409 1.00 0.00 C ATOM 816 O GLU A 51 42.660 36.776 21.464 1.00 0.00 O ATOM 817 CB GLU A 51 43.198 33.905 22.718 1.00 0.00 C ATOM 818 CG GLU A 51 43.451 33.037 23.947 1.00 0.00 C ATOM 819 CD GLU A 51 42.412 31.920 24.062 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.640 31.873 25.045 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.378 31.061 23.156 1.00 0.00 O ATOM 0 H GLU A 51 43.056 35.690 24.373 1.00 0.00 H new ATOM 0 HA GLU A 51 45.084 34.906 22.501 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.144 34.184 22.703 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.382 33.304 21.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.449 32.603 23.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.424 33.656 24.844 1.00 0.00 H new ATOM 828 N ASP A 52 44.314 35.853 20.287 1.00 0.00 N ATOM 829 CA ASP A 52 44.330 36.832 19.218 1.00 0.00 C ATOM 830 C ASP A 52 43.139 36.722 18.263 1.00 0.00 C ATOM 831 O ASP A 52 42.574 37.740 17.873 1.00 0.00 O ATOM 832 CB ASP A 52 45.665 36.773 18.481 1.00 0.00 C ATOM 833 CG ASP A 52 46.860 36.868 19.431 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.328 37.986 19.738 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.369 35.811 19.862 1.00 0.00 O ATOM 0 H ASP A 52 44.889 35.032 20.097 1.00 0.00 H new ATOM 0 HA ASP A 52 44.223 37.814 19.680 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.725 35.842 17.918 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.714 37.587 17.758 1.00 0.00 H new ATOM 840 N GLY A 53 42.701 35.508 17.940 1.00 0.00 N ATOM 841 CA GLY A 53 41.515 35.270 17.142 1.00 0.00 C ATOM 842 C GLY A 53 40.189 35.473 17.878 1.00 0.00 C ATOM 843 O GLY A 53 39.131 35.411 17.255 1.00 0.00 O ATOM 0 H GLY A 53 43.172 34.652 18.233 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.538 35.933 16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.550 34.249 16.762 1.00 0.00 H new ATOM 847 N ARG A 54 40.230 35.730 19.182 1.00 0.00 N ATOM 848 CA ARG A 54 39.069 36.004 20.006 1.00 0.00 C ATOM 849 C ARG A 54 38.693 37.485 19.954 1.00 0.00 C ATOM 850 O ARG A 54 39.530 38.343 19.679 1.00 0.00 O ATOM 851 CB ARG A 54 39.273 35.509 21.435 1.00 0.00 C ATOM 852 CG ARG A 54 39.469 33.997 21.502 1.00 0.00 C ATOM 853 CD ARG A 54 39.505 33.482 22.938 1.00 0.00 C ATOM 854 NE ARG A 54 38.192 33.531 23.580 1.00 0.00 N ATOM 855 CZ ARG A 54 37.851 32.887 24.704 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.721 32.172 25.431 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.577 32.974 25.110 1.00 0.00 N ATOM 0 H ARG A 54 41.104 35.753 19.707 1.00 0.00 H new ATOM 0 HA ARG A 54 38.226 35.447 19.597 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.141 36.005 21.868 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.411 35.789 22.041 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.661 33.504 20.961 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.399 33.730 20.999 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.871 32.455 22.944 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.212 34.076 23.517 1.00 0.00 H new ATOM 0 HE ARG A 54 37.475 34.104 23.134 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.694 32.100 25.135 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.410 31.700 26.280 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.905 33.517 24.568 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.279 32.497 25.961 1.00 0.00 H new ATOM 871 N THR A 55 37.417 37.771 20.191 1.00 0.00 N ATOM 872 CA THR A 55 36.812 39.067 19.955 1.00 0.00 C ATOM 873 C THR A 55 36.444 39.818 21.236 1.00 0.00 C ATOM 874 O THR A 55 36.301 39.220 22.300 1.00 0.00 O ATOM 875 CB THR A 55 35.597 38.965 19.037 1.00 0.00 C ATOM 876 OG1 THR A 55 34.615 38.117 19.590 1.00 0.00 O ATOM 877 CG2 THR A 55 35.931 38.442 17.644 1.00 0.00 C ATOM 0 H THR A 55 36.761 37.085 20.563 1.00 0.00 H new ATOM 0 HA THR A 55 37.585 39.653 19.458 1.00 0.00 H new ATOM 0 HB THR A 55 35.226 39.986 18.944 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.846 38.069 18.985 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.021 38.395 17.045 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.646 39.111 17.166 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.364 37.445 17.724 1.00 0.00 H new ATOM 885 N LEU A 56 36.288 41.135 21.131 1.00 0.00 N ATOM 886 CA LEU A 56 36.046 41.992 22.273 1.00 0.00 C ATOM 887 C LEU A 56 34.788 41.601 23.052 1.00 0.00 C ATOM 888 O LEU A 56 34.881 41.436 24.267 1.00 0.00 O ATOM 889 CB LEU A 56 36.036 43.459 21.856 1.00 0.00 C ATOM 890 CG LEU A 56 37.344 43.980 21.268 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.264 45.497 21.134 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.576 43.671 22.114 1.00 0.00 C ATOM 0 H LEU A 56 36.327 41.634 20.242 1.00 0.00 H new ATOM 0 HA LEU A 56 36.875 41.848 22.966 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.243 43.605 21.122 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.781 44.065 22.726 1.00 0.00 H new ATOM 0 HG LEU A 56 37.459 43.473 20.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.196 45.875 20.714 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.436 45.761 20.476 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.102 45.941 22.116 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.463 44.075 21.626 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.465 44.125 23.099 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.682 42.592 22.222 1.00 0.00 H new ATOM 904 N SER A 57 33.648 41.382 22.403 1.00 0.00 N ATOM 905 CA SER A 57 32.448 40.956 23.093 1.00 0.00 C ATOM 906 C SER A 57 32.481 39.519 23.615 1.00 0.00 C ATOM 907 O SER A 57 31.838 39.246 24.627 1.00 0.00 O ATOM 908 CB SER A 57 31.202 41.179 22.240 1.00 0.00 C ATOM 909 OG SER A 57 31.274 40.514 20.998 1.00 0.00 O ATOM 0 H SER A 57 33.536 41.495 21.395 1.00 0.00 H new ATOM 0 HA SER A 57 32.405 41.592 23.977 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.325 40.831 22.785 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.068 42.247 22.070 1.00 0.00 H new ATOM 0 HG SER A 57 31.870 41.008 20.397 1.00 0.00 H new ATOM 915 N ASP A 58 33.277 38.627 23.031 1.00 0.00 N ATOM 916 CA ASP A 58 33.518 37.305 23.573 1.00 0.00 C ATOM 917 C ASP A 58 34.315 37.363 24.878 1.00 0.00 C ATOM 918 O ASP A 58 33.993 36.645 25.822 1.00 0.00 O ATOM 919 CB ASP A 58 34.216 36.436 22.532 1.00 0.00 C ATOM 920 CG ASP A 58 34.335 34.981 22.992 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.460 34.441 23.053 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.285 34.352 23.247 1.00 0.00 O ATOM 0 H ASP A 58 33.775 38.810 22.160 1.00 0.00 H new ATOM 0 HA ASP A 58 32.555 36.854 23.815 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.662 36.476 21.594 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.210 36.836 22.332 1.00 0.00 H new ATOM 927 N TYR A 59 35.272 38.281 24.981 1.00 0.00 N ATOM 928 CA TYR A 59 35.912 38.658 26.225 1.00 0.00 C ATOM 929 C TYR A 59 35.089 39.619 27.086 1.00 0.00 C ATOM 930 O TYR A 59 35.543 40.009 28.159 1.00 0.00 O ATOM 931 CB TYR A 59 37.317 39.184 25.945 1.00 0.00 C ATOM 932 CG TYR A 59 38.386 38.130 25.785 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.598 37.203 26.813 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.210 38.113 24.654 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.633 36.264 26.722 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.259 37.190 24.555 1.00 0.00 C ATOM 937 CZ TYR A 59 40.468 36.255 25.588 1.00 0.00 C ATOM 938 OH TYR A 59 41.490 35.356 25.501 1.00 0.00 O ATOM 0 H TYR A 59 35.629 38.794 24.175 1.00 0.00 H new ATOM 0 HA TYR A 59 35.987 37.756 26.832 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.286 39.786 25.037 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.606 39.849 26.759 1.00 0.00 H new ATOM 0 HD1 TYR A 59 37.958 37.212 27.683 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.036 38.816 23.853 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.790 35.550 27.517 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.905 37.195 23.690 1.00 0.00 H new ATOM 0 HH TYR A 59 41.129 34.446 25.537 1.00 0.00 H new ATOM 948 N ASN A 60 33.876 39.983 26.681 1.00 0.00 N ATOM 949 CA ASN A 60 33.015 40.956 27.321 1.00 0.00 C ATOM 950 C ASN A 60 33.712 42.275 27.665 1.00 0.00 C ATOM 951 O ASN A 60 33.618 42.802 28.771 1.00 0.00 O ATOM 952 CB ASN A 60 32.237 40.325 28.471 1.00 0.00 C ATOM 953 CG ASN A 60 31.021 41.161 28.877 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.566 42.058 28.171 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.445 40.874 30.041 1.00 0.00 N ATOM 0 H ASN A 60 33.448 39.579 25.848 1.00 0.00 H new ATOM 0 HA ASN A 60 32.274 41.264 26.584 1.00 0.00 H new ATOM 0 HB2 ASN A 60 31.908 39.327 28.180 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.896 40.206 29.331 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.626 41.398 30.348 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.823 40.129 30.627 1.00 0.00 H new ATOM 962 N ILE A 61 34.477 42.788 26.705 1.00 0.00 N ATOM 963 CA ILE A 61 35.066 44.111 26.710 1.00 0.00 C ATOM 964 C ILE A 61 34.021 45.088 26.166 1.00 0.00 C ATOM 965 O ILE A 61 33.288 44.784 25.228 1.00 0.00 O ATOM 966 CB ILE A 61 36.384 44.103 25.942 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.417 43.231 26.651 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.934 45.512 25.742 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.562 42.777 25.750 1.00 0.00 C ATOM 0 H ILE A 61 34.710 42.261 25.864 1.00 0.00 H new ATOM 0 HA ILE A 61 35.329 44.438 27.716 1.00 0.00 H new ATOM 0 HB ILE A 61 36.180 43.682 24.957 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.829 43.785 27.495 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.918 42.352 27.059 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.873 45.461 25.191 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.215 46.107 25.179 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.108 45.976 26.713 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.255 42.162 26.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.163 42.195 24.920 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.087 43.650 25.362 1.00 0.00 H new ATOM 981 N GLN A 62 33.929 46.250 26.807 1.00 0.00 N ATOM 982 CA GLN A 62 32.868 47.221 26.628 1.00 0.00 C ATOM 983 C GLN A 62 33.439 48.634 26.492 1.00 0.00 C ATOM 984 O GLN A 62 34.635 48.851 26.676 1.00 0.00 O ATOM 985 CB GLN A 62 31.919 47.105 27.817 1.00 0.00 C ATOM 986 CG GLN A 62 31.244 45.743 27.953 1.00 0.00 C ATOM 987 CD GLN A 62 30.273 45.648 29.132 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.967 46.613 29.829 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.727 44.468 29.411 1.00 0.00 N ATOM 0 H GLN A 62 34.623 46.547 27.492 1.00 0.00 H new ATOM 0 HA GLN A 62 32.321 47.020 25.707 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.474 47.315 28.731 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.149 47.871 27.728 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.705 45.522 27.032 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.012 44.977 28.064 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.964 43.651 28.848 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.072 44.380 30.188 1.00 0.00 H new ATOM 998 N LYS A 63 32.597 49.624 26.212 1.00 0.00 N ATOM 999 CA LYS A 63 32.934 51.032 26.273 1.00 0.00 C ATOM 1000 C LYS A 63 33.605 51.431 27.590 1.00 0.00 C ATOM 1001 O LYS A 63 33.288 50.889 28.646 1.00 0.00 O ATOM 1002 CB LYS A 63 31.687 51.874 26.016 1.00 0.00 C ATOM 1003 CG LYS A 63 30.553 51.658 27.014 1.00 0.00 C ATOM 1004 CD LYS A 63 29.293 52.415 26.605 1.00 0.00 C ATOM 1005 CE LYS A 63 28.090 51.873 27.370 1.00 0.00 C ATOM 1006 NZ LYS A 63 26.830 52.371 26.796 1.00 0.00 N ATOM 0 H LYS A 63 31.632 49.457 25.928 1.00 0.00 H new ATOM 0 HA LYS A 63 33.669 51.224 25.491 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.968 52.927 26.029 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.317 51.655 25.014 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.331 50.593 27.088 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.871 51.987 28.003 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.415 53.479 26.809 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.129 52.313 25.532 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.099 50.783 27.344 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.158 52.168 28.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.027 51.987 27.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.814 53.410 26.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.757 52.068 25.804 1.00 0.00 H new ATOM 1020 N GLU A 64 34.518 52.396 27.529 1.00 0.00 N ATOM 1021 CA GLU A 64 35.222 52.953 28.666 1.00 0.00 C ATOM 1022 C GLU A 64 36.128 51.961 29.399 1.00 0.00 C ATOM 1023 O GLU A 64 36.535 52.208 30.531 1.00 0.00 O ATOM 1024 CB GLU A 64 34.281 53.715 29.594 1.00 0.00 C ATOM 1025 CG GLU A 64 33.268 54.615 28.891 1.00 0.00 C ATOM 1026 CD GLU A 64 32.490 55.506 29.862 1.00 0.00 C ATOM 1027 OE1 GLU A 64 31.412 55.102 30.348 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.923 56.654 30.106 1.00 0.00 O ATOM 0 H GLU A 64 34.795 52.825 26.646 1.00 0.00 H new ATOM 0 HA GLU A 64 35.920 53.681 28.253 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.740 52.995 30.208 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.879 54.326 30.271 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.788 55.242 28.167 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.566 53.996 28.331 1.00 0.00 H new ATOM 1035 N SER A 65 36.470 50.839 28.771 1.00 0.00 N ATOM 1036 CA SER A 65 37.353 49.829 29.316 1.00 0.00 C ATOM 1037 C SER A 65 38.834 50.195 29.193 1.00 0.00 C ATOM 1038 O SER A 65 39.242 50.835 28.227 1.00 0.00 O ATOM 1039 CB SER A 65 37.138 48.464 28.668 1.00 0.00 C ATOM 1040 OG SER A 65 35.817 48.011 28.863 1.00 0.00 O ATOM 0 H SER A 65 36.126 50.607 27.839 1.00 0.00 H new ATOM 0 HA SER A 65 37.093 49.778 30.373 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.350 48.527 27.601 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.839 47.743 29.090 1.00 0.00 H new ATOM 0 HG SER A 65 35.203 48.553 28.325 1.00 0.00 H new ATOM 1046 N THR A 66 39.650 49.718 30.129 1.00 0.00 N ATOM 1047 CA THR A 66 41.092 49.854 30.122 1.00 0.00 C ATOM 1048 C THR A 66 41.788 48.492 30.071 1.00 0.00 C ATOM 1049 O THR A 66 41.427 47.583 30.815 1.00 0.00 O ATOM 1050 CB THR A 66 41.560 50.692 31.308 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.061 52.003 31.184 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.076 50.853 31.382 1.00 0.00 C ATOM 0 H THR A 66 39.305 49.207 30.942 1.00 0.00 H new ATOM 0 HA THR A 66 41.376 50.382 29.212 1.00 0.00 H new ATOM 0 HB THR A 66 41.201 50.165 32.192 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.360 52.540 31.947 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.336 51.460 32.249 1.00 0.00 H new ATOM 0 HG22 THR A 66 43.542 49.872 31.473 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.435 51.342 30.476 1.00 0.00 H new ATOM 1060 N LEU A 67 42.802 48.359 29.220 1.00 0.00 N ATOM 1061 CA LEU A 67 43.568 47.156 28.969 1.00 0.00 C ATOM 1062 C LEU A 67 45.070 47.445 28.949 1.00 0.00 C ATOM 1063 O LEU A 67 45.477 48.586 28.743 1.00 0.00 O ATOM 1064 CB LEU A 67 43.143 46.544 27.636 1.00 0.00 C ATOM 1065 CG LEU A 67 41.674 46.158 27.496 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.399 45.720 26.060 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.269 45.011 28.418 1.00 0.00 C ATOM 0 H LEU A 67 43.126 49.143 28.654 1.00 0.00 H new ATOM 0 HA LEU A 67 43.370 46.453 29.778 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.386 47.252 26.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.747 45.653 27.463 1.00 0.00 H new ATOM 0 HG LEU A 67 41.094 47.039 27.771 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.349 45.444 25.959 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.626 46.541 25.380 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.025 44.862 25.815 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.213 44.782 28.272 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.866 44.129 28.186 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.438 45.301 29.455 1.00 0.00 H new ATOM 1079 N HIS A 68 45.907 46.428 29.129 1.00 0.00 N ATOM 1080 CA HIS A 68 47.352 46.542 29.109 1.00 0.00 C ATOM 1081 C HIS A 68 47.969 45.938 27.845 1.00 0.00 C ATOM 1082 O HIS A 68 47.451 44.971 27.291 1.00 0.00 O ATOM 1083 CB HIS A 68 47.937 45.937 30.382 1.00 0.00 C ATOM 1084 CG HIS A 68 48.016 46.903 31.531 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.161 47.147 32.287 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.018 47.739 31.961 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.844 48.120 33.143 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.567 48.502 32.973 1.00 0.00 N ATOM 0 H HIS A 68 45.584 45.475 29.297 1.00 0.00 H new ATOM 0 HA HIS A 68 47.608 47.601 29.082 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.330 45.082 30.679 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.937 45.559 30.168 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.007 47.791 31.585 1.00 0.00 H new ATOM 0 HE1 HIS A 68 49.520 48.542 33.872 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.086 49.230 33.501 1.00 0.00 H new ATOM 1096 N LEU A 69 49.100 46.486 27.409 1.00 0.00 N ATOM 1097 CA LEU A 69 49.884 46.045 26.274 1.00 0.00 C ATOM 1098 C LEU A 69 51.338 45.828 26.700 1.00 0.00 C ATOM 1099 O LEU A 69 51.975 46.760 27.186 1.00 0.00 O ATOM 1100 CB LEU A 69 49.775 47.105 25.180 1.00 0.00 C ATOM 1101 CG LEU A 69 50.707 46.946 23.982 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.383 45.714 23.141 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.608 48.178 23.088 1.00 0.00 C ATOM 0 H LEU A 69 49.512 47.297 27.870 1.00 0.00 H new ATOM 0 HA LEU A 69 49.510 45.095 25.891 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.748 47.114 24.815 1.00 0.00 H new ATOM 0 HB3 LEU A 69 49.961 48.080 25.630 1.00 0.00 H new ATOM 0 HG LEU A 69 51.714 46.827 24.381 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.078 45.652 22.303 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.476 44.819 23.756 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.364 45.790 22.762 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.274 48.062 22.233 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.583 48.291 22.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.896 49.063 23.655 1.00 0.00 H new ATOM 1115 N VAL A 70 51.879 44.637 26.462 1.00 0.00 N ATOM 1116 CA VAL A 70 53.270 44.305 26.694 1.00 0.00 C ATOM 1117 C VAL A 70 53.966 43.878 25.400 1.00 0.00 C ATOM 1118 O VAL A 70 53.337 43.310 24.509 1.00 0.00 O ATOM 1119 CB VAL A 70 53.462 43.283 27.810 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.885 43.782 29.133 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.867 41.914 27.490 1.00 0.00 C ATOM 0 H VAL A 70 51.339 43.855 26.091 1.00 0.00 H new ATOM 0 HA VAL A 70 53.752 45.219 27.042 1.00 0.00 H new ATOM 0 HB VAL A 70 54.541 43.162 27.901 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.040 43.028 29.905 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.385 44.706 29.423 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.817 43.968 29.017 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.040 41.237 28.327 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.795 42.014 27.320 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.340 41.512 26.594 1.00 0.00 H new ATOM 1131 N LEU A 71 55.261 44.163 25.292 1.00 0.00 N ATOM 1132 CA LEU A 71 56.022 43.982 24.073 1.00 0.00 C ATOM 1133 C LEU A 71 57.060 42.864 24.188 1.00 0.00 C ATOM 1134 O LEU A 71 57.923 42.865 25.063 1.00 0.00 O ATOM 1135 CB LEU A 71 56.630 45.304 23.614 1.00 0.00 C ATOM 1136 CG LEU A 71 55.647 46.445 23.366 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.408 47.663 22.848 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.564 46.090 22.351 1.00 0.00 C ATOM 0 H LEU A 71 55.814 44.532 26.065 1.00 0.00 H new ATOM 0 HA LEU A 71 55.329 43.654 23.299 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.351 45.629 24.364 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.187 45.125 22.694 1.00 0.00 H new ATOM 0 HG LEU A 71 55.158 46.651 24.318 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.709 48.480 22.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.147 47.972 23.588 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.913 47.408 21.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 53.897 46.942 22.218 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.028 45.840 21.397 1.00 0.00 H new ATOM 0 HD23 LEU A 71 53.993 45.235 22.712 1.00 0.00 H new ATOM 1150 N ARG A 72 56.994 41.927 23.245 1.00 0.00 N ATOM 1151 CA ARG A 72 57.824 40.750 23.085 1.00 0.00 C ATOM 1152 C ARG A 72 58.972 41.038 22.116 1.00 0.00 C ATOM 1153 O ARG A 72 59.088 40.417 21.061 1.00 0.00 O ATOM 1154 CB ARG A 72 56.917 39.593 22.676 1.00 0.00 C ATOM 1155 CG ARG A 72 57.527 38.194 22.681 1.00 0.00 C ATOM 1156 CD ARG A 72 58.088 37.714 24.015 1.00 0.00 C ATOM 1157 NE ARG A 72 57.170 37.891 25.141 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.980 37.310 25.349 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.442 36.391 24.538 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.278 37.694 26.424 1.00 0.00 N ATOM 0 H ARG A 72 56.291 41.984 22.509 1.00 0.00 H new ATOM 0 HA ARG A 72 58.314 40.465 24.016 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.054 39.588 23.342 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.543 39.795 21.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.765 37.486 22.354 1.00 0.00 H new ATOM 0 HG3 ARG A 72 58.327 38.166 21.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.346 36.658 23.931 1.00 0.00 H new ATOM 0 HD3 ARG A 72 59.013 38.252 24.224 1.00 0.00 H new ATOM 0 HE ARG A 72 57.476 38.543 25.863 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.944 36.093 23.701 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.530 35.989 24.757 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.654 38.406 27.051 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.368 37.275 26.615 1.00 0.00 H new ATOM 1174 N LEU A 73 59.775 42.048 22.436 1.00 0.00 N ATOM 1175 CA LEU A 73 60.869 42.528 21.615 1.00 0.00 C ATOM 1176 C LEU A 73 62.082 41.601 21.724 1.00 0.00 C ATOM 1177 O LEU A 73 62.431 41.181 22.825 1.00 0.00 O ATOM 1178 CB LEU A 73 61.252 43.949 22.020 1.00 0.00 C ATOM 1179 CG LEU A 73 60.127 44.980 22.044 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.663 46.337 22.492 1.00 0.00 C ATOM 1181 CD2 LEU A 73 59.465 45.157 20.681 1.00 0.00 C ATOM 0 H LEU A 73 59.674 42.570 23.306 1.00 0.00 H new ATOM 0 HA LEU A 73 60.537 42.535 20.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.700 43.911 23.013 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.023 44.302 21.335 1.00 0.00 H new ATOM 0 HG LEU A 73 59.382 44.605 22.745 1.00 0.00 H new ATOM 0 HD11 LEU A 73 59.850 47.063 22.505 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.086 46.249 23.493 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.436 46.670 21.799 1.00 0.00 H new ATOM 0 HD21 LEU A 73 58.672 45.901 20.755 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.208 45.489 19.956 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.041 44.207 20.356 1.00 0.00 H new ATOM 1193 N ARG A 74 62.744 41.315 20.608 1.00 0.00 N ATOM 1194 CA ARG A 74 63.943 40.505 20.528 1.00 0.00 C ATOM 1195 C ARG A 74 65.126 41.221 19.874 1.00 0.00 C ATOM 1196 O ARG A 74 66.259 40.790 20.072 1.00 0.00 O ATOM 1197 CB ARG A 74 63.647 39.199 19.797 1.00 0.00 C ATOM 1198 CG ARG A 74 62.756 38.250 20.594 1.00 0.00 C ATOM 1199 CD ARG A 74 62.368 37.000 19.808 1.00 0.00 C ATOM 1200 NE ARG A 74 63.497 36.108 19.541 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.980 35.744 18.345 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.565 36.277 17.188 1.00 0.00 N ATOM 1203 NH2 ARG A 74 64.927 34.798 18.285 1.00 0.00 N ATOM 0 H ARG A 74 62.442 41.659 19.697 1.00 0.00 H new ATOM 0 HA ARG A 74 64.242 40.299 21.556 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.166 39.424 18.845 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.587 38.697 19.568 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.274 37.953 21.506 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.852 38.777 20.898 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.606 36.453 20.363 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.919 37.300 18.861 1.00 0.00 H new ATOM 0 HE ARG A 74 63.970 35.720 20.357 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.845 36.999 17.189 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.969 35.960 16.307 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.271 34.365 19.142 1.00 0.00 H new ATOM 0 HH22 ARG A 74 65.304 34.511 17.382 1.00 0.00 H new ATOM 1217 N GLY A 75 64.900 42.271 19.089 1.00 0.00 N ATOM 1218 CA GLY A 75 65.898 42.799 18.181 1.00 0.00 C ATOM 1219 C GLY A 75 66.308 41.770 17.127 1.00 0.00 C ATOM 1220 O GLY A 75 65.574 40.819 16.864 1.00 0.00 O ATOM 0 H GLY A 75 64.015 42.777 19.069 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.506 43.688 17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.776 43.109 18.747 1.00 0.00 H new ATOM 1224 N GLY A 76 67.479 41.949 16.523 1.00 0.00 N ATOM 1225 CA GLY A 76 68.081 41.037 15.570 1.00 0.00 C ATOM 1226 C GLY A 76 68.956 41.738 14.530 1.00 0.00 C ATOM 1227 O GLY A 76 69.631 42.734 14.870 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.939 41.279 13.367 1.00 0.00 O ATOM 0 H GLY A 76 68.056 42.772 16.696 1.00 0.00 H new ATOM 0 HA2 GLY A 76 68.684 40.306 16.109 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.293 40.485 15.058 1.00 0.00 H new TER 1232 GLY A 76