USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1084 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 101 SER OG : rot 117:sc= -0.25 USER MOD Set 1.2: A 135 GLN : amide:sc= 0.512 K(o=0.26,f=-6.5!) USER MOD Single : A 3 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 88:sc= 0.841 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.82 F(o=-2.6,f=-0.82) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.525 K(o=-0.53,f=-1.5) USER MOD Single : A 62 THR OG1 : rot 54:sc= 1.2 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -5.98! C(o=-6!,f=-6.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 84:sc= 0.323! USER MOD Single : A 111 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.12) USER MOD Single : A 115 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0866) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.582 F(o=-6.1!,f=-0.58) USER MOD Single : A 138 TYR OH : rot 173:sc= 0.00386 USER MOD Single : A 143 GLN : amide:sc= -0.355 K(o=-0.35,f=-1.2) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -120:sc=-0.00142 (180deg=-0.00889) USER MOD Single : A 146 THR OG1 : rot 12:sc= -6.61! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 48.358 -15.045 14.513 1.00 20.16 N ATOM 2 CA GLN A 3 49.515 -15.591 13.812 1.00 19.97 C ATOM 3 C GLN A 3 49.588 -15.043 12.391 1.00 17.59 C ATOM 4 O GLN A 3 48.844 -15.474 11.510 1.00 19.14 O ATOM 5 CB GLN A 3 49.426 -17.118 13.768 1.00 20.20 C ATOM 6 CG GLN A 3 50.615 -17.677 12.985 1.00 23.46 C ATOM 7 CD GLN A 3 50.855 -19.133 13.370 1.00 22.58 C ATOM 8 OE1 GLN A 3 50.463 -19.562 14.455 1.00 23.20 O ATOM 9 NE2 GLN A 3 51.480 -19.923 12.540 1.00 23.18 N ATOM 0 HA GLN A 3 50.415 -15.295 14.350 1.00 19.97 H new ATOM 0 HB2 GLN A 3 49.422 -17.522 14.780 1.00 20.20 H new ATOM 0 HB3 GLN A 3 48.491 -17.425 13.299 1.00 20.20 H new ATOM 0 HG2 GLN A 3 50.424 -17.602 11.915 1.00 23.46 H new ATOM 0 HG3 GLN A 3 51.507 -17.086 13.191 1.00 23.46 H new ATOM 0 HE21 GLN A 3 51.804 -19.565 11.641 1.00 23.18 H new ATOM 0 HE22 GLN A 3 51.644 -20.898 12.790 1.00 23.18 H new ATOM 18 N LEU A 4 50.490 -14.091 12.175 1.00 13.49 N ATOM 19 CA LEU A 4 50.652 -13.491 10.856 1.00 12.54 C ATOM 20 C LEU A 4 51.439 -14.421 9.937 1.00 9.75 C ATOM 21 O LEU A 4 52.533 -14.869 10.281 1.00 11.53 O ATOM 22 CB LEU A 4 51.383 -12.153 10.977 1.00 12.03 C ATOM 23 CG LEU A 4 50.735 -11.130 10.043 1.00 14.38 C ATOM 24 CD1 LEU A 4 49.370 -10.721 10.600 1.00 12.06 C ATOM 25 CD2 LEU A 4 51.632 -9.894 9.940 1.00 13.89 C ATOM 0 H LEU A 4 51.116 -13.721 12.891 1.00 13.49 H new ATOM 0 HA LEU A 4 49.663 -13.327 10.428 1.00 12.54 H new ATOM 0 HB2 LEU A 4 51.344 -11.797 12.007 1.00 12.03 H new ATOM 0 HB3 LEU A 4 52.436 -12.278 10.723 1.00 12.03 H new ATOM 0 HG LEU A 4 50.607 -11.572 9.055 1.00 14.38 H new ATOM 0 HD11 LEU A 4 48.909 -9.992 9.934 1.00 12.06 H new ATOM 0 HD12 LEU A 4 48.730 -11.600 10.675 1.00 12.06 H new ATOM 0 HD13 LEU A 4 49.498 -10.279 11.588 1.00 12.06 H new ATOM 0 HD21 LEU A 4 51.171 -9.164 9.274 1.00 13.89 H new ATOM 0 HD22 LEU A 4 51.760 -9.454 10.929 1.00 13.89 H new ATOM 0 HD23 LEU A 4 52.605 -10.183 9.543 1.00 13.89 H new ATOM 37 N THR A 5 50.875 -14.706 8.768 1.00 7.34 N ATOM 38 CA THR A 5 51.533 -15.584 7.808 1.00 2.31 C ATOM 39 C THR A 5 52.761 -14.902 7.213 1.00 2.00 C ATOM 40 O THR A 5 52.812 -13.677 7.108 1.00 2.00 O ATOM 41 CB THR A 5 50.559 -15.955 6.687 1.00 2.00 C ATOM 42 OG1 THR A 5 50.064 -14.770 6.081 1.00 2.35 O ATOM 43 CG2 THR A 5 49.395 -16.761 7.265 1.00 2.65 C ATOM 0 H THR A 5 49.971 -14.345 8.464 1.00 7.34 H new ATOM 0 HA THR A 5 51.850 -16.488 8.328 1.00 2.31 H new ATOM 0 HB THR A 5 51.077 -16.556 5.940 1.00 2.00 H new ATOM 0 HG1 THR A 5 49.441 -15.006 5.362 1.00 2.35 H new ATOM 0 HG21 THR A 5 48.702 -17.024 6.466 1.00 2.65 H new ATOM 0 HG22 THR A 5 49.777 -17.671 7.729 1.00 2.65 H new ATOM 0 HG23 THR A 5 48.875 -16.163 8.013 1.00 2.65 H new ATOM 51 N GLU A 6 53.747 -15.704 6.825 1.00 2.00 N ATOM 52 CA GLU A 6 54.971 -15.166 6.242 1.00 2.00 C ATOM 53 C GLU A 6 54.647 -14.269 5.051 1.00 2.00 C ATOM 54 O GLU A 6 55.114 -13.133 4.973 1.00 2.00 O ATOM 55 CB GLU A 6 55.881 -16.310 5.790 1.00 2.00 C ATOM 56 CG GLU A 6 56.492 -16.992 7.016 1.00 2.39 C ATOM 57 CD GLU A 6 57.879 -16.422 7.293 1.00 7.12 C ATOM 58 OE1 GLU A 6 58.847 -17.093 6.977 1.00 4.58 O ATOM 59 OE2 GLU A 6 57.952 -15.323 7.817 1.00 2.00 O ATOM 0 H GLU A 6 53.724 -16.721 6.903 1.00 2.00 H new ATOM 0 HA GLU A 6 55.483 -14.573 7.000 1.00 2.00 H new ATOM 0 HB2 GLU A 6 55.312 -17.032 5.205 1.00 2.00 H new ATOM 0 HB3 GLU A 6 56.670 -15.927 5.143 1.00 2.00 H new ATOM 0 HG2 GLU A 6 55.849 -16.843 7.883 1.00 2.39 H new ATOM 0 HG3 GLU A 6 56.558 -18.067 6.849 1.00 2.39 H new ATOM 66 N GLU A 7 53.846 -14.788 4.127 1.00 2.00 N ATOM 67 CA GLU A 7 53.466 -14.025 2.944 1.00 2.00 C ATOM 68 C GLU A 7 53.013 -12.622 3.334 1.00 2.00 C ATOM 69 O GLU A 7 53.360 -11.641 2.675 1.00 2.00 O ATOM 70 CB GLU A 7 52.335 -14.740 2.201 1.00 2.00 C ATOM 71 CG GLU A 7 52.787 -16.151 1.819 1.00 2.00 C ATOM 72 CD GLU A 7 51.872 -16.716 0.738 1.00 6.50 C ATOM 73 OE1 GLU A 7 50.713 -16.333 0.711 1.00 4.99 O ATOM 74 OE2 GLU A 7 52.342 -17.523 -0.046 1.00 6.85 O ATOM 0 H GLU A 7 53.450 -15.727 4.173 1.00 2.00 H new ATOM 0 HA GLU A 7 54.336 -13.946 2.292 1.00 2.00 H new ATOM 0 HB2 GLU A 7 51.446 -14.789 2.830 1.00 2.00 H new ATOM 0 HB3 GLU A 7 52.062 -14.180 1.307 1.00 2.00 H new ATOM 0 HG2 GLU A 7 53.816 -16.128 1.461 1.00 2.00 H new ATOM 0 HG3 GLU A 7 52.770 -16.798 2.696 1.00 2.00 H new ATOM 81 N GLN A 8 52.237 -12.533 4.409 1.00 2.00 N ATOM 82 CA GLN A 8 51.743 -11.244 4.879 1.00 2.00 C ATOM 83 C GLN A 8 52.844 -10.481 5.608 1.00 2.00 C ATOM 84 O GLN A 8 53.013 -9.278 5.411 1.00 2.26 O ATOM 85 CB GLN A 8 50.554 -11.452 5.820 1.00 2.98 C ATOM 86 CG GLN A 8 49.413 -10.513 5.420 1.00 3.96 C ATOM 87 CD GLN A 8 48.380 -10.443 6.539 1.00 6.08 C ATOM 88 OE1 GLN A 8 48.268 -11.370 7.342 1.00 7.35 O ATOM 89 NE2 GLN A 8 47.613 -9.392 6.641 1.00 15.10 N ATOM 0 H GLN A 8 51.938 -13.332 4.968 1.00 2.00 H new ATOM 0 HA GLN A 8 51.425 -10.661 4.015 1.00 2.00 H new ATOM 0 HB2 GLN A 8 50.219 -12.488 5.775 1.00 2.98 H new ATOM 0 HB3 GLN A 8 50.854 -11.258 6.850 1.00 2.98 H new ATOM 0 HG2 GLN A 8 49.806 -9.517 5.213 1.00 3.96 H new ATOM 0 HG3 GLN A 8 48.944 -10.867 4.502 1.00 3.96 H new ATOM 0 HE21 GLN A 8 47.707 -8.625 5.975 1.00 15.10 H new ATOM 0 HE22 GLN A 8 46.919 -9.337 7.387 1.00 15.10 H new ATOM 98 N ILE A 9 53.590 -11.189 6.449 1.00 2.00 N ATOM 99 CA ILE A 9 54.673 -10.568 7.203 1.00 2.00 C ATOM 100 C ILE A 9 55.716 -9.982 6.257 1.00 3.62 C ATOM 101 O ILE A 9 56.392 -9.008 6.589 1.00 2.00 O ATOM 102 CB ILE A 9 55.333 -11.600 8.117 1.00 2.16 C ATOM 103 CG1 ILE A 9 54.330 -12.054 9.180 1.00 2.00 C ATOM 104 CG2 ILE A 9 56.550 -10.974 8.801 1.00 4.72 C ATOM 105 CD1 ILE A 9 54.848 -13.321 9.864 1.00 2.00 C ATOM 0 H ILE A 9 53.466 -12.186 6.625 1.00 2.00 H new ATOM 0 HA ILE A 9 54.254 -9.764 7.808 1.00 2.00 H new ATOM 0 HB ILE A 9 55.651 -12.458 7.525 1.00 2.16 H new ATOM 0 HG12 ILE A 9 54.183 -11.264 9.917 1.00 2.00 H new ATOM 0 HG13 ILE A 9 53.360 -12.246 8.721 1.00 2.00 H new ATOM 0 HG21 ILE A 9 57.020 -11.711 9.453 1.00 4.72 H new ATOM 0 HG22 ILE A 9 57.265 -10.649 8.045 1.00 4.72 H new ATOM 0 HG23 ILE A 9 56.233 -10.116 9.393 1.00 4.72 H new ATOM 0 HD11 ILE A 9 54.133 -13.644 10.621 1.00 2.00 H new ATOM 0 HD12 ILE A 9 54.972 -14.110 9.122 1.00 2.00 H new ATOM 0 HD13 ILE A 9 55.808 -13.113 10.337 1.00 2.00 H new ATOM 117 N ALA A 10 55.842 -10.582 5.078 1.00 5.09 N ATOM 118 CA ALA A 10 56.807 -10.110 4.092 1.00 5.63 C ATOM 119 C ALA A 10 56.328 -8.810 3.453 1.00 4.82 C ATOM 120 O ALA A 10 57.002 -7.783 3.532 1.00 4.15 O ATOM 121 CB ALA A 10 57.007 -11.171 3.008 1.00 6.68 C ATOM 0 H ALA A 10 55.293 -11.390 4.784 1.00 5.09 H new ATOM 0 HA ALA A 10 57.755 -9.925 4.598 1.00 5.63 H new ATOM 0 HB1 ALA A 10 57.729 -10.811 2.275 1.00 6.68 H new ATOM 0 HB2 ALA A 10 57.378 -12.090 3.462 1.00 6.68 H new ATOM 0 HB3 ALA A 10 56.056 -11.369 2.513 1.00 6.68 H new ATOM 127 N GLU A 11 55.161 -8.863 2.819 1.00 2.54 N ATOM 128 CA GLU A 11 54.602 -7.683 2.170 1.00 3.13 C ATOM 129 C GLU A 11 54.628 -6.488 3.116 1.00 5.12 C ATOM 130 O GLU A 11 54.774 -5.344 2.684 1.00 4.53 O ATOM 131 CB GLU A 11 53.162 -7.959 1.733 1.00 2.38 C ATOM 132 CG GLU A 11 53.166 -8.658 0.372 1.00 4.44 C ATOM 133 CD GLU A 11 51.800 -9.280 0.102 1.00 7.86 C ATOM 134 OE1 GLU A 11 51.662 -9.940 -0.915 1.00 9.34 O ATOM 135 OE2 GLU A 11 50.912 -9.087 0.916 1.00 18.49 O ATOM 0 H GLU A 11 54.588 -9.703 2.741 1.00 2.54 H new ATOM 0 HA GLU A 11 55.209 -7.452 1.295 1.00 3.13 H new ATOM 0 HB2 GLU A 11 52.660 -8.583 2.472 1.00 2.38 H new ATOM 0 HB3 GLU A 11 52.604 -7.025 1.672 1.00 2.38 H new ATOM 0 HG2 GLU A 11 53.411 -7.942 -0.413 1.00 4.44 H new ATOM 0 HG3 GLU A 11 53.936 -9.429 0.352 1.00 4.44 H new ATOM 142 N PHE A 12 54.485 -6.760 4.409 1.00 3.94 N ATOM 143 CA PHE A 12 54.494 -5.698 5.409 1.00 5.41 C ATOM 144 C PHE A 12 55.839 -4.980 5.415 1.00 3.84 C ATOM 145 O PHE A 12 55.899 -3.752 5.360 1.00 4.14 O ATOM 146 CB PHE A 12 54.218 -6.282 6.795 1.00 4.97 C ATOM 147 CG PHE A 12 52.761 -6.091 7.142 1.00 7.97 C ATOM 148 CD1 PHE A 12 52.225 -4.801 7.225 1.00 13.16 C ATOM 149 CD2 PHE A 12 51.946 -7.205 7.380 1.00 11.29 C ATOM 150 CE1 PHE A 12 50.874 -4.624 7.546 1.00 14.89 C ATOM 151 CE2 PHE A 12 50.595 -7.028 7.701 1.00 13.52 C ATOM 152 CZ PHE A 12 50.059 -5.737 7.785 1.00 12.41 C ATOM 0 H PHE A 12 54.362 -7.699 4.787 1.00 3.94 H new ATOM 0 HA PHE A 12 53.713 -4.981 5.157 1.00 5.41 H new ATOM 0 HB2 PHE A 12 54.471 -7.342 6.811 1.00 4.97 H new ATOM 0 HB3 PHE A 12 54.847 -5.793 7.539 1.00 4.97 H new ATOM 0 HD1 PHE A 12 52.854 -3.942 7.041 1.00 13.16 H new ATOM 0 HD2 PHE A 12 52.360 -8.200 7.316 1.00 11.29 H new ATOM 0 HE1 PHE A 12 50.460 -3.628 7.609 1.00 14.89 H new ATOM 0 HE2 PHE A 12 49.966 -7.887 7.884 1.00 13.52 H new ATOM 0 HZ PHE A 12 49.017 -5.600 8.034 1.00 12.41 H new ATOM 162 N LYS A 13 56.917 -5.755 5.482 1.00 4.24 N ATOM 163 CA LYS A 13 58.258 -5.182 5.495 1.00 5.23 C ATOM 164 C LYS A 13 58.403 -4.135 4.395 1.00 4.55 C ATOM 165 O LYS A 13 59.139 -3.160 4.546 1.00 2.18 O ATOM 166 CB LYS A 13 59.299 -6.285 5.293 1.00 7.96 C ATOM 167 CG LYS A 13 60.555 -5.955 6.102 1.00 10.74 C ATOM 168 CD LYS A 13 61.648 -6.979 5.788 1.00 12.48 C ATOM 169 CE LYS A 13 62.558 -7.143 7.007 1.00 16.63 C ATOM 170 NZ LYS A 13 63.976 -7.245 6.558 1.00 18.39 N ATOM 0 H LYS A 13 56.889 -6.774 5.528 1.00 4.24 H new ATOM 0 HA LYS A 13 58.419 -4.703 6.461 1.00 5.23 H new ATOM 0 HB2 LYS A 13 58.892 -7.246 5.608 1.00 7.96 H new ATOM 0 HB3 LYS A 13 59.548 -6.376 4.236 1.00 7.96 H new ATOM 0 HG2 LYS A 13 60.903 -4.951 5.860 1.00 10.74 H new ATOM 0 HG3 LYS A 13 60.327 -5.966 7.168 1.00 10.74 H new ATOM 0 HD2 LYS A 13 61.199 -7.937 5.524 1.00 12.48 H new ATOM 0 HD3 LYS A 13 62.231 -6.652 4.927 1.00 12.48 H new ATOM 0 HE2 LYS A 13 62.439 -6.294 7.680 1.00 16.63 H new ATOM 0 HE3 LYS A 13 62.277 -8.035 7.566 1.00 16.63 H new ATOM 0 HZ1 LYS A 13 64.595 -7.357 7.386 1.00 18.39 H new ATOM 0 HZ2 LYS A 13 64.084 -8.068 5.932 1.00 18.39 H new ATOM 0 HZ3 LYS A 13 64.240 -6.381 6.042 1.00 18.39 H new ATOM 184 N GLU A 14 57.695 -4.343 3.289 1.00 5.40 N ATOM 185 CA GLU A 14 57.753 -3.410 2.170 1.00 5.67 C ATOM 186 C GLU A 14 57.266 -2.029 2.599 1.00 6.21 C ATOM 187 O GLU A 14 57.981 -1.037 2.457 1.00 5.40 O ATOM 188 CB GLU A 14 56.887 -3.923 1.017 1.00 7.02 C ATOM 189 CG GLU A 14 57.434 -3.389 -0.308 1.00 9.36 C ATOM 190 CD GLU A 14 56.670 -4.007 -1.474 1.00 16.81 C ATOM 191 OE1 GLU A 14 56.023 -3.264 -2.193 1.00 18.47 O ATOM 192 OE2 GLU A 14 56.743 -5.215 -1.631 1.00 22.76 O ATOM 0 H GLU A 14 57.079 -5.143 3.144 1.00 5.40 H new ATOM 0 HA GLU A 14 58.789 -3.332 1.839 1.00 5.67 H new ATOM 0 HB2 GLU A 14 56.883 -5.013 1.008 1.00 7.02 H new ATOM 0 HB3 GLU A 14 55.854 -3.601 1.153 1.00 7.02 H new ATOM 0 HG2 GLU A 14 57.343 -2.303 -0.337 1.00 9.36 H new ATOM 0 HG3 GLU A 14 58.495 -3.622 -0.393 1.00 9.36 H new ATOM 199 N ALA A 15 56.047 -1.974 3.125 1.00 5.16 N ATOM 200 CA ALA A 15 55.475 -0.709 3.571 1.00 5.07 C ATOM 201 C ALA A 15 56.495 0.081 4.386 1.00 5.10 C ATOM 202 O ALA A 15 56.541 1.309 4.318 1.00 5.67 O ATOM 203 CB ALA A 15 54.231 -0.970 4.422 1.00 5.43 C ATOM 0 H ALA A 15 55.440 -2.784 3.252 1.00 5.16 H new ATOM 0 HA ALA A 15 55.198 -0.126 2.693 1.00 5.07 H new ATOM 0 HB1 ALA A 15 53.810 -0.020 4.751 1.00 5.43 H new ATOM 0 HB2 ALA A 15 53.492 -1.509 3.830 1.00 5.43 H new ATOM 0 HB3 ALA A 15 54.504 -1.567 5.292 1.00 5.43 H new ATOM 209 N PHE A 16 57.311 -0.633 5.154 1.00 4.72 N ATOM 210 CA PHE A 16 58.327 0.012 5.978 1.00 6.21 C ATOM 211 C PHE A 16 59.291 0.813 5.108 1.00 7.11 C ATOM 212 O PHE A 16 59.420 2.027 5.263 1.00 4.60 O ATOM 213 CB PHE A 16 59.105 -1.041 6.768 1.00 6.80 C ATOM 214 CG PHE A 16 59.697 -0.408 8.004 1.00 5.05 C ATOM 215 CD1 PHE A 16 58.965 -0.382 9.197 1.00 6.58 C ATOM 216 CD2 PHE A 16 60.979 0.153 7.958 1.00 10.31 C ATOM 217 CE1 PHE A 16 59.514 0.205 10.343 1.00 4.50 C ATOM 218 CE2 PHE A 16 61.529 0.740 9.104 1.00 10.06 C ATOM 219 CZ PHE A 16 60.796 0.766 10.296 1.00 13.28 C ATOM 0 H PHE A 16 57.290 -1.650 5.223 1.00 4.72 H new ATOM 0 HA PHE A 16 57.830 0.691 6.671 1.00 6.21 H new ATOM 0 HB2 PHE A 16 58.445 -1.862 7.048 1.00 6.80 H new ATOM 0 HB3 PHE A 16 59.896 -1.464 6.149 1.00 6.80 H new ATOM 0 HD1 PHE A 16 57.976 -0.815 9.233 1.00 6.58 H new ATOM 0 HD2 PHE A 16 61.544 0.133 7.038 1.00 10.31 H new ATOM 0 HE1 PHE A 16 58.949 0.225 11.263 1.00 4.50 H new ATOM 0 HE2 PHE A 16 62.518 1.172 9.068 1.00 10.06 H new ATOM 0 HZ PHE A 16 61.220 1.219 11.180 1.00 13.28 H new ATOM 229 N SER A 17 59.966 0.124 4.193 1.00 6.98 N ATOM 230 CA SER A 17 60.916 0.783 3.303 1.00 7.97 C ATOM 231 C SER A 17 60.288 2.022 2.673 1.00 7.13 C ATOM 232 O SER A 17 60.992 2.925 2.222 1.00 8.83 O ATOM 233 CB SER A 17 61.356 -0.183 2.203 1.00 10.21 C ATOM 234 OG SER A 17 62.683 0.133 1.804 1.00 12.16 O ATOM 0 H SER A 17 59.874 -0.882 4.049 1.00 6.98 H new ATOM 0 HA SER A 17 61.784 1.087 3.888 1.00 7.97 H new ATOM 0 HB2 SER A 17 61.307 -1.210 2.564 1.00 10.21 H new ATOM 0 HB3 SER A 17 60.681 -0.113 1.350 1.00 10.21 H new ATOM 0 HG SER A 17 62.969 -0.486 1.100 1.00 12.16 H new ATOM 240 N LEU A 18 58.960 2.057 2.648 1.00 7.48 N ATOM 241 CA LEU A 18 58.246 3.191 2.071 1.00 9.00 C ATOM 242 C LEU A 18 58.225 4.362 3.048 1.00 7.93 C ATOM 243 O LEU A 18 58.330 5.521 2.645 1.00 6.26 O ATOM 244 CB LEU A 18 56.812 2.786 1.725 1.00 10.08 C ATOM 245 CG LEU A 18 56.447 3.331 0.344 1.00 14.78 C ATOM 246 CD1 LEU A 18 55.014 2.926 -0.004 1.00 17.89 C ATOM 247 CD2 LEU A 18 56.556 4.858 0.355 1.00 15.78 C ATOM 0 H LEU A 18 58.360 1.320 3.017 1.00 7.48 H new ATOM 0 HA LEU A 18 58.764 3.499 1.163 1.00 9.00 H new ATOM 0 HB2 LEU A 18 56.717 1.700 1.736 1.00 10.08 H new ATOM 0 HB3 LEU A 18 56.122 3.174 2.475 1.00 10.08 H new ATOM 0 HG LEU A 18 57.130 2.921 -0.400 1.00 14.78 H new ATOM 0 HD11 LEU A 18 54.755 3.315 -0.989 1.00 17.89 H new ATOM 0 HD12 LEU A 18 54.935 1.839 -0.011 1.00 17.89 H new ATOM 0 HD13 LEU A 18 54.330 3.335 0.739 1.00 17.89 H new ATOM 0 HD21 LEU A 18 56.296 5.248 -0.629 1.00 15.78 H new ATOM 0 HD22 LEU A 18 55.872 5.266 1.100 1.00 15.78 H new ATOM 0 HD23 LEU A 18 57.577 5.148 0.602 1.00 15.78 H new ATOM 259 N PHE A 19 58.089 4.053 4.333 1.00 6.61 N ATOM 260 CA PHE A 19 58.056 5.089 5.358 1.00 3.44 C ATOM 261 C PHE A 19 59.464 5.386 5.865 1.00 5.51 C ATOM 262 O PHE A 19 59.881 6.543 5.925 1.00 6.11 O ATOM 263 CB PHE A 19 57.175 4.641 6.526 1.00 4.01 C ATOM 264 CG PHE A 19 55.757 5.106 6.295 1.00 2.30 C ATOM 265 CD1 PHE A 19 55.387 6.415 6.625 1.00 6.71 C ATOM 266 CD2 PHE A 19 54.813 4.228 5.749 1.00 9.14 C ATOM 267 CE1 PHE A 19 54.072 6.846 6.411 1.00 6.83 C ATOM 268 CE2 PHE A 19 53.498 4.659 5.534 1.00 7.38 C ATOM 269 CZ PHE A 19 53.128 5.968 5.865 1.00 6.43 C ATOM 0 H PHE A 19 58.000 3.101 4.688 1.00 6.61 H new ATOM 0 HA PHE A 19 57.641 5.996 4.918 1.00 3.44 H new ATOM 0 HB2 PHE A 19 57.202 3.555 6.620 1.00 4.01 H new ATOM 0 HB3 PHE A 19 57.556 5.052 7.461 1.00 4.01 H new ATOM 0 HD1 PHE A 19 56.116 7.093 7.045 1.00 6.71 H new ATOM 0 HD2 PHE A 19 55.099 3.218 5.494 1.00 9.14 H new ATOM 0 HE1 PHE A 19 53.786 7.855 6.667 1.00 6.83 H new ATOM 0 HE2 PHE A 19 52.770 3.982 5.113 1.00 7.38 H new ATOM 0 HZ PHE A 19 52.114 6.301 5.699 1.00 6.43 H new ATOM 279 N ASP A 20 60.191 4.335 6.228 1.00 4.53 N ATOM 280 CA ASP A 20 61.552 4.496 6.728 1.00 5.06 C ATOM 281 C ASP A 20 62.543 4.557 5.570 1.00 5.41 C ATOM 282 O ASP A 20 63.154 3.551 5.210 1.00 7.47 O ATOM 283 CB ASP A 20 61.911 3.329 7.649 1.00 3.50 C ATOM 284 CG ASP A 20 63.105 3.702 8.521 1.00 5.29 C ATOM 285 OD1 ASP A 20 64.143 3.080 8.368 1.00 4.70 O ATOM 286 OD2 ASP A 20 62.964 4.604 9.330 1.00 4.96 O ATOM 0 H ASP A 20 59.864 3.370 6.186 1.00 4.53 H new ATOM 0 HA ASP A 20 61.606 5.430 7.288 1.00 5.06 H new ATOM 0 HB2 ASP A 20 61.057 3.074 8.277 1.00 3.50 H new ATOM 0 HB3 ASP A 20 62.145 2.445 7.056 1.00 3.50 H new ATOM 291 N LYS A 21 62.695 5.743 4.990 1.00 8.35 N ATOM 292 CA LYS A 21 63.614 5.924 3.873 1.00 9.30 C ATOM 293 C LYS A 21 65.059 5.939 4.361 1.00 10.49 C ATOM 294 O LYS A 21 65.989 5.721 3.585 1.00 12.20 O ATOM 295 CB LYS A 21 63.305 7.237 3.151 1.00 10.83 C ATOM 296 CG LYS A 21 64.035 8.387 3.847 1.00 18.65 C ATOM 297 CD LYS A 21 63.364 9.713 3.485 1.00 23.74 C ATOM 298 CE LYS A 21 63.782 10.788 4.490 1.00 21.90 C ATOM 299 NZ LYS A 21 63.449 12.134 3.944 1.00 27.75 N ATOM 0 H LYS A 21 62.197 6.587 5.273 1.00 8.35 H new ATOM 0 HA LYS A 21 63.485 5.089 3.184 1.00 9.30 H new ATOM 0 HB2 LYS A 21 63.616 7.173 2.108 1.00 10.83 H new ATOM 0 HB3 LYS A 21 62.231 7.421 3.152 1.00 10.83 H new ATOM 0 HG2 LYS A 21 64.018 8.242 4.927 1.00 18.65 H new ATOM 0 HG3 LYS A 21 65.082 8.403 3.544 1.00 18.65 H new ATOM 0 HD2 LYS A 21 63.648 10.013 2.476 1.00 23.74 H new ATOM 0 HD3 LYS A 21 62.280 9.597 3.490 1.00 23.74 H new ATOM 0 HE2 LYS A 21 63.270 10.632 5.440 1.00 21.90 H new ATOM 0 HE3 LYS A 21 64.851 10.719 4.689 1.00 21.90 H new ATOM 0 HZ1 LYS A 21 63.733 12.865 4.627 1.00 27.75 H new ATOM 0 HZ2 LYS A 21 63.957 12.281 3.048 1.00 27.75 H new ATOM 0 HZ3 LYS A 21 62.425 12.197 3.776 1.00 27.75 H new ATOM 313 N ASP A 22 65.240 6.198 5.652 1.00 10.35 N ATOM 314 CA ASP A 22 66.577 6.240 6.232 1.00 9.98 C ATOM 315 C ASP A 22 67.155 4.833 6.352 1.00 10.21 C ATOM 316 O ASP A 22 68.357 4.660 6.550 1.00 10.63 O ATOM 317 CB ASP A 22 66.528 6.893 7.614 1.00 11.16 C ATOM 318 CG ASP A 22 66.054 8.337 7.491 1.00 11.39 C ATOM 319 OD1 ASP A 22 66.016 9.016 8.504 1.00 8.03 O ATOM 320 OD2 ASP A 22 65.737 8.744 6.385 1.00 14.13 O ATOM 0 H ASP A 22 64.484 6.381 6.312 1.00 10.35 H new ATOM 0 HA ASP A 22 67.218 6.829 5.575 1.00 9.98 H new ATOM 0 HB2 ASP A 22 65.856 6.335 8.266 1.00 11.16 H new ATOM 0 HB3 ASP A 22 67.515 6.864 8.075 1.00 11.16 H new ATOM 325 N GLY A 23 66.290 3.831 6.232 1.00 8.93 N ATOM 326 CA GLY A 23 66.727 2.443 6.331 1.00 9.95 C ATOM 327 C GLY A 23 67.372 2.169 7.685 1.00 11.51 C ATOM 328 O GLY A 23 68.231 1.296 7.809 1.00 10.61 O ATOM 0 H GLY A 23 65.291 3.952 6.067 1.00 8.93 H new ATOM 0 HA2 GLY A 23 65.875 1.779 6.189 1.00 9.95 H new ATOM 0 HA3 GLY A 23 67.438 2.224 5.534 1.00 9.95 H new ATOM 332 N ASP A 24 66.954 2.922 8.697 1.00 11.42 N ATOM 333 CA ASP A 24 67.499 2.752 10.039 1.00 12.12 C ATOM 334 C ASP A 24 66.829 1.578 10.746 1.00 11.09 C ATOM 335 O ASP A 24 67.436 0.924 11.595 1.00 11.16 O ATOM 336 CB ASP A 24 67.287 4.029 10.854 1.00 12.48 C ATOM 337 CG ASP A 24 67.646 5.250 10.014 1.00 11.83 C ATOM 338 OD1 ASP A 24 67.195 6.332 10.353 1.00 10.91 O ATOM 339 OD2 ASP A 24 68.367 5.085 9.043 1.00 14.28 O ATOM 0 H ASP A 24 66.245 3.651 8.615 1.00 11.42 H new ATOM 0 HA ASP A 24 68.566 2.548 9.954 1.00 12.12 H new ATOM 0 HB2 ASP A 24 66.249 4.094 11.180 1.00 12.48 H new ATOM 0 HB3 ASP A 24 67.902 4.003 11.753 1.00 12.48 H new ATOM 344 N GLY A 25 65.575 1.317 10.392 1.00 9.38 N ATOM 345 CA GLY A 25 64.833 0.219 11.000 1.00 9.47 C ATOM 346 C GLY A 25 63.806 0.744 11.998 1.00 7.97 C ATOM 347 O GLY A 25 63.180 -0.029 12.723 1.00 6.95 O ATOM 0 H GLY A 25 65.055 1.846 9.693 1.00 9.38 H new ATOM 0 HA2 GLY A 25 64.330 -0.359 10.225 1.00 9.47 H new ATOM 0 HA3 GLY A 25 65.524 -0.457 11.504 1.00 9.47 H new ATOM 351 N THR A 26 63.640 2.062 12.029 1.00 7.17 N ATOM 352 CA THR A 26 62.685 2.680 12.942 1.00 8.21 C ATOM 353 C THR A 26 62.097 3.945 12.326 1.00 8.10 C ATOM 354 O THR A 26 62.796 4.702 11.652 1.00 7.63 O ATOM 355 CB THR A 26 63.376 3.026 14.263 1.00 11.49 C ATOM 356 OG1 THR A 26 64.471 3.894 14.009 1.00 16.41 O ATOM 357 CG2 THR A 26 63.881 1.745 14.929 1.00 11.35 C ATOM 0 H THR A 26 64.150 2.718 11.438 1.00 7.17 H new ATOM 0 HA THR A 26 61.878 1.972 13.129 1.00 8.21 H new ATOM 0 HB THR A 26 62.666 3.520 14.926 1.00 11.49 H new ATOM 0 HG1 THR A 26 64.914 4.118 14.854 1.00 16.41 H new ATOM 0 HG21 THR A 26 64.373 1.993 15.870 1.00 11.35 H new ATOM 0 HG22 THR A 26 63.039 1.080 15.124 1.00 11.35 H new ATOM 0 HG23 THR A 26 64.591 1.247 14.269 1.00 11.35 H new ATOM 365 N ILE A 27 60.809 4.169 12.563 1.00 6.76 N ATOM 366 CA ILE A 27 60.137 5.347 12.027 1.00 3.01 C ATOM 367 C ILE A 27 59.951 6.400 13.114 1.00 4.61 C ATOM 368 O ILE A 27 59.353 6.131 14.156 1.00 4.59 O ATOM 369 CB ILE A 27 58.773 4.955 11.455 1.00 4.15 C ATOM 370 CG1 ILE A 27 58.973 4.028 10.253 1.00 8.03 C ATOM 371 CG2 ILE A 27 58.025 6.212 11.009 1.00 6.87 C ATOM 372 CD1 ILE A 27 57.722 3.171 10.055 1.00 5.23 C ATOM 0 H ILE A 27 60.213 3.555 13.119 1.00 6.76 H new ATOM 0 HA ILE A 27 60.757 5.766 11.234 1.00 3.01 H new ATOM 0 HB ILE A 27 58.193 4.440 12.221 1.00 4.15 H new ATOM 0 HG12 ILE A 27 59.170 4.615 9.356 1.00 8.03 H new ATOM 0 HG13 ILE A 27 59.842 3.390 10.413 1.00 8.03 H new ATOM 0 HG21 ILE A 27 57.054 5.932 10.602 1.00 6.87 H new ATOM 0 HG22 ILE A 27 57.883 6.873 11.864 1.00 6.87 H new ATOM 0 HG23 ILE A 27 58.604 6.728 10.243 1.00 6.87 H new ATOM 0 HD11 ILE A 27 57.865 2.511 9.199 1.00 5.23 H new ATOM 0 HD12 ILE A 27 57.546 2.573 10.949 1.00 5.23 H new ATOM 0 HD13 ILE A 27 56.863 3.817 9.876 1.00 5.23 H new ATOM 384 N THR A 28 60.468 7.598 12.865 1.00 5.54 N ATOM 385 CA THR A 28 60.353 8.685 13.831 1.00 5.59 C ATOM 386 C THR A 28 59.324 9.710 13.365 1.00 4.18 C ATOM 387 O THR A 28 58.867 9.670 12.223 1.00 3.04 O ATOM 388 CB THR A 28 61.710 9.367 14.013 1.00 7.09 C ATOM 389 OG1 THR A 28 61.523 10.630 14.637 1.00 7.62 O ATOM 390 CG2 THR A 28 62.373 9.563 12.649 1.00 7.80 C ATOM 0 H THR A 28 60.967 7.840 12.009 1.00 5.54 H new ATOM 0 HA THR A 28 60.026 8.267 14.783 1.00 5.59 H new ATOM 0 HB THR A 28 62.349 8.743 14.638 1.00 7.09 H new ATOM 0 HG1 THR A 28 62.392 11.068 14.756 1.00 7.62 H new ATOM 0 HG21 THR A 28 63.340 10.049 12.781 1.00 7.80 H new ATOM 0 HG22 THR A 28 62.516 8.594 12.171 1.00 7.80 H new ATOM 0 HG23 THR A 28 61.736 10.186 12.021 1.00 7.80 H new ATOM 398 N THR A 29 58.965 10.627 14.257 1.00 6.48 N ATOM 399 CA THR A 29 57.989 11.659 13.926 1.00 6.08 C ATOM 400 C THR A 29 58.583 12.663 12.942 1.00 6.97 C ATOM 401 O THR A 29 57.857 13.430 12.310 1.00 10.04 O ATOM 402 CB THR A 29 57.548 12.388 15.197 1.00 8.08 C ATOM 403 OG1 THR A 29 57.298 11.437 16.223 1.00 8.72 O ATOM 404 CG2 THR A 29 56.274 13.185 14.915 1.00 6.60 C ATOM 0 H THR A 29 59.332 10.677 15.207 1.00 6.48 H new ATOM 0 HA THR A 29 57.126 11.181 13.463 1.00 6.08 H new ATOM 0 HB THR A 29 58.336 13.070 15.517 1.00 8.08 H new ATOM 0 HG1 THR A 29 57.017 11.902 17.039 1.00 8.72 H new ATOM 0 HG21 THR A 29 55.961 13.704 15.821 1.00 6.60 H new ATOM 0 HG22 THR A 29 56.468 13.914 14.128 1.00 6.60 H new ATOM 0 HG23 THR A 29 55.484 12.506 14.594 1.00 6.60 H new ATOM 412 N LYS A 30 59.906 12.650 12.818 1.00 6.44 N ATOM 413 CA LYS A 30 60.587 13.564 11.908 1.00 5.32 C ATOM 414 C LYS A 30 60.526 13.040 10.477 1.00 5.11 C ATOM 415 O LYS A 30 60.441 13.815 9.525 1.00 2.00 O ATOM 416 CB LYS A 30 62.047 13.731 12.332 1.00 6.94 C ATOM 417 CG LYS A 30 62.119 14.609 13.583 1.00 11.76 C ATOM 418 CD LYS A 30 62.284 16.073 13.170 1.00 16.32 C ATOM 419 CE LYS A 30 62.388 16.948 14.420 1.00 16.38 C ATOM 420 NZ LYS A 30 61.944 18.333 14.096 1.00 12.63 N ATOM 0 H LYS A 30 60.524 12.022 13.332 1.00 6.44 H new ATOM 0 HA LYS A 30 60.085 14.530 11.950 1.00 5.32 H new ATOM 0 HB2 LYS A 30 62.492 12.756 12.533 1.00 6.94 H new ATOM 0 HB3 LYS A 30 62.622 14.183 11.524 1.00 6.94 H new ATOM 0 HG2 LYS A 30 61.214 14.488 14.178 1.00 11.76 H new ATOM 0 HG3 LYS A 30 62.956 14.300 14.209 1.00 11.76 H new ATOM 0 HD2 LYS A 30 63.177 16.190 12.556 1.00 16.32 H new ATOM 0 HD3 LYS A 30 61.436 16.388 12.562 1.00 16.32 H new ATOM 0 HE2 LYS A 30 61.772 16.535 15.218 1.00 16.38 H new ATOM 0 HE3 LYS A 30 63.415 16.960 14.784 1.00 16.38 H new ATOM 0 HZ1 LYS A 30 62.015 18.928 14.946 1.00 12.63 H new ATOM 0 HZ2 LYS A 30 62.550 18.726 13.347 1.00 12.63 H new ATOM 0 HZ3 LYS A 30 60.957 18.313 13.768 1.00 12.63 H new ATOM 434 N GLU A 31 60.572 11.719 10.333 1.00 2.00 N ATOM 435 CA GLU A 31 60.521 11.103 9.013 1.00 2.98 C ATOM 436 C GLU A 31 59.075 10.927 8.560 1.00 4.00 C ATOM 437 O GLU A 31 58.784 10.927 7.364 1.00 4.67 O ATOM 438 CB GLU A 31 61.217 9.741 9.044 1.00 2.67 C ATOM 439 CG GLU A 31 61.366 9.210 7.617 1.00 3.70 C ATOM 440 CD GLU A 31 62.719 8.527 7.453 1.00 3.21 C ATOM 441 OE1 GLU A 31 63.697 9.231 7.261 1.00 5.59 O ATOM 442 OE2 GLU A 31 62.758 7.309 7.522 1.00 4.09 O ATOM 0 H GLU A 31 60.644 11.060 11.108 1.00 2.00 H new ATOM 0 HA GLU A 31 61.034 11.757 8.308 1.00 2.98 H new ATOM 0 HB2 GLU A 31 62.197 9.832 9.513 1.00 2.67 H new ATOM 0 HB3 GLU A 31 60.639 9.039 9.646 1.00 2.67 H new ATOM 0 HG2 GLU A 31 60.564 8.505 7.397 1.00 3.70 H new ATOM 0 HG3 GLU A 31 61.274 10.029 6.904 1.00 3.70 H new ATOM 449 N LEU A 32 58.174 10.777 9.525 1.00 5.61 N ATOM 450 CA LEU A 32 56.760 10.601 9.216 1.00 5.49 C ATOM 451 C LEU A 32 56.202 11.846 8.535 1.00 6.12 C ATOM 452 O LEU A 32 55.716 11.783 7.406 1.00 5.57 O ATOM 453 CB LEU A 32 55.976 10.323 10.499 1.00 5.85 C ATOM 454 CG LEU A 32 54.584 9.799 10.144 1.00 7.72 C ATOM 455 CD1 LEU A 32 54.645 8.285 9.935 1.00 6.45 C ATOM 456 CD2 LEU A 32 53.615 10.116 11.286 1.00 7.63 C ATOM 0 H LEU A 32 58.395 10.774 10.521 1.00 5.61 H new ATOM 0 HA LEU A 32 56.658 9.754 8.538 1.00 5.49 H new ATOM 0 HB2 LEU A 32 56.506 9.593 11.110 1.00 5.85 H new ATOM 0 HB3 LEU A 32 55.893 11.234 11.091 1.00 5.85 H new ATOM 0 HG LEU A 32 54.239 10.278 9.228 1.00 7.72 H new ATOM 0 HD11 LEU A 32 53.652 7.912 9.682 1.00 6.45 H new ATOM 0 HD12 LEU A 32 55.336 8.057 9.123 1.00 6.45 H new ATOM 0 HD13 LEU A 32 54.990 7.805 10.851 1.00 6.45 H new ATOM 0 HD21 LEU A 32 52.622 9.743 11.035 1.00 7.63 H new ATOM 0 HD22 LEU A 32 53.962 9.636 12.201 1.00 7.63 H new ATOM 0 HD23 LEU A 32 53.570 11.195 11.436 1.00 7.63 H new ATOM 468 N GLY A 33 56.276 12.978 9.228 1.00 6.93 N ATOM 469 CA GLY A 33 55.775 14.232 8.679 1.00 4.91 C ATOM 470 C GLY A 33 56.323 14.468 7.276 1.00 6.07 C ATOM 471 O GLY A 33 55.580 14.819 6.359 1.00 6.12 O ATOM 0 H GLY A 33 56.675 13.053 10.164 1.00 6.93 H new ATOM 0 HA2 GLY A 33 54.686 14.212 8.650 1.00 4.91 H new ATOM 0 HA3 GLY A 33 56.061 15.059 9.329 1.00 4.91 H new ATOM 475 N THR A 34 57.628 14.271 7.115 1.00 6.25 N ATOM 476 CA THR A 34 58.265 14.464 5.818 1.00 6.89 C ATOM 477 C THR A 34 57.529 13.678 4.738 1.00 5.87 C ATOM 478 O THR A 34 57.335 14.166 3.625 1.00 4.67 O ATOM 479 CB THR A 34 59.725 14.009 5.879 1.00 7.13 C ATOM 480 OG1 THR A 34 60.286 14.390 7.128 1.00 8.73 O ATOM 481 CG2 THR A 34 60.513 14.661 4.743 1.00 9.63 C ATOM 0 H THR A 34 58.260 13.980 7.861 1.00 6.25 H new ATOM 0 HA THR A 34 58.226 15.525 5.570 1.00 6.89 H new ATOM 0 HB THR A 34 59.773 12.925 5.774 1.00 7.13 H new ATOM 0 HG1 THR A 34 60.121 13.685 7.789 1.00 8.73 H new ATOM 0 HG21 THR A 34 61.552 14.336 4.788 1.00 9.63 H new ATOM 0 HG22 THR A 34 60.082 14.367 3.786 1.00 9.63 H new ATOM 0 HG23 THR A 34 60.467 15.745 4.844 1.00 9.63 H new ATOM 489 N VAL A 35 57.122 12.458 5.074 1.00 4.87 N ATOM 490 CA VAL A 35 56.408 11.613 4.125 1.00 5.50 C ATOM 491 C VAL A 35 55.071 12.244 3.748 1.00 6.36 C ATOM 492 O VAL A 35 54.732 12.345 2.569 1.00 6.78 O ATOM 493 CB VAL A 35 56.169 10.231 4.733 1.00 7.07 C ATOM 494 CG1 VAL A 35 55.178 9.454 3.864 1.00 6.42 C ATOM 495 CG2 VAL A 35 57.494 9.468 4.799 1.00 4.61 C ATOM 0 H VAL A 35 57.273 12.035 5.990 1.00 4.87 H new ATOM 0 HA VAL A 35 57.016 11.513 3.226 1.00 5.50 H new ATOM 0 HB VAL A 35 55.761 10.342 5.738 1.00 7.07 H new ATOM 0 HG11 VAL A 35 55.008 8.469 4.298 1.00 6.42 H new ATOM 0 HG12 VAL A 35 54.234 9.997 3.815 1.00 6.42 H new ATOM 0 HG13 VAL A 35 55.585 9.342 2.859 1.00 6.42 H new ATOM 0 HG21 VAL A 35 57.325 8.482 5.232 1.00 4.61 H new ATOM 0 HG22 VAL A 35 57.901 9.358 3.794 1.00 4.61 H new ATOM 0 HG23 VAL A 35 58.201 10.020 5.418 1.00 4.61 H new ATOM 505 N MET A 36 54.317 12.667 4.757 0.50 5.82 N ATOM 506 CA MET A 36 53.019 13.287 4.519 0.50 6.35 C ATOM 507 C MET A 36 53.185 14.599 3.760 0.50 5.77 C ATOM 508 O MET A 36 52.289 15.023 3.030 0.50 6.52 O ATOM 509 CB MET A 36 52.314 13.551 5.851 0.50 6.47 C ATOM 510 CG MET A 36 52.185 12.240 6.629 0.50 7.91 C ATOM 511 SD MET A 36 50.576 12.184 7.455 0.50 9.11 S ATOM 512 CE MET A 36 50.613 10.431 7.904 0.50 10.12 C ATOM 0 H MET A 36 54.580 12.593 5.740 0.50 5.82 H new ATOM 0 HA MET A 36 52.416 12.606 3.918 0.50 6.35 H new ATOM 0 HB2 MET A 36 52.878 14.279 6.435 0.50 6.47 H new ATOM 0 HB3 MET A 36 51.328 13.980 5.674 0.50 6.47 H new ATOM 0 HG2 MET A 36 52.288 11.392 5.952 0.50 7.91 H new ATOM 0 HG3 MET A 36 52.986 12.161 7.364 0.50 7.91 H new ATOM 0 HE1 MET A 36 49.697 10.172 8.435 0.50 10.12 H new ATOM 0 HE2 MET A 36 50.693 9.826 7.001 0.50 10.12 H new ATOM 0 HE3 MET A 36 51.472 10.238 8.547 0.50 10.12 H new ATOM 522 N ARG A 37 54.337 15.238 3.937 1.00 5.54 N ATOM 523 CA ARG A 37 54.610 16.501 3.262 1.00 5.23 C ATOM 524 C ARG A 37 54.627 16.306 1.749 1.00 5.57 C ATOM 525 O ARG A 37 54.339 17.232 0.991 1.00 5.64 O ATOM 526 CB ARG A 37 55.958 17.060 3.722 1.00 5.44 C ATOM 527 CG ARG A 37 55.760 17.889 4.993 1.00 9.87 C ATOM 528 CD ARG A 37 57.123 18.237 5.593 1.00 7.40 C ATOM 529 NE ARG A 37 58.156 18.183 4.565 1.00 5.71 N ATOM 530 CZ ARG A 37 59.232 18.960 4.630 1.00 5.49 C ATOM 531 NH1 ARG A 37 60.142 18.894 3.697 1.00 4.77 N ATOM 532 NH2 ARG A 37 59.378 19.790 5.626 1.00 5.93 N ATOM 0 H ARG A 37 55.091 14.905 4.538 1.00 5.54 H new ATOM 0 HA ARG A 37 53.819 17.206 3.518 1.00 5.23 H new ATOM 0 HB2 ARG A 37 56.656 16.245 3.912 1.00 5.44 H new ATOM 0 HB3 ARG A 37 56.395 17.677 2.937 1.00 5.44 H new ATOM 0 HG2 ARG A 37 55.209 18.801 4.763 1.00 9.87 H new ATOM 0 HG3 ARG A 37 55.165 17.330 5.715 1.00 9.87 H new ATOM 0 HD2 ARG A 37 57.090 19.233 6.034 1.00 7.40 H new ATOM 0 HD3 ARG A 37 57.363 17.541 6.397 1.00 7.40 H new ATOM 0 HE ARG A 37 58.051 17.537 3.782 1.00 5.71 H new ATOM 0 HH11 ARG A 37 60.027 18.246 2.918 1.00 4.77 H new ATOM 0 HH12 ARG A 37 60.968 19.491 3.747 1.00 4.77 H new ATOM 0 HH21 ARG A 37 58.666 19.842 6.355 1.00 5.93 H new ATOM 0 HH22 ARG A 37 60.204 20.386 5.676 1.00 5.93 H new ATOM 546 N SER A 38 54.966 15.096 1.318 1.00 5.82 N ATOM 547 CA SER A 38 55.017 14.790 -0.107 1.00 6.44 C ATOM 548 C SER A 38 53.616 14.512 -0.642 1.00 7.83 C ATOM 549 O SER A 38 53.379 14.571 -1.849 1.00 7.95 O ATOM 550 CB SER A 38 55.908 13.572 -0.349 1.00 5.05 C ATOM 551 OG SER A 38 56.447 13.638 -1.663 1.00 8.15 O ATOM 0 H SER A 38 55.208 14.316 1.930 1.00 5.82 H new ATOM 0 HA SER A 38 55.432 15.651 -0.631 1.00 6.44 H new ATOM 0 HB2 SER A 38 56.713 13.544 0.386 1.00 5.05 H new ATOM 0 HB3 SER A 38 55.332 12.655 -0.226 1.00 5.05 H new ATOM 0 HG SER A 38 57.020 12.859 -1.821 1.00 8.15 H new ATOM 557 N LEU A 39 52.692 14.210 0.264 1.00 7.89 N ATOM 558 CA LEU A 39 51.316 13.926 -0.127 1.00 8.71 C ATOM 559 C LEU A 39 50.470 15.194 -0.064 1.00 8.85 C ATOM 560 O LEU A 39 49.241 15.133 -0.084 1.00 8.85 O ATOM 561 CB LEU A 39 50.718 12.865 0.799 1.00 9.15 C ATOM 562 CG LEU A 39 51.067 11.472 0.272 1.00 8.10 C ATOM 563 CD1 LEU A 39 52.577 11.375 0.046 1.00 10.10 C ATOM 564 CD2 LEU A 39 50.638 10.418 1.295 1.00 12.78 C ATOM 0 H LEU A 39 52.869 14.156 1.267 1.00 7.89 H new ATOM 0 HA LEU A 39 51.318 13.554 -1.151 1.00 8.71 H new ATOM 0 HB2 LEU A 39 51.105 12.990 1.810 1.00 9.15 H new ATOM 0 HB3 LEU A 39 49.636 12.984 0.855 1.00 9.15 H new ATOM 0 HG LEU A 39 50.546 11.300 -0.670 1.00 8.10 H new ATOM 0 HD11 LEU A 39 52.826 10.382 -0.329 1.00 10.10 H new ATOM 0 HD12 LEU A 39 52.885 12.126 -0.682 1.00 10.10 H new ATOM 0 HD13 LEU A 39 53.098 11.548 0.988 1.00 10.10 H new ATOM 0 HD21 LEU A 39 50.886 9.425 0.920 1.00 12.78 H new ATOM 0 HD22 LEU A 39 51.159 10.591 2.236 1.00 12.78 H new ATOM 0 HD23 LEU A 39 49.562 10.486 1.458 1.00 12.78 H new ATOM 576 N GLY A 40 51.138 16.340 0.011 1.00 9.60 N ATOM 577 CA GLY A 40 50.438 17.618 0.076 1.00 8.71 C ATOM 578 C GLY A 40 49.666 17.750 1.384 1.00 8.84 C ATOM 579 O GLY A 40 48.646 18.437 1.448 1.00 8.80 O ATOM 0 H GLY A 40 52.155 16.411 0.028 1.00 9.60 H new ATOM 0 HA2 GLY A 40 51.155 18.435 -0.012 1.00 8.71 H new ATOM 0 HA3 GLY A 40 49.752 17.704 -0.766 1.00 8.71 H new ATOM 583 N GLN A 41 50.160 17.089 2.426 1.00 9.43 N ATOM 584 CA GLN A 41 49.507 17.139 3.729 1.00 9.39 C ATOM 585 C GLN A 41 50.279 18.048 4.680 1.00 9.13 C ATOM 586 O GLN A 41 51.497 18.189 4.568 1.00 9.37 O ATOM 587 CB GLN A 41 49.418 15.733 4.323 1.00 9.54 C ATOM 588 CG GLN A 41 48.096 15.085 3.907 1.00 14.07 C ATOM 589 CD GLN A 41 48.021 13.660 4.446 1.00 18.80 C ATOM 590 OE1 GLN A 41 48.727 12.775 3.963 1.00 20.35 O ATOM 591 NE2 GLN A 41 47.203 13.385 5.424 1.00 17.18 N ATOM 0 H GLN A 41 51.004 16.517 2.395 1.00 9.43 H new ATOM 0 HA GLN A 41 48.502 17.540 3.596 1.00 9.39 H new ATOM 0 HB2 GLN A 41 50.256 15.127 3.978 1.00 9.54 H new ATOM 0 HB3 GLN A 41 49.485 15.781 5.410 1.00 9.54 H new ATOM 0 HG2 GLN A 41 47.259 15.671 4.287 1.00 14.07 H new ATOM 0 HG3 GLN A 41 48.012 15.076 2.820 1.00 14.07 H new ATOM 0 HE21 GLN A 41 46.619 14.120 5.822 1.00 17.18 H new ATOM 0 HE22 GLN A 41 47.147 12.435 5.790 1.00 17.18 H new ATOM 600 N ASN A 42 49.562 18.662 5.616 0.50 9.56 N ATOM 601 CA ASN A 42 50.191 19.555 6.583 0.50 9.39 C ATOM 602 C ASN A 42 49.580 19.360 7.967 0.50 9.08 C ATOM 603 O ASN A 42 48.727 20.137 8.396 0.50 10.22 O ATOM 604 CB ASN A 42 50.009 21.009 6.144 0.50 9.34 C ATOM 605 CG ASN A 42 50.775 21.263 4.850 0.50 8.10 C ATOM 606 OD1 ASN A 42 51.936 20.695 4.668 0.50 6.34 O flip ATOM 607 ND2 ASN A 42 50.304 21.999 3.983 0.50 6.21 N flip ATOM 0 H ASN A 42 48.553 18.559 5.725 0.50 9.56 H new ATOM 0 HA ASN A 42 51.254 19.320 6.631 0.50 9.39 H new ATOM 0 HB2 ASN A 42 48.950 21.224 5.998 0.50 9.34 H new ATOM 0 HB3 ASN A 42 50.365 21.681 6.925 0.50 9.34 H new ATOM 0 HD21 ASN A 42 49.397 22.442 4.128 0.50 6.21 H new ATOM 0 HD22 ASN A 42 50.821 22.166 3.120 0.50 6.21 H new ATOM 614 N PRO A 43 50.002 18.340 8.666 1.00 8.50 N ATOM 615 CA PRO A 43 49.492 18.031 10.030 1.00 6.21 C ATOM 616 C PRO A 43 50.111 18.932 11.096 1.00 4.45 C ATOM 617 O PRO A 43 51.169 19.525 10.883 1.00 7.13 O ATOM 618 CB PRO A 43 49.900 16.573 10.240 1.00 6.33 C ATOM 619 CG PRO A 43 51.110 16.371 9.387 1.00 8.63 C ATOM 620 CD PRO A 43 51.015 17.368 8.227 1.00 8.24 C ATOM 0 HA PRO A 43 48.418 18.196 10.115 1.00 6.21 H new ATOM 0 HB2 PRO A 43 50.121 16.374 11.289 1.00 6.33 H new ATOM 0 HB3 PRO A 43 49.097 15.895 9.950 1.00 6.33 H new ATOM 0 HG2 PRO A 43 52.020 16.537 9.964 1.00 8.63 H new ATOM 0 HG3 PRO A 43 51.151 15.348 9.013 1.00 8.63 H new ATOM 0 HD2 PRO A 43 51.974 17.851 8.038 1.00 8.24 H new ATOM 0 HD3 PRO A 43 50.718 16.875 7.302 1.00 8.24 H new ATOM 628 N THR A 44 49.445 19.027 12.242 1.00 4.83 N ATOM 629 CA THR A 44 49.939 19.857 13.334 1.00 3.51 C ATOM 630 C THR A 44 50.765 19.023 14.308 1.00 2.59 C ATOM 631 O THR A 44 50.493 17.840 14.512 1.00 2.00 O ATOM 632 CB THR A 44 48.765 20.499 14.076 1.00 3.90 C ATOM 633 OG1 THR A 44 47.974 21.240 13.157 1.00 3.35 O ATOM 634 CG2 THR A 44 49.295 21.432 15.165 1.00 3.21 C ATOM 0 H THR A 44 48.568 18.544 12.438 1.00 4.83 H new ATOM 0 HA THR A 44 50.572 20.638 12.914 1.00 3.51 H new ATOM 0 HB THR A 44 48.156 19.720 14.535 1.00 3.90 H new ATOM 0 HG1 THR A 44 47.221 21.650 13.631 1.00 3.35 H new ATOM 0 HG21 THR A 44 48.457 21.888 15.692 1.00 3.21 H new ATOM 0 HG22 THR A 44 49.900 20.862 15.870 1.00 3.21 H new ATOM 0 HG23 THR A 44 49.906 22.212 14.710 1.00 3.21 H new ATOM 642 N GLU A 45 51.774 19.647 14.907 1.00 2.00 N ATOM 643 CA GLU A 45 52.633 18.951 15.858 1.00 3.60 C ATOM 644 C GLU A 45 51.795 18.144 16.845 1.00 4.17 C ATOM 645 O GLU A 45 52.288 17.205 17.469 1.00 5.52 O ATOM 646 CB GLU A 45 53.492 19.961 16.621 1.00 4.15 C ATOM 647 CG GLU A 45 54.666 20.399 15.743 1.00 7.46 C ATOM 648 CD GLU A 45 54.147 21.083 14.483 1.00 7.32 C ATOM 649 OE1 GLU A 45 53.385 22.027 14.616 1.00 16.78 O ATOM 650 OE2 GLU A 45 54.519 20.654 13.404 1.00 13.96 O ATOM 0 H GLU A 45 52.016 20.626 14.753 1.00 2.00 H new ATOM 0 HA GLU A 45 53.279 18.269 15.305 1.00 3.60 H new ATOM 0 HB2 GLU A 45 52.892 20.826 16.902 1.00 4.15 H new ATOM 0 HB3 GLU A 45 53.861 19.516 17.545 1.00 4.15 H new ATOM 0 HG2 GLU A 45 55.311 21.081 16.297 1.00 7.46 H new ATOM 0 HG3 GLU A 45 55.272 19.534 15.474 1.00 7.46 H new ATOM 657 N ALA A 46 50.527 18.517 16.979 1.00 4.80 N ATOM 658 CA ALA A 46 49.629 17.820 17.893 1.00 3.98 C ATOM 659 C ALA A 46 49.045 16.578 17.228 1.00 2.82 C ATOM 660 O ALA A 46 48.918 15.527 17.857 1.00 4.64 O ATOM 661 CB ALA A 46 48.495 18.752 18.323 1.00 3.36 C ATOM 0 H ALA A 46 50.100 19.292 16.471 1.00 4.80 H new ATOM 0 HA ALA A 46 50.200 17.514 18.770 1.00 3.98 H new ATOM 0 HB1 ALA A 46 47.829 18.224 19.005 1.00 3.36 H new ATOM 0 HB2 ALA A 46 48.912 19.625 18.826 1.00 3.36 H new ATOM 0 HB3 ALA A 46 47.935 19.073 17.445 1.00 3.36 H new ATOM 667 N GLU A 47 48.690 16.706 15.954 0.50 3.25 N ATOM 668 CA GLU A 47 48.120 15.587 15.213 0.50 4.03 C ATOM 669 C GLU A 47 49.173 14.510 14.973 0.50 2.00 C ATOM 670 O GLU A 47 49.025 13.372 15.417 0.50 2.21 O ATOM 671 CB GLU A 47 47.570 16.074 13.872 0.50 3.18 C ATOM 672 CG GLU A 47 46.124 16.542 14.052 0.50 2.62 C ATOM 673 CD GLU A 47 45.212 15.341 14.277 0.50 5.31 C ATOM 674 OE1 GLU A 47 44.625 15.260 15.344 0.50 6.18 O ATOM 675 OE2 GLU A 47 45.114 14.520 13.380 0.50 2.00 O ATOM 0 H GLU A 47 48.786 17.567 15.416 0.50 3.25 H new ATOM 0 HA GLU A 47 47.310 15.160 15.804 0.50 4.03 H new ATOM 0 HB2 GLU A 47 48.183 16.891 13.491 0.50 3.18 H new ATOM 0 HB3 GLU A 47 47.615 15.272 13.136 0.50 3.18 H new ATOM 0 HG2 GLU A 47 46.057 17.224 14.899 0.50 2.62 H new ATOM 0 HG3 GLU A 47 45.800 17.095 13.171 0.50 2.62 H new ATOM 682 N LEU A 48 50.237 14.878 14.266 1.00 2.12 N ATOM 683 CA LEU A 48 51.310 13.934 13.972 1.00 2.61 C ATOM 684 C LEU A 48 51.766 13.227 15.243 1.00 3.92 C ATOM 685 O LEU A 48 52.116 12.047 15.217 1.00 2.59 O ATOM 686 CB LEU A 48 52.494 14.670 13.342 1.00 5.42 C ATOM 687 CG LEU A 48 53.147 13.777 12.286 1.00 4.58 C ATOM 688 CD1 LEU A 48 52.185 13.586 11.112 1.00 6.65 C ATOM 689 CD2 LEU A 48 54.434 14.437 11.787 1.00 5.37 C ATOM 0 H LEU A 48 50.379 15.815 13.889 1.00 2.12 H new ATOM 0 HA LEU A 48 50.931 13.189 13.272 1.00 2.61 H new ATOM 0 HB2 LEU A 48 52.157 15.601 12.887 1.00 5.42 H new ATOM 0 HB3 LEU A 48 53.221 14.935 14.110 1.00 5.42 H new ATOM 0 HG LEU A 48 53.381 12.807 12.725 1.00 4.58 H new ATOM 0 HD11 LEU A 48 52.651 12.950 10.360 1.00 6.65 H new ATOM 0 HD12 LEU A 48 51.267 13.117 11.466 1.00 6.65 H new ATOM 0 HD13 LEU A 48 51.951 14.555 10.672 1.00 6.65 H new ATOM 0 HD21 LEU A 48 54.901 13.802 11.034 1.00 5.37 H new ATOM 0 HD22 LEU A 48 54.199 15.407 11.348 1.00 5.37 H new ATOM 0 HD23 LEU A 48 55.121 14.574 12.623 1.00 5.37 H new ATOM 701 N GLN A 49 51.759 13.955 16.355 1.00 4.04 N ATOM 702 CA GLN A 49 52.175 13.386 17.632 1.00 6.32 C ATOM 703 C GLN A 49 51.201 12.300 18.077 1.00 4.43 C ATOM 704 O GLN A 49 51.611 11.207 18.466 1.00 6.21 O ATOM 705 CB GLN A 49 52.240 14.484 18.696 1.00 5.48 C ATOM 706 CG GLN A 49 52.454 13.849 20.071 1.00 4.72 C ATOM 707 CD GLN A 49 53.063 14.870 21.027 1.00 3.92 C ATOM 708 OE1 GLN A 49 52.427 15.871 21.355 1.00 7.05 O ATOM 709 NE2 GLN A 49 54.265 14.674 21.496 1.00 2.12 N ATOM 0 H GLN A 49 51.472 14.933 16.398 1.00 4.04 H new ATOM 0 HA GLN A 49 53.163 12.943 17.507 1.00 6.32 H new ATOM 0 HB2 GLN A 49 53.053 15.175 18.472 1.00 5.48 H new ATOM 0 HB3 GLN A 49 51.318 15.065 18.691 1.00 5.48 H new ATOM 0 HG2 GLN A 49 51.504 13.489 20.467 1.00 4.72 H new ATOM 0 HG3 GLN A 49 53.111 12.984 19.983 1.00 4.72 H new ATOM 0 HE21 GLN A 49 54.790 13.843 21.222 1.00 2.12 H new ATOM 0 HE22 GLN A 49 54.679 15.351 22.136 1.00 2.12 H new ATOM 718 N ASP A 50 49.910 12.610 18.018 1.00 3.85 N ATOM 719 CA ASP A 50 48.886 11.652 18.418 1.00 5.51 C ATOM 720 C ASP A 50 48.987 10.378 17.584 1.00 4.73 C ATOM 721 O ASP A 50 48.584 9.302 18.026 1.00 3.05 O ATOM 722 CB ASP A 50 47.497 12.269 18.243 1.00 6.72 C ATOM 723 CG ASP A 50 47.454 13.648 18.893 1.00 3.36 C ATOM 724 OD1 ASP A 50 46.646 14.457 18.466 1.00 2.00 O ATOM 725 OD2 ASP A 50 48.229 13.874 19.807 1.00 3.77 O ATOM 0 H ASP A 50 49.550 13.510 17.700 1.00 3.85 H new ATOM 0 HA ASP A 50 49.042 11.399 19.467 1.00 5.51 H new ATOM 0 HB2 ASP A 50 47.257 12.350 17.183 1.00 6.72 H new ATOM 0 HB3 ASP A 50 46.743 11.622 18.692 1.00 6.72 H new ATOM 730 N MET A 51 49.529 10.508 16.378 1.00 4.95 N ATOM 731 CA MET A 51 49.678 9.360 15.491 1.00 5.39 C ATOM 732 C MET A 51 50.848 8.488 15.935 1.00 5.93 C ATOM 733 O MET A 51 50.677 7.306 16.231 1.00 8.69 O ATOM 734 CB MET A 51 49.909 9.835 14.055 1.00 6.81 C ATOM 735 CG MET A 51 49.344 8.802 13.078 1.00 6.35 C ATOM 736 SD MET A 51 47.560 9.052 12.900 1.00 10.13 S ATOM 737 CE MET A 51 47.187 7.465 12.115 1.00 13.60 C ATOM 0 H MET A 51 49.870 11.389 15.994 1.00 4.95 H new ATOM 0 HA MET A 51 48.763 8.770 15.535 1.00 5.39 H new ATOM 0 HB2 MET A 51 49.428 10.800 13.898 1.00 6.81 H new ATOM 0 HB3 MET A 51 50.975 9.977 13.875 1.00 6.81 H new ATOM 0 HG2 MET A 51 49.834 8.897 12.109 1.00 6.35 H new ATOM 0 HG3 MET A 51 49.546 7.794 13.440 1.00 6.35 H new ATOM 0 HE1 MET A 51 46.118 7.402 11.911 1.00 13.60 H new ATOM 0 HE2 MET A 51 47.740 7.383 11.179 1.00 13.60 H new ATOM 0 HE3 MET A 51 47.478 6.652 12.781 1.00 13.60 H new ATOM 747 N ILE A 52 52.037 9.080 15.978 1.00 7.65 N ATOM 748 CA ILE A 52 53.230 8.347 16.388 1.00 4.46 C ATOM 749 C ILE A 52 52.973 7.590 17.687 1.00 4.03 C ATOM 750 O ILE A 52 53.365 6.432 17.829 1.00 3.57 O ATOM 751 CB ILE A 52 54.397 9.316 16.581 1.00 6.21 C ATOM 752 CG1 ILE A 52 54.920 9.761 15.213 1.00 8.71 C ATOM 753 CG2 ILE A 52 55.519 8.618 17.352 1.00 7.56 C ATOM 754 CD1 ILE A 52 55.913 8.725 14.684 1.00 8.27 C ATOM 0 H ILE A 52 52.200 10.057 15.736 1.00 7.65 H new ATOM 0 HA ILE A 52 53.480 7.629 15.607 1.00 4.46 H new ATOM 0 HB ILE A 52 54.057 10.186 17.143 1.00 6.21 H new ATOM 0 HG12 ILE A 52 54.091 9.875 14.515 1.00 8.71 H new ATOM 0 HG13 ILE A 52 55.403 10.734 15.296 1.00 8.71 H new ATOM 0 HG21 ILE A 52 56.351 9.309 17.489 1.00 7.56 H new ATOM 0 HG22 ILE A 52 55.148 8.299 18.326 1.00 7.56 H new ATOM 0 HG23 ILE A 52 55.859 7.748 16.791 1.00 7.56 H new ATOM 0 HD11 ILE A 52 56.285 9.042 13.710 1.00 8.27 H new ATOM 0 HD12 ILE A 52 56.748 8.633 15.379 1.00 8.27 H new ATOM 0 HD13 ILE A 52 55.415 7.761 14.586 1.00 8.27 H new ATOM 766 N ASN A 53 52.314 8.252 18.632 1.00 2.63 N ATOM 767 CA ASN A 53 52.011 7.631 19.916 1.00 2.00 C ATOM 768 C ASN A 53 51.371 6.262 19.710 1.00 6.04 C ATOM 769 O ASN A 53 51.807 5.268 20.292 1.00 3.59 O ATOM 770 CB ASN A 53 51.064 8.524 20.718 1.00 9.04 C ATOM 771 CG ASN A 53 51.821 9.731 21.262 1.00 3.69 C ATOM 772 OD1 ASN A 53 51.376 10.868 21.102 1.00 2.06 O ATOM 773 ND2 ASN A 53 52.945 9.552 21.900 1.00 3.59 N ATOM 0 H ASN A 53 51.982 9.211 18.534 1.00 2.63 H new ATOM 0 HA ASN A 53 52.943 7.505 20.467 1.00 2.00 H new ATOM 0 HB2 ASN A 53 50.241 8.856 20.085 1.00 9.04 H new ATOM 0 HB3 ASN A 53 50.626 7.958 21.540 1.00 9.04 H new ATOM 0 HD21 ASN A 53 53.456 10.355 22.267 1.00 3.59 H new ATOM 0 HD22 ASN A 53 53.312 8.610 22.032 1.00 3.59 H new ATOM 780 N GLU A 54 50.334 6.218 18.880 1.00 5.74 N ATOM 781 CA GLU A 54 49.640 4.965 18.606 1.00 2.00 C ATOM 782 C GLU A 54 50.632 3.878 18.205 1.00 2.75 C ATOM 783 O GLU A 54 50.386 2.690 18.417 1.00 4.80 O ATOM 784 CB GLU A 54 48.621 5.167 17.483 1.00 2.00 C ATOM 785 CG GLU A 54 47.502 6.090 17.969 1.00 5.28 C ATOM 786 CD GLU A 54 46.301 5.263 18.417 1.00 15.98 C ATOM 787 OE1 GLU A 54 45.391 5.098 17.622 1.00 23.58 O ATOM 788 OE2 GLU A 54 46.310 4.807 19.549 1.00 23.43 O ATOM 0 H GLU A 54 49.958 7.029 18.389 1.00 5.74 H new ATOM 0 HA GLU A 54 49.124 4.652 19.514 1.00 2.00 H new ATOM 0 HB2 GLU A 54 49.108 5.598 16.609 1.00 2.00 H new ATOM 0 HB3 GLU A 54 48.207 4.207 17.176 1.00 2.00 H new ATOM 0 HG2 GLU A 54 47.859 6.704 18.795 1.00 5.28 H new ATOM 0 HG3 GLU A 54 47.208 6.770 17.170 1.00 5.28 H new ATOM 795 N VAL A 55 51.755 4.292 17.626 1.00 2.00 N ATOM 796 CA VAL A 55 52.777 3.344 17.201 1.00 3.29 C ATOM 797 C VAL A 55 53.845 3.187 18.278 1.00 5.38 C ATOM 798 O VAL A 55 54.573 2.195 18.305 1.00 3.32 O ATOM 799 CB VAL A 55 53.427 3.824 15.902 1.00 4.63 C ATOM 800 CG1 VAL A 55 54.280 2.700 15.311 1.00 7.60 C ATOM 801 CG2 VAL A 55 52.337 4.215 14.902 1.00 6.66 C ATOM 0 H VAL A 55 51.979 5.270 17.442 1.00 2.00 H new ATOM 0 HA VAL A 55 52.301 2.378 17.034 1.00 3.29 H new ATOM 0 HB VAL A 55 54.058 4.688 16.110 1.00 4.63 H new ATOM 0 HG11 VAL A 55 54.743 3.043 14.386 1.00 7.60 H new ATOM 0 HG12 VAL A 55 55.056 2.420 16.023 1.00 7.60 H new ATOM 0 HG13 VAL A 55 53.649 1.836 15.103 1.00 7.60 H new ATOM 0 HG21 VAL A 55 52.799 4.557 13.976 1.00 6.66 H new ATOM 0 HG22 VAL A 55 51.706 3.351 14.695 1.00 6.66 H new ATOM 0 HG23 VAL A 55 51.729 5.016 15.322 1.00 6.66 H new ATOM 811 N ASP A 56 53.932 4.172 19.166 1.00 4.38 N ATOM 812 CA ASP A 56 54.916 4.133 20.242 1.00 5.59 C ATOM 813 C ASP A 56 54.235 3.860 21.580 1.00 9.10 C ATOM 814 O ASP A 56 53.865 4.787 22.300 1.00 10.26 O ATOM 815 CB ASP A 56 55.668 5.463 20.312 1.00 5.02 C ATOM 816 CG ASP A 56 57.062 5.306 19.715 1.00 8.99 C ATOM 817 OD1 ASP A 56 57.776 4.421 20.154 1.00 10.72 O ATOM 818 OD2 ASP A 56 57.394 6.074 18.827 1.00 12.55 O ATOM 0 H ASP A 56 53.338 5.001 19.163 1.00 4.38 H new ATOM 0 HA ASP A 56 55.622 3.328 20.035 1.00 5.59 H new ATOM 0 HB2 ASP A 56 55.116 6.231 19.771 1.00 5.02 H new ATOM 0 HB3 ASP A 56 55.742 5.794 21.348 1.00 5.02 H new ATOM 823 N ALA A 57 54.074 2.582 21.906 1.00 9.17 N ATOM 824 CA ALA A 57 53.437 2.198 23.160 1.00 12.52 C ATOM 825 C ALA A 57 54.419 2.323 24.320 1.00 14.37 C ATOM 826 O ALA A 57 54.022 2.562 25.460 1.00 15.13 O ATOM 827 CB ALA A 57 52.932 0.757 23.070 1.00 12.36 C ATOM 0 H ALA A 57 54.373 1.800 21.324 1.00 9.17 H new ATOM 0 HA ALA A 57 52.595 2.867 23.337 1.00 12.52 H new ATOM 0 HB1 ALA A 57 52.458 0.478 24.011 1.00 12.36 H new ATOM 0 HB2 ALA A 57 52.207 0.675 22.260 1.00 12.36 H new ATOM 0 HB3 ALA A 57 53.771 0.089 22.875 1.00 12.36 H new ATOM 833 N ASP A 58 55.704 2.159 24.021 1.00 14.32 N ATOM 834 CA ASP A 58 56.735 2.256 25.048 1.00 13.48 C ATOM 835 C ASP A 58 57.161 3.708 25.244 1.00 13.08 C ATOM 836 O ASP A 58 58.054 4.001 26.039 1.00 14.09 O ATOM 837 CB ASP A 58 57.949 1.415 24.649 1.00 11.69 C ATOM 838 CG ASP A 58 57.499 0.029 24.202 1.00 12.70 C ATOM 839 OD1 ASP A 58 57.377 -0.836 25.053 1.00 6.62 O ATOM 840 OD2 ASP A 58 57.283 -0.148 23.014 1.00 9.36 O ATOM 0 H ASP A 58 56.054 1.960 23.084 1.00 14.32 H new ATOM 0 HA ASP A 58 56.325 1.880 25.985 1.00 13.48 H new ATOM 0 HB2 ASP A 58 58.494 1.907 23.843 1.00 11.69 H new ATOM 0 HB3 ASP A 58 58.635 1.329 25.492 1.00 11.69 H new ATOM 845 N GLY A 59 56.516 4.612 24.514 1.00 13.64 N ATOM 846 CA GLY A 59 56.837 6.031 24.616 1.00 12.80 C ATOM 847 C GLY A 59 58.332 6.266 24.427 1.00 12.45 C ATOM 848 O GLY A 59 58.853 7.324 24.782 1.00 11.32 O ATOM 0 H GLY A 59 55.774 4.390 23.850 1.00 13.64 H new ATOM 0 HA2 GLY A 59 56.279 6.589 23.864 1.00 12.80 H new ATOM 0 HA3 GLY A 59 56.526 6.409 25.590 1.00 12.80 H new ATOM 852 N ASP A 60 59.016 5.274 23.867 1.00 10.86 N ATOM 853 CA ASP A 60 60.451 5.384 23.636 1.00 11.08 C ATOM 854 C ASP A 60 60.753 6.526 22.671 1.00 11.89 C ATOM 855 O ASP A 60 61.863 7.057 22.649 1.00 13.26 O ATOM 856 CB ASP A 60 60.990 4.073 23.062 1.00 13.03 C ATOM 857 CG ASP A 60 60.074 3.575 21.950 1.00 13.27 C ATOM 858 OD1 ASP A 60 58.907 3.353 22.225 1.00 9.09 O ATOM 859 OD2 ASP A 60 60.553 3.424 20.838 1.00 7.54 O ATOM 0 H ASP A 60 58.603 4.391 23.567 1.00 10.86 H new ATOM 0 HA ASP A 60 60.938 5.590 24.589 1.00 11.08 H new ATOM 0 HB2 ASP A 60 61.998 4.223 22.674 1.00 13.03 H new ATOM 0 HB3 ASP A 60 61.060 3.323 23.850 1.00 13.03 H new ATOM 864 N GLY A 61 59.756 6.899 21.874 1.00 11.65 N ATOM 865 CA GLY A 61 59.926 7.979 20.910 1.00 9.60 C ATOM 866 C GLY A 61 60.354 7.435 19.551 1.00 9.33 C ATOM 867 O GLY A 61 60.525 8.190 18.595 1.00 7.68 O ATOM 0 H GLY A 61 58.829 6.473 21.877 1.00 11.65 H new ATOM 0 HA2 GLY A 61 58.991 8.530 20.807 1.00 9.60 H new ATOM 0 HA3 GLY A 61 60.673 8.684 21.276 1.00 9.60 H new ATOM 871 N THR A 62 60.526 6.119 19.474 1.00 6.58 N ATOM 872 CA THR A 62 60.935 5.484 18.227 1.00 6.33 C ATOM 873 C THR A 62 60.007 4.321 17.889 1.00 7.13 C ATOM 874 O THR A 62 59.389 3.729 18.774 1.00 6.30 O ATOM 875 CB THR A 62 62.373 4.974 18.347 1.00 7.99 C ATOM 876 OG1 THR A 62 62.686 4.764 19.717 1.00 9.62 O ATOM 877 CG2 THR A 62 63.333 6.005 17.754 1.00 11.55 C ATOM 0 H THR A 62 60.390 5.476 20.254 1.00 6.58 H new ATOM 0 HA THR A 62 60.878 6.224 17.429 1.00 6.33 H new ATOM 0 HB THR A 62 62.473 4.035 17.803 1.00 7.99 H new ATOM 0 HG1 THR A 62 62.010 4.181 20.121 1.00 9.62 H new ATOM 0 HG21 THR A 62 64.357 5.641 17.840 1.00 11.55 H new ATOM 0 HG22 THR A 62 63.092 6.165 16.703 1.00 11.55 H new ATOM 0 HG23 THR A 62 63.236 6.946 18.295 1.00 11.55 H new ATOM 885 N ILE A 63 59.915 3.999 16.602 1.00 7.32 N ATOM 886 CA ILE A 63 59.060 2.905 16.158 1.00 8.34 C ATOM 887 C ILE A 63 59.901 1.700 15.748 1.00 8.66 C ATOM 888 O ILE A 63 60.963 1.850 15.144 1.00 7.62 O ATOM 889 CB ILE A 63 58.203 3.359 14.975 1.00 8.46 C ATOM 890 CG1 ILE A 63 57.157 4.365 15.461 1.00 10.06 C ATOM 891 CG2 ILE A 63 57.498 2.149 14.361 1.00 7.97 C ATOM 892 CD1 ILE A 63 56.518 5.059 14.256 1.00 9.28 C ATOM 0 H ILE A 63 60.418 4.476 15.854 1.00 7.32 H new ATOM 0 HA ILE A 63 58.412 2.616 16.985 1.00 8.34 H new ATOM 0 HB ILE A 63 58.839 3.828 14.224 1.00 8.46 H new ATOM 0 HG12 ILE A 63 56.393 3.856 16.048 1.00 10.06 H new ATOM 0 HG13 ILE A 63 57.623 5.103 16.114 1.00 10.06 H new ATOM 0 HG21 ILE A 63 56.887 2.473 13.518 1.00 7.97 H new ATOM 0 HG22 ILE A 63 58.242 1.431 14.016 1.00 7.97 H new ATOM 0 HG23 ILE A 63 56.861 1.680 15.111 1.00 7.97 H new ATOM 0 HD11 ILE A 63 55.773 5.776 14.602 1.00 9.28 H new ATOM 0 HD12 ILE A 63 57.287 5.581 13.687 1.00 9.28 H new ATOM 0 HD13 ILE A 63 56.038 4.315 13.620 1.00 9.28 H new ATOM 904 N ASP A 64 59.418 0.507 16.079 1.00 8.67 N ATOM 905 CA ASP A 64 60.135 -0.717 15.739 1.00 8.18 C ATOM 906 C ASP A 64 59.535 -1.361 14.493 1.00 5.74 C ATOM 907 O ASP A 64 58.494 -0.927 13.999 1.00 3.75 O ATOM 908 CB ASP A 64 60.069 -1.703 16.907 1.00 8.75 C ATOM 909 CG ASP A 64 60.119 -0.947 18.230 1.00 7.61 C ATOM 910 OD1 ASP A 64 59.863 -1.562 19.252 1.00 11.33 O ATOM 911 OD2 ASP A 64 60.413 0.237 18.203 1.00 9.97 O ATOM 0 H ASP A 64 58.540 0.362 16.578 1.00 8.67 H new ATOM 0 HA ASP A 64 61.175 -0.462 15.537 1.00 8.18 H new ATOM 0 HB2 ASP A 64 59.152 -2.289 16.848 1.00 8.75 H new ATOM 0 HB3 ASP A 64 60.900 -2.405 16.848 1.00 8.75 H new ATOM 916 N PHE A 65 60.197 -2.397 13.990 1.00 6.48 N ATOM 917 CA PHE A 65 59.719 -3.093 12.802 1.00 6.44 C ATOM 918 C PHE A 65 58.457 -3.901 13.115 1.00 6.12 C ATOM 919 O PHE A 65 57.419 -3.705 12.482 1.00 4.44 O ATOM 920 CB PHE A 65 60.821 -4.009 12.254 1.00 5.02 C ATOM 921 CG PHE A 65 60.207 -5.229 11.607 1.00 5.00 C ATOM 922 CD1 PHE A 65 59.163 -5.081 10.685 1.00 7.40 C ATOM 923 CD2 PHE A 65 60.681 -6.507 11.928 1.00 5.31 C ATOM 924 CE1 PHE A 65 58.594 -6.210 10.084 1.00 6.56 C ATOM 925 CE2 PHE A 65 60.112 -7.636 11.327 1.00 7.32 C ATOM 926 CZ PHE A 65 59.068 -7.488 10.405 1.00 5.90 C ATOM 0 H PHE A 65 61.060 -2.771 14.383 1.00 6.48 H new ATOM 0 HA PHE A 65 59.465 -2.352 12.044 1.00 6.44 H new ATOM 0 HB2 PHE A 65 61.427 -3.468 11.527 1.00 5.02 H new ATOM 0 HB3 PHE A 65 61.488 -4.312 13.061 1.00 5.02 H new ATOM 0 HD1 PHE A 65 58.797 -4.096 10.438 1.00 7.40 H new ATOM 0 HD2 PHE A 65 61.486 -6.622 12.639 1.00 5.31 H new ATOM 0 HE1 PHE A 65 57.789 -6.095 9.373 1.00 6.56 H new ATOM 0 HE2 PHE A 65 60.478 -8.621 11.574 1.00 7.32 H new ATOM 0 HZ PHE A 65 58.629 -8.359 9.942 1.00 5.90 H new ATOM 936 N PRO A 66 58.518 -4.795 14.073 1.00 5.59 N ATOM 937 CA PRO A 66 57.341 -5.630 14.459 1.00 3.90 C ATOM 938 C PRO A 66 56.185 -4.780 14.979 1.00 4.48 C ATOM 939 O PRO A 66 55.023 -5.034 14.662 1.00 6.66 O ATOM 940 CB PRO A 66 57.876 -6.555 15.558 1.00 6.57 C ATOM 941 CG PRO A 66 59.127 -5.911 16.056 1.00 2.24 C ATOM 942 CD PRO A 66 59.700 -5.114 14.888 1.00 3.70 C ATOM 0 HA PRO A 66 56.936 -6.176 13.607 1.00 3.90 H new ATOM 0 HB2 PRO A 66 57.148 -6.670 16.361 1.00 6.57 H new ATOM 0 HB3 PRO A 66 58.078 -7.552 15.166 1.00 6.57 H new ATOM 0 HG2 PRO A 66 58.916 -5.259 16.904 1.00 2.24 H new ATOM 0 HG3 PRO A 66 59.839 -6.661 16.400 1.00 2.24 H new ATOM 0 HD2 PRO A 66 60.207 -4.211 15.229 1.00 3.70 H new ATOM 0 HD3 PRO A 66 60.430 -5.696 14.325 1.00 3.70 H new ATOM 950 N GLU A 67 56.514 -3.768 15.776 1.00 3.17 N ATOM 951 CA GLU A 67 55.495 -2.885 16.331 1.00 5.95 C ATOM 952 C GLU A 67 54.792 -2.119 15.215 1.00 6.62 C ATOM 953 O GLU A 67 53.731 -1.531 15.425 1.00 3.48 O ATOM 954 CB GLU A 67 56.134 -1.897 17.308 1.00 5.69 C ATOM 955 CG GLU A 67 56.418 -2.602 18.635 1.00 5.12 C ATOM 956 CD GLU A 67 56.852 -1.584 19.684 1.00 3.86 C ATOM 957 OE1 GLU A 67 57.834 -1.843 20.361 1.00 7.44 O ATOM 958 OE2 GLU A 67 56.197 -0.561 19.795 1.00 5.11 O ATOM 0 H GLU A 67 57.470 -3.540 16.050 1.00 3.17 H new ATOM 0 HA GLU A 67 54.761 -3.492 16.861 1.00 5.95 H new ATOM 0 HB2 GLU A 67 57.059 -1.502 16.889 1.00 5.69 H new ATOM 0 HB3 GLU A 67 55.469 -1.048 17.470 1.00 5.69 H new ATOM 0 HG2 GLU A 67 55.526 -3.129 18.975 1.00 5.12 H new ATOM 0 HG3 GLU A 67 57.198 -3.351 18.499 1.00 5.12 H new ATOM 965 N PHE A 68 55.391 -2.133 14.029 1.00 6.05 N ATOM 966 CA PHE A 68 54.815 -1.438 12.884 1.00 4.52 C ATOM 967 C PHE A 68 53.694 -2.267 12.266 1.00 3.96 C ATOM 968 O PHE A 68 52.787 -1.728 11.632 1.00 5.29 O ATOM 969 CB PHE A 68 55.896 -1.175 11.834 1.00 4.53 C ATOM 970 CG PHE A 68 55.347 -0.265 10.762 1.00 2.68 C ATOM 971 CD1 PHE A 68 54.977 1.048 11.080 1.00 8.58 C ATOM 972 CD2 PHE A 68 55.206 -0.733 9.450 1.00 2.58 C ATOM 973 CE1 PHE A 68 54.468 1.892 10.085 1.00 5.36 C ATOM 974 CE2 PHE A 68 54.697 0.111 8.456 1.00 7.42 C ATOM 975 CZ PHE A 68 54.328 1.423 8.774 1.00 2.84 C ATOM 0 H PHE A 68 56.269 -2.615 13.836 1.00 6.05 H new ATOM 0 HA PHE A 68 54.405 -0.488 13.227 1.00 4.52 H new ATOM 0 HB2 PHE A 68 56.768 -0.718 12.302 1.00 4.53 H new ATOM 0 HB3 PHE A 68 56.226 -2.116 11.393 1.00 4.53 H new ATOM 0 HD1 PHE A 68 55.084 1.409 12.092 1.00 8.58 H new ATOM 0 HD2 PHE A 68 55.490 -1.746 9.205 1.00 2.58 H new ATOM 0 HE1 PHE A 68 54.184 2.905 10.329 1.00 5.36 H new ATOM 0 HE2 PHE A 68 54.589 -0.250 7.444 1.00 7.42 H new ATOM 0 HZ PHE A 68 53.935 2.074 8.007 1.00 2.84 H new ATOM 985 N LEU A 69 53.760 -3.581 12.461 1.00 3.21 N ATOM 986 CA LEU A 69 52.742 -4.476 11.924 1.00 2.17 C ATOM 987 C LEU A 69 51.536 -4.531 12.856 1.00 2.00 C ATOM 988 O LEU A 69 50.391 -4.529 12.405 1.00 4.25 O ATOM 989 CB LEU A 69 53.321 -5.882 11.752 1.00 4.14 C ATOM 990 CG LEU A 69 54.238 -5.912 10.528 1.00 4.19 C ATOM 991 CD1 LEU A 69 55.614 -5.362 10.907 1.00 3.81 C ATOM 992 CD2 LEU A 69 54.385 -7.355 10.040 1.00 9.43 C ATOM 0 H LEU A 69 54.502 -4.046 12.983 1.00 3.21 H new ATOM 0 HA LEU A 69 52.422 -4.095 10.954 1.00 2.17 H new ATOM 0 HB2 LEU A 69 53.878 -6.169 12.644 1.00 4.14 H new ATOM 0 HB3 LEU A 69 52.515 -6.606 11.633 1.00 4.14 H new ATOM 0 HG LEU A 69 53.807 -5.299 9.736 1.00 4.19 H new ATOM 0 HD11 LEU A 69 56.267 -5.383 10.035 1.00 3.81 H new ATOM 0 HD12 LEU A 69 55.511 -4.335 11.258 1.00 3.81 H new ATOM 0 HD13 LEU A 69 56.045 -5.975 11.699 1.00 3.81 H new ATOM 0 HD21 LEU A 69 55.038 -7.379 9.168 1.00 9.43 H new ATOM 0 HD22 LEU A 69 54.816 -7.965 10.833 1.00 9.43 H new ATOM 0 HD23 LEU A 69 53.405 -7.750 9.771 1.00 9.43 H new ATOM 1004 N THR A 70 51.803 -4.580 14.157 1.00 3.70 N ATOM 1005 CA THR A 70 50.732 -4.637 15.145 1.00 5.12 C ATOM 1006 C THR A 70 49.852 -3.395 15.052 1.00 5.47 C ATOM 1007 O THR A 70 48.625 -3.488 15.085 1.00 6.71 O ATOM 1008 CB THR A 70 51.324 -4.742 16.553 1.00 6.65 C ATOM 1009 OG1 THR A 70 50.399 -5.404 17.405 1.00 7.41 O ATOM 1010 CG2 THR A 70 51.609 -3.341 17.097 1.00 7.53 C ATOM 0 H THR A 70 52.744 -4.581 14.550 1.00 3.70 H new ATOM 0 HA THR A 70 50.122 -5.517 14.942 1.00 5.12 H new ATOM 0 HB THR A 70 52.254 -5.309 16.514 1.00 6.65 H new ATOM 0 HG1 THR A 70 50.777 -5.474 18.307 1.00 7.41 H new ATOM 0 HG21 THR A 70 52.030 -3.419 18.099 1.00 7.53 H new ATOM 0 HG22 THR A 70 52.319 -2.834 16.443 1.00 7.53 H new ATOM 0 HG23 THR A 70 50.681 -2.770 17.137 1.00 7.53 H new ATOM 1018 N MET A 71 50.486 -2.233 14.933 1.00 4.38 N ATOM 1019 CA MET A 71 49.749 -0.979 14.834 1.00 6.23 C ATOM 1020 C MET A 71 48.715 -1.054 13.716 1.00 7.97 C ATOM 1021 O MET A 71 47.568 -0.642 13.889 1.00 7.91 O ATOM 1022 CB MET A 71 50.716 0.175 14.562 1.00 7.76 C ATOM 1023 CG MET A 71 49.951 1.500 14.593 1.00 9.30 C ATOM 1024 SD MET A 71 50.491 2.540 13.214 1.00 11.86 S ATOM 1025 CE MET A 71 48.848 3.075 12.677 1.00 11.60 C ATOM 0 H MET A 71 51.501 -2.134 14.903 1.00 4.38 H new ATOM 0 HA MET A 71 49.234 -0.805 15.779 1.00 6.23 H new ATOM 0 HB2 MET A 71 51.509 0.183 15.310 1.00 7.76 H new ATOM 0 HB3 MET A 71 51.194 0.042 13.592 1.00 7.76 H new ATOM 0 HG2 MET A 71 48.879 1.315 14.525 1.00 9.30 H new ATOM 0 HG3 MET A 71 50.127 2.012 15.539 1.00 9.30 H new ATOM 0 HE1 MET A 71 48.944 3.739 11.818 1.00 11.60 H new ATOM 0 HE2 MET A 71 48.255 2.204 12.397 1.00 11.60 H new ATOM 0 HE3 MET A 71 48.353 3.604 13.492 1.00 11.60 H new ATOM 1035 N MET A 72 49.129 -1.582 12.569 1.00 9.49 N ATOM 1036 CA MET A 72 48.229 -1.707 11.428 1.00 9.20 C ATOM 1037 C MET A 72 47.338 -2.935 11.580 1.00 8.73 C ATOM 1038 O MET A 72 46.124 -2.860 11.390 1.00 8.56 O ATOM 1039 CB MET A 72 49.038 -1.818 10.134 1.00 11.85 C ATOM 1040 CG MET A 72 48.141 -1.489 8.940 1.00 12.33 C ATOM 1041 SD MET A 72 46.763 -2.661 8.879 1.00 22.32 S ATOM 1042 CE MET A 72 45.838 -1.855 7.549 1.00 15.46 C ATOM 0 H MET A 72 50.074 -1.928 12.405 1.00 9.49 H new ATOM 0 HA MET A 72 47.599 -0.818 11.387 1.00 9.20 H new ATOM 0 HB2 MET A 72 49.887 -1.135 10.164 1.00 11.85 H new ATOM 0 HB3 MET A 72 49.443 -2.825 10.031 1.00 11.85 H new ATOM 0 HG2 MET A 72 47.762 -0.470 9.026 1.00 12.33 H new ATOM 0 HG3 MET A 72 48.716 -1.539 8.015 1.00 12.33 H new ATOM 0 HE1 MET A 72 44.930 -2.421 7.342 1.00 15.46 H new ATOM 0 HE2 MET A 72 45.573 -0.842 7.852 1.00 15.46 H new ATOM 0 HE3 MET A 72 46.453 -1.815 6.650 1.00 15.46 H new ATOM 1052 N ALA A 73 47.949 -4.064 11.925 1.00 8.08 N ATOM 1053 CA ALA A 73 47.200 -5.303 12.101 1.00 7.41 C ATOM 1054 C ALA A 73 46.112 -5.127 13.155 1.00 8.06 C ATOM 1055 O ALA A 73 44.939 -5.402 12.902 1.00 5.90 O ATOM 1056 CB ALA A 73 48.146 -6.429 12.524 1.00 9.15 C ATOM 0 H ALA A 73 48.953 -4.147 12.087 1.00 8.08 H new ATOM 0 HA ALA A 73 46.731 -5.560 11.151 1.00 7.41 H new ATOM 0 HB1 ALA A 73 47.579 -7.351 12.653 1.00 9.15 H new ATOM 0 HB2 ALA A 73 48.905 -6.575 11.755 1.00 9.15 H new ATOM 0 HB3 ALA A 73 48.629 -6.165 13.465 1.00 9.15 H new ATOM 1062 N ARG A 74 46.509 -4.667 14.337 1.00 7.07 N ATOM 1063 CA ARG A 74 45.559 -4.459 15.423 1.00 10.51 C ATOM 1064 C ARG A 74 44.309 -3.749 14.912 1.00 13.70 C ATOM 1065 O ARG A 74 43.188 -4.204 15.140 1.00 13.80 O ATOM 1066 CB ARG A 74 46.205 -3.624 16.530 1.00 9.06 C ATOM 1067 CG ARG A 74 45.276 -3.580 17.745 1.00 8.61 C ATOM 1068 CD ARG A 74 45.817 -2.577 18.766 1.00 8.72 C ATOM 1069 NE ARG A 74 44.848 -2.376 19.838 1.00 7.70 N ATOM 1070 CZ ARG A 74 45.239 -2.038 21.062 1.00 10.03 C ATOM 1071 NH1 ARG A 74 44.353 -1.864 22.005 1.00 9.17 N ATOM 1072 NH2 ARG A 74 46.508 -1.879 21.322 1.00 12.90 N ATOM 0 H ARG A 74 47.475 -4.433 14.566 1.00 7.07 H new ATOM 0 HA ARG A 74 45.274 -5.432 15.822 1.00 10.51 H new ATOM 0 HB2 ARG A 74 47.167 -4.054 16.810 1.00 9.06 H new ATOM 0 HB3 ARG A 74 46.400 -2.613 16.171 1.00 9.06 H new ATOM 0 HG2 ARG A 74 44.270 -3.294 17.437 1.00 8.61 H new ATOM 0 HG3 ARG A 74 45.202 -4.570 18.196 1.00 8.61 H new ATOM 0 HD2 ARG A 74 46.758 -2.940 19.180 1.00 8.72 H new ATOM 0 HD3 ARG A 74 46.030 -1.627 18.276 1.00 8.72 H new ATOM 0 HE ARG A 74 43.854 -2.497 19.645 1.00 7.70 H new ATOM 0 HH11 ARG A 74 43.361 -1.988 21.802 1.00 9.17 H new ATOM 0 HH12 ARG A 74 44.653 -1.605 22.945 1.00 9.17 H new ATOM 0 HH21 ARG A 74 47.200 -2.014 20.585 1.00 12.90 H new ATOM 0 HH22 ARG A 74 46.807 -1.619 22.262 1.00 12.90 H new ATOM 1086 N LYS A 75 44.510 -2.633 14.219 1.00 16.35 N ATOM 1087 CA LYS A 75 43.391 -1.869 13.680 1.00 20.00 C ATOM 1088 C LYS A 75 42.365 -2.800 13.042 1.00 24.09 C ATOM 1089 O LYS A 75 41.159 -2.566 13.132 1.00 25.18 O ATOM 1090 CB LYS A 75 43.895 -0.870 12.637 1.00 19.04 C ATOM 1091 CG LYS A 75 44.180 0.473 13.312 1.00 19.89 C ATOM 1092 CD LYS A 75 42.953 1.379 13.187 1.00 18.07 C ATOM 1093 CE LYS A 75 43.242 2.725 13.852 1.00 18.98 C ATOM 1094 NZ LYS A 75 42.036 3.596 13.756 1.00 19.67 N ATOM 0 H LYS A 75 45.430 -2.240 14.019 1.00 16.35 H new ATOM 0 HA LYS A 75 42.915 -1.329 14.499 1.00 20.00 H new ATOM 0 HB2 LYS A 75 44.800 -1.249 12.162 1.00 19.04 H new ATOM 0 HB3 LYS A 75 43.151 -0.743 11.850 1.00 19.04 H new ATOM 0 HG2 LYS A 75 44.426 0.319 14.363 1.00 19.89 H new ATOM 0 HG3 LYS A 75 45.045 0.948 12.849 1.00 19.89 H new ATOM 0 HD2 LYS A 75 42.703 1.527 12.136 1.00 18.07 H new ATOM 0 HD3 LYS A 75 42.090 0.907 13.657 1.00 18.07 H new ATOM 0 HE2 LYS A 75 43.513 2.576 14.897 1.00 18.98 H new ATOM 0 HE3 LYS A 75 44.091 3.207 13.368 1.00 18.98 H new ATOM 0 HZ1 LYS A 75 42.232 4.512 14.208 1.00 19.67 H new ATOM 0 HZ2 LYS A 75 41.796 3.748 12.755 1.00 19.67 H new ATOM 0 HZ3 LYS A 75 41.237 3.136 14.237 1.00 19.67 H new ATOM 1108 N MET A 76 42.851 -3.855 12.397 1.00 27.98 N ATOM 1109 CA MET A 76 41.967 -4.815 11.747 1.00 31.28 C ATOM 1110 C MET A 76 41.464 -5.847 12.752 1.00 33.28 C ATOM 1111 O MET A 76 40.323 -6.301 12.671 1.00 34.71 O ATOM 1112 CB MET A 76 42.709 -5.524 10.613 1.00 31.71 C ATOM 1113 CG MET A 76 42.514 -4.748 9.310 1.00 33.18 C ATOM 1114 SD MET A 76 43.433 -5.560 7.979 1.00 34.79 S ATOM 1115 CE MET A 76 42.370 -5.031 6.613 1.00 33.37 C ATOM 0 H MET A 76 43.845 -4.066 12.311 1.00 27.98 H new ATOM 0 HA MET A 76 41.112 -4.275 11.340 1.00 31.28 H new ATOM 0 HB2 MET A 76 43.771 -5.597 10.849 1.00 31.71 H new ATOM 0 HB3 MET A 76 42.336 -6.542 10.501 1.00 31.71 H new ATOM 0 HG2 MET A 76 41.455 -4.700 9.058 1.00 33.18 H new ATOM 0 HG3 MET A 76 42.859 -3.721 9.431 1.00 33.18 H new ATOM 0 HE1 MET A 76 42.759 -5.427 5.675 1.00 33.37 H new ATOM 0 HE2 MET A 76 41.359 -5.404 6.773 1.00 33.37 H new ATOM 0 HE3 MET A 76 42.352 -3.942 6.567 1.00 33.37 H new ATOM 1125 N LYS A 77 42.323 -6.211 13.698 1.00 35.40 N ATOM 1126 CA LYS A 77 41.955 -7.191 14.714 1.00 36.50 C ATOM 1127 C LYS A 77 40.943 -6.597 15.689 1.00 37.55 C ATOM 1128 O LYS A 77 41.013 -6.838 16.895 1.00 37.57 O ATOM 1129 CB LYS A 77 43.200 -7.642 15.480 1.00 36.85 C ATOM 1130 CG LYS A 77 42.913 -8.968 16.187 1.00 37.43 C ATOM 1131 CD LYS A 77 43.496 -10.120 15.367 1.00 37.60 C ATOM 1132 CE LYS A 77 42.854 -11.437 15.808 1.00 37.65 C ATOM 1133 NZ LYS A 77 43.347 -12.544 14.940 1.00 35.44 N ATOM 0 H LYS A 77 43.272 -5.846 13.783 1.00 35.40 H new ATOM 0 HA LYS A 77 41.504 -8.050 14.217 1.00 36.50 H new ATOM 0 HB2 LYS A 77 44.039 -7.758 14.794 1.00 36.85 H new ATOM 0 HB3 LYS A 77 43.486 -6.884 16.209 1.00 36.85 H new ATOM 0 HG2 LYS A 77 43.349 -8.962 17.186 1.00 37.43 H new ATOM 0 HG3 LYS A 77 41.838 -9.102 16.309 1.00 37.43 H new ATOM 0 HD2 LYS A 77 43.315 -9.953 14.305 1.00 37.60 H new ATOM 0 HD3 LYS A 77 44.577 -10.167 15.503 1.00 37.60 H new ATOM 0 HE2 LYS A 77 43.098 -11.642 16.851 1.00 37.65 H new ATOM 0 HE3 LYS A 77 41.768 -11.365 15.743 1.00 37.65 H new ATOM 0 HZ1 LYS A 77 42.911 -13.440 15.239 1.00 35.44 H new ATOM 0 HZ2 LYS A 77 43.093 -12.349 13.951 1.00 35.44 H new ATOM 0 HZ3 LYS A 77 44.381 -12.617 15.024 1.00 35.44 H new ATOM 1147 N ASP A 78 40.003 -5.822 15.160 1.00 38.44 N ATOM 1148 CA ASP A 78 38.981 -5.199 15.993 1.00 38.90 C ATOM 1149 C ASP A 78 37.974 -4.443 15.132 1.00 38.64 C ATOM 1150 O ASP A 78 37.857 -4.694 13.933 1.00 38.62 O ATOM 1151 CB ASP A 78 39.633 -4.234 16.985 1.00 39.45 C ATOM 1152 CG ASP A 78 40.472 -3.205 16.236 1.00 40.62 C ATOM 1153 OD1 ASP A 78 40.089 -2.845 15.135 1.00 41.55 O ATOM 1154 OD2 ASP A 78 41.486 -2.792 16.774 1.00 42.58 O ATOM 0 H ASP A 78 39.927 -5.611 14.165 1.00 38.44 H new ATOM 0 HA ASP A 78 38.457 -5.983 16.540 1.00 38.90 H new ATOM 0 HB2 ASP A 78 38.866 -3.731 17.574 1.00 39.45 H new ATOM 0 HB3 ASP A 78 40.260 -4.787 17.685 1.00 39.45 H new ATOM 1159 N THR A 79 37.250 -3.518 15.752 1.00 38.19 N ATOM 1160 CA THR A 79 36.255 -2.731 15.032 1.00 37.86 C ATOM 1161 C THR A 79 36.929 -1.628 14.223 1.00 37.73 C ATOM 1162 O THR A 79 38.036 -1.196 14.545 1.00 37.97 O ATOM 1163 CB THR A 79 35.265 -2.110 16.020 1.00 37.85 C ATOM 1164 OG1 THR A 79 35.973 -1.609 17.145 1.00 37.57 O ATOM 1165 CG2 THR A 79 34.263 -3.171 16.476 1.00 38.40 C ATOM 0 H THR A 79 37.332 -3.295 16.744 1.00 38.19 H new ATOM 0 HA THR A 79 35.720 -3.392 14.350 1.00 37.86 H new ATOM 0 HB THR A 79 34.730 -1.294 15.534 1.00 37.85 H new ATOM 0 HG1 THR A 79 35.341 -1.209 17.778 1.00 37.57 H new ATOM 0 HG21 THR A 79 33.558 -2.728 17.180 1.00 38.40 H new ATOM 0 HG22 THR A 79 33.720 -3.554 15.612 1.00 38.40 H new ATOM 0 HG23 THR A 79 34.795 -3.989 16.962 1.00 38.40 H new ATOM 1173 N ASP A 80 36.254 -1.176 13.171 1.00 36.93 N ATOM 1174 CA ASP A 80 36.798 -0.122 12.322 1.00 35.96 C ATOM 1175 C ASP A 80 35.971 1.153 12.454 1.00 34.62 C ATOM 1176 O ASP A 80 34.768 1.100 12.714 1.00 34.15 O ATOM 1177 CB ASP A 80 36.805 -0.579 10.862 1.00 36.21 C ATOM 1178 CG ASP A 80 35.391 -0.535 10.295 1.00 36.84 C ATOM 1179 OD1 ASP A 80 34.644 -1.467 10.547 1.00 37.34 O ATOM 1180 OD2 ASP A 80 35.074 0.429 9.618 1.00 37.51 O ATOM 0 H ASP A 80 35.337 -1.520 12.887 1.00 36.93 H new ATOM 0 HA ASP A 80 37.819 0.086 12.642 1.00 35.96 H new ATOM 0 HB2 ASP A 80 37.461 0.063 10.275 1.00 36.21 H new ATOM 0 HB3 ASP A 80 37.203 -1.591 10.791 1.00 36.21 H new ATOM 1185 N SER A 81 36.622 2.297 12.274 1.00 33.12 N ATOM 1186 CA SER A 81 35.936 3.580 12.376 1.00 32.50 C ATOM 1187 C SER A 81 35.805 4.228 11.001 1.00 31.96 C ATOM 1188 O SER A 81 36.741 4.206 10.202 1.00 32.51 O ATOM 1189 CB SER A 81 36.708 4.512 13.309 1.00 32.54 C ATOM 1190 OG SER A 81 36.797 3.917 14.598 1.00 31.58 O ATOM 0 H SER A 81 37.617 2.363 12.058 1.00 33.12 H new ATOM 0 HA SER A 81 34.939 3.406 12.780 1.00 32.50 H new ATOM 0 HB2 SER A 81 37.706 4.698 12.912 1.00 32.54 H new ATOM 0 HB3 SER A 81 36.206 5.477 13.375 1.00 32.54 H new ATOM 0 HG SER A 81 37.293 4.511 15.199 1.00 31.58 H new ATOM 1196 N GLU A 82 34.637 4.803 10.732 1.00 30.82 N ATOM 1197 CA GLU A 82 34.394 5.454 9.450 1.00 29.89 C ATOM 1198 C GLU A 82 34.906 6.891 9.473 1.00 28.70 C ATOM 1199 O GLU A 82 34.971 7.554 8.438 1.00 28.16 O ATOM 1200 CB GLU A 82 32.897 5.448 9.136 1.00 30.37 C ATOM 1201 CG GLU A 82 32.436 4.014 8.870 1.00 31.12 C ATOM 1202 CD GLU A 82 31.080 4.023 8.173 1.00 32.64 C ATOM 1203 OE1 GLU A 82 30.763 5.022 7.549 1.00 34.28 O ATOM 1204 OE2 GLU A 82 30.377 3.031 8.275 1.00 32.86 O ATOM 0 H GLU A 82 33.849 4.831 11.379 1.00 30.82 H new ATOM 0 HA GLU A 82 34.929 4.902 8.677 1.00 29.89 H new ATOM 0 HB2 GLU A 82 32.338 5.872 9.970 1.00 30.37 H new ATOM 0 HB3 GLU A 82 32.695 6.073 8.266 1.00 30.37 H new ATOM 0 HG2 GLU A 82 33.169 3.497 8.251 1.00 31.12 H new ATOM 0 HG3 GLU A 82 32.368 3.465 9.809 1.00 31.12 H new ATOM 1211 N GLU A 83 35.267 7.366 10.661 1.00 27.40 N ATOM 1212 CA GLU A 83 35.771 8.727 10.806 1.00 26.44 C ATOM 1213 C GLU A 83 37.083 8.898 10.049 1.00 24.80 C ATOM 1214 O GLU A 83 37.318 9.929 9.419 1.00 24.59 O ATOM 1215 CB GLU A 83 35.988 9.048 12.287 1.00 26.68 C ATOM 1216 CG GLU A 83 36.957 8.031 12.893 1.00 28.12 C ATOM 1217 CD GLU A 83 38.311 8.686 13.143 1.00 29.86 C ATOM 1218 OE1 GLU A 83 38.339 9.708 13.809 1.00 30.91 O ATOM 1219 OE2 GLU A 83 39.300 8.157 12.664 1.00 30.49 O ATOM 0 H GLU A 83 35.221 6.834 11.530 1.00 27.40 H new ATOM 0 HA GLU A 83 35.034 9.413 10.389 1.00 26.44 H new ATOM 0 HB2 GLU A 83 36.387 10.056 12.397 1.00 26.68 H new ATOM 0 HB3 GLU A 83 35.037 9.022 12.819 1.00 26.68 H new ATOM 0 HG2 GLU A 83 36.553 7.644 13.828 1.00 28.12 H new ATOM 0 HG3 GLU A 83 37.073 7.181 12.220 1.00 28.12 H new ATOM 1226 N GLU A 84 37.936 7.880 10.114 1.00 22.86 N ATOM 1227 CA GLU A 84 39.223 7.929 9.429 1.00 21.10 C ATOM 1228 C GLU A 84 39.066 7.536 7.964 1.00 19.58 C ATOM 1229 O GLU A 84 39.495 8.261 7.067 1.00 18.69 O ATOM 1230 CB GLU A 84 40.214 6.984 10.111 1.00 21.32 C ATOM 1231 CG GLU A 84 41.563 7.687 10.272 1.00 21.26 C ATOM 1232 CD GLU A 84 42.140 8.026 8.902 1.00 20.61 C ATOM 1233 OE1 GLU A 84 42.977 7.274 8.431 1.00 18.73 O ATOM 1234 OE2 GLU A 84 41.738 9.035 8.345 1.00 19.88 O ATOM 0 H GLU A 84 37.761 7.018 10.630 1.00 22.86 H new ATOM 0 HA GLU A 84 39.602 8.950 9.480 1.00 21.10 H new ATOM 0 HB2 GLU A 84 39.832 6.681 11.086 1.00 21.32 H new ATOM 0 HB3 GLU A 84 40.333 6.077 9.519 1.00 21.32 H new ATOM 0 HG2 GLU A 84 41.441 8.597 10.860 1.00 21.26 H new ATOM 0 HG3 GLU A 84 42.254 7.045 10.818 1.00 21.26 H new ATOM 1241 N ILE A 85 38.447 6.383 7.730 1.00 18.05 N ATOM 1242 CA ILE A 85 38.239 5.902 6.369 1.00 17.24 C ATOM 1243 C ILE A 85 37.667 7.011 5.491 1.00 15.64 C ATOM 1244 O ILE A 85 37.761 6.956 4.265 1.00 14.56 O ATOM 1245 CB ILE A 85 37.281 4.710 6.378 1.00 17.25 C ATOM 1246 CG1 ILE A 85 38.060 3.434 6.704 1.00 18.63 C ATOM 1247 CG2 ILE A 85 36.626 4.569 5.002 1.00 19.17 C ATOM 1248 CD1 ILE A 85 37.088 2.341 7.150 1.00 18.98 C ATOM 0 H ILE A 85 38.083 5.769 8.459 1.00 18.05 H new ATOM 0 HA ILE A 85 39.201 5.591 5.962 1.00 17.24 H new ATOM 0 HB ILE A 85 36.510 4.870 7.132 1.00 17.25 H new ATOM 0 HG12 ILE A 85 38.619 3.103 5.829 1.00 18.63 H new ATOM 0 HG13 ILE A 85 38.788 3.631 7.491 1.00 18.63 H new ATOM 0 HG21 ILE A 85 35.943 3.719 5.009 1.00 19.17 H new ATOM 0 HG22 ILE A 85 36.072 5.478 4.768 1.00 19.17 H new ATOM 0 HG23 ILE A 85 37.396 4.409 4.247 1.00 19.17 H new ATOM 0 HD11 ILE A 85 37.644 1.432 7.382 1.00 18.98 H new ATOM 0 HD12 ILE A 85 36.549 2.673 8.037 1.00 18.98 H new ATOM 0 HD13 ILE A 85 36.377 2.137 6.349 1.00 18.98 H new ATOM 1260 N ARG A 86 37.076 8.017 6.127 1.00 14.41 N ATOM 1261 CA ARG A 86 36.492 9.134 5.394 1.00 13.90 C ATOM 1262 C ARG A 86 37.571 10.137 4.998 1.00 12.70 C ATOM 1263 O ARG A 86 37.720 10.471 3.822 1.00 11.99 O ATOM 1264 CB ARG A 86 35.437 9.830 6.255 1.00 14.24 C ATOM 1265 CG ARG A 86 34.747 10.922 5.436 1.00 17.61 C ATOM 1266 CD ARG A 86 33.389 11.248 6.059 1.00 20.77 C ATOM 1267 NE ARG A 86 33.529 11.450 7.497 1.00 24.52 N ATOM 1268 CZ ARG A 86 32.471 11.705 8.261 1.00 25.58 C ATOM 1269 NH1 ARG A 86 32.622 11.882 9.545 1.00 26.77 N ATOM 1270 NH2 ARG A 86 31.283 11.777 7.727 1.00 26.85 N ATOM 0 H ARG A 86 36.989 8.082 7.141 1.00 14.41 H new ATOM 0 HA ARG A 86 36.023 8.745 4.490 1.00 13.90 H new ATOM 0 HB2 ARG A 86 34.702 9.105 6.605 1.00 14.24 H new ATOM 0 HB3 ARG A 86 35.903 10.264 7.139 1.00 14.24 H new ATOM 0 HG2 ARG A 86 35.369 11.817 5.406 1.00 17.61 H new ATOM 0 HG3 ARG A 86 34.616 10.590 4.406 1.00 17.61 H new ATOM 0 HD2 ARG A 86 32.975 12.144 5.597 1.00 20.77 H new ATOM 0 HD3 ARG A 86 32.688 10.436 5.865 1.00 20.77 H new ATOM 0 HE ARG A 86 34.454 11.395 7.923 1.00 24.52 H new ATOM 0 HH11 ARG A 86 33.551 11.825 9.962 1.00 26.77 H new ATOM 0 HH12 ARG A 86 31.811 12.078 10.132 1.00 26.77 H new ATOM 0 HH21 ARG A 86 31.166 11.638 6.723 1.00 26.85 H new ATOM 0 HH22 ARG A 86 30.471 11.973 8.313 1.00 26.85 H new ATOM 1284 N GLU A 87 38.319 10.615 5.986 1.00 11.87 N ATOM 1285 CA GLU A 87 39.382 11.581 5.729 1.00 11.27 C ATOM 1286 C GLU A 87 40.442 10.980 4.812 1.00 10.38 C ATOM 1287 O GLU A 87 40.861 11.605 3.838 1.00 9.38 O ATOM 1288 CB GLU A 87 40.029 12.010 7.047 1.00 11.16 C ATOM 1289 CG GLU A 87 38.941 12.431 8.037 1.00 12.67 C ATOM 1290 CD GLU A 87 39.499 12.431 9.456 1.00 13.78 C ATOM 1291 OE1 GLU A 87 39.935 11.382 9.900 1.00 15.83 O ATOM 1292 OE2 GLU A 87 39.481 13.480 10.079 1.00 16.48 O ATOM 0 H GLU A 87 38.211 10.352 6.966 1.00 11.87 H new ATOM 0 HA GLU A 87 38.945 12.451 5.239 1.00 11.27 H new ATOM 0 HB2 GLU A 87 40.614 11.189 7.461 1.00 11.16 H new ATOM 0 HB3 GLU A 87 40.718 12.837 6.874 1.00 11.16 H new ATOM 0 HG2 GLU A 87 38.571 13.424 7.783 1.00 12.67 H new ATOM 0 HG3 GLU A 87 38.094 11.749 7.971 1.00 12.67 H new ATOM 1299 N ALA A 88 40.871 9.763 5.130 1.00 9.34 N ATOM 1300 CA ALA A 88 41.883 9.087 4.328 1.00 9.01 C ATOM 1301 C ALA A 88 41.402 8.915 2.891 1.00 8.92 C ATOM 1302 O ALA A 88 42.195 8.957 1.950 1.00 8.79 O ATOM 1303 CB ALA A 88 42.197 7.716 4.930 1.00 9.91 C ATOM 0 H ALA A 88 40.536 9.228 5.932 1.00 9.34 H new ATOM 0 HA ALA A 88 42.785 9.698 4.326 1.00 9.01 H new ATOM 0 HB1 ALA A 88 42.954 7.218 4.325 1.00 9.91 H new ATOM 0 HB2 ALA A 88 42.570 7.842 5.946 1.00 9.91 H new ATOM 0 HB3 ALA A 88 41.291 7.111 4.948 1.00 9.91 H new ATOM 1309 N PHE A 89 40.097 8.720 2.728 1.00 7.54 N ATOM 1310 CA PHE A 89 39.521 8.542 1.401 1.00 7.23 C ATOM 1311 C PHE A 89 39.594 9.841 0.605 1.00 8.19 C ATOM 1312 O PHE A 89 39.627 9.826 -0.626 1.00 8.53 O ATOM 1313 CB PHE A 89 38.062 8.097 1.520 1.00 7.14 C ATOM 1314 CG PHE A 89 37.487 7.889 0.141 1.00 5.05 C ATOM 1315 CD1 PHE A 89 37.406 6.598 -0.397 1.00 4.80 C ATOM 1316 CD2 PHE A 89 37.034 8.986 -0.602 1.00 5.56 C ATOM 1317 CE1 PHE A 89 36.873 6.405 -1.677 1.00 7.76 C ATOM 1318 CE2 PHE A 89 36.502 8.793 -1.882 1.00 2.16 C ATOM 1319 CZ PHE A 89 36.421 7.503 -2.420 1.00 6.19 C ATOM 0 H PHE A 89 39.423 8.681 3.493 1.00 7.54 H new ATOM 0 HA PHE A 89 40.094 7.776 0.878 1.00 7.23 H new ATOM 0 HB2 PHE A 89 37.998 7.174 2.096 1.00 7.14 H new ATOM 0 HB3 PHE A 89 37.484 8.849 2.057 1.00 7.14 H new ATOM 0 HD1 PHE A 89 37.755 5.752 0.176 1.00 4.80 H new ATOM 0 HD2 PHE A 89 37.095 9.981 -0.187 1.00 5.56 H new ATOM 0 HE1 PHE A 89 36.810 5.410 -2.092 1.00 7.76 H new ATOM 0 HE2 PHE A 89 36.154 9.640 -2.455 1.00 2.16 H new ATOM 0 HZ PHE A 89 36.010 7.355 -3.408 1.00 6.19 H new ATOM 1329 N ARG A 90 39.619 10.964 1.315 1.00 8.03 N ATOM 1330 CA ARG A 90 39.688 12.268 0.663 1.00 8.76 C ATOM 1331 C ARG A 90 41.104 12.547 0.172 1.00 7.43 C ATOM 1332 O ARG A 90 41.302 13.002 -0.955 1.00 6.92 O ATOM 1333 CB ARG A 90 39.259 13.363 1.641 1.00 8.74 C ATOM 1334 CG ARG A 90 37.782 13.696 1.420 1.00 13.55 C ATOM 1335 CD ARG A 90 36.964 12.404 1.404 1.00 14.45 C ATOM 1336 NE ARG A 90 35.684 12.609 2.072 1.00 17.08 N ATOM 1337 CZ ARG A 90 34.651 13.143 1.429 1.00 17.02 C ATOM 1338 NH1 ARG A 90 33.516 13.317 2.048 1.00 17.58 N ATOM 1339 NH2 ARG A 90 34.773 13.495 0.178 1.00 17.03 N ATOM 0 H ARG A 90 39.593 10.999 2.334 1.00 8.03 H new ATOM 0 HA ARG A 90 39.014 12.262 -0.194 1.00 8.76 H new ATOM 0 HB2 ARG A 90 39.418 13.031 2.667 1.00 8.74 H new ATOM 0 HB3 ARG A 90 39.869 14.254 1.496 1.00 8.74 H new ATOM 0 HG2 ARG A 90 37.425 14.355 2.211 1.00 13.55 H new ATOM 0 HG3 ARG A 90 37.656 14.230 0.478 1.00 13.55 H new ATOM 0 HD2 ARG A 90 36.798 12.083 0.376 1.00 14.45 H new ATOM 0 HD3 ARG A 90 37.518 11.608 1.901 1.00 14.45 H new ATOM 0 HE ARG A 90 35.580 12.338 3.050 1.00 17.08 H new ATOM 0 HH11 ARG A 90 33.421 13.043 3.026 1.00 17.58 H new ATOM 0 HH12 ARG A 90 32.723 13.727 1.554 1.00 17.58 H new ATOM 0 HH21 ARG A 90 35.661 13.360 -0.305 1.00 17.03 H new ATOM 0 HH22 ARG A 90 33.980 13.905 -0.316 1.00 17.03 H new ATOM 1353 N VAL A 91 42.086 12.275 1.025 1.00 7.00 N ATOM 1354 CA VAL A 91 43.481 12.505 0.666 1.00 6.43 C ATOM 1355 C VAL A 91 43.796 11.878 -0.688 1.00 6.80 C ATOM 1356 O VAL A 91 44.787 12.228 -1.329 1.00 5.87 O ATOM 1357 CB VAL A 91 44.399 11.907 1.733 1.00 6.46 C ATOM 1358 CG1 VAL A 91 45.859 12.131 1.335 1.00 7.40 C ATOM 1359 CG2 VAL A 91 44.128 12.587 3.077 1.00 7.82 C ATOM 0 H VAL A 91 41.944 11.898 1.962 1.00 7.00 H new ATOM 0 HA VAL A 91 43.648 13.580 0.603 1.00 6.43 H new ATOM 0 HB VAL A 91 44.206 10.838 1.820 1.00 6.46 H new ATOM 0 HG11 VAL A 91 46.513 11.705 2.096 1.00 7.40 H new ATOM 0 HG12 VAL A 91 46.053 11.648 0.377 1.00 7.40 H new ATOM 0 HG13 VAL A 91 46.052 13.200 1.248 1.00 7.40 H new ATOM 0 HG21 VAL A 91 44.782 12.162 3.838 1.00 7.82 H new ATOM 0 HG22 VAL A 91 44.321 13.656 2.989 1.00 7.82 H new ATOM 0 HG23 VAL A 91 43.088 12.428 3.362 1.00 7.82 H new ATOM 1369 N PHE A 92 42.945 10.952 -1.119 0.50 6.77 N ATOM 1370 CA PHE A 92 43.141 10.285 -2.401 0.50 7.12 C ATOM 1371 C PHE A 92 42.331 10.977 -3.494 0.50 7.91 C ATOM 1372 O PHE A 92 42.817 11.181 -4.606 0.50 9.11 O ATOM 1373 CB PHE A 92 42.716 8.819 -2.298 0.50 7.14 C ATOM 1374 CG PHE A 92 43.757 8.047 -1.522 0.50 4.87 C ATOM 1375 CD1 PHE A 92 45.034 7.856 -2.063 0.50 6.96 C ATOM 1376 CD2 PHE A 92 43.445 7.524 -0.262 0.50 4.32 C ATOM 1377 CE1 PHE A 92 45.998 7.140 -1.344 0.50 5.48 C ATOM 1378 CE2 PHE A 92 44.409 6.808 0.457 0.50 6.74 C ATOM 1379 CZ PHE A 92 45.686 6.617 -0.084 0.50 6.55 C ATOM 0 H PHE A 92 42.119 10.648 -0.604 0.50 6.77 H new ATOM 0 HA PHE A 92 44.199 10.338 -2.659 0.50 7.12 H new ATOM 0 HB2 PHE A 92 41.748 8.744 -1.803 0.50 7.14 H new ATOM 0 HB3 PHE A 92 42.599 8.392 -3.294 0.50 7.14 H new ATOM 0 HD1 PHE A 92 45.275 8.261 -3.035 0.50 6.96 H new ATOM 0 HD2 PHE A 92 42.460 7.673 0.156 0.50 4.32 H new ATOM 0 HE1 PHE A 92 46.983 6.991 -1.762 0.50 5.48 H new ATOM 0 HE2 PHE A 92 44.168 6.403 1.429 0.50 6.74 H new ATOM 0 HZ PHE A 92 46.431 6.066 0.471 0.50 6.55 H new ATOM 1389 N ASP A 93 41.093 11.334 -3.167 1.00 8.87 N ATOM 1390 CA ASP A 93 40.222 12.003 -4.128 1.00 8.42 C ATOM 1391 C ASP A 93 40.285 13.516 -3.944 1.00 8.51 C ATOM 1392 O ASP A 93 39.321 14.136 -3.498 1.00 8.68 O ATOM 1393 CB ASP A 93 38.780 11.524 -3.946 1.00 9.10 C ATOM 1394 CG ASP A 93 37.987 11.765 -5.226 1.00 10.79 C ATOM 1395 OD1 ASP A 93 38.596 11.785 -6.283 1.00 11.11 O ATOM 1396 OD2 ASP A 93 36.781 11.925 -5.130 1.00 7.32 O ATOM 0 H ASP A 93 40.673 11.173 -2.252 1.00 8.87 H new ATOM 0 HA ASP A 93 40.563 11.756 -5.134 1.00 8.42 H new ATOM 0 HB2 ASP A 93 38.769 10.463 -3.695 1.00 9.10 H new ATOM 0 HB3 ASP A 93 38.314 12.053 -3.114 1.00 9.10 H new ATOM 1401 N LYS A 94 41.429 14.101 -4.281 1.00 9.41 N ATOM 1402 CA LYS A 94 41.614 15.542 -4.143 1.00 9.18 C ATOM 1403 C LYS A 94 40.436 16.308 -4.742 1.00 9.05 C ATOM 1404 O LYS A 94 40.204 17.468 -4.400 1.00 7.14 O ATOM 1405 CB LYS A 94 42.907 15.969 -4.839 1.00 9.58 C ATOM 1406 CG LYS A 94 42.891 15.481 -6.289 1.00 10.67 C ATOM 1407 CD LYS A 94 43.466 16.567 -7.201 1.00 11.93 C ATOM 1408 CE LYS A 94 43.519 16.051 -8.640 1.00 14.25 C ATOM 1409 NZ LYS A 94 43.476 17.204 -9.583 1.00 14.57 N ATOM 0 H LYS A 94 42.239 13.603 -4.650 1.00 9.41 H new ATOM 0 HA LYS A 94 41.673 15.775 -3.080 1.00 9.18 H new ATOM 0 HB2 LYS A 94 43.007 17.054 -4.810 1.00 9.58 H new ATOM 0 HB3 LYS A 94 43.769 15.556 -4.314 1.00 9.58 H new ATOM 0 HG2 LYS A 94 43.476 14.566 -6.382 1.00 10.67 H new ATOM 0 HG3 LYS A 94 41.872 15.240 -6.591 1.00 10.67 H new ATOM 0 HD2 LYS A 94 42.850 17.465 -7.148 1.00 11.93 H new ATOM 0 HD3 LYS A 94 44.465 16.846 -6.867 1.00 11.93 H new ATOM 0 HE2 LYS A 94 44.430 15.473 -8.797 1.00 14.25 H new ATOM 0 HE3 LYS A 94 42.680 15.382 -8.829 1.00 14.25 H new ATOM 0 HZ1 LYS A 94 43.512 16.854 -10.562 1.00 14.57 H new ATOM 0 HZ2 LYS A 94 42.595 17.738 -9.439 1.00 14.57 H new ATOM 0 HZ3 LYS A 94 44.291 17.826 -9.408 1.00 14.57 H new ATOM 1423 N ASP A 95 39.698 15.661 -5.640 1.00 7.02 N ATOM 1424 CA ASP A 95 38.553 16.305 -6.276 1.00 7.13 C ATOM 1425 C ASP A 95 37.370 16.376 -5.315 1.00 6.43 C ATOM 1426 O ASP A 95 36.397 17.088 -5.564 1.00 4.43 O ATOM 1427 CB ASP A 95 38.147 15.527 -7.529 1.00 6.49 C ATOM 1428 CG ASP A 95 37.322 16.418 -8.451 1.00 8.86 C ATOM 1429 OD1 ASP A 95 37.199 16.079 -9.617 1.00 6.70 O ATOM 1430 OD2 ASP A 95 36.825 17.427 -7.978 1.00 10.20 O ATOM 0 H ASP A 95 39.870 14.702 -5.941 1.00 7.02 H new ATOM 0 HA ASP A 95 38.841 17.319 -6.553 1.00 7.13 H new ATOM 0 HB2 ASP A 95 39.036 15.173 -8.051 1.00 6.49 H new ATOM 0 HB3 ASP A 95 37.570 14.646 -7.249 1.00 6.49 H new ATOM 1435 N GLY A 96 37.461 15.632 -4.219 1.00 5.66 N ATOM 1436 CA GLY A 96 36.394 15.616 -3.226 1.00 5.97 C ATOM 1437 C GLY A 96 35.085 15.127 -3.838 1.00 6.08 C ATOM 1438 O GLY A 96 34.004 15.409 -3.322 1.00 6.24 O ATOM 0 H GLY A 96 38.258 15.035 -3.996 1.00 5.66 H new ATOM 0 HA2 GLY A 96 36.675 14.969 -2.395 1.00 5.97 H new ATOM 0 HA3 GLY A 96 36.257 16.617 -2.818 1.00 5.97 H new ATOM 1442 N ASN A 97 35.191 14.392 -4.941 1.00 6.39 N ATOM 1443 CA ASN A 97 34.008 13.868 -5.614 1.00 5.87 C ATOM 1444 C ASN A 97 33.540 12.580 -4.946 1.00 5.88 C ATOM 1445 O ASN A 97 32.581 11.949 -5.392 1.00 5.75 O ATOM 1446 CB ASN A 97 34.322 13.598 -7.087 1.00 5.90 C ATOM 1447 CG ASN A 97 34.595 14.911 -7.812 1.00 4.39 C ATOM 1448 OD1 ASN A 97 35.301 14.929 -8.820 1.00 7.56 O ATOM 1449 ND2 ASN A 97 34.076 16.018 -7.356 1.00 7.07 N ATOM 0 H ASN A 97 36.076 14.147 -5.385 1.00 6.39 H new ATOM 0 HA ASN A 97 33.213 14.610 -5.543 1.00 5.87 H new ATOM 0 HB2 ASN A 97 35.188 12.942 -7.168 1.00 5.90 H new ATOM 0 HB3 ASN A 97 33.485 13.081 -7.557 1.00 5.90 H new ATOM 0 HD21 ASN A 97 34.255 16.900 -7.835 1.00 7.07 H new ATOM 0 HD22 ASN A 97 33.491 16.001 -6.520 1.00 7.07 H new ATOM 1456 N GLY A 98 34.224 12.196 -3.873 1.00 6.14 N ATOM 1457 CA GLY A 98 33.871 10.981 -3.147 1.00 6.32 C ATOM 1458 C GLY A 98 34.220 9.739 -3.959 1.00 7.08 C ATOM 1459 O GLY A 98 33.929 8.615 -3.548 1.00 6.67 O ATOM 0 H GLY A 98 35.020 12.704 -3.489 1.00 6.14 H new ATOM 0 HA2 GLY A 98 34.398 10.957 -2.193 1.00 6.32 H new ATOM 0 HA3 GLY A 98 32.805 10.985 -2.921 1.00 6.32 H new ATOM 1463 N TYR A 99 34.846 9.947 -5.113 0.50 7.47 N ATOM 1464 CA TYR A 99 35.229 8.834 -5.975 0.50 7.60 C ATOM 1465 C TYR A 99 36.617 9.065 -6.565 0.50 7.45 C ATOM 1466 O TYR A 99 37.000 10.199 -6.849 0.50 7.71 O ATOM 1467 CB TYR A 99 34.211 8.673 -7.105 0.50 7.79 C ATOM 1468 CG TYR A 99 34.560 9.610 -8.237 0.50 7.27 C ATOM 1469 CD1 TYR A 99 35.648 9.325 -9.071 0.50 9.00 C ATOM 1470 CD2 TYR A 99 33.795 10.762 -8.453 0.50 6.58 C ATOM 1471 CE1 TYR A 99 35.971 10.193 -10.121 0.50 5.79 C ATOM 1472 CE2 TYR A 99 34.118 11.630 -9.503 0.50 6.90 C ATOM 1473 CZ TYR A 99 35.206 11.346 -10.337 0.50 6.97 C ATOM 1474 OH TYR A 99 35.525 12.201 -11.371 0.50 5.02 O ATOM 0 H TYR A 99 35.097 10.868 -5.471 0.50 7.47 H new ATOM 0 HA TYR A 99 35.250 7.925 -5.374 0.50 7.60 H new ATOM 0 HB2 TYR A 99 34.207 7.643 -7.460 0.50 7.79 H new ATOM 0 HB3 TYR A 99 33.207 8.888 -6.738 0.50 7.79 H new ATOM 0 HD1 TYR A 99 36.238 8.436 -8.904 0.50 9.00 H new ATOM 0 HD2 TYR A 99 32.956 10.981 -7.810 0.50 6.58 H new ATOM 0 HE1 TYR A 99 36.810 9.973 -10.764 0.50 5.79 H new ATOM 0 HE2 TYR A 99 33.528 12.519 -9.670 0.50 6.90 H new ATOM 0 HH TYR A 99 34.894 12.951 -11.382 0.50 5.02 H new ATOM 1484 N ILE A 100 37.364 7.981 -6.747 1.00 6.94 N ATOM 1485 CA ILE A 100 38.708 8.075 -7.306 1.00 6.30 C ATOM 1486 C ILE A 100 38.821 7.231 -8.571 1.00 6.51 C ATOM 1487 O ILE A 100 38.542 6.032 -8.556 1.00 6.57 O ATOM 1488 CB ILE A 100 39.735 7.597 -6.278 1.00 5.54 C ATOM 1489 CG1 ILE A 100 39.532 8.356 -4.965 1.00 9.03 C ATOM 1490 CG2 ILE A 100 41.146 7.861 -6.805 1.00 4.76 C ATOM 1491 CD1 ILE A 100 39.976 7.478 -3.793 1.00 9.29 C ATOM 0 H ILE A 100 37.064 7.033 -6.517 1.00 6.94 H new ATOM 0 HA ILE A 100 38.905 9.117 -7.559 1.00 6.30 H new ATOM 0 HB ILE A 100 39.606 6.529 -6.105 1.00 5.54 H new ATOM 0 HG12 ILE A 100 40.105 9.283 -4.976 1.00 9.03 H new ATOM 0 HG13 ILE A 100 38.484 8.631 -4.850 1.00 9.03 H new ATOM 0 HG21 ILE A 100 41.878 7.520 -6.072 1.00 4.76 H new ATOM 0 HG22 ILE A 100 41.292 7.322 -7.741 1.00 4.76 H new ATOM 0 HG23 ILE A 100 41.276 8.929 -6.978 1.00 4.76 H new ATOM 0 HD11 ILE A 100 39.831 8.019 -2.858 1.00 9.29 H new ATOM 0 HD12 ILE A 100 39.383 6.563 -3.779 1.00 9.29 H new ATOM 0 HD13 ILE A 100 41.030 7.225 -3.907 1.00 9.29 H new ATOM 1503 N SER A 101 39.232 7.864 -9.665 1.00 6.74 N ATOM 1504 CA SER A 101 39.376 7.159 -10.933 1.00 4.65 C ATOM 1505 C SER A 101 40.792 6.612 -11.086 1.00 3.97 C ATOM 1506 O SER A 101 41.745 7.167 -10.538 1.00 7.02 O ATOM 1507 CB SER A 101 39.066 8.104 -12.094 1.00 3.29 C ATOM 1508 OG SER A 101 38.905 7.346 -13.286 1.00 2.08 O ATOM 0 H SER A 101 39.469 8.855 -9.699 1.00 6.74 H new ATOM 0 HA SER A 101 38.673 6.326 -10.944 1.00 4.65 H new ATOM 0 HB2 SER A 101 38.159 8.671 -11.884 1.00 3.29 H new ATOM 0 HB3 SER A 101 39.873 8.827 -12.215 1.00 3.29 H new ATOM 0 HG SER A 101 37.989 7.450 -13.619 1.00 2.08 H new ATOM 1514 N ALA A 102 40.920 5.519 -11.831 1.00 4.02 N ATOM 1515 CA ALA A 102 42.224 4.902 -12.048 1.00 4.82 C ATOM 1516 C ALA A 102 43.283 5.966 -12.318 1.00 5.07 C ATOM 1517 O ALA A 102 44.480 5.714 -12.177 1.00 6.41 O ATOM 1518 CB ALA A 102 42.154 3.937 -13.233 1.00 4.55 C ATOM 0 H ALA A 102 40.143 5.045 -12.292 1.00 4.02 H new ATOM 0 HA ALA A 102 42.499 4.353 -11.148 1.00 4.82 H new ATOM 0 HB1 ALA A 102 43.131 3.480 -13.389 1.00 4.55 H new ATOM 0 HB2 ALA A 102 41.419 3.159 -13.026 1.00 4.55 H new ATOM 0 HB3 ALA A 102 41.862 4.483 -14.130 1.00 4.55 H new ATOM 1524 N ALA A 103 42.835 7.156 -12.705 1.00 4.46 N ATOM 1525 CA ALA A 103 43.755 8.251 -12.991 1.00 3.90 C ATOM 1526 C ALA A 103 44.257 8.881 -11.696 1.00 3.42 C ATOM 1527 O ALA A 103 45.461 8.939 -11.449 1.00 5.01 O ATOM 1528 CB ALA A 103 43.054 9.313 -13.840 1.00 4.16 C ATOM 0 H ALA A 103 41.849 7.386 -12.827 1.00 4.46 H new ATOM 0 HA ALA A 103 44.607 7.851 -13.541 1.00 3.90 H new ATOM 0 HB1 ALA A 103 43.747 10.127 -14.049 1.00 4.16 H new ATOM 0 HB2 ALA A 103 42.723 8.868 -14.778 1.00 4.16 H new ATOM 0 HB3 ALA A 103 42.192 9.701 -13.298 1.00 4.16 H new ATOM 1534 N GLU A 104 43.325 9.354 -10.874 1.00 2.38 N ATOM 1535 CA GLU A 104 43.685 9.979 -9.607 1.00 2.94 C ATOM 1536 C GLU A 104 44.526 9.030 -8.759 1.00 3.92 C ATOM 1537 O GLU A 104 45.549 9.425 -8.199 1.00 4.76 O ATOM 1538 CB GLU A 104 42.419 10.366 -8.839 1.00 4.89 C ATOM 1539 CG GLU A 104 42.027 11.802 -9.192 1.00 2.54 C ATOM 1540 CD GLU A 104 40.575 12.057 -8.803 1.00 5.28 C ATOM 1541 OE1 GLU A 104 39.960 11.152 -8.263 1.00 6.84 O ATOM 1542 OE2 GLU A 104 40.100 13.153 -9.050 1.00 5.84 O ATOM 0 H GLU A 104 42.323 9.317 -11.061 1.00 2.38 H new ATOM 0 HA GLU A 104 44.271 10.873 -9.818 1.00 2.94 H new ATOM 0 HB2 GLU A 104 41.606 9.684 -9.089 1.00 4.89 H new ATOM 0 HB3 GLU A 104 42.590 10.278 -7.766 1.00 4.89 H new ATOM 0 HG2 GLU A 104 42.680 12.504 -8.673 1.00 2.54 H new ATOM 0 HG3 GLU A 104 42.161 11.972 -10.260 1.00 2.54 H new ATOM 1549 N LEU A 105 44.089 7.779 -8.669 1.00 4.80 N ATOM 1550 CA LEU A 105 44.811 6.782 -7.886 1.00 3.86 C ATOM 1551 C LEU A 105 46.242 6.635 -8.394 1.00 4.38 C ATOM 1552 O LEU A 105 47.192 6.641 -7.612 1.00 3.99 O ATOM 1553 CB LEU A 105 44.096 5.432 -7.971 1.00 3.53 C ATOM 1554 CG LEU A 105 44.534 4.548 -6.803 1.00 4.12 C ATOM 1555 CD1 LEU A 105 43.394 4.438 -5.790 1.00 4.73 C ATOM 1556 CD2 LEU A 105 44.887 3.153 -7.325 1.00 4.99 C ATOM 0 H LEU A 105 43.245 7.432 -9.125 1.00 4.80 H new ATOM 0 HA LEU A 105 44.838 7.113 -6.848 1.00 3.86 H new ATOM 0 HB2 LEU A 105 43.016 5.578 -7.945 1.00 3.53 H new ATOM 0 HB3 LEU A 105 44.329 4.944 -8.917 1.00 3.53 H new ATOM 0 HG LEU A 105 45.407 4.989 -6.321 1.00 4.12 H new ATOM 0 HD11 LEU A 105 43.707 3.808 -4.957 1.00 4.73 H new ATOM 0 HD12 LEU A 105 43.141 5.431 -5.418 1.00 4.73 H new ATOM 0 HD13 LEU A 105 42.521 3.997 -6.271 1.00 4.73 H new ATOM 0 HD21 LEU A 105 45.200 2.522 -6.493 1.00 4.99 H new ATOM 0 HD22 LEU A 105 44.014 2.713 -7.806 1.00 4.99 H new ATOM 0 HD23 LEU A 105 45.700 3.230 -8.048 1.00 4.99 H new ATOM 1568 N ARG A 106 46.387 6.502 -9.709 1.00 3.11 N ATOM 1569 CA ARG A 106 47.708 6.353 -10.310 1.00 5.25 C ATOM 1570 C ARG A 106 48.496 7.654 -10.197 1.00 4.62 C ATOM 1571 O ARG A 106 49.726 7.652 -10.247 1.00 4.29 O ATOM 1572 CB ARG A 106 47.570 5.963 -11.782 1.00 5.02 C ATOM 1573 CG ARG A 106 48.908 6.172 -12.494 1.00 5.93 C ATOM 1574 CD ARG A 106 48.825 5.607 -13.913 1.00 8.89 C ATOM 1575 NE ARG A 106 48.301 6.615 -14.828 1.00 11.71 N ATOM 1576 CZ ARG A 106 48.340 6.436 -16.144 1.00 13.93 C ATOM 1577 NH1 ARG A 106 47.866 7.353 -16.942 1.00 15.02 N ATOM 1578 NH2 ARG A 106 48.854 5.342 -16.638 1.00 15.24 N ATOM 0 H ARG A 106 45.613 6.494 -10.374 1.00 3.11 H new ATOM 0 HA ARG A 106 48.245 5.569 -9.776 1.00 5.25 H new ATOM 0 HB2 ARG A 106 47.261 4.921 -11.866 1.00 5.02 H new ATOM 0 HB3 ARG A 106 46.795 6.565 -12.257 1.00 5.02 H new ATOM 0 HG2 ARG A 106 49.152 7.234 -12.528 1.00 5.93 H new ATOM 0 HG3 ARG A 106 49.707 5.679 -11.941 1.00 5.93 H new ATOM 0 HD2 ARG A 106 49.813 5.285 -14.242 1.00 8.89 H new ATOM 0 HD3 ARG A 106 48.183 4.726 -13.924 1.00 8.89 H new ATOM 0 HE ARG A 106 47.897 7.473 -14.451 1.00 11.71 H new ATOM 0 HH11 ARG A 106 47.465 8.208 -16.556 1.00 15.02 H new ATOM 0 HH12 ARG A 106 47.896 7.215 -17.952 1.00 15.02 H new ATOM 0 HH21 ARG A 106 49.225 4.626 -16.014 1.00 15.24 H new ATOM 0 HH22 ARG A 106 48.884 5.204 -17.648 1.00 15.24 H new ATOM 1592 N HIS A 107 47.780 8.763 -10.044 1.00 5.92 N ATOM 1593 CA HIS A 107 48.424 10.066 -9.924 1.00 8.12 C ATOM 1594 C HIS A 107 48.973 10.264 -8.515 1.00 8.85 C ATOM 1595 O HIS A 107 50.095 10.738 -8.337 1.00 9.30 O ATOM 1596 CB HIS A 107 47.418 11.176 -10.242 1.00 10.37 C ATOM 1597 CG HIS A 107 47.692 11.726 -11.616 1.00 10.94 C ATOM 1598 ND1 HIS A 107 47.541 10.962 -12.762 1.00 14.82 N ATOM 1599 CD2 HIS A 107 48.106 12.964 -12.042 1.00 14.65 C ATOM 1600 CE1 HIS A 107 47.860 11.739 -13.813 1.00 15.69 C ATOM 1601 NE2 HIS A 107 48.211 12.970 -13.430 1.00 15.65 N ATOM 0 H HIS A 107 46.761 8.786 -10.000 1.00 5.92 H new ATOM 0 HA HIS A 107 49.250 10.109 -10.633 1.00 8.12 H new ATOM 0 HB2 HIS A 107 46.402 10.785 -10.192 1.00 10.37 H new ATOM 0 HB3 HIS A 107 47.491 11.971 -9.500 1.00 10.37 H new ATOM 0 HD2 HIS A 107 48.318 13.805 -11.398 1.00 14.65 H new ATOM 0 HE1 HIS A 107 47.835 11.408 -14.841 1.00 15.69 H new ATOM 0 HE2 HIS A 107 48.495 13.747 -14.027 1.00 15.65 H new ATOM 1610 N VAL A 108 48.175 9.898 -7.517 1.00 9.44 N ATOM 1611 CA VAL A 108 48.592 10.041 -6.127 1.00 9.72 C ATOM 1612 C VAL A 108 49.506 8.889 -5.721 1.00 9.70 C ATOM 1613 O VAL A 108 50.536 9.097 -5.080 1.00 10.80 O ATOM 1614 CB VAL A 108 47.365 10.067 -5.214 1.00 9.77 C ATOM 1615 CG1 VAL A 108 47.814 9.999 -3.753 1.00 8.84 C ATOM 1616 CG2 VAL A 108 46.585 11.363 -5.447 1.00 12.28 C ATOM 0 H VAL A 108 47.243 9.503 -7.643 1.00 9.44 H new ATOM 0 HA VAL A 108 49.140 10.978 -6.026 1.00 9.72 H new ATOM 0 HB VAL A 108 46.727 9.212 -5.438 1.00 9.77 H new ATOM 0 HG11 VAL A 108 46.940 10.018 -3.102 1.00 8.84 H new ATOM 0 HG12 VAL A 108 48.371 9.077 -3.586 1.00 8.84 H new ATOM 0 HG13 VAL A 108 48.452 10.854 -3.528 1.00 8.84 H new ATOM 0 HG21 VAL A 108 45.710 11.383 -4.797 1.00 12.28 H new ATOM 0 HG22 VAL A 108 47.224 12.217 -5.222 1.00 12.28 H new ATOM 0 HG23 VAL A 108 46.265 11.413 -6.488 1.00 12.28 H new ATOM 1626 N MET A 109 49.121 7.673 -6.097 0.50 9.38 N ATOM 1627 CA MET A 109 49.913 6.495 -5.765 0.50 9.31 C ATOM 1628 C MET A 109 51.256 6.530 -6.487 0.50 9.50 C ATOM 1629 O MET A 109 52.168 5.771 -6.157 0.50 9.53 O ATOM 1630 CB MET A 109 49.152 5.227 -6.159 0.50 8.72 C ATOM 1631 CG MET A 109 49.784 4.017 -5.468 0.50 8.81 C ATOM 1632 SD MET A 109 48.851 3.624 -3.968 0.50 6.87 S ATOM 1633 CE MET A 109 49.648 2.038 -3.614 0.50 6.63 C ATOM 0 H MET A 109 48.272 7.479 -6.628 0.50 9.38 H new ATOM 0 HA MET A 109 50.092 6.492 -4.690 0.50 9.31 H new ATOM 0 HB2 MET A 109 48.104 5.316 -5.874 0.50 8.72 H new ATOM 0 HB3 MET A 109 49.178 5.096 -7.241 0.50 8.72 H new ATOM 0 HG2 MET A 109 49.787 3.160 -6.142 0.50 8.81 H new ATOM 0 HG3 MET A 109 50.823 4.229 -5.218 0.50 8.81 H new ATOM 0 HE1 MET A 109 49.217 1.608 -2.710 0.50 6.63 H new ATOM 0 HE2 MET A 109 49.490 1.357 -4.450 0.50 6.63 H new ATOM 0 HE3 MET A 109 50.717 2.193 -3.468 0.50 6.63 H new ATOM 1643 N THR A 110 51.371 7.414 -7.472 1.00 10.17 N ATOM 1644 CA THR A 110 52.609 7.538 -8.233 1.00 11.15 C ATOM 1645 C THR A 110 53.619 8.395 -7.477 1.00 11.87 C ATOM 1646 O THR A 110 54.815 8.102 -7.471 1.00 11.30 O ATOM 1647 CB THR A 110 52.323 8.167 -9.599 1.00 11.33 C ATOM 1648 OG1 THR A 110 51.879 7.160 -10.497 1.00 9.45 O ATOM 1649 CG2 THR A 110 53.597 8.814 -10.143 1.00 11.67 C ATOM 0 H THR A 110 50.628 8.051 -7.761 1.00 10.17 H new ATOM 0 HA THR A 110 53.028 6.542 -8.373 1.00 11.15 H new ATOM 0 HB THR A 110 51.550 8.928 -9.494 1.00 11.33 H new ATOM 0 HG1 THR A 110 50.917 7.017 -10.378 1.00 9.45 H new ATOM 0 HG21 THR A 110 53.391 9.261 -11.116 1.00 11.67 H new ATOM 0 HG22 THR A 110 53.936 9.587 -9.453 1.00 11.67 H new ATOM 0 HG23 THR A 110 54.373 8.056 -10.249 1.00 11.67 H new ATOM 1657 N ASN A 111 53.131 9.455 -6.840 1.00 13.42 N ATOM 1658 CA ASN A 111 54.002 10.347 -6.084 1.00 14.75 C ATOM 1659 C ASN A 111 54.472 9.673 -4.799 1.00 15.38 C ATOM 1660 O ASN A 111 55.395 10.150 -4.138 1.00 14.61 O ATOM 1661 CB ASN A 111 53.257 11.638 -5.742 1.00 15.43 C ATOM 1662 CG ASN A 111 53.638 12.737 -6.729 1.00 16.39 C ATOM 1663 OD1 ASN A 111 52.766 13.427 -7.257 1.00 19.90 O ATOM 1664 ND2 ASN A 111 54.895 12.941 -7.011 1.00 21.65 N ATOM 0 H ASN A 111 52.145 9.716 -6.832 1.00 13.42 H new ATOM 0 HA ASN A 111 54.872 10.582 -6.698 1.00 14.75 H new ATOM 0 HB2 ASN A 111 52.181 11.466 -5.774 1.00 15.43 H new ATOM 0 HB3 ASN A 111 53.500 11.950 -4.726 1.00 15.43 H new ATOM 0 HD21 ASN A 111 55.157 13.674 -7.670 1.00 21.65 H new ATOM 0 HD22 ASN A 111 55.616 12.368 -6.572 1.00 21.65 H new ATOM 1671 N LEU A 112 53.832 8.561 -4.451 1.00 15.51 N ATOM 1672 CA LEU A 112 54.193 7.830 -3.243 1.00 17.09 C ATOM 1673 C LEU A 112 55.697 7.583 -3.195 1.00 17.64 C ATOM 1674 O LEU A 112 56.280 7.452 -2.118 1.00 19.20 O ATOM 1675 CB LEU A 112 53.452 6.491 -3.202 1.00 17.55 C ATOM 1676 CG LEU A 112 52.291 6.579 -2.210 1.00 18.70 C ATOM 1677 CD1 LEU A 112 52.839 6.604 -0.782 1.00 19.41 C ATOM 1678 CD2 LEU A 112 51.495 7.860 -2.472 1.00 19.55 C ATOM 0 H LEU A 112 53.066 8.149 -4.984 1.00 15.51 H new ATOM 0 HA LEU A 112 53.908 8.430 -2.379 1.00 17.09 H new ATOM 0 HB2 LEU A 112 53.078 6.240 -4.195 1.00 17.55 H new ATOM 0 HB3 LEU A 112 54.135 5.694 -2.908 1.00 17.55 H new ATOM 0 HG LEU A 112 51.641 5.713 -2.334 1.00 18.70 H new ATOM 0 HD11 LEU A 112 52.011 6.667 -0.076 1.00 19.41 H new ATOM 0 HD12 LEU A 112 53.408 5.693 -0.595 1.00 19.41 H new ATOM 0 HD13 LEU A 112 53.489 7.470 -0.657 1.00 19.41 H new ATOM 0 HD21 LEU A 112 50.667 7.925 -1.766 1.00 19.55 H new ATOM 0 HD22 LEU A 112 52.146 8.725 -2.348 1.00 19.55 H new ATOM 0 HD23 LEU A 112 51.104 7.844 -3.489 1.00 19.55 H new ATOM 1690 N GLY A 113 56.319 7.518 -4.367 1.00 18.31 N ATOM 1691 CA GLY A 113 57.756 7.283 -4.447 1.00 18.73 C ATOM 1692 C GLY A 113 58.051 5.950 -5.125 1.00 19.38 C ATOM 1693 O GLY A 113 59.210 5.576 -5.304 1.00 19.66 O ATOM 0 H GLY A 113 55.855 7.624 -5.269 1.00 18.31 H new ATOM 0 HA2 GLY A 113 58.231 8.092 -5.003 1.00 18.73 H new ATOM 0 HA3 GLY A 113 58.186 7.290 -3.445 1.00 18.73 H new ATOM 1697 N GLU A 114 56.994 5.241 -5.506 1.00 20.03 N ATOM 1698 CA GLU A 114 57.148 3.952 -6.171 1.00 20.93 C ATOM 1699 C GLU A 114 56.415 3.953 -7.508 1.00 21.67 C ATOM 1700 O GLU A 114 55.238 4.308 -7.580 1.00 21.82 O ATOM 1701 CB GLU A 114 56.594 2.836 -5.283 1.00 21.58 C ATOM 1702 CG GLU A 114 57.545 2.598 -4.109 1.00 22.38 C ATOM 1703 CD GLU A 114 58.668 1.657 -4.530 1.00 22.95 C ATOM 1704 OE1 GLU A 114 58.780 1.393 -5.716 1.00 21.15 O ATOM 1705 OE2 GLU A 114 59.400 1.213 -3.660 1.00 25.55 O ATOM 0 H GLU A 114 56.027 5.534 -5.367 1.00 20.03 H new ATOM 0 HA GLU A 114 58.209 3.779 -6.349 1.00 20.93 H new ATOM 0 HB2 GLU A 114 55.605 3.108 -4.914 1.00 21.58 H new ATOM 0 HB3 GLU A 114 56.478 1.920 -5.862 1.00 21.58 H new ATOM 0 HG2 GLU A 114 57.962 3.546 -3.770 1.00 22.38 H new ATOM 0 HG3 GLU A 114 56.998 2.172 -3.268 1.00 22.38 H new ATOM 1712 N LYS A 115 57.115 3.558 -8.566 1.00 21.94 N ATOM 1713 CA LYS A 115 56.515 3.521 -9.895 1.00 21.97 C ATOM 1714 C LYS A 115 55.720 2.234 -10.091 1.00 21.51 C ATOM 1715 O LYS A 115 56.282 1.139 -10.078 1.00 21.04 O ATOM 1716 CB LYS A 115 57.606 3.617 -10.963 1.00 22.09 C ATOM 1717 CG LYS A 115 56.988 4.078 -12.285 1.00 22.07 C ATOM 1718 CD LYS A 115 58.095 4.287 -13.320 1.00 22.17 C ATOM 1719 CE LYS A 115 57.473 4.439 -14.710 1.00 22.19 C ATOM 1720 NZ LYS A 115 56.677 5.698 -14.763 1.00 23.26 N ATOM 0 H LYS A 115 58.090 3.261 -8.531 1.00 21.94 H new ATOM 0 HA LYS A 115 55.837 4.370 -9.990 1.00 21.97 H new ATOM 0 HB2 LYS A 115 58.379 4.318 -10.647 1.00 22.09 H new ATOM 0 HB3 LYS A 115 58.088 2.648 -11.093 1.00 22.09 H new ATOM 0 HG2 LYS A 115 56.275 3.336 -12.644 1.00 22.07 H new ATOM 0 HG3 LYS A 115 56.435 5.005 -12.136 1.00 22.07 H new ATOM 0 HD2 LYS A 115 58.677 5.175 -13.071 1.00 22.17 H new ATOM 0 HD3 LYS A 115 58.783 3.441 -13.308 1.00 22.17 H new ATOM 0 HE2 LYS A 115 58.254 4.458 -15.470 1.00 22.19 H new ATOM 0 HE3 LYS A 115 56.835 3.583 -14.930 1.00 22.19 H new ATOM 0 HZ1 LYS A 115 56.396 5.890 -15.746 1.00 23.26 H new ATOM 0 HZ2 LYS A 115 55.827 5.596 -14.173 1.00 23.26 H new ATOM 0 HZ3 LYS A 115 57.253 6.488 -14.407 1.00 23.26 H new ATOM 1734 N LEU A 116 54.411 2.375 -10.272 1.00 20.82 N ATOM 1735 CA LEU A 116 53.548 1.216 -10.470 1.00 20.59 C ATOM 1736 C LEU A 116 53.178 1.070 -11.942 1.00 20.06 C ATOM 1737 O LEU A 116 53.254 2.029 -12.710 1.00 20.89 O ATOM 1738 CB LEU A 116 52.275 1.363 -9.634 1.00 21.31 C ATOM 1739 CG LEU A 116 52.001 2.846 -9.380 1.00 21.00 C ATOM 1740 CD1 LEU A 116 50.525 3.039 -9.026 1.00 23.07 C ATOM 1741 CD2 LEU A 116 52.870 3.331 -8.218 1.00 20.55 C ATOM 0 H LEU A 116 53.927 3.273 -10.286 1.00 20.82 H new ATOM 0 HA LEU A 116 54.089 0.325 -10.152 1.00 20.59 H new ATOM 0 HB2 LEU A 116 51.431 0.910 -10.154 1.00 21.31 H new ATOM 0 HB3 LEU A 116 52.386 0.835 -8.687 1.00 21.31 H new ATOM 0 HG LEU A 116 52.237 3.419 -10.277 1.00 21.00 H new ATOM 0 HD11 LEU A 116 50.329 4.096 -8.845 1.00 23.07 H new ATOM 0 HD12 LEU A 116 49.904 2.691 -9.852 1.00 23.07 H new ATOM 0 HD13 LEU A 116 50.288 2.467 -8.129 1.00 23.07 H new ATOM 0 HD21 LEU A 116 52.676 4.388 -8.035 1.00 20.55 H new ATOM 0 HD22 LEU A 116 52.632 2.758 -7.322 1.00 20.55 H new ATOM 0 HD23 LEU A 116 53.922 3.193 -8.468 1.00 20.55 H new ATOM 1753 N THR A 117 52.776 -0.137 -12.329 1.00 19.20 N ATOM 1754 CA THR A 117 52.396 -0.397 -13.712 1.00 18.69 C ATOM 1755 C THR A 117 50.933 -0.033 -13.943 1.00 18.35 C ATOM 1756 O THR A 117 50.109 -0.128 -13.033 1.00 17.96 O ATOM 1757 CB THR A 117 52.615 -1.874 -14.047 1.00 18.94 C ATOM 1758 OG1 THR A 117 51.554 -2.333 -14.872 1.00 18.27 O ATOM 1759 CG2 THR A 117 52.652 -2.692 -12.756 1.00 19.41 C ATOM 0 H THR A 117 52.705 -0.944 -11.709 1.00 19.20 H new ATOM 0 HA THR A 117 53.019 0.218 -14.361 1.00 18.69 H new ATOM 0 HB THR A 117 53.562 -1.991 -14.574 1.00 18.94 H new ATOM 0 HG1 THR A 117 51.694 -3.278 -15.089 1.00 18.27 H new ATOM 0 HG21 THR A 117 52.808 -3.744 -12.996 1.00 19.41 H new ATOM 0 HG22 THR A 117 53.468 -2.339 -12.125 1.00 19.41 H new ATOM 0 HG23 THR A 117 51.707 -2.577 -12.225 1.00 19.41 H new ATOM 1767 N ASP A 118 50.617 0.384 -15.165 1.00 17.78 N ATOM 1768 CA ASP A 118 49.249 0.760 -15.503 1.00 17.28 C ATOM 1769 C ASP A 118 48.381 -0.482 -15.681 1.00 16.94 C ATOM 1770 O ASP A 118 47.165 -0.433 -15.495 1.00 16.90 O ATOM 1771 CB ASP A 118 49.237 1.582 -16.793 1.00 17.45 C ATOM 1772 CG ASP A 118 50.026 2.872 -16.596 1.00 17.24 C ATOM 1773 OD1 ASP A 118 50.319 3.521 -17.587 1.00 16.95 O ATOM 1774 OD2 ASP A 118 50.325 3.193 -15.458 1.00 18.08 O ATOM 0 H ASP A 118 51.284 0.470 -15.932 1.00 17.78 H new ATOM 0 HA ASP A 118 48.844 1.359 -14.687 1.00 17.28 H new ATOM 0 HB2 ASP A 118 49.670 1.002 -17.608 1.00 17.45 H new ATOM 0 HB3 ASP A 118 48.210 1.813 -17.077 1.00 17.45 H new ATOM 1779 N GLU A 119 49.014 -1.593 -16.041 1.00 16.47 N ATOM 1780 CA GLU A 119 48.289 -2.843 -16.242 1.00 16.08 C ATOM 1781 C GLU A 119 47.807 -3.402 -14.907 1.00 15.00 C ATOM 1782 O GLU A 119 46.816 -4.130 -14.850 1.00 14.51 O ATOM 1783 CB GLU A 119 49.194 -3.867 -16.929 1.00 16.34 C ATOM 1784 CG GLU A 119 50.036 -3.168 -17.998 1.00 17.65 C ATOM 1785 CD GLU A 119 49.186 -2.149 -18.748 1.00 18.58 C ATOM 1786 OE1 GLU A 119 49.502 -0.973 -18.672 1.00 18.43 O ATOM 1787 OE2 GLU A 119 48.231 -2.559 -19.387 1.00 20.16 O ATOM 0 H GLU A 119 50.020 -1.654 -16.199 1.00 16.47 H new ATOM 0 HA GLU A 119 47.424 -2.642 -16.874 1.00 16.08 H new ATOM 0 HB2 GLU A 119 49.843 -4.345 -16.195 1.00 16.34 H new ATOM 0 HB3 GLU A 119 48.592 -4.654 -17.383 1.00 16.34 H new ATOM 0 HG2 GLU A 119 50.888 -2.672 -17.534 1.00 17.65 H new ATOM 0 HG3 GLU A 119 50.436 -3.904 -18.696 1.00 17.65 H new ATOM 1794 N GLU A 120 48.514 -3.056 -13.836 1.00 14.19 N ATOM 1795 CA GLU A 120 48.149 -3.530 -12.506 1.00 13.46 C ATOM 1796 C GLU A 120 47.092 -2.622 -11.886 1.00 13.34 C ATOM 1797 O GLU A 120 46.102 -3.096 -11.329 1.00 13.03 O ATOM 1798 CB GLU A 120 49.386 -3.565 -11.607 1.00 13.02 C ATOM 1799 CG GLU A 120 49.153 -4.547 -10.456 1.00 11.76 C ATOM 1800 CD GLU A 120 50.263 -4.408 -9.420 1.00 11.68 C ATOM 1801 OE1 GLU A 120 51.216 -3.696 -9.694 1.00 7.04 O ATOM 1802 OE2 GLU A 120 50.144 -5.014 -8.368 1.00 10.77 O ATOM 0 H GLU A 120 49.337 -2.454 -13.862 1.00 14.19 H new ATOM 0 HA GLU A 120 47.739 -4.536 -12.598 1.00 13.46 H new ATOM 0 HB2 GLU A 120 50.260 -3.866 -12.185 1.00 13.02 H new ATOM 0 HB3 GLU A 120 49.591 -2.569 -11.214 1.00 13.02 H new ATOM 0 HG2 GLU A 120 48.185 -4.354 -9.993 1.00 11.76 H new ATOM 0 HG3 GLU A 120 49.126 -5.568 -10.838 1.00 11.76 H new ATOM 1809 N VAL A 121 47.309 -1.315 -11.985 1.00 13.10 N ATOM 1810 CA VAL A 121 46.368 -0.349 -11.430 1.00 12.97 C ATOM 1811 C VAL A 121 44.964 -0.596 -11.972 1.00 12.84 C ATOM 1812 O VAL A 121 43.984 -0.548 -11.229 1.00 13.10 O ATOM 1813 CB VAL A 121 46.810 1.072 -11.781 1.00 13.08 C ATOM 1814 CG1 VAL A 121 45.776 2.072 -11.261 1.00 12.21 C ATOM 1815 CG2 VAL A 121 48.166 1.359 -11.132 1.00 14.97 C ATOM 0 H VAL A 121 48.123 -0.902 -12.441 1.00 13.10 H new ATOM 0 HA VAL A 121 46.353 -0.467 -10.346 1.00 12.97 H new ATOM 0 HB VAL A 121 46.896 1.168 -12.863 1.00 13.08 H new ATOM 0 HG11 VAL A 121 46.091 3.085 -11.511 1.00 12.21 H new ATOM 0 HG12 VAL A 121 44.809 1.869 -11.722 1.00 12.21 H new ATOM 0 HG13 VAL A 121 45.689 1.976 -10.179 1.00 12.21 H new ATOM 0 HG21 VAL A 121 48.482 2.372 -11.382 1.00 14.97 H new ATOM 0 HG22 VAL A 121 48.079 1.262 -10.050 1.00 14.97 H new ATOM 0 HG23 VAL A 121 48.904 0.647 -11.502 1.00 14.97 H new ATOM 1825 N ASP A 122 44.875 -0.860 -13.272 1.00 13.33 N ATOM 1826 CA ASP A 122 43.585 -1.113 -13.903 1.00 13.39 C ATOM 1827 C ASP A 122 43.094 -2.519 -13.572 1.00 12.24 C ATOM 1828 O ASP A 122 41.924 -2.716 -13.243 1.00 11.31 O ATOM 1829 CB ASP A 122 43.706 -0.957 -15.420 1.00 14.42 C ATOM 1830 CG ASP A 122 42.503 -1.592 -16.107 1.00 16.19 C ATOM 1831 OD1 ASP A 122 41.631 -0.854 -16.534 1.00 20.12 O ATOM 1832 OD2 ASP A 122 42.470 -2.809 -16.196 1.00 19.51 O ATOM 0 H ASP A 122 45.674 -0.904 -13.904 1.00 13.33 H new ATOM 0 HA ASP A 122 42.866 -0.389 -13.520 1.00 13.39 H new ATOM 0 HB2 ASP A 122 43.769 0.099 -15.681 1.00 14.42 H new ATOM 0 HB3 ASP A 122 44.625 -1.427 -15.770 1.00 14.42 H new ATOM 1837 N GLU A 123 43.994 -3.492 -13.661 1.00 11.13 N ATOM 1838 CA GLU A 123 43.641 -4.876 -13.369 1.00 10.29 C ATOM 1839 C GLU A 123 43.083 -4.999 -11.954 1.00 8.90 C ATOM 1840 O GLU A 123 42.048 -5.629 -11.737 1.00 7.96 O ATOM 1841 CB GLU A 123 44.872 -5.772 -13.514 1.00 10.26 C ATOM 1842 CG GLU A 123 44.622 -7.104 -12.805 1.00 12.28 C ATOM 1843 CD GLU A 123 43.241 -7.637 -13.170 1.00 13.69 C ATOM 1844 OE1 GLU A 123 43.007 -7.865 -14.345 1.00 14.38 O ATOM 1845 OE2 GLU A 123 42.437 -7.810 -12.268 1.00 15.72 O ATOM 0 H GLU A 123 44.967 -3.350 -13.931 1.00 11.13 H new ATOM 0 HA GLU A 123 42.877 -5.193 -14.078 1.00 10.29 H new ATOM 0 HB2 GLU A 123 45.087 -5.944 -14.569 1.00 10.26 H new ATOM 0 HB3 GLU A 123 45.746 -5.279 -13.087 1.00 10.26 H new ATOM 0 HG2 GLU A 123 45.387 -7.826 -13.090 1.00 12.28 H new ATOM 0 HG3 GLU A 123 44.696 -6.971 -11.726 1.00 12.28 H new ATOM 1852 N MET A 124 43.776 -4.393 -10.996 0.50 8.41 N ATOM 1853 CA MET A 124 43.340 -4.441 -9.605 0.50 7.66 C ATOM 1854 C MET A 124 41.974 -3.781 -9.448 0.50 7.37 C ATOM 1855 O MET A 124 41.038 -4.386 -8.927 0.50 7.04 O ATOM 1856 CB MET A 124 44.359 -3.728 -8.713 0.50 7.67 C ATOM 1857 CG MET A 124 44.069 -4.051 -7.247 0.50 7.34 C ATOM 1858 SD MET A 124 44.603 -2.669 -6.207 0.50 9.25 S ATOM 1859 CE MET A 124 44.011 -3.329 -4.630 0.50 9.75 C ATOM 0 H MET A 124 44.635 -3.867 -11.155 0.50 8.41 H new ATOM 0 HA MET A 124 43.262 -5.486 -9.304 0.50 7.66 H new ATOM 0 HB2 MET A 124 45.369 -4.044 -8.973 0.50 7.67 H new ATOM 0 HB3 MET A 124 44.310 -2.651 -8.876 0.50 7.67 H new ATOM 0 HG2 MET A 124 43.004 -4.234 -7.108 0.50 7.34 H new ATOM 0 HG3 MET A 124 44.590 -4.963 -6.954 0.50 7.34 H new ATOM 0 HE1 MET A 124 44.240 -2.623 -3.831 0.50 9.75 H new ATOM 0 HE2 MET A 124 42.933 -3.482 -4.681 0.50 9.75 H new ATOM 0 HE3 MET A 124 44.503 -4.280 -4.426 0.50 9.75 H new ATOM 1869 N ILE A 125 41.869 -2.536 -9.902 1.00 7.50 N ATOM 1870 CA ILE A 125 40.612 -1.803 -9.807 1.00 8.03 C ATOM 1871 C ILE A 125 39.524 -2.497 -10.619 1.00 8.46 C ATOM 1872 O ILE A 125 38.480 -2.872 -10.085 1.00 9.97 O ATOM 1873 CB ILE A 125 40.801 -0.375 -10.321 1.00 9.03 C ATOM 1874 CG1 ILE A 125 41.602 0.433 -9.296 1.00 8.72 C ATOM 1875 CG2 ILE A 125 39.434 0.279 -10.527 1.00 8.18 C ATOM 1876 CD1 ILE A 125 41.719 1.883 -9.768 1.00 11.99 C ATOM 0 H ILE A 125 42.633 -2.017 -10.336 1.00 7.50 H new ATOM 0 HA ILE A 125 40.307 -1.776 -8.761 1.00 8.03 H new ATOM 0 HB ILE A 125 41.339 -0.398 -11.269 1.00 9.03 H new ATOM 0 HG12 ILE A 125 41.112 0.395 -8.323 1.00 8.72 H new ATOM 0 HG13 ILE A 125 42.594 -0.001 -9.170 1.00 8.72 H new ATOM 0 HG21 ILE A 125 39.569 1.297 -10.893 1.00 8.18 H new ATOM 0 HG22 ILE A 125 38.862 -0.296 -11.255 1.00 8.18 H new ATOM 0 HG23 ILE A 125 38.896 0.303 -9.580 1.00 8.18 H new ATOM 0 HD11 ILE A 125 42.289 2.458 -9.038 1.00 11.99 H new ATOM 0 HD12 ILE A 125 42.228 1.912 -10.731 1.00 11.99 H new ATOM 0 HD13 ILE A 125 40.723 2.314 -9.871 1.00 11.99 H new ATOM 1888 N ARG A 126 39.774 -2.665 -11.914 1.00 10.35 N ATOM 1889 CA ARG A 126 38.808 -3.316 -12.791 1.00 12.29 C ATOM 1890 C ARG A 126 38.223 -4.554 -12.119 1.00 12.05 C ATOM 1891 O ARG A 126 37.135 -5.008 -12.472 1.00 12.18 O ATOM 1892 CB ARG A 126 39.482 -3.716 -14.105 1.00 13.33 C ATOM 1893 CG ARG A 126 38.524 -4.581 -14.927 1.00 16.87 C ATOM 1894 CD ARG A 126 38.977 -4.597 -16.388 1.00 19.79 C ATOM 1895 NE ARG A 126 38.258 -5.628 -17.127 1.00 23.64 N ATOM 1896 CZ ARG A 126 38.711 -6.876 -17.183 1.00 25.37 C ATOM 1897 NH1 ARG A 126 38.050 -7.781 -17.851 1.00 25.82 N ATOM 1898 NH2 ARG A 126 39.818 -7.197 -16.570 1.00 27.23 N ATOM 0 H ARG A 126 40.631 -2.362 -12.376 1.00 10.35 H new ATOM 0 HA ARG A 126 38.001 -2.613 -12.997 1.00 12.29 H new ATOM 0 HB2 ARG A 126 39.760 -2.826 -14.669 1.00 13.33 H new ATOM 0 HB3 ARG A 126 40.402 -4.265 -13.902 1.00 13.33 H new ATOM 0 HG2 ARG A 126 38.503 -5.596 -14.531 1.00 16.87 H new ATOM 0 HG3 ARG A 126 37.510 -4.189 -14.854 1.00 16.87 H new ATOM 0 HD2 ARG A 126 38.799 -3.622 -16.842 1.00 19.79 H new ATOM 0 HD3 ARG A 126 40.050 -4.782 -16.442 1.00 19.79 H new ATOM 0 HE ARG A 126 37.392 -5.387 -17.609 1.00 23.64 H new ATOM 0 HH11 ARG A 126 37.185 -7.531 -18.330 1.00 25.82 H new ATOM 0 HH12 ARG A 126 38.398 -8.739 -17.894 1.00 25.82 H new ATOM 0 HH21 ARG A 126 40.335 -6.490 -16.048 1.00 27.23 H new ATOM 0 HH22 ARG A 126 40.166 -8.155 -16.613 1.00 27.23 H new ATOM 1912 N GLU A 127 38.953 -5.096 -11.149 1.00 11.23 N ATOM 1913 CA GLU A 127 38.496 -6.282 -10.435 1.00 11.00 C ATOM 1914 C GLU A 127 37.667 -5.888 -9.217 1.00 10.05 C ATOM 1915 O GLU A 127 36.533 -6.337 -9.054 1.00 10.87 O ATOM 1916 CB GLU A 127 39.697 -7.118 -9.988 1.00 10.54 C ATOM 1917 CG GLU A 127 39.239 -8.170 -8.976 1.00 12.15 C ATOM 1918 CD GLU A 127 40.208 -9.347 -8.974 1.00 14.58 C ATOM 1919 OE1 GLU A 127 40.262 -10.043 -7.973 1.00 15.50 O ATOM 1920 OE2 GLU A 127 40.883 -9.536 -9.973 1.00 12.21 O ATOM 0 H GLU A 127 39.856 -4.736 -10.842 1.00 11.23 H new ATOM 0 HA GLU A 127 37.874 -6.871 -11.109 1.00 11.00 H new ATOM 0 HB2 GLU A 127 40.157 -7.603 -10.849 1.00 10.54 H new ATOM 0 HB3 GLU A 127 40.455 -6.475 -9.542 1.00 10.54 H new ATOM 0 HG2 GLU A 127 39.186 -7.730 -7.980 1.00 12.15 H new ATOM 0 HG3 GLU A 127 38.236 -8.515 -9.226 1.00 12.15 H new ATOM 1927 N ALA A 128 38.242 -5.046 -8.364 1.00 9.88 N ATOM 1928 CA ALA A 128 37.547 -4.598 -7.163 1.00 9.79 C ATOM 1929 C ALA A 128 36.328 -3.758 -7.531 1.00 9.77 C ATOM 1930 O ALA A 128 35.364 -3.678 -6.770 1.00 9.01 O ATOM 1931 CB ALA A 128 38.492 -3.771 -6.289 1.00 10.50 C ATOM 0 H ALA A 128 39.180 -4.663 -8.481 1.00 9.88 H new ATOM 0 HA ALA A 128 37.216 -5.477 -6.610 1.00 9.79 H new ATOM 0 HB1 ALA A 128 37.964 -3.441 -5.394 1.00 10.50 H new ATOM 0 HB2 ALA A 128 39.348 -4.381 -6.001 1.00 10.50 H new ATOM 0 HB3 ALA A 128 38.837 -2.902 -6.848 1.00 10.50 H new ATOM 1937 N ASP A 129 36.377 -3.135 -8.704 1.00 9.64 N ATOM 1938 CA ASP A 129 35.270 -2.304 -9.163 1.00 9.00 C ATOM 1939 C ASP A 129 34.086 -3.172 -9.579 1.00 8.76 C ATOM 1940 O ASP A 129 34.001 -3.617 -10.723 1.00 10.86 O ATOM 1941 CB ASP A 129 35.717 -1.445 -10.347 1.00 7.85 C ATOM 1942 CG ASP A 129 34.548 -0.609 -10.856 1.00 9.69 C ATOM 1943 OD1 ASP A 129 34.797 0.354 -11.563 1.00 9.05 O ATOM 1944 OD2 ASP A 129 33.421 -0.942 -10.530 1.00 6.85 O ATOM 0 H ASP A 129 37.165 -3.189 -9.350 1.00 9.64 H new ATOM 0 HA ASP A 129 34.961 -1.657 -8.342 1.00 9.00 H new ATOM 0 HB2 ASP A 129 36.537 -0.793 -10.045 1.00 7.85 H new ATOM 0 HB3 ASP A 129 36.095 -2.082 -11.147 1.00 7.85 H new ATOM 1949 N ILE A 130 33.177 -3.411 -8.639 1.00 7.88 N ATOM 1950 CA ILE A 130 32.003 -4.231 -8.915 1.00 5.73 C ATOM 1951 C ILE A 130 31.324 -3.784 -10.206 1.00 5.05 C ATOM 1952 O ILE A 130 30.790 -4.604 -10.952 1.00 5.02 O ATOM 1953 CB ILE A 130 31.012 -4.129 -7.754 1.00 6.80 C ATOM 1954 CG1 ILE A 130 31.723 -4.482 -6.446 1.00 8.06 C ATOM 1955 CG2 ILE A 130 29.855 -5.103 -7.983 1.00 4.19 C ATOM 1956 CD1 ILE A 130 31.016 -3.792 -5.278 1.00 12.26 C ATOM 0 H ILE A 130 33.230 -3.051 -7.686 1.00 7.88 H new ATOM 0 HA ILE A 130 32.326 -5.266 -9.029 1.00 5.73 H new ATOM 0 HB ILE A 130 30.624 -3.112 -7.696 1.00 6.80 H new ATOM 0 HG12 ILE A 130 31.721 -5.562 -6.299 1.00 8.06 H new ATOM 0 HG13 ILE A 130 32.766 -4.168 -6.490 1.00 8.06 H new ATOM 0 HG21 ILE A 130 29.149 -5.030 -7.156 1.00 4.19 H new ATOM 0 HG22 ILE A 130 29.348 -4.853 -8.915 1.00 4.19 H new ATOM 0 HG23 ILE A 130 30.242 -6.120 -8.041 1.00 4.19 H new ATOM 0 HD11 ILE A 130 31.523 -4.044 -4.346 1.00 12.26 H new ATOM 0 HD12 ILE A 130 31.041 -2.712 -5.424 1.00 12.26 H new ATOM 0 HD13 ILE A 130 29.980 -4.128 -5.230 1.00 12.26 H new ATOM 1968 N ASP A 131 31.347 -2.480 -10.463 1.00 3.37 N ATOM 1969 CA ASP A 131 30.728 -1.941 -11.668 1.00 3.41 C ATOM 1970 C ASP A 131 31.718 -1.944 -12.829 1.00 3.42 C ATOM 1971 O ASP A 131 31.326 -1.845 -13.992 1.00 5.27 O ATOM 1972 CB ASP A 131 30.245 -0.512 -11.412 1.00 3.12 C ATOM 1973 CG ASP A 131 30.265 -0.216 -9.916 1.00 5.63 C ATOM 1974 OD1 ASP A 131 29.375 -0.686 -9.227 1.00 7.79 O ATOM 1975 OD2 ASP A 131 31.170 0.478 -9.482 1.00 5.83 O ATOM 0 H ASP A 131 31.783 -1.783 -9.859 1.00 3.37 H new ATOM 0 HA ASP A 131 29.878 -2.572 -11.929 1.00 3.41 H new ATOM 0 HB2 ASP A 131 30.883 0.197 -11.940 1.00 3.12 H new ATOM 0 HB3 ASP A 131 29.236 -0.385 -11.803 1.00 3.12 H new ATOM 1980 N GLY A 132 33.002 -2.057 -12.506 1.00 3.22 N ATOM 1981 CA GLY A 132 34.038 -2.070 -13.532 1.00 3.08 C ATOM 1982 C GLY A 132 34.025 -0.772 -14.332 1.00 3.63 C ATOM 1983 O GLY A 132 34.209 -0.779 -15.550 1.00 3.93 O ATOM 0 H GLY A 132 33.348 -2.140 -11.550 1.00 3.22 H new ATOM 0 HA2 GLY A 132 35.015 -2.206 -13.067 1.00 3.08 H new ATOM 0 HA3 GLY A 132 33.883 -2.916 -14.201 1.00 3.08 H new ATOM 1987 N ASP A 133 33.806 0.340 -13.639 1.00 3.43 N ATOM 1988 CA ASP A 133 33.768 1.643 -14.293 1.00 4.62 C ATOM 1989 C ASP A 133 35.167 2.248 -14.369 1.00 4.97 C ATOM 1990 O ASP A 133 35.354 3.334 -14.916 1.00 5.60 O ATOM 1991 CB ASP A 133 32.839 2.584 -13.522 1.00 4.81 C ATOM 1992 CG ASP A 133 33.258 4.034 -13.741 1.00 6.31 C ATOM 1993 OD1 ASP A 133 33.507 4.713 -12.758 1.00 9.56 O ATOM 1994 OD2 ASP A 133 33.324 4.444 -14.888 1.00 5.38 O ATOM 0 H ASP A 133 33.653 0.366 -12.631 1.00 3.43 H new ATOM 0 HA ASP A 133 33.391 1.511 -15.307 1.00 4.62 H new ATOM 0 HB2 ASP A 133 31.810 2.441 -13.852 1.00 4.81 H new ATOM 0 HB3 ASP A 133 32.869 2.346 -12.459 1.00 4.81 H new ATOM 1999 N GLY A 134 36.145 1.538 -13.816 1.00 5.35 N ATOM 2000 CA GLY A 134 37.522 2.018 -13.828 1.00 5.78 C ATOM 2001 C GLY A 134 37.765 3.002 -12.689 1.00 6.89 C ATOM 2002 O GLY A 134 38.839 3.596 -12.587 1.00 7.32 O ATOM 0 H GLY A 134 36.012 0.636 -13.358 1.00 5.35 H new ATOM 0 HA2 GLY A 134 38.206 1.174 -13.737 1.00 5.78 H new ATOM 0 HA3 GLY A 134 37.735 2.500 -14.782 1.00 5.78 H new ATOM 2006 N GLN A 135 36.761 3.169 -11.835 1.00 8.76 N ATOM 2007 CA GLN A 135 36.875 4.083 -10.704 1.00 10.22 C ATOM 2008 C GLN A 135 36.307 3.442 -9.443 1.00 10.54 C ATOM 2009 O GLN A 135 35.535 2.486 -9.516 1.00 9.45 O ATOM 2010 CB GLN A 135 36.123 5.381 -11.003 1.00 11.41 C ATOM 2011 CG GLN A 135 36.269 5.727 -12.487 1.00 15.22 C ATOM 2012 CD GLN A 135 35.583 7.056 -12.783 1.00 14.99 C ATOM 2013 OE1 GLN A 135 36.248 8.082 -12.921 1.00 22.05 O ATOM 2014 NE2 GLN A 135 34.283 7.099 -12.888 1.00 21.85 N ATOM 0 H GLN A 135 35.865 2.687 -11.903 1.00 8.76 H new ATOM 0 HA GLN A 135 37.930 4.305 -10.543 1.00 10.22 H new ATOM 0 HB2 GLN A 135 35.069 5.270 -10.747 1.00 11.41 H new ATOM 0 HB3 GLN A 135 36.517 6.191 -10.390 1.00 11.41 H new ATOM 0 HG2 GLN A 135 37.324 5.786 -12.753 1.00 15.22 H new ATOM 0 HG3 GLN A 135 35.830 4.938 -13.098 1.00 15.22 H new ATOM 0 HE21 GLN A 135 33.734 6.247 -12.773 1.00 21.85 H new ATOM 0 HE22 GLN A 135 33.816 7.984 -13.085 1.00 21.85 H new ATOM 2023 N VAL A 136 36.693 3.972 -8.287 1.00 10.23 N ATOM 2024 CA VAL A 136 36.214 3.438 -7.017 1.00 8.85 C ATOM 2025 C VAL A 136 35.311 4.446 -6.315 1.00 7.34 C ATOM 2026 O VAL A 136 35.627 5.634 -6.243 1.00 7.03 O ATOM 2027 CB VAL A 136 37.400 3.096 -6.114 1.00 7.54 C ATOM 2028 CG1 VAL A 136 36.885 2.545 -4.783 1.00 8.16 C ATOM 2029 CG2 VAL A 136 38.273 2.042 -6.797 1.00 10.34 C ATOM 0 H VAL A 136 37.330 4.764 -8.203 1.00 10.23 H new ATOM 0 HA VAL A 136 35.639 2.535 -7.220 1.00 8.85 H new ATOM 0 HB VAL A 136 37.989 3.995 -5.932 1.00 7.54 H new ATOM 0 HG11 VAL A 136 37.730 2.301 -4.139 1.00 8.16 H new ATOM 0 HG12 VAL A 136 36.262 3.295 -4.296 1.00 8.16 H new ATOM 0 HG13 VAL A 136 36.296 1.646 -4.965 1.00 8.16 H new ATOM 0 HG21 VAL A 136 39.119 1.798 -6.154 1.00 10.34 H new ATOM 0 HG22 VAL A 136 37.684 1.143 -6.978 1.00 10.34 H new ATOM 0 HG23 VAL A 136 38.640 2.433 -7.746 1.00 10.34 H new ATOM 2039 N ASN A 137 34.190 3.962 -5.790 1.00 6.53 N ATOM 2040 CA ASN A 137 33.251 4.827 -5.085 1.00 7.00 C ATOM 2041 C ASN A 137 33.265 4.517 -3.592 1.00 7.22 C ATOM 2042 O ASN A 137 33.685 3.436 -3.179 1.00 10.52 O ATOM 2043 CB ASN A 137 31.839 4.627 -5.638 1.00 6.31 C ATOM 2044 CG ASN A 137 31.773 5.105 -7.085 1.00 7.74 C ATOM 2045 OD1 ASN A 137 32.822 4.983 -7.851 1.00 12.02 O flip ATOM 2046 ND2 ASN A 137 30.738 5.603 -7.528 1.00 9.78 N flip ATOM 0 H ASN A 137 33.911 2.982 -5.839 1.00 6.53 H new ATOM 0 HA ASN A 137 33.553 5.864 -5.235 1.00 7.00 H new ATOM 0 HB2 ASN A 137 31.563 3.574 -5.581 1.00 6.31 H new ATOM 0 HB3 ASN A 137 31.120 5.178 -5.031 1.00 6.31 H new ATOM 0 HD21 ASN A 137 29.919 5.697 -6.927 1.00 9.78 H new ATOM 0 HD22 ASN A 137 30.699 5.921 -8.496 1.00 9.78 H new ATOM 2053 N TYR A 138 32.804 5.467 -2.785 0.50 8.14 N ATOM 2054 CA TYR A 138 32.772 5.274 -1.340 0.50 7.95 C ATOM 2055 C TYR A 138 32.122 3.939 -0.994 0.50 8.75 C ATOM 2056 O TYR A 138 32.435 3.332 0.030 0.50 8.62 O ATOM 2057 CB TYR A 138 31.991 6.411 -0.679 0.50 7.85 C ATOM 2058 CG TYR A 138 32.047 6.255 0.821 0.50 6.95 C ATOM 2059 CD1 TYR A 138 33.155 6.731 1.533 0.50 6.52 C ATOM 2060 CD2 TYR A 138 30.992 5.635 1.501 0.50 5.59 C ATOM 2061 CE1 TYR A 138 33.207 6.586 2.925 0.50 7.79 C ATOM 2062 CE2 TYR A 138 31.044 5.491 2.892 0.50 5.99 C ATOM 2063 CZ TYR A 138 32.152 5.966 3.604 0.50 6.26 C ATOM 2064 OH TYR A 138 32.203 5.824 4.976 0.50 6.33 O ATOM 0 H TYR A 138 32.451 6.370 -3.103 0.50 8.14 H new ATOM 0 HA TYR A 138 33.797 5.274 -0.968 0.50 7.95 H new ATOM 0 HB2 TYR A 138 32.412 7.373 -0.971 0.50 7.85 H new ATOM 0 HB3 TYR A 138 30.955 6.400 -1.018 0.50 7.85 H new ATOM 0 HD1 TYR A 138 33.969 7.210 1.009 0.50 6.52 H new ATOM 0 HD2 TYR A 138 30.138 5.268 0.952 0.50 5.59 H new ATOM 0 HE1 TYR A 138 34.061 6.953 3.475 0.50 7.79 H new ATOM 0 HE2 TYR A 138 30.229 5.013 3.416 0.50 5.99 H new ATOM 0 HH TYR A 138 31.348 5.472 5.300 0.50 6.33 H new ATOM 2074 N GLU A 139 31.216 3.487 -1.856 1.00 9.07 N ATOM 2075 CA GLU A 139 30.527 2.222 -1.632 1.00 10.59 C ATOM 2076 C GLU A 139 31.488 1.050 -1.810 1.00 9.77 C ATOM 2077 O GLU A 139 31.444 0.079 -1.054 1.00 11.13 O ATOM 2078 CB GLU A 139 29.362 2.081 -2.613 1.00 10.86 C ATOM 2079 CG GLU A 139 28.380 3.237 -2.408 1.00 14.67 C ATOM 2080 CD GLU A 139 27.841 3.708 -3.755 1.00 16.27 C ATOM 2081 OE1 GLU A 139 26.854 3.149 -4.204 1.00 22.33 O ATOM 2082 OE2 GLU A 139 28.423 4.621 -4.317 1.00 20.01 O ATOM 0 H GLU A 139 30.944 3.974 -2.710 1.00 9.07 H new ATOM 0 HA GLU A 139 30.145 2.214 -0.611 1.00 10.59 H new ATOM 0 HB2 GLU A 139 29.733 2.082 -3.638 1.00 10.86 H new ATOM 0 HB3 GLU A 139 28.856 1.128 -2.459 1.00 10.86 H new ATOM 0 HG2 GLU A 139 27.557 2.917 -1.769 1.00 14.67 H new ATOM 0 HG3 GLU A 139 28.878 4.062 -1.897 1.00 14.67 H new ATOM 2089 N GLU A 140 32.355 1.148 -2.812 1.00 10.22 N ATOM 2090 CA GLU A 140 33.323 0.090 -3.078 1.00 8.98 C ATOM 2091 C GLU A 140 34.247 -0.102 -1.880 1.00 8.77 C ATOM 2092 O GLU A 140 34.542 -1.230 -1.486 1.00 8.82 O ATOM 2093 CB GLU A 140 34.152 0.439 -4.316 1.00 9.71 C ATOM 2094 CG GLU A 140 33.422 -0.041 -5.572 1.00 8.70 C ATOM 2095 CD GLU A 140 33.515 1.016 -6.667 1.00 9.57 C ATOM 2096 OE1 GLU A 140 32.903 2.060 -6.509 1.00 13.45 O ATOM 2097 OE2 GLU A 140 34.197 0.768 -7.648 1.00 10.05 O ATOM 0 H GLU A 140 32.408 1.943 -3.449 1.00 10.22 H new ATOM 0 HA GLU A 140 32.780 -0.838 -3.256 1.00 8.98 H new ATOM 0 HB2 GLU A 140 34.314 1.516 -4.366 1.00 9.71 H new ATOM 0 HB3 GLU A 140 35.134 -0.029 -4.252 1.00 9.71 H new ATOM 0 HG2 GLU A 140 33.859 -0.977 -5.921 1.00 8.70 H new ATOM 0 HG3 GLU A 140 32.377 -0.244 -5.339 1.00 8.70 H new ATOM 2104 N PHE A 141 34.699 1.007 -1.304 1.00 7.84 N ATOM 2105 CA PHE A 141 35.589 0.949 -0.150 1.00 6.81 C ATOM 2106 C PHE A 141 35.012 0.030 0.922 1.00 7.49 C ATOM 2107 O PHE A 141 35.628 -0.968 1.295 1.00 8.25 O ATOM 2108 CB PHE A 141 35.785 2.352 0.430 1.00 7.47 C ATOM 2109 CG PHE A 141 37.148 2.875 0.042 1.00 5.76 C ATOM 2110 CD1 PHE A 141 37.520 2.927 -1.307 1.00 6.47 C ATOM 2111 CD2 PHE A 141 38.038 3.310 1.031 1.00 4.85 C ATOM 2112 CE1 PHE A 141 38.783 3.414 -1.666 1.00 2.00 C ATOM 2113 CE2 PHE A 141 39.301 3.796 0.672 1.00 4.27 C ATOM 2114 CZ PHE A 141 39.673 3.848 -0.677 1.00 2.00 C ATOM 0 H PHE A 141 34.466 1.950 -1.614 1.00 7.84 H new ATOM 0 HA PHE A 141 36.551 0.553 -0.475 1.00 6.81 H new ATOM 0 HB2 PHE A 141 35.009 3.021 0.060 1.00 7.47 H new ATOM 0 HB3 PHE A 141 35.691 2.324 1.516 1.00 7.47 H new ATOM 0 HD1 PHE A 141 36.833 2.592 -2.070 1.00 6.47 H new ATOM 0 HD2 PHE A 141 37.750 3.271 2.071 1.00 4.85 H new ATOM 0 HE1 PHE A 141 39.070 3.455 -2.706 1.00 2.00 H new ATOM 0 HE2 PHE A 141 39.988 4.131 1.435 1.00 4.27 H new ATOM 0 HZ PHE A 141 40.647 4.223 -0.954 1.00 2.00 H new ATOM 2124 N VAL A 142 33.826 0.375 1.413 1.00 5.97 N ATOM 2125 CA VAL A 142 33.175 -0.427 2.442 1.00 6.53 C ATOM 2126 C VAL A 142 33.135 -1.895 2.031 1.00 5.16 C ATOM 2127 O VAL A 142 33.278 -2.788 2.866 1.00 5.28 O ATOM 2128 CB VAL A 142 31.750 0.079 2.675 1.00 7.17 C ATOM 2129 CG1 VAL A 142 31.075 -0.774 3.750 1.00 10.15 C ATOM 2130 CG2 VAL A 142 31.797 1.537 3.138 1.00 7.96 C ATOM 0 H VAL A 142 33.300 1.198 1.118 1.00 5.97 H new ATOM 0 HA VAL A 142 33.748 -0.335 3.365 1.00 6.53 H new ATOM 0 HB VAL A 142 31.183 0.009 1.747 1.00 7.17 H new ATOM 0 HG11 VAL A 142 30.060 -0.414 3.916 1.00 10.15 H new ATOM 0 HG12 VAL A 142 31.042 -1.813 3.422 1.00 10.15 H new ATOM 0 HG13 VAL A 142 31.641 -0.704 4.679 1.00 10.15 H new ATOM 0 HG21 VAL A 142 30.782 1.899 3.304 1.00 7.96 H new ATOM 0 HG22 VAL A 142 32.364 1.606 4.067 1.00 7.96 H new ATOM 0 HG23 VAL A 142 32.279 2.146 2.373 1.00 7.96 H new ATOM 2140 N GLN A 143 32.942 -2.137 0.738 0.50 5.93 N ATOM 2141 CA GLN A 143 32.886 -3.502 0.227 0.50 5.91 C ATOM 2142 C GLN A 143 34.044 -4.326 0.781 0.50 5.69 C ATOM 2143 O GLN A 143 33.837 -5.385 1.373 0.50 5.40 O ATOM 2144 CB GLN A 143 32.950 -3.491 -1.301 0.50 5.96 C ATOM 2145 CG GLN A 143 32.117 -4.649 -1.855 0.50 6.79 C ATOM 2146 CD GLN A 143 30.634 -4.302 -1.791 0.50 8.07 C ATOM 2147 OE1 GLN A 143 30.246 -3.172 -2.089 0.50 7.89 O ATOM 2148 NE2 GLN A 143 29.776 -5.211 -1.418 0.50 8.24 N ATOM 0 H GLN A 143 32.823 -1.412 0.030 0.50 5.93 H new ATOM 0 HA GLN A 143 31.947 -3.953 0.547 0.50 5.91 H new ATOM 0 HB2 GLN A 143 32.574 -2.542 -1.685 0.50 5.96 H new ATOM 0 HB3 GLN A 143 33.984 -3.582 -1.633 0.50 5.96 H new ATOM 0 HG2 GLN A 143 32.406 -4.856 -2.885 0.50 6.79 H new ATOM 0 HG3 GLN A 143 32.312 -5.555 -1.281 0.50 6.79 H new ATOM 0 HE21 GLN A 143 30.099 -6.147 -1.171 0.50 8.24 H new ATOM 0 HE22 GLN A 143 28.782 -4.986 -1.373 0.50 8.24 H new ATOM 2157 N MET A 144 35.262 -3.833 0.585 0.50 6.59 N ATOM 2158 CA MET A 144 36.446 -4.533 1.070 0.50 5.84 C ATOM 2159 C MET A 144 36.269 -4.929 2.532 0.50 6.04 C ATOM 2160 O MET A 144 36.694 -6.007 2.949 0.50 6.68 O ATOM 2161 CB MET A 144 37.678 -3.637 0.927 0.50 5.76 C ATOM 2162 CG MET A 144 38.855 -4.467 0.411 0.50 5.91 C ATOM 2163 SD MET A 144 40.376 -3.493 0.527 0.50 4.59 S ATOM 2164 CE MET A 144 41.533 -4.834 0.153 0.50 2.00 C ATOM 0 H MET A 144 35.455 -2.958 0.097 0.50 6.59 H new ATOM 0 HA MET A 144 36.583 -5.435 0.474 0.50 5.84 H new ATOM 0 HB2 MET A 144 37.467 -2.818 0.239 0.50 5.76 H new ATOM 0 HB3 MET A 144 37.929 -3.189 1.889 0.50 5.76 H new ATOM 0 HG2 MET A 144 38.951 -5.383 0.994 0.50 5.91 H new ATOM 0 HG3 MET A 144 38.679 -4.764 -0.623 0.50 5.91 H new ATOM 0 HE1 MET A 144 42.553 -4.450 0.171 0.50 2.00 H new ATOM 0 HE2 MET A 144 41.429 -5.623 0.898 0.50 2.00 H new ATOM 0 HE3 MET A 144 41.315 -5.238 -0.836 0.50 2.00 H new ATOM 2174 N MET A 145 35.637 -4.052 3.305 0.50 6.29 N ATOM 2175 CA MET A 145 35.407 -4.322 4.719 0.50 7.25 C ATOM 2176 C MET A 145 34.071 -5.030 4.918 0.50 7.30 C ATOM 2177 O MET A 145 33.832 -5.648 5.956 0.50 6.60 O ATOM 2178 CB MET A 145 35.414 -3.011 5.509 0.50 7.65 C ATOM 2179 CG MET A 145 36.846 -2.673 5.926 0.50 9.43 C ATOM 2180 SD MET A 145 36.843 -1.166 6.928 0.50 13.37 S ATOM 2181 CE MET A 145 38.555 -1.274 7.505 0.50 13.25 C ATOM 0 H MET A 145 35.277 -3.155 2.979 0.50 6.29 H new ATOM 0 HA MET A 145 36.206 -4.969 5.081 0.50 7.25 H new ATOM 0 HB2 MET A 145 35.002 -2.206 4.901 0.50 7.65 H new ATOM 0 HB3 MET A 145 34.779 -3.102 6.390 0.50 7.65 H new ATOM 0 HG2 MET A 145 37.275 -3.499 6.493 0.50 9.43 H new ATOM 0 HG3 MET A 145 37.470 -2.534 5.043 0.50 9.43 H new ATOM 0 HE1 MET A 145 38.569 -1.331 8.593 0.50 13.25 H new ATOM 0 HE2 MET A 145 39.024 -2.166 7.089 0.50 13.25 H new ATOM 0 HE3 MET A 145 39.105 -0.390 7.181 0.50 13.25 H new ATOM 2191 N THR A 146 33.203 -4.936 3.916 1.00 7.72 N ATOM 2192 CA THR A 146 31.893 -5.572 3.988 1.00 9.13 C ATOM 2193 C THR A 146 32.007 -7.068 3.713 1.00 10.78 C ATOM 2194 O THR A 146 31.000 -7.755 3.536 1.00 9.16 O ATOM 2195 CB THR A 146 30.945 -4.935 2.970 1.00 10.24 C ATOM 2196 OG1 THR A 146 31.185 -3.535 2.913 1.00 8.27 O ATOM 2197 CG2 THR A 146 29.496 -5.189 3.389 1.00 10.65 C ATOM 0 H THR A 146 33.382 -4.429 3.049 1.00 7.72 H new ATOM 0 HA THR A 146 31.496 -5.428 4.993 1.00 9.13 H new ATOM 0 HB THR A 146 31.119 -5.375 1.988 1.00 10.24 H new ATOM 0 HG1 THR A 146 32.016 -3.326 3.389 1.00 8.27 H new ATOM 0 HG21 THR A 146 28.822 -4.734 2.663 1.00 10.65 H new ATOM 0 HG22 THR A 146 29.313 -6.263 3.432 1.00 10.65 H new ATOM 0 HG23 THR A 146 29.319 -4.751 4.371 1.00 10.65 H new ATOM 2205 N ALA A 147 33.238 -7.566 3.679 1.00 12.23 N ATOM 2206 CA ALA A 147 33.472 -8.983 3.425 1.00 14.56 C ATOM 2207 C ALA A 147 33.526 -9.760 4.737 1.00 16.77 C ATOM 2208 O ALA A 147 33.986 -9.245 5.756 1.00 18.52 O ATOM 2209 CB ALA A 147 34.786 -9.168 2.666 1.00 15.29 C ATOM 0 H ALA A 147 34.084 -7.014 3.823 1.00 12.23 H new ATOM 0 HA ALA A 147 32.648 -9.366 2.822 1.00 14.56 H new ATOM 0 HB1 ALA A 147 34.953 -10.229 2.481 1.00 15.29 H new ATOM 0 HB2 ALA A 147 34.735 -8.637 1.715 1.00 15.29 H new ATOM 0 HB3 ALA A 147 35.609 -8.770 3.260 1.00 15.29 H new ATOM 2215 N LYS A 148 33.053 -11.002 4.704 1.00 18.29 N ATOM 2216 CA LYS A 148 33.054 -11.840 5.897 1.00 19.47 C ATOM 2217 C LYS A 148 33.784 -13.153 5.630 1.00 20.05 C ATOM 2218 O LYS A 148 34.711 -13.141 4.837 1.00 20.38 O ATOM 2219 CB LYS A 148 31.616 -12.133 6.330 1.00 19.94 C ATOM 2220 CG LYS A 148 31.595 -12.507 7.813 1.00 19.92 C ATOM 2221 CD LYS A 148 30.422 -13.452 8.085 1.00 21.49 C ATOM 2222 CE LYS A 148 30.547 -14.028 9.497 1.00 21.36 C ATOM 2223 NZ LYS A 148 29.529 -15.099 9.688 1.00 23.42 N ATOM 2224 OXT LYS A 148 33.404 -14.150 6.221 1.00 20.68 O ATOM 0 H LYS A 148 32.667 -11.447 3.871 1.00 18.29 H new ATOM 0 HA LYS A 148 33.572 -11.305 6.693 1.00 19.47 H new ATOM 0 HB2 LYS A 148 30.987 -11.260 6.156 1.00 19.94 H new ATOM 0 HB3 LYS A 148 31.204 -12.947 5.733 1.00 19.94 H new ATOM 0 HG2 LYS A 148 32.534 -12.986 8.091 1.00 19.92 H new ATOM 0 HG3 LYS A 148 31.502 -11.609 8.424 1.00 19.92 H new ATOM 0 HD2 LYS A 148 29.478 -12.916 7.982 1.00 21.49 H new ATOM 0 HD3 LYS A 148 30.413 -14.258 7.351 1.00 21.49 H new ATOM 0 HE2 LYS A 148 31.548 -14.432 9.649 1.00 21.36 H new ATOM 0 HE3 LYS A 148 30.405 -13.240 10.237 1.00 21.36 H new ATOM 0 HZ1 LYS A 148 29.613 -15.491 10.648 1.00 23.42 H new ATOM 0 HZ2 LYS A 148 28.577 -14.700 9.559 1.00 23.42 H new ATOM 0 HZ3 LYS A 148 29.685 -15.855 8.991 1.00 23.42 H new TER 2238 LYS A 148 HETATM 2239 CA CA A 401 64.036 7.144 9.905 1.00 3.06 CA HETATM 2240 CA CA A 402 37.482 12.650 -8.926 1.00 3.06 CA HETATM 2241 CA CA A 403 33.027 2.957 -9.963 1.00 3.06 CA HETATM 2242 TB TB A 404 58.317 1.304 19.990 1.00 4.04 TB