USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 987 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 71 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.66) USER MOD Set 1.2: A 74 HIS : no HD1:sc=-0.00829 K(o=-1.4,f=-0.66) USER MOD Set 2.1: A 44 ASN : amide:sc= -5.31! C(o=-8.8!,f=-6.3!) USER MOD Set 2.2: A 45 GLN : amide:sc= -2.77 X(o=-8.8,f=-9.2!) USER MOD Set 2.3: A 114 ASN : amide:sc= -0.751 K(o=-8.8,f=-6.5) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2) USER MOD Single : A 11 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.63) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= -1.11 (180deg=-3.16!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -159:sc= -0.885 (180deg=-3.05!) USER MOD Single : A 22 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 47 THR OG1 : rot -128:sc= 1.23 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.45 K(o=-1.4,f=-5.1!) USER MOD Single : A 85 GLN : amide:sc= -1.84! C(o=-1.8!,f=-5.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.156 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 21:sc= -7.24! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 93 ASN : amide:sc= -0.454 K(o=-0.45,f=-3.6!) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0293 (180deg=-0.489) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -103:sc= -2.08 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 161:sc= -0.319 (180deg=-0.987) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00647) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 2.641 1.867 1.419 1.00 0.29 N ATOM 16 CA GLN A 2 3.535 1.868 2.611 1.00 0.34 C ATOM 17 C GLN A 2 3.308 3.142 3.427 1.00 0.34 C ATOM 18 O GLN A 2 2.874 4.153 2.911 1.00 0.34 O ATOM 19 CB GLN A 2 4.993 1.803 2.151 1.00 0.38 C ATOM 20 CG GLN A 2 5.560 3.219 2.036 1.00 0.23 C ATOM 21 CD GLN A 2 6.862 3.183 1.235 1.00 0.32 C ATOM 22 OE1 GLN A 2 7.933 3.064 1.798 1.00 0.51 O ATOM 23 NE2 GLN A 2 6.817 3.283 -0.065 1.00 0.63 N ATOM 0 HA GLN A 2 3.311 1.002 3.233 1.00 0.34 H new ATOM 0 HB2 GLN A 2 5.583 1.221 2.860 1.00 0.38 H new ATOM 0 HB3 GLN A 2 5.059 1.295 1.189 1.00 0.38 H new ATOM 0 HG2 GLN A 2 4.838 3.873 1.547 1.00 0.23 H new ATOM 0 HG3 GLN A 2 5.742 3.631 3.029 1.00 0.23 H new ATOM 0 HE21 GLN A 2 5.919 3.383 -0.538 1.00 0.63 H new ATOM 0 HE22 GLN A 2 7.680 3.261 -0.608 1.00 0.63 H new ATOM 32 N VAL A 3 3.596 3.099 4.699 1.00 0.36 N ATOM 33 CA VAL A 3 3.398 4.305 5.548 1.00 0.38 C ATOM 34 C VAL A 3 4.758 4.940 5.848 1.00 0.39 C ATOM 35 O VAL A 3 5.747 4.256 6.025 1.00 0.77 O ATOM 36 CB VAL A 3 2.719 3.902 6.860 1.00 0.37 C ATOM 37 CG1 VAL A 3 1.209 3.795 6.648 1.00 0.37 C ATOM 38 CG2 VAL A 3 3.263 2.548 7.321 1.00 0.37 C ATOM 0 H VAL A 3 3.960 2.280 5.186 1.00 0.36 H new ATOM 0 HA VAL A 3 2.768 5.023 5.023 1.00 0.38 H new ATOM 0 HB VAL A 3 2.925 4.657 7.618 1.00 0.37 H new ATOM 0 HG11 VAL A 3 0.730 3.508 7.584 1.00 0.37 H new ATOM 0 HG12 VAL A 3 0.818 4.759 6.321 1.00 0.37 H new ATOM 0 HG13 VAL A 3 1.001 3.042 5.888 1.00 0.37 H new ATOM 0 HG21 VAL A 3 2.780 2.261 8.255 1.00 0.37 H new ATOM 0 HG22 VAL A 3 3.058 1.795 6.560 1.00 0.37 H new ATOM 0 HG23 VAL A 3 4.339 2.622 7.477 1.00 0.37 H new ATOM 48 N ASP A 4 4.820 6.242 5.897 1.00 0.08 N ATOM 49 CA ASP A 4 6.121 6.913 6.172 1.00 0.08 C ATOM 50 C ASP A 4 6.524 6.700 7.632 1.00 0.09 C ATOM 51 O ASP A 4 5.851 7.136 8.545 1.00 0.21 O ATOM 52 CB ASP A 4 5.993 8.413 5.893 1.00 0.20 C ATOM 53 CG ASP A 4 7.388 9.031 5.769 1.00 0.30 C ATOM 54 OD1 ASP A 4 8.135 8.959 6.730 1.00 0.17 O ATOM 55 OD2 ASP A 4 7.685 9.566 4.712 1.00 0.77 O ATOM 0 H ASP A 4 4.028 6.869 5.759 1.00 0.08 H new ATOM 0 HA ASP A 4 6.885 6.483 5.524 1.00 0.08 H new ATOM 0 HB2 ASP A 4 5.429 8.576 4.975 1.00 0.20 H new ATOM 0 HB3 ASP A 4 5.439 8.897 6.697 1.00 0.20 H new ATOM 60 N VAL A 5 7.633 6.047 7.851 1.00 0.13 N ATOM 61 CA VAL A 5 8.113 5.814 9.242 1.00 0.17 C ATOM 62 C VAL A 5 9.638 5.928 9.256 1.00 0.22 C ATOM 63 O VAL A 5 10.294 5.709 8.257 1.00 0.18 O ATOM 64 CB VAL A 5 7.703 4.417 9.721 1.00 0.15 C ATOM 65 CG1 VAL A 5 6.182 4.281 9.671 1.00 0.30 C ATOM 66 CG2 VAL A 5 8.335 3.354 8.820 1.00 0.16 C ATOM 0 H VAL A 5 8.231 5.662 7.120 1.00 0.13 H new ATOM 0 HA VAL A 5 7.670 6.554 9.908 1.00 0.17 H new ATOM 0 HB VAL A 5 8.048 4.277 10.745 1.00 0.15 H new ATOM 0 HG11 VAL A 5 5.894 3.287 10.012 1.00 0.30 H new ATOM 0 HG12 VAL A 5 5.728 5.032 10.318 1.00 0.30 H new ATOM 0 HG13 VAL A 5 5.837 4.427 8.647 1.00 0.30 H new ATOM 0 HG21 VAL A 5 8.040 2.363 9.165 1.00 0.16 H new ATOM 0 HG22 VAL A 5 7.995 3.497 7.794 1.00 0.16 H new ATOM 0 HG23 VAL A 5 9.421 3.444 8.858 1.00 0.16 H new ATOM 76 N LYS A 6 10.209 6.268 10.374 1.00 0.34 N ATOM 77 CA LYS A 6 11.688 6.391 10.439 1.00 0.43 C ATOM 78 C LYS A 6 12.247 5.258 11.296 1.00 0.37 C ATOM 79 O LYS A 6 12.101 5.250 12.502 1.00 0.28 O ATOM 80 CB LYS A 6 12.061 7.735 11.067 1.00 0.48 C ATOM 81 CG LYS A 6 13.030 8.479 10.146 1.00 0.63 C ATOM 82 CD LYS A 6 14.222 8.983 10.960 1.00 0.49 C ATOM 83 CE LYS A 6 13.879 10.343 11.570 1.00 1.28 C ATOM 84 NZ LYS A 6 14.488 11.425 10.747 1.00 2.05 N ATOM 0 H LYS A 6 9.716 6.466 11.245 1.00 0.34 H new ATOM 0 HA LYS A 6 12.106 6.333 9.434 1.00 0.43 H new ATOM 0 HB2 LYS A 6 11.165 8.334 11.229 1.00 0.48 H new ATOM 0 HB3 LYS A 6 12.520 7.577 12.043 1.00 0.48 H new ATOM 0 HG2 LYS A 6 13.373 7.817 9.351 1.00 0.63 H new ATOM 0 HG3 LYS A 6 12.523 9.317 9.667 1.00 0.63 H new ATOM 0 HD2 LYS A 6 14.467 8.270 11.747 1.00 0.49 H new ATOM 0 HD3 LYS A 6 15.102 9.069 10.323 1.00 0.49 H new ATOM 0 HE2 LYS A 6 12.797 10.471 11.615 1.00 1.28 H new ATOM 0 HE3 LYS A 6 14.249 10.398 12.594 1.00 1.28 H new ATOM 0 HZ1 LYS A 6 14.255 12.350 11.162 1.00 2.05 H new ATOM 0 HZ2 LYS A 6 15.521 11.306 10.726 1.00 2.05 H new ATOM 0 HZ3 LYS A 6 14.114 11.376 9.778 1.00 2.05 H new ATOM 98 N ASP A 7 12.886 4.298 10.685 1.00 0.43 N ATOM 99 CA ASP A 7 13.453 3.167 11.471 1.00 0.42 C ATOM 100 C ASP A 7 14.461 3.715 12.484 1.00 0.44 C ATOM 101 O ASP A 7 15.279 4.555 12.167 1.00 0.72 O ATOM 102 CB ASP A 7 14.163 2.196 10.527 1.00 0.49 C ATOM 103 CG ASP A 7 15.450 2.842 10.011 1.00 2.37 C ATOM 104 OD1 ASP A 7 16.367 2.995 10.799 1.00 3.69 O ATOM 105 OD2 ASP A 7 15.495 3.177 8.840 1.00 3.46 O ATOM 0 H ASP A 7 13.039 4.248 9.678 1.00 0.43 H new ATOM 0 HA ASP A 7 12.651 2.646 11.993 1.00 0.42 H new ATOM 0 HB2 ASP A 7 14.393 1.267 11.048 1.00 0.49 H new ATOM 0 HB3 ASP A 7 13.511 1.940 9.692 1.00 0.49 H new ATOM 110 N CYS A 8 14.415 3.244 13.698 1.00 0.54 N ATOM 111 CA CYS A 8 15.377 3.736 14.722 1.00 0.70 C ATOM 112 C CYS A 8 16.358 2.614 15.071 1.00 0.70 C ATOM 113 O CYS A 8 17.320 2.817 15.783 1.00 1.09 O ATOM 114 CB CYS A 8 14.617 4.162 15.982 1.00 0.80 C ATOM 115 SG CYS A 8 14.449 2.745 17.092 1.00 0.64 S ATOM 0 H CYS A 8 13.753 2.540 14.025 1.00 0.54 H new ATOM 0 HA CYS A 8 15.924 4.592 14.327 1.00 0.70 H new ATOM 0 HB2 CYS A 8 15.148 4.970 16.484 1.00 0.80 H new ATOM 0 HB3 CYS A 8 13.633 4.546 15.714 1.00 0.80 H new ATOM 120 N ALA A 9 16.123 1.429 14.572 1.00 0.36 N ATOM 121 CA ALA A 9 17.044 0.297 14.877 1.00 0.43 C ATOM 122 C ALA A 9 18.397 0.546 14.222 1.00 0.49 C ATOM 123 O ALA A 9 19.407 0.678 14.884 1.00 0.69 O ATOM 124 CB ALA A 9 16.472 -1.007 14.320 1.00 0.40 C ATOM 0 H ALA A 9 15.335 1.197 13.968 1.00 0.36 H new ATOM 0 HA ALA A 9 17.156 0.221 15.959 1.00 0.43 H new ATOM 0 HB1 ALA A 9 17.151 -1.829 14.547 1.00 0.40 H new ATOM 0 HB2 ALA A 9 15.501 -1.202 14.775 1.00 0.40 H new ATOM 0 HB3 ALA A 9 16.355 -0.921 13.240 1.00 0.40 H new ATOM 130 N ASN A 10 18.427 0.591 12.920 1.00 0.35 N ATOM 131 CA ASN A 10 19.718 0.807 12.218 1.00 0.39 C ATOM 132 C ASN A 10 19.541 0.489 10.734 1.00 0.32 C ATOM 133 O ASN A 10 20.303 -0.257 10.155 1.00 0.35 O ATOM 134 CB ASN A 10 20.752 -0.141 12.819 1.00 0.52 C ATOM 135 CG ASN A 10 21.842 0.662 13.529 1.00 0.64 C ATOM 136 OD1 ASN A 10 21.596 1.747 14.018 1.00 0.65 O ATOM 137 ND2 ASN A 10 23.048 0.169 13.607 1.00 0.89 N ATOM 0 H ASN A 10 17.613 0.487 12.314 1.00 0.35 H new ATOM 0 HA ASN A 10 20.044 1.841 12.329 1.00 0.39 H new ATOM 0 HB2 ASN A 10 20.270 -0.819 13.523 1.00 0.52 H new ATOM 0 HB3 ASN A 10 21.193 -0.756 12.035 1.00 0.52 H new ATOM 0 HD21 ASN A 10 23.784 0.694 14.078 1.00 0.89 H new ATOM 0 HD22 ASN A 10 23.254 -0.742 13.197 1.00 0.89 H new ATOM 144 N ASN A 11 18.533 1.035 10.116 1.00 0.27 N ATOM 145 CA ASN A 11 18.307 0.740 8.677 1.00 0.22 C ATOM 146 C ASN A 11 17.988 -0.746 8.539 1.00 0.27 C ATOM 147 O ASN A 11 18.257 -1.366 7.529 1.00 0.38 O ATOM 148 CB ASN A 11 19.566 1.073 7.874 1.00 0.22 C ATOM 149 CG ASN A 11 20.211 2.342 8.433 1.00 2.25 C ATOM 150 OD1 ASN A 11 21.310 2.303 8.951 1.00 4.14 O ATOM 151 ND2 ASN A 11 19.570 3.476 8.348 1.00 2.38 N ATOM 0 H ASN A 11 17.859 1.670 10.543 1.00 0.27 H new ATOM 0 HA ASN A 11 17.481 1.341 8.296 1.00 0.22 H new ATOM 0 HB2 ASN A 11 20.271 0.243 7.923 1.00 0.22 H new ATOM 0 HB3 ASN A 11 19.313 1.214 6.823 1.00 0.22 H new ATOM 0 HD21 ASN A 11 19.991 4.329 8.716 1.00 2.38 H new ATOM 0 HD22 ASN A 11 18.648 3.509 7.913 1.00 2.38 H new ATOM 158 N GLU A 12 17.416 -1.319 9.562 1.00 0.38 N ATOM 159 CA GLU A 12 17.070 -2.765 9.525 1.00 0.40 C ATOM 160 C GLU A 12 15.810 -2.964 8.685 1.00 0.38 C ATOM 161 O GLU A 12 15.857 -3.496 7.594 1.00 0.40 O ATOM 162 CB GLU A 12 16.810 -3.257 10.951 1.00 0.42 C ATOM 163 CG GLU A 12 17.894 -4.257 11.355 1.00 0.41 C ATOM 164 CD GLU A 12 19.056 -3.510 12.012 1.00 0.51 C ATOM 165 OE1 GLU A 12 18.865 -3.000 13.103 1.00 1.11 O ATOM 166 OE2 GLU A 12 20.118 -3.464 11.413 1.00 1.03 O ATOM 0 H GLU A 12 17.172 -0.841 10.429 1.00 0.38 H new ATOM 0 HA GLU A 12 17.894 -3.328 9.086 1.00 0.40 H new ATOM 0 HB2 GLU A 12 16.803 -2.414 11.642 1.00 0.42 H new ATOM 0 HB3 GLU A 12 15.828 -3.726 11.011 1.00 0.42 H new ATOM 0 HG2 GLU A 12 17.485 -4.994 12.045 1.00 0.41 H new ATOM 0 HG3 GLU A 12 18.246 -4.802 10.479 1.00 0.41 H new ATOM 173 N ILE A 13 14.680 -2.546 9.187 1.00 0.40 N ATOM 174 CA ILE A 13 13.421 -2.722 8.416 1.00 0.39 C ATOM 175 C ILE A 13 13.569 -2.090 7.031 1.00 0.35 C ATOM 176 O ILE A 13 13.851 -0.916 6.898 1.00 0.47 O ATOM 177 CB ILE A 13 12.253 -2.063 9.156 1.00 0.47 C ATOM 178 CG1 ILE A 13 12.293 -2.444 10.636 1.00 0.50 C ATOM 179 CG2 ILE A 13 10.932 -2.547 8.556 1.00 0.55 C ATOM 180 CD1 ILE A 13 10.868 -2.733 11.121 1.00 0.20 C ATOM 0 H ILE A 13 14.576 -2.092 10.095 1.00 0.40 H new ATOM 0 HA ILE A 13 13.220 -3.788 8.309 1.00 0.39 H new ATOM 0 HB ILE A 13 12.334 -0.981 9.055 1.00 0.47 H new ATOM 0 HG12 ILE A 13 12.924 -3.321 10.781 1.00 0.50 H new ATOM 0 HG13 ILE A 13 12.732 -1.635 11.220 1.00 0.50 H new ATOM 0 HG21 ILE A 13 10.100 -2.079 9.082 1.00 0.55 H new ATOM 0 HG22 ILE A 13 10.892 -2.278 7.501 1.00 0.55 H new ATOM 0 HG23 ILE A 13 10.862 -3.630 8.657 1.00 0.55 H new ATOM 0 HD11 ILE A 13 10.891 -3.005 12.176 1.00 0.20 H new ATOM 0 HD12 ILE A 13 10.251 -1.844 10.989 1.00 0.20 H new ATOM 0 HD13 ILE A 13 10.447 -3.556 10.543 1.00 0.20 H new ATOM 192 N LYS A 14 13.373 -2.864 5.996 1.00 0.29 N ATOM 193 CA LYS A 14 13.491 -2.316 4.619 1.00 0.27 C ATOM 194 C LYS A 14 12.371 -1.313 4.389 1.00 0.19 C ATOM 195 O LYS A 14 12.504 -0.394 3.608 1.00 0.51 O ATOM 196 CB LYS A 14 13.340 -3.450 3.602 1.00 0.62 C ATOM 197 CG LYS A 14 14.349 -4.553 3.906 1.00 0.86 C ATOM 198 CD LYS A 14 15.750 -4.065 3.543 1.00 0.91 C ATOM 199 CE LYS A 14 16.554 -3.834 4.822 1.00 0.90 C ATOM 200 NZ LYS A 14 16.718 -2.370 5.046 1.00 1.91 N ATOM 0 H LYS A 14 13.136 -3.855 6.049 1.00 0.29 H new ATOM 0 HA LYS A 14 14.463 -1.838 4.501 1.00 0.27 H new ATOM 0 HB2 LYS A 14 12.327 -3.851 3.638 1.00 0.62 H new ATOM 0 HB3 LYS A 14 13.496 -3.069 2.593 1.00 0.62 H new ATOM 0 HG2 LYS A 14 14.306 -4.821 4.962 1.00 0.86 H new ATOM 0 HG3 LYS A 14 14.106 -5.452 3.339 1.00 0.86 H new ATOM 0 HD2 LYS A 14 16.251 -4.800 2.913 1.00 0.91 H new ATOM 0 HD3 LYS A 14 15.688 -3.141 2.968 1.00 0.91 H new ATOM 0 HE2 LYS A 14 16.045 -4.288 5.672 1.00 0.90 H new ATOM 0 HE3 LYS A 14 17.530 -4.312 4.742 1.00 0.90 H new ATOM 0 HZ1 LYS A 14 17.714 -2.161 5.259 1.00 1.91 H new ATOM 0 HZ2 LYS A 14 16.431 -1.854 4.190 1.00 1.91 H new ATOM 0 HZ3 LYS A 14 16.123 -2.072 5.846 1.00 1.91 H new ATOM 214 N LYS A 15 11.269 -1.494 5.067 1.00 0.13 N ATOM 215 CA LYS A 15 10.111 -0.579 4.904 1.00 0.38 C ATOM 216 C LYS A 15 8.897 -1.246 5.536 1.00 0.27 C ATOM 217 O LYS A 15 8.643 -2.417 5.335 1.00 0.19 O ATOM 218 CB LYS A 15 9.811 -0.338 3.421 1.00 0.71 C ATOM 219 CG LYS A 15 9.312 -1.639 2.793 1.00 0.90 C ATOM 220 CD LYS A 15 9.221 -1.467 1.277 1.00 0.94 C ATOM 221 CE LYS A 15 9.591 -2.780 0.584 1.00 0.67 C ATOM 222 NZ LYS A 15 9.032 -2.782 -0.798 1.00 0.61 N ATOM 0 H LYS A 15 11.124 -2.250 5.736 1.00 0.13 H new ATOM 0 HA LYS A 15 10.338 0.377 5.376 1.00 0.38 H new ATOM 0 HB2 LYS A 15 9.060 0.444 3.312 1.00 0.71 H new ATOM 0 HB3 LYS A 15 10.708 0.007 2.907 1.00 0.71 H new ATOM 0 HG2 LYS A 15 9.989 -2.457 3.037 1.00 0.90 H new ATOM 0 HG3 LYS A 15 8.335 -1.901 3.200 1.00 0.90 H new ATOM 0 HD2 LYS A 15 8.211 -1.168 0.996 1.00 0.94 H new ATOM 0 HD3 LYS A 15 9.891 -0.672 0.951 1.00 0.94 H new ATOM 0 HE2 LYS A 15 10.674 -2.894 0.551 1.00 0.67 H new ATOM 0 HE3 LYS A 15 9.199 -3.626 1.149 1.00 0.67 H new ATOM 0 HZ1 LYS A 15 9.282 -3.673 -1.272 1.00 0.61 H new ATOM 0 HZ2 LYS A 15 7.997 -2.691 -0.754 1.00 0.61 H new ATOM 0 HZ3 LYS A 15 9.427 -1.983 -1.333 1.00 0.61 H new ATOM 236 N VAL A 16 8.144 -0.517 6.290 1.00 0.36 N ATOM 237 CA VAL A 16 6.946 -1.111 6.932 1.00 0.29 C ATOM 238 C VAL A 16 5.696 -0.491 6.306 1.00 0.32 C ATOM 239 O VAL A 16 5.496 0.707 6.349 1.00 0.54 O ATOM 240 CB VAL A 16 7.007 -0.826 8.429 1.00 0.37 C ATOM 241 CG1 VAL A 16 5.899 0.154 8.823 1.00 0.41 C ATOM 242 CG2 VAL A 16 6.832 -2.132 9.207 1.00 0.36 C ATOM 0 H VAL A 16 8.303 0.470 6.494 1.00 0.36 H new ATOM 0 HA VAL A 16 6.913 -2.190 6.780 1.00 0.29 H new ATOM 0 HB VAL A 16 7.975 -0.385 8.667 1.00 0.37 H new ATOM 0 HG11 VAL A 16 5.951 0.351 9.894 1.00 0.41 H new ATOM 0 HG12 VAL A 16 6.028 1.088 8.276 1.00 0.41 H new ATOM 0 HG13 VAL A 16 4.928 -0.278 8.580 1.00 0.41 H new ATOM 0 HG21 VAL A 16 6.876 -1.927 10.277 1.00 0.36 H new ATOM 0 HG22 VAL A 16 5.867 -2.575 8.962 1.00 0.36 H new ATOM 0 HG23 VAL A 16 7.629 -2.826 8.938 1.00 0.36 H new ATOM 252 N MET A 17 4.869 -1.295 5.698 1.00 0.15 N ATOM 253 CA MET A 17 3.649 -0.749 5.039 1.00 0.16 C ATOM 254 C MET A 17 2.398 -1.134 5.827 1.00 0.17 C ATOM 255 O MET A 17 2.381 -2.104 6.559 1.00 0.16 O ATOM 256 CB MET A 17 3.545 -1.326 3.625 1.00 0.15 C ATOM 257 CG MET A 17 4.915 -1.272 2.948 1.00 0.15 C ATOM 258 SD MET A 17 5.308 -2.895 2.249 1.00 0.04 S ATOM 259 CE MET A 17 5.942 -3.647 3.768 1.00 0.32 C ATOM 0 H MET A 17 4.985 -2.306 5.629 1.00 0.15 H new ATOM 0 HA MET A 17 3.723 0.338 5.002 1.00 0.16 H new ATOM 0 HB2 MET A 17 3.189 -2.355 3.666 1.00 0.15 H new ATOM 0 HB3 MET A 17 2.818 -0.760 3.043 1.00 0.15 H new ATOM 0 HG2 MET A 17 4.915 -0.516 2.162 1.00 0.15 H new ATOM 0 HG3 MET A 17 5.678 -0.981 3.670 1.00 0.15 H new ATOM 0 HE1 MET A 17 6.576 -4.497 3.516 1.00 0.32 H new ATOM 0 HE2 MET A 17 6.525 -2.911 4.322 1.00 0.32 H new ATOM 0 HE3 MET A 17 5.108 -3.986 4.382 1.00 0.32 H new ATOM 269 N VAL A 18 1.342 -0.383 5.663 1.00 0.18 N ATOM 270 CA VAL A 18 0.072 -0.698 6.375 1.00 0.20 C ATOM 271 C VAL A 18 -1.041 -0.844 5.338 1.00 0.18 C ATOM 272 O VAL A 18 -1.086 -0.118 4.365 1.00 0.18 O ATOM 273 CB VAL A 18 -0.279 0.441 7.332 1.00 0.23 C ATOM 274 CG1 VAL A 18 -1.548 0.084 8.112 1.00 0.27 C ATOM 275 CG2 VAL A 18 0.878 0.662 8.309 1.00 0.31 C ATOM 0 H VAL A 18 1.306 0.440 5.062 1.00 0.18 H new ATOM 0 HA VAL A 18 0.185 -1.621 6.944 1.00 0.20 H new ATOM 0 HB VAL A 18 -0.451 1.354 6.761 1.00 0.23 H new ATOM 0 HG11 VAL A 18 -1.797 0.897 8.794 1.00 0.27 H new ATOM 0 HG12 VAL A 18 -2.372 -0.070 7.415 1.00 0.27 H new ATOM 0 HG13 VAL A 18 -1.379 -0.829 8.683 1.00 0.27 H new ATOM 0 HG21 VAL A 18 0.628 1.474 8.991 1.00 0.31 H new ATOM 0 HG22 VAL A 18 1.052 -0.250 8.879 1.00 0.31 H new ATOM 0 HG23 VAL A 18 1.779 0.920 7.753 1.00 0.31 H new ATOM 285 N ASP A 19 -1.934 -1.772 5.524 1.00 0.22 N ATOM 286 CA ASP A 19 -3.030 -1.945 4.529 1.00 0.30 C ATOM 287 C ASP A 19 -4.174 -0.983 4.857 1.00 0.30 C ATOM 288 O ASP A 19 -5.149 -1.355 5.480 1.00 0.29 O ATOM 289 CB ASP A 19 -3.542 -3.386 4.573 1.00 0.33 C ATOM 290 CG ASP A 19 -4.180 -3.740 3.227 1.00 0.46 C ATOM 291 OD1 ASP A 19 -4.203 -2.881 2.362 1.00 0.57 O ATOM 292 OD2 ASP A 19 -4.633 -4.864 3.085 1.00 0.46 O ATOM 0 H ASP A 19 -1.955 -2.415 6.315 1.00 0.22 H new ATOM 0 HA ASP A 19 -2.650 -1.729 3.531 1.00 0.30 H new ATOM 0 HB2 ASP A 19 -2.721 -4.069 4.789 1.00 0.33 H new ATOM 0 HB3 ASP A 19 -4.271 -3.500 5.375 1.00 0.33 H new ATOM 297 N GLY A 20 -4.068 0.253 4.439 1.00 0.37 N ATOM 298 CA GLY A 20 -5.156 1.231 4.728 1.00 0.45 C ATOM 299 C GLY A 20 -4.612 2.662 4.639 1.00 0.35 C ATOM 300 O GLY A 20 -4.909 3.393 3.714 1.00 0.45 O ATOM 0 H GLY A 20 -3.278 0.625 3.912 1.00 0.37 H new ATOM 0 HA2 GLY A 20 -5.973 1.099 4.019 1.00 0.45 H new ATOM 0 HA3 GLY A 20 -5.565 1.050 5.722 1.00 0.45 H new ATOM 304 N CYS A 21 -3.827 3.070 5.599 1.00 0.20 N ATOM 305 CA CYS A 21 -3.272 4.455 5.582 1.00 0.11 C ATOM 306 C CYS A 21 -2.599 4.741 4.239 1.00 0.21 C ATOM 307 O CYS A 21 -2.311 3.844 3.470 1.00 0.32 O ATOM 308 CB CYS A 21 -2.239 4.600 6.698 1.00 0.28 C ATOM 309 SG CYS A 21 -2.981 5.454 8.105 1.00 1.70 S ATOM 0 H CYS A 21 -3.545 2.502 6.398 1.00 0.20 H new ATOM 0 HA CYS A 21 -4.087 5.163 5.731 1.00 0.11 H new ATOM 0 HB2 CYS A 21 -1.880 3.618 7.004 1.00 0.28 H new ATOM 0 HB3 CYS A 21 -1.374 5.157 6.337 1.00 0.28 H new ATOM 314 N HIS A 22 -2.342 5.990 3.957 1.00 0.29 N ATOM 315 CA HIS A 22 -1.683 6.350 2.671 1.00 0.49 C ATOM 316 C HIS A 22 -0.231 6.752 2.939 1.00 0.52 C ATOM 317 O HIS A 22 0.524 7.031 2.029 1.00 0.78 O ATOM 318 CB HIS A 22 -2.422 7.532 2.033 1.00 0.63 C ATOM 319 CG HIS A 22 -3.299 7.044 0.913 1.00 0.57 C ATOM 320 ND1 HIS A 22 -3.574 7.824 -0.199 1.00 1.08 N ATOM 321 CD2 HIS A 22 -3.969 5.861 0.715 1.00 0.83 C ATOM 322 CE1 HIS A 22 -4.376 7.109 -1.009 1.00 1.67 C ATOM 323 NE2 HIS A 22 -4.648 5.905 -0.499 1.00 1.48 N ATOM 0 H HIS A 22 -2.562 6.779 4.565 1.00 0.29 H new ATOM 0 HA HIS A 22 -1.709 5.493 1.998 1.00 0.49 H new ATOM 0 HB2 HIS A 22 -3.026 8.042 2.783 1.00 0.63 H new ATOM 0 HB3 HIS A 22 -1.704 8.259 1.654 1.00 0.63 H new ATOM 0 HD2 HIS A 22 -3.969 5.024 1.398 1.00 0.83 H new ATOM 0 HE1 HIS A 22 -4.754 7.465 -1.956 1.00 1.67 H new ATOM 0 HE2 HIS A 22 -5.229 5.175 -0.911 1.00 1.48 H new ATOM 331 N GLY A 23 0.168 6.790 4.182 1.00 0.29 N ATOM 332 CA GLY A 23 1.569 7.182 4.506 1.00 0.33 C ATOM 333 C GLY A 23 1.612 8.676 4.833 1.00 0.34 C ATOM 334 O GLY A 23 0.934 9.143 5.727 1.00 0.58 O ATOM 0 H GLY A 23 -0.417 6.566 4.987 1.00 0.29 H new ATOM 0 HA2 GLY A 23 1.935 6.602 5.353 1.00 0.33 H new ATOM 0 HA3 GLY A 23 2.224 6.963 3.663 1.00 0.33 H new ATOM 338 N SER A 24 2.402 9.428 4.111 1.00 0.26 N ATOM 339 CA SER A 24 2.492 10.896 4.371 1.00 0.35 C ATOM 340 C SER A 24 1.093 11.449 4.662 1.00 0.31 C ATOM 341 O SER A 24 0.907 12.262 5.545 1.00 0.49 O ATOM 342 CB SER A 24 3.075 11.593 3.140 1.00 0.48 C ATOM 343 OG SER A 24 3.361 12.949 3.457 1.00 0.93 O ATOM 0 H SER A 24 2.990 9.088 3.350 1.00 0.26 H new ATOM 0 HA SER A 24 3.137 11.077 5.230 1.00 0.35 H new ATOM 0 HB2 SER A 24 3.983 11.084 2.816 1.00 0.48 H new ATOM 0 HB3 SER A 24 2.369 11.543 2.311 1.00 0.48 H new ATOM 0 HG SER A 24 3.736 13.397 2.670 1.00 0.93 H new ATOM 349 N ASP A 25 0.108 11.000 3.933 1.00 0.38 N ATOM 350 CA ASP A 25 -1.284 11.482 4.169 1.00 0.65 C ATOM 351 C ASP A 25 -1.613 11.341 5.661 1.00 0.80 C ATOM 352 O ASP A 25 -0.790 10.889 6.430 1.00 0.85 O ATOM 353 CB ASP A 25 -2.246 10.625 3.342 1.00 0.63 C ATOM 354 CG ASP A 25 -2.991 11.510 2.340 1.00 0.96 C ATOM 355 OD1 ASP A 25 -2.382 12.434 1.827 1.00 1.41 O ATOM 356 OD2 ASP A 25 -4.160 11.248 2.105 1.00 0.77 O ATOM 0 H ASP A 25 0.207 10.318 3.181 1.00 0.38 H new ATOM 0 HA ASP A 25 -1.381 12.527 3.875 1.00 0.65 H new ATOM 0 HB2 ASP A 25 -1.694 9.847 2.815 1.00 0.63 H new ATOM 0 HB3 ASP A 25 -2.957 10.123 3.998 1.00 0.63 H new ATOM 361 N PRO A 26 -2.809 11.729 6.028 1.00 1.03 N ATOM 362 CA PRO A 26 -3.267 11.648 7.427 1.00 1.20 C ATOM 363 C PRO A 26 -3.617 10.201 7.790 1.00 0.83 C ATOM 364 O PRO A 26 -4.148 9.459 6.987 1.00 0.60 O ATOM 365 CB PRO A 26 -4.507 12.546 7.453 1.00 1.57 C ATOM 366 CG PRO A 26 -5.007 12.642 5.993 1.00 1.59 C ATOM 367 CD PRO A 26 -3.812 12.278 5.093 1.00 1.27 C ATOM 0 HA PRO A 26 -2.512 11.962 8.148 1.00 1.20 H new ATOM 0 HB2 PRO A 26 -5.277 12.126 8.100 1.00 1.57 H new ATOM 0 HB3 PRO A 26 -4.263 13.533 7.846 1.00 1.57 H new ATOM 0 HG2 PRO A 26 -5.841 11.961 5.824 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -5.366 13.647 5.772 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -4.092 11.547 4.335 1.00 1.27 H new ATOM 0 HD3 PRO A 26 -3.429 13.152 4.566 1.00 1.27 H new ATOM 375 N CYS A 27 -3.315 9.794 8.993 1.00 0.86 N ATOM 376 CA CYS A 27 -3.615 8.394 9.409 1.00 0.63 C ATOM 377 C CYS A 27 -4.678 8.399 10.507 1.00 0.59 C ATOM 378 O CYS A 27 -4.482 8.953 11.568 1.00 0.65 O ATOM 379 CB CYS A 27 -2.340 7.751 9.957 1.00 0.96 C ATOM 380 SG CYS A 27 -1.555 6.772 8.659 1.00 0.35 S ATOM 0 H CYS A 27 -2.872 10.372 9.707 1.00 0.86 H new ATOM 0 HA CYS A 27 -3.980 7.832 8.550 1.00 0.63 H new ATOM 0 HB2 CYS A 27 -1.655 8.521 10.311 1.00 0.96 H new ATOM 0 HB3 CYS A 27 -2.578 7.118 10.812 1.00 0.96 H new ATOM 385 N ILE A 28 -5.799 7.778 10.271 1.00 0.49 N ATOM 386 CA ILE A 28 -6.857 7.742 11.315 1.00 0.45 C ATOM 387 C ILE A 28 -7.000 6.314 11.827 1.00 0.48 C ATOM 388 O ILE A 28 -7.509 5.448 11.144 1.00 0.57 O ATOM 389 CB ILE A 28 -8.191 8.195 10.734 1.00 0.42 C ATOM 390 CG1 ILE A 28 -8.066 9.632 10.225 1.00 0.42 C ATOM 391 CG2 ILE A 28 -9.257 8.135 11.831 1.00 0.40 C ATOM 392 CD1 ILE A 28 -7.457 10.509 11.320 1.00 0.48 C ATOM 0 H ILE A 28 -6.027 7.295 9.402 1.00 0.49 H new ATOM 0 HA ILE A 28 -6.577 8.412 12.128 1.00 0.45 H new ATOM 0 HB ILE A 28 -8.473 7.543 9.907 1.00 0.42 H new ATOM 0 HG12 ILE A 28 -7.441 9.660 9.332 1.00 0.42 H new ATOM 0 HG13 ILE A 28 -9.046 10.015 9.940 1.00 0.42 H new ATOM 0 HG21 ILE A 28 -10.216 8.458 11.425 1.00 0.40 H new ATOM 0 HG22 ILE A 28 -9.344 7.112 12.198 1.00 0.40 H new ATOM 0 HG23 ILE A 28 -8.971 8.792 12.652 1.00 0.40 H new ATOM 0 HD11 ILE A 28 -7.368 11.533 10.958 1.00 0.48 H new ATOM 0 HD12 ILE A 28 -8.099 10.490 12.201 1.00 0.48 H new ATOM 0 HD13 ILE A 28 -6.470 10.130 11.583 1.00 0.48 H new ATOM 404 N ILE A 29 -6.558 6.058 13.021 1.00 0.44 N ATOM 405 CA ILE A 29 -6.676 4.683 13.565 1.00 0.47 C ATOM 406 C ILE A 29 -7.956 4.572 14.391 1.00 0.44 C ATOM 407 O ILE A 29 -8.129 5.251 15.384 1.00 0.41 O ATOM 408 CB ILE A 29 -5.464 4.381 14.444 1.00 0.47 C ATOM 409 CG1 ILE A 29 -4.258 4.086 13.547 1.00 0.66 C ATOM 410 CG2 ILE A 29 -5.761 3.162 15.320 1.00 0.57 C ATOM 411 CD1 ILE A 29 -2.965 4.475 14.266 1.00 0.28 C ATOM 0 H ILE A 29 -6.121 6.739 13.642 1.00 0.44 H new ATOM 0 HA ILE A 29 -6.714 3.965 12.746 1.00 0.47 H new ATOM 0 HB ILE A 29 -5.247 5.238 15.081 1.00 0.47 H new ATOM 0 HG12 ILE A 29 -4.236 3.027 13.289 1.00 0.66 H new ATOM 0 HG13 ILE A 29 -4.345 4.640 12.612 1.00 0.66 H new ATOM 0 HG21 ILE A 29 -4.897 2.946 15.948 1.00 0.57 H new ATOM 0 HG22 ILE A 29 -6.625 3.369 15.951 1.00 0.57 H new ATOM 0 HG23 ILE A 29 -5.973 2.301 14.686 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -2.112 4.262 13.622 1.00 0.28 H new ATOM 0 HD12 ILE A 29 -2.985 5.539 14.501 1.00 0.28 H new ATOM 0 HD13 ILE A 29 -2.875 3.901 15.188 1.00 0.28 H new ATOM 423 N HIS A 30 -8.851 3.710 13.995 1.00 0.46 N ATOM 424 CA HIS A 30 -10.112 3.545 14.764 1.00 0.44 C ATOM 425 C HIS A 30 -9.895 2.444 15.803 1.00 0.51 C ATOM 426 O HIS A 30 -9.675 1.299 15.460 1.00 0.71 O ATOM 427 CB HIS A 30 -11.247 3.135 13.823 1.00 0.45 C ATOM 428 CG HIS A 30 -11.496 4.231 12.824 1.00 0.44 C ATOM 429 ND1 HIS A 30 -12.753 4.783 12.632 1.00 0.38 N ATOM 430 CD2 HIS A 30 -10.661 4.888 11.956 1.00 0.85 C ATOM 431 CE1 HIS A 30 -12.639 5.729 11.681 1.00 0.69 C ATOM 432 NE2 HIS A 30 -11.384 5.834 11.235 1.00 0.98 N ATOM 0 H HIS A 30 -8.762 3.114 13.172 1.00 0.46 H new ATOM 0 HA HIS A 30 -10.378 4.484 15.249 1.00 0.44 H new ATOM 0 HB2 HIS A 30 -10.989 2.211 13.307 1.00 0.45 H new ATOM 0 HB3 HIS A 30 -12.154 2.938 14.395 1.00 0.45 H new ATOM 0 HD2 HIS A 30 -9.603 4.700 11.848 1.00 0.85 H new ATOM 0 HE1 HIS A 30 -13.462 6.330 11.322 1.00 0.69 H new ATOM 0 HE2 HIS A 30 -11.032 6.470 10.520 1.00 0.98 H new ATOM 440 N ARG A 31 -9.936 2.767 17.064 1.00 0.47 N ATOM 441 CA ARG A 31 -9.708 1.714 18.090 1.00 0.58 C ATOM 442 C ARG A 31 -10.720 0.584 17.910 1.00 0.63 C ATOM 443 O ARG A 31 -11.767 0.758 17.319 1.00 0.90 O ATOM 444 CB ARG A 31 -9.842 2.303 19.487 1.00 0.56 C ATOM 445 CG ARG A 31 -11.165 3.047 19.601 1.00 0.46 C ATOM 446 CD ARG A 31 -11.007 4.145 20.640 1.00 0.48 C ATOM 447 NE ARG A 31 -12.336 4.481 21.219 1.00 0.39 N ATOM 448 CZ ARG A 31 -12.433 5.416 22.122 1.00 0.64 C ATOM 449 NH1 ARG A 31 -11.998 6.619 21.861 1.00 1.14 N ATOM 450 NH2 ARG A 31 -12.958 5.148 23.286 1.00 0.81 N ATOM 0 H ARG A 31 -10.115 3.704 17.426 1.00 0.47 H new ATOM 0 HA ARG A 31 -8.700 1.318 17.967 1.00 0.58 H new ATOM 0 HB2 ARG A 31 -9.793 1.510 20.233 1.00 0.56 H new ATOM 0 HB3 ARG A 31 -9.013 2.981 19.688 1.00 0.56 H new ATOM 0 HG2 ARG A 31 -11.445 3.473 18.638 1.00 0.46 H new ATOM 0 HG3 ARG A 31 -11.962 2.362 19.890 1.00 0.46 H new ATOM 0 HD2 ARG A 31 -10.328 3.819 21.428 1.00 0.48 H new ATOM 0 HD3 ARG A 31 -10.564 5.030 20.184 1.00 0.48 H new ATOM 0 HE ARG A 31 -13.169 3.981 20.910 1.00 0.39 H new ATOM 0 HH11 ARG A 31 -11.583 6.825 20.952 1.00 1.14 H new ATOM 0 HH12 ARG A 31 -12.073 7.352 22.566 1.00 1.14 H new ATOM 0 HH21 ARG A 31 -13.293 4.206 23.490 1.00 0.81 H new ATOM 0 HH22 ARG A 31 -13.034 5.880 23.992 1.00 0.81 H new ATOM 464 N GLY A 32 -10.411 -0.576 18.417 1.00 0.42 N ATOM 465 CA GLY A 32 -11.347 -1.725 18.279 1.00 0.46 C ATOM 466 C GLY A 32 -11.064 -2.459 16.966 1.00 0.40 C ATOM 467 O GLY A 32 -11.446 -3.599 16.785 1.00 0.41 O ATOM 0 H GLY A 32 -9.548 -0.778 18.922 1.00 0.42 H new ATOM 0 HA2 GLY A 32 -11.230 -2.407 19.122 1.00 0.46 H new ATOM 0 HA3 GLY A 32 -12.378 -1.372 18.296 1.00 0.46 H new ATOM 471 N LYS A 33 -10.404 -1.812 16.043 1.00 0.37 N ATOM 472 CA LYS A 33 -10.103 -2.466 14.739 1.00 0.36 C ATOM 473 C LYS A 33 -8.659 -2.965 14.721 1.00 0.25 C ATOM 474 O LYS A 33 -7.802 -2.416 15.385 1.00 0.15 O ATOM 475 CB LYS A 33 -10.286 -1.449 13.615 1.00 0.42 C ATOM 476 CG LYS A 33 -8.916 -0.902 13.202 1.00 0.29 C ATOM 477 CD LYS A 33 -9.091 0.442 12.496 1.00 0.32 C ATOM 478 CE LYS A 33 -10.082 0.292 11.343 1.00 0.61 C ATOM 479 NZ LYS A 33 -9.342 -0.113 10.115 1.00 1.09 N ATOM 0 H LYS A 33 -10.060 -0.856 16.137 1.00 0.37 H new ATOM 0 HA LYS A 33 -10.779 -3.310 14.601 1.00 0.36 H new ATOM 0 HB2 LYS A 33 -10.776 -1.917 12.761 1.00 0.42 H new ATOM 0 HB3 LYS A 33 -10.931 -0.635 13.946 1.00 0.42 H new ATOM 0 HG2 LYS A 33 -8.281 -0.783 14.080 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -8.415 -1.609 12.540 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -9.450 1.191 13.202 1.00 0.32 H new ATOM 0 HD3 LYS A 33 -8.131 0.794 12.119 1.00 0.32 H new ATOM 0 HE2 LYS A 33 -10.837 -0.454 11.591 1.00 0.61 H new ATOM 0 HE3 LYS A 33 -10.607 1.232 11.173 1.00 0.61 H new ATOM 0 HZ1 LYS A 33 -10.011 -0.217 9.325 1.00 1.09 H new ATOM 0 HZ2 LYS A 33 -8.637 0.614 9.878 1.00 1.09 H new ATOM 0 HZ3 LYS A 33 -8.861 -1.019 10.283 1.00 1.09 H new ATOM 493 N PRO A 34 -8.437 -3.988 13.945 1.00 0.30 N ATOM 494 CA PRO A 34 -7.108 -4.595 13.787 1.00 0.28 C ATOM 495 C PRO A 34 -6.261 -3.798 12.787 1.00 0.29 C ATOM 496 O PRO A 34 -6.614 -3.658 11.633 1.00 0.30 O ATOM 497 CB PRO A 34 -7.419 -5.988 13.235 1.00 0.37 C ATOM 498 CG PRO A 34 -8.816 -5.891 12.570 1.00 0.46 C ATOM 499 CD PRO A 34 -9.500 -4.642 13.156 1.00 0.43 C ATOM 0 HA PRO A 34 -6.538 -4.618 14.716 1.00 0.28 H new ATOM 0 HB2 PRO A 34 -6.665 -6.297 12.511 1.00 0.37 H new ATOM 0 HB3 PRO A 34 -7.419 -6.731 14.032 1.00 0.37 H new ATOM 0 HG2 PRO A 34 -8.724 -5.809 11.487 1.00 0.46 H new ATOM 0 HG3 PRO A 34 -9.404 -6.786 12.774 1.00 0.46 H new ATOM 0 HD2 PRO A 34 -9.874 -3.986 12.370 1.00 0.43 H new ATOM 0 HD3 PRO A 34 -10.353 -4.910 13.780 1.00 0.43 H new ATOM 507 N PHE A 35 -5.137 -3.294 13.216 1.00 0.31 N ATOM 508 CA PHE A 35 -4.255 -2.528 12.292 1.00 0.32 C ATOM 509 C PHE A 35 -3.184 -3.480 11.771 1.00 0.28 C ATOM 510 O PHE A 35 -2.447 -4.071 12.533 1.00 0.36 O ATOM 511 CB PHE A 35 -3.591 -1.379 13.049 1.00 0.42 C ATOM 512 CG PHE A 35 -3.329 -0.228 12.110 1.00 0.40 C ATOM 513 CD1 PHE A 35 -4.390 0.572 11.671 1.00 0.39 C ATOM 514 CD2 PHE A 35 -2.023 0.044 11.683 1.00 0.41 C ATOM 515 CE1 PHE A 35 -4.146 1.644 10.805 1.00 0.38 C ATOM 516 CE2 PHE A 35 -1.779 1.116 10.817 1.00 0.41 C ATOM 517 CZ PHE A 35 -2.841 1.916 10.378 1.00 0.40 C ATOM 0 H PHE A 35 -4.790 -3.380 14.171 1.00 0.31 H new ATOM 0 HA PHE A 35 -4.836 -2.116 11.467 1.00 0.32 H new ATOM 0 HB2 PHE A 35 -4.232 -1.053 13.868 1.00 0.42 H new ATOM 0 HB3 PHE A 35 -2.655 -1.718 13.493 1.00 0.42 H new ATOM 0 HD1 PHE A 35 -5.397 0.362 12.000 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -1.204 -0.573 12.022 1.00 0.41 H new ATOM 0 HE1 PHE A 35 -4.965 2.261 10.466 1.00 0.38 H new ATOM 0 HE2 PHE A 35 -0.772 1.326 10.488 1.00 0.41 H new ATOM 0 HZ PHE A 35 -2.653 2.743 9.710 1.00 0.40 H new ATOM 527 N THR A 36 -3.102 -3.657 10.487 1.00 0.23 N ATOM 528 CA THR A 36 -2.092 -4.603 9.947 1.00 0.29 C ATOM 529 C THR A 36 -0.877 -3.847 9.420 1.00 0.26 C ATOM 530 O THR A 36 -0.991 -2.869 8.708 1.00 0.24 O ATOM 531 CB THR A 36 -2.718 -5.419 8.817 1.00 0.40 C ATOM 532 OG1 THR A 36 -4.060 -5.741 9.159 1.00 0.93 O ATOM 533 CG2 THR A 36 -1.917 -6.708 8.613 1.00 0.39 C ATOM 0 H THR A 36 -3.685 -3.192 9.791 1.00 0.23 H new ATOM 0 HA THR A 36 -1.767 -5.267 10.748 1.00 0.29 H new ATOM 0 HB THR A 36 -2.706 -4.837 7.895 1.00 0.40 H new ATOM 0 HG1 THR A 36 -4.466 -6.263 8.436 1.00 0.93 H new ATOM 0 HG21 THR A 36 -2.364 -7.290 7.807 1.00 0.39 H new ATOM 0 HG22 THR A 36 -0.888 -6.460 8.354 1.00 0.39 H new ATOM 0 HG23 THR A 36 -1.929 -7.293 9.533 1.00 0.39 H new ATOM 541 N LEU A 37 0.288 -4.315 9.754 1.00 0.26 N ATOM 542 CA LEU A 37 1.526 -3.662 9.268 1.00 0.23 C ATOM 543 C LEU A 37 2.569 -4.744 9.016 1.00 0.17 C ATOM 544 O LEU A 37 2.890 -5.527 9.888 1.00 0.14 O ATOM 545 CB LEU A 37 2.073 -2.648 10.293 1.00 0.21 C ATOM 546 CG LEU A 37 1.635 -2.982 11.732 1.00 0.36 C ATOM 547 CD1 LEU A 37 0.113 -2.876 11.874 1.00 0.51 C ATOM 548 CD2 LEU A 37 2.103 -4.390 12.113 1.00 0.68 C ATOM 0 H LEU A 37 0.436 -5.130 10.349 1.00 0.26 H new ATOM 0 HA LEU A 37 1.301 -3.116 8.352 1.00 0.23 H new ATOM 0 HB2 LEU A 37 3.162 -2.632 10.241 1.00 0.21 H new ATOM 0 HB3 LEU A 37 1.727 -1.648 10.032 1.00 0.21 H new ATOM 0 HG LEU A 37 2.095 -2.260 12.407 1.00 0.36 H new ATOM 0 HD11 LEU A 37 -0.175 -3.116 12.898 1.00 0.51 H new ATOM 0 HD12 LEU A 37 -0.205 -1.861 11.636 1.00 0.51 H new ATOM 0 HD13 LEU A 37 -0.366 -3.576 11.189 1.00 0.51 H new ATOM 0 HD21 LEU A 37 1.788 -4.615 13.132 1.00 0.68 H new ATOM 0 HD22 LEU A 37 1.665 -5.117 11.429 1.00 0.68 H new ATOM 0 HD23 LEU A 37 3.190 -4.442 12.050 1.00 0.68 H new ATOM 560 N GLU A 38 3.103 -4.796 7.833 1.00 0.18 N ATOM 561 CA GLU A 38 4.126 -5.828 7.529 1.00 0.15 C ATOM 562 C GLU A 38 5.493 -5.164 7.536 1.00 0.17 C ATOM 563 O GLU A 38 5.679 -4.104 6.971 1.00 0.11 O ATOM 564 CB GLU A 38 3.850 -6.434 6.154 1.00 0.18 C ATOM 565 CG GLU A 38 4.579 -7.771 6.030 1.00 0.59 C ATOM 566 CD GLU A 38 5.364 -7.801 4.718 1.00 1.40 C ATOM 567 OE1 GLU A 38 5.950 -6.786 4.380 1.00 1.64 O ATOM 568 OE2 GLU A 38 5.364 -8.836 4.074 1.00 1.93 O ATOM 0 H GLU A 38 2.875 -4.168 7.062 1.00 0.18 H new ATOM 0 HA GLU A 38 4.094 -6.622 8.275 1.00 0.15 H new ATOM 0 HB2 GLU A 38 2.778 -6.578 6.017 1.00 0.18 H new ATOM 0 HB3 GLU A 38 4.183 -5.752 5.371 1.00 0.18 H new ATOM 0 HG2 GLU A 38 5.255 -7.909 6.874 1.00 0.59 H new ATOM 0 HG3 GLU A 38 3.863 -8.592 6.057 1.00 0.59 H new ATOM 575 N ALA A 39 6.453 -5.758 8.183 1.00 0.27 N ATOM 576 CA ALA A 39 7.788 -5.125 8.227 1.00 0.31 C ATOM 577 C ALA A 39 8.869 -6.127 7.844 1.00 0.32 C ATOM 578 O ALA A 39 9.079 -7.120 8.513 1.00 0.27 O ATOM 579 CB ALA A 39 8.059 -4.623 9.641 1.00 0.31 C ATOM 0 H ALA A 39 6.369 -6.646 8.678 1.00 0.27 H new ATOM 0 HA ALA A 39 7.805 -4.296 7.519 1.00 0.31 H new ATOM 0 HB1 ALA A 39 9.043 -4.155 9.679 1.00 0.31 H new ATOM 0 HB2 ALA A 39 7.299 -3.893 9.920 1.00 0.31 H new ATOM 0 HB3 ALA A 39 8.029 -5.462 10.337 1.00 0.31 H new ATOM 585 N LEU A 40 9.593 -5.843 6.804 1.00 0.38 N ATOM 586 CA LEU A 40 10.703 -6.741 6.414 1.00 0.40 C ATOM 587 C LEU A 40 11.915 -6.221 7.162 1.00 0.37 C ATOM 588 O LEU A 40 12.063 -5.034 7.318 1.00 0.43 O ATOM 589 CB LEU A 40 10.957 -6.659 4.906 1.00 0.48 C ATOM 590 CG LEU A 40 9.655 -6.903 4.143 1.00 0.50 C ATOM 591 CD1 LEU A 40 9.775 -6.310 2.736 1.00 0.70 C ATOM 592 CD2 LEU A 40 9.405 -8.410 4.042 1.00 0.51 C ATOM 0 H LEU A 40 9.463 -5.026 6.207 1.00 0.38 H new ATOM 0 HA LEU A 40 10.480 -7.781 6.650 1.00 0.40 H new ATOM 0 HB2 LEU A 40 11.360 -5.679 4.649 1.00 0.48 H new ATOM 0 HB3 LEU A 40 11.703 -7.398 4.614 1.00 0.48 H new ATOM 0 HG LEU A 40 8.825 -6.430 4.668 1.00 0.50 H new ATOM 0 HD11 LEU A 40 8.848 -6.482 2.188 1.00 0.70 H new ATOM 0 HD12 LEU A 40 9.961 -5.238 2.807 1.00 0.70 H new ATOM 0 HD13 LEU A 40 10.601 -6.787 2.209 1.00 0.70 H new ATOM 0 HD21 LEU A 40 8.477 -8.589 3.499 1.00 0.51 H new ATOM 0 HD22 LEU A 40 10.233 -8.881 3.512 1.00 0.51 H new ATOM 0 HD23 LEU A 40 9.327 -8.834 5.043 1.00 0.51 H new ATOM 604 N PHE A 41 12.766 -7.063 7.655 1.00 0.29 N ATOM 605 CA PHE A 41 13.932 -6.529 8.409 1.00 0.25 C ATOM 606 C PHE A 41 15.063 -7.543 8.405 1.00 0.20 C ATOM 607 O PHE A 41 14.858 -8.722 8.598 1.00 0.18 O ATOM 608 CB PHE A 41 13.514 -6.231 9.850 1.00 0.22 C ATOM 609 CG PHE A 41 12.808 -7.428 10.425 1.00 0.17 C ATOM 610 CD1 PHE A 41 13.553 -8.454 11.006 1.00 0.12 C ATOM 611 CD2 PHE A 41 11.412 -7.507 10.381 1.00 0.18 C ATOM 612 CE1 PHE A 41 12.905 -9.568 11.547 1.00 0.10 C ATOM 613 CE2 PHE A 41 10.757 -8.621 10.921 1.00 0.15 C ATOM 614 CZ PHE A 41 11.505 -9.653 11.506 1.00 0.11 C ATOM 0 H PHE A 41 12.713 -8.078 7.574 1.00 0.29 H new ATOM 0 HA PHE A 41 14.277 -5.612 7.932 1.00 0.25 H new ATOM 0 HB2 PHE A 41 14.390 -5.989 10.451 1.00 0.22 H new ATOM 0 HB3 PHE A 41 12.858 -5.361 9.877 1.00 0.22 H new ATOM 0 HD1 PHE A 41 14.630 -8.388 11.038 1.00 0.12 H new ATOM 0 HD2 PHE A 41 10.840 -6.709 9.931 1.00 0.18 H new ATOM 0 HE1 PHE A 41 13.482 -10.363 11.996 1.00 0.10 H new ATOM 0 HE2 PHE A 41 9.679 -8.685 10.887 1.00 0.15 H new ATOM 0 HZ PHE A 41 11.004 -10.513 11.925 1.00 0.11 H new ATOM 624 N ASP A 42 16.263 -7.094 8.204 1.00 0.21 N ATOM 625 CA ASP A 42 17.402 -8.042 8.203 1.00 0.17 C ATOM 626 C ASP A 42 17.818 -8.301 9.642 1.00 0.14 C ATOM 627 O ASP A 42 18.312 -7.431 10.331 1.00 0.16 O ATOM 628 CB ASP A 42 18.577 -7.451 7.424 1.00 0.16 C ATOM 629 CG ASP A 42 18.111 -7.065 6.020 1.00 0.20 C ATOM 630 OD1 ASP A 42 17.098 -6.394 5.917 1.00 0.21 O ATOM 631 OD2 ASP A 42 18.775 -7.449 5.071 1.00 0.52 O ATOM 0 H ASP A 42 16.505 -6.117 8.041 1.00 0.21 H new ATOM 0 HA ASP A 42 17.104 -8.975 7.726 1.00 0.17 H new ATOM 0 HB2 ASP A 42 18.969 -6.576 7.943 1.00 0.16 H new ATOM 0 HB3 ASP A 42 19.389 -8.176 7.363 1.00 0.16 H new ATOM 636 N ALA A 43 17.608 -9.497 10.095 1.00 0.12 N ATOM 637 CA ALA A 43 17.969 -9.848 11.485 1.00 0.12 C ATOM 638 C ALA A 43 19.353 -9.291 11.810 1.00 0.12 C ATOM 639 O ALA A 43 20.345 -9.694 11.233 1.00 0.13 O ATOM 640 CB ALA A 43 18.000 -11.365 11.595 1.00 0.13 C ATOM 0 H ALA A 43 17.196 -10.256 9.553 1.00 0.12 H new ATOM 0 HA ALA A 43 17.243 -9.428 12.181 1.00 0.12 H new ATOM 0 HB1 ALA A 43 18.264 -11.651 12.613 1.00 0.13 H new ATOM 0 HB2 ALA A 43 17.018 -11.768 11.349 1.00 0.13 H new ATOM 0 HB3 ALA A 43 18.740 -11.765 10.902 1.00 0.13 H new ATOM 646 N ASN A 44 19.433 -8.376 12.734 1.00 0.09 N ATOM 647 CA ASN A 44 20.759 -7.808 13.096 1.00 0.09 C ATOM 648 C ASN A 44 21.475 -8.772 14.044 1.00 0.08 C ATOM 649 O ASN A 44 22.537 -8.479 14.560 1.00 0.07 O ATOM 650 CB ASN A 44 20.571 -6.454 13.785 1.00 0.07 C ATOM 651 CG ASN A 44 20.227 -6.675 15.259 1.00 0.03 C ATOM 652 OD1 ASN A 44 21.036 -7.179 16.013 1.00 0.08 O ATOM 653 ND2 ASN A 44 19.054 -6.318 15.704 1.00 0.07 N ATOM 0 H ASN A 44 18.640 -7.998 13.252 1.00 0.09 H new ATOM 0 HA ASN A 44 21.355 -7.669 12.194 1.00 0.09 H new ATOM 0 HB2 ASN A 44 21.481 -5.860 13.698 1.00 0.07 H new ATOM 0 HB3 ASN A 44 19.776 -5.892 13.295 1.00 0.07 H new ATOM 0 HD21 ASN A 44 18.815 -6.462 16.685 1.00 0.07 H new ATOM 0 HD22 ASN A 44 18.375 -5.895 15.071 1.00 0.07 H new ATOM 660 N GLN A 45 20.902 -9.923 14.275 1.00 0.09 N ATOM 661 CA GLN A 45 21.543 -10.910 15.182 1.00 0.09 C ATOM 662 C GLN A 45 20.812 -12.249 15.072 1.00 0.15 C ATOM 663 O GLN A 45 19.757 -12.343 14.477 1.00 0.26 O ATOM 664 CB GLN A 45 21.458 -10.411 16.616 1.00 0.08 C ATOM 665 CG GLN A 45 20.084 -10.762 17.184 1.00 0.18 C ATOM 666 CD GLN A 45 19.571 -9.606 18.045 1.00 0.30 C ATOM 667 OE1 GLN A 45 20.087 -8.508 17.978 1.00 0.31 O ATOM 668 NE2 GLN A 45 18.567 -9.807 18.854 1.00 0.53 N ATOM 0 H GLN A 45 20.014 -10.220 13.871 1.00 0.09 H new ATOM 0 HA GLN A 45 22.588 -11.037 14.900 1.00 0.09 H new ATOM 0 HB2 GLN A 45 22.243 -10.866 17.220 1.00 0.08 H new ATOM 0 HB3 GLN A 45 21.615 -9.333 16.649 1.00 0.08 H new ATOM 0 HG2 GLN A 45 19.385 -10.962 16.372 1.00 0.18 H new ATOM 0 HG3 GLN A 45 20.148 -11.672 17.781 1.00 0.18 H new ATOM 0 HE21 GLN A 45 18.134 -10.729 18.910 1.00 0.53 H new ATOM 0 HE22 GLN A 45 18.215 -9.042 19.430 1.00 0.53 H new ATOM 677 N ASN A 46 21.355 -13.282 15.651 1.00 0.13 N ATOM 678 CA ASN A 46 20.681 -14.609 15.590 1.00 0.19 C ATOM 679 C ASN A 46 19.963 -14.862 16.916 1.00 0.14 C ATOM 680 O ASN A 46 20.571 -14.871 17.968 1.00 0.13 O ATOM 681 CB ASN A 46 21.723 -15.701 15.351 1.00 0.27 C ATOM 682 CG ASN A 46 22.860 -15.555 16.364 1.00 0.52 C ATOM 683 OD1 ASN A 46 22.815 -16.134 17.432 1.00 0.62 O ATOM 684 ND2 ASN A 46 23.883 -14.799 16.075 1.00 0.87 N ATOM 0 H ASN A 46 22.236 -13.266 16.164 1.00 0.13 H new ATOM 0 HA ASN A 46 19.959 -14.621 14.773 1.00 0.19 H new ATOM 0 HB2 ASN A 46 21.262 -16.684 15.445 1.00 0.27 H new ATOM 0 HB3 ASN A 46 22.115 -15.628 14.336 1.00 0.27 H new ATOM 0 HD21 ASN A 46 24.645 -14.694 16.745 1.00 0.87 H new ATOM 0 HD22 ASN A 46 23.921 -14.313 15.179 1.00 0.87 H new ATOM 691 N THR A 47 18.676 -15.059 16.878 1.00 0.15 N ATOM 692 CA THR A 47 17.927 -15.300 18.141 1.00 0.10 C ATOM 693 C THR A 47 16.905 -16.421 17.934 1.00 0.07 C ATOM 694 O THR A 47 16.342 -16.577 16.869 1.00 0.27 O ATOM 695 CB THR A 47 17.211 -14.011 18.556 1.00 0.09 C ATOM 696 OG1 THR A 47 16.248 -14.301 19.558 1.00 0.14 O ATOM 697 CG2 THR A 47 16.516 -13.392 17.342 1.00 0.12 C ATOM 0 H THR A 47 18.111 -15.064 16.029 1.00 0.15 H new ATOM 0 HA THR A 47 18.622 -15.599 18.926 1.00 0.10 H new ATOM 0 HB THR A 47 17.943 -13.306 18.951 1.00 0.09 H new ATOM 0 HG1 THR A 47 15.380 -13.931 19.294 1.00 0.14 H new ATOM 0 HG21 THR A 47 16.008 -12.475 17.642 1.00 0.12 H new ATOM 0 HG22 THR A 47 17.257 -13.162 16.576 1.00 0.12 H new ATOM 0 HG23 THR A 47 15.787 -14.097 16.942 1.00 0.12 H new ATOM 705 N LYS A 48 16.668 -17.205 18.950 1.00 0.18 N ATOM 706 CA LYS A 48 15.690 -18.323 18.827 1.00 0.23 C ATOM 707 C LYS A 48 14.288 -17.809 19.122 1.00 0.25 C ATOM 708 O LYS A 48 13.303 -18.469 18.855 1.00 0.30 O ATOM 709 CB LYS A 48 16.059 -19.421 19.819 1.00 0.31 C ATOM 710 CG LYS A 48 17.200 -20.245 19.230 1.00 0.32 C ATOM 711 CD LYS A 48 16.624 -21.357 18.351 1.00 0.27 C ATOM 712 CE LYS A 48 15.646 -22.199 19.175 1.00 0.40 C ATOM 713 NZ LYS A 48 15.555 -23.572 18.600 1.00 0.44 N ATOM 0 H LYS A 48 17.112 -17.119 19.864 1.00 0.18 H new ATOM 0 HA LYS A 48 15.715 -18.725 17.814 1.00 0.23 H new ATOM 0 HB2 LYS A 48 16.360 -18.985 20.772 1.00 0.31 H new ATOM 0 HB3 LYS A 48 15.196 -20.057 20.018 1.00 0.31 H new ATOM 0 HG2 LYS A 48 17.859 -19.606 18.642 1.00 0.32 H new ATOM 0 HG3 LYS A 48 17.803 -20.674 20.030 1.00 0.32 H new ATOM 0 HD2 LYS A 48 16.114 -20.927 17.489 1.00 0.27 H new ATOM 0 HD3 LYS A 48 17.428 -21.985 17.966 1.00 0.27 H new ATOM 0 HE2 LYS A 48 15.979 -22.250 20.212 1.00 0.40 H new ATOM 0 HE3 LYS A 48 14.662 -21.730 19.179 1.00 0.40 H new ATOM 0 HZ1 LYS A 48 14.890 -24.140 19.162 1.00 0.44 H new ATOM 0 HZ2 LYS A 48 15.218 -23.515 17.618 1.00 0.44 H new ATOM 0 HZ3 LYS A 48 16.494 -24.019 18.618 1.00 0.44 H new ATOM 727 N THR A 49 14.191 -16.632 19.660 1.00 0.24 N ATOM 728 CA THR A 49 12.850 -16.065 19.962 1.00 0.27 C ATOM 729 C THR A 49 12.854 -14.569 19.667 1.00 0.24 C ATOM 730 O THR A 49 13.860 -13.903 19.778 1.00 0.35 O ATOM 731 CB THR A 49 12.502 -16.307 21.430 1.00 0.31 C ATOM 732 OG1 THR A 49 13.614 -15.975 22.248 1.00 0.23 O ATOM 733 CG2 THR A 49 12.143 -17.778 21.615 1.00 0.44 C ATOM 0 H THR A 49 14.981 -16.035 19.905 1.00 0.24 H new ATOM 0 HA THR A 49 12.101 -16.553 19.338 1.00 0.27 H new ATOM 0 HB THR A 49 11.656 -15.683 21.717 1.00 0.31 H new ATOM 0 HG1 THR A 49 13.386 -16.130 23.188 1.00 0.23 H new ATOM 0 HG21 THR A 49 11.893 -17.963 22.660 1.00 0.44 H new ATOM 0 HG22 THR A 49 11.287 -18.025 20.987 1.00 0.44 H new ATOM 0 HG23 THR A 49 12.993 -18.398 21.330 1.00 0.44 H new ATOM 741 N ALA A 50 11.733 -14.037 19.287 1.00 0.36 N ATOM 742 CA ALA A 50 11.665 -12.588 18.977 1.00 0.37 C ATOM 743 C ALA A 50 10.306 -12.039 19.399 1.00 0.34 C ATOM 744 O ALA A 50 9.344 -12.769 19.514 1.00 0.37 O ATOM 745 CB ALA A 50 11.868 -12.368 17.481 1.00 0.36 C ATOM 0 H ALA A 50 10.856 -14.546 19.177 1.00 0.36 H new ATOM 0 HA ALA A 50 12.451 -12.066 19.523 1.00 0.37 H new ATOM 0 HB1 ALA A 50 11.817 -11.302 17.260 1.00 0.36 H new ATOM 0 HB2 ALA A 50 12.844 -12.754 17.186 1.00 0.36 H new ATOM 0 HB3 ALA A 50 11.088 -12.891 16.927 1.00 0.36 H new ATOM 751 N LYS A 51 10.217 -10.763 19.642 1.00 0.27 N ATOM 752 CA LYS A 51 8.917 -10.185 20.071 1.00 0.22 C ATOM 753 C LYS A 51 8.650 -8.870 19.341 1.00 0.19 C ATOM 754 O LYS A 51 9.525 -8.049 19.183 1.00 0.21 O ATOM 755 CB LYS A 51 8.978 -9.890 21.564 1.00 0.20 C ATOM 756 CG LYS A 51 8.409 -11.067 22.352 1.00 0.24 C ATOM 757 CD LYS A 51 7.586 -10.539 23.529 1.00 0.22 C ATOM 758 CE LYS A 51 8.188 -9.220 24.030 1.00 0.20 C ATOM 759 NZ LYS A 51 7.872 -9.043 25.475 1.00 0.26 N ATOM 0 H LYS A 51 10.986 -10.098 19.562 1.00 0.27 H new ATOM 0 HA LYS A 51 8.125 -10.898 19.842 1.00 0.22 H new ATOM 0 HB2 LYS A 51 10.009 -9.705 21.865 1.00 0.20 H new ATOM 0 HB3 LYS A 51 8.413 -8.985 21.788 1.00 0.20 H new ATOM 0 HG2 LYS A 51 7.785 -11.684 21.706 1.00 0.24 H new ATOM 0 HG3 LYS A 51 9.218 -11.701 22.715 1.00 0.24 H new ATOM 0 HD2 LYS A 51 6.552 -10.384 23.222 1.00 0.22 H new ATOM 0 HD3 LYS A 51 7.573 -11.273 24.335 1.00 0.22 H new ATOM 0 HE2 LYS A 51 9.268 -9.222 23.881 1.00 0.20 H new ATOM 0 HE3 LYS A 51 7.788 -8.385 23.455 1.00 0.20 H new ATOM 0 HZ1 LYS A 51 8.281 -8.148 25.813 1.00 0.26 H new ATOM 0 HZ2 LYS A 51 6.840 -9.023 25.605 1.00 0.26 H new ATOM 0 HZ3 LYS A 51 8.274 -9.834 26.018 1.00 0.26 H new ATOM 773 N ILE A 52 7.436 -8.633 18.939 1.00 0.15 N ATOM 774 CA ILE A 52 7.136 -7.341 18.273 1.00 0.14 C ATOM 775 C ILE A 52 6.661 -6.375 19.356 1.00 0.12 C ATOM 776 O ILE A 52 6.152 -6.787 20.378 1.00 0.14 O ATOM 777 CB ILE A 52 6.043 -7.523 17.221 1.00 0.11 C ATOM 778 CG1 ILE A 52 5.632 -6.151 16.686 1.00 0.14 C ATOM 779 CG2 ILE A 52 4.834 -8.209 17.854 1.00 0.06 C ATOM 780 CD1 ILE A 52 4.457 -6.306 15.721 1.00 0.74 C ATOM 0 H ILE A 52 6.646 -9.271 19.041 1.00 0.15 H new ATOM 0 HA ILE A 52 8.022 -6.957 17.768 1.00 0.14 H new ATOM 0 HB ILE A 52 6.418 -8.139 16.403 1.00 0.11 H new ATOM 0 HG12 ILE A 52 5.353 -5.496 17.512 1.00 0.14 H new ATOM 0 HG13 ILE A 52 6.474 -5.681 16.177 1.00 0.14 H new ATOM 0 HG21 ILE A 52 4.055 -8.339 17.103 1.00 0.06 H new ATOM 0 HG22 ILE A 52 5.130 -9.184 18.241 1.00 0.06 H new ATOM 0 HG23 ILE A 52 4.453 -7.595 18.670 1.00 0.06 H new ATOM 0 HD11 ILE A 52 4.166 -5.326 15.341 1.00 0.74 H new ATOM 0 HD12 ILE A 52 4.752 -6.945 14.889 1.00 0.74 H new ATOM 0 HD13 ILE A 52 3.614 -6.757 16.244 1.00 0.74 H new ATOM 792 N GLU A 53 6.842 -5.102 19.166 1.00 0.10 N ATOM 793 CA GLU A 53 6.414 -4.139 20.220 1.00 0.09 C ATOM 794 C GLU A 53 5.783 -2.908 19.578 1.00 0.09 C ATOM 795 O GLU A 53 6.424 -2.172 18.858 1.00 0.12 O ATOM 796 CB GLU A 53 7.640 -3.711 21.031 1.00 0.09 C ATOM 797 CG GLU A 53 7.419 -4.028 22.509 1.00 0.05 C ATOM 798 CD GLU A 53 8.570 -3.446 23.330 1.00 0.07 C ATOM 799 OE1 GLU A 53 8.533 -2.258 23.605 1.00 0.16 O ATOM 800 OE2 GLU A 53 9.471 -4.197 23.667 1.00 0.11 O ATOM 0 H GLU A 53 7.264 -4.686 18.336 1.00 0.10 H new ATOM 0 HA GLU A 53 5.682 -4.618 20.870 1.00 0.09 H new ATOM 0 HB2 GLU A 53 8.527 -4.229 20.667 1.00 0.09 H new ATOM 0 HB3 GLU A 53 7.819 -2.644 20.901 1.00 0.09 H new ATOM 0 HG2 GLU A 53 6.470 -3.609 22.844 1.00 0.05 H new ATOM 0 HG3 GLU A 53 7.361 -5.106 22.656 1.00 0.05 H new ATOM 807 N ILE A 54 4.535 -2.665 19.843 1.00 0.10 N ATOM 808 CA ILE A 54 3.883 -1.471 19.251 1.00 0.10 C ATOM 809 C ILE A 54 3.400 -0.550 20.367 1.00 0.13 C ATOM 810 O ILE A 54 2.533 -0.903 21.142 1.00 0.16 O ATOM 811 CB ILE A 54 2.683 -1.897 18.413 1.00 0.07 C ATOM 812 CG1 ILE A 54 3.064 -3.092 17.540 1.00 0.09 C ATOM 813 CG2 ILE A 54 2.257 -0.731 17.530 1.00 0.08 C ATOM 814 CD1 ILE A 54 2.811 -4.381 18.317 1.00 0.20 C ATOM 0 H ILE A 54 3.940 -3.238 20.441 1.00 0.10 H new ATOM 0 HA ILE A 54 4.604 -0.950 18.621 1.00 0.10 H new ATOM 0 HB ILE A 54 1.859 -2.183 19.067 1.00 0.07 H new ATOM 0 HG12 ILE A 54 2.479 -3.087 16.620 1.00 0.09 H new ATOM 0 HG13 ILE A 54 4.113 -3.027 17.251 1.00 0.09 H new ATOM 0 HG21 ILE A 54 1.399 -1.026 16.926 1.00 0.08 H new ATOM 0 HG22 ILE A 54 1.985 0.119 18.156 1.00 0.08 H new ATOM 0 HG23 ILE A 54 3.082 -0.450 16.875 1.00 0.08 H new ATOM 0 HD11 ILE A 54 3.081 -5.237 17.699 1.00 0.20 H new ATOM 0 HD12 ILE A 54 3.415 -4.383 19.224 1.00 0.20 H new ATOM 0 HD13 ILE A 54 1.756 -4.444 18.583 1.00 0.20 H new ATOM 826 N LYS A 55 3.936 0.631 20.449 1.00 0.18 N ATOM 827 CA LYS A 55 3.487 1.572 21.509 1.00 0.22 C ATOM 828 C LYS A 55 2.840 2.783 20.846 1.00 0.25 C ATOM 829 O LYS A 55 3.087 3.069 19.698 1.00 0.64 O ATOM 830 CB LYS A 55 4.685 2.011 22.348 1.00 0.26 C ATOM 831 CG LYS A 55 5.127 0.840 23.221 1.00 0.20 C ATOM 832 CD LYS A 55 5.805 1.369 24.486 1.00 0.62 C ATOM 833 CE LYS A 55 7.309 1.099 24.410 1.00 0.80 C ATOM 834 NZ LYS A 55 8.016 2.349 24.018 1.00 1.91 N ATOM 0 H LYS A 55 4.664 0.986 19.830 1.00 0.18 H new ATOM 0 HA LYS A 55 2.764 1.082 22.162 1.00 0.22 H new ATOM 0 HB2 LYS A 55 5.503 2.330 21.701 1.00 0.26 H new ATOM 0 HB3 LYS A 55 4.418 2.866 22.969 1.00 0.26 H new ATOM 0 HG2 LYS A 55 4.266 0.227 23.487 1.00 0.20 H new ATOM 0 HG3 LYS A 55 5.815 0.201 22.668 1.00 0.20 H new ATOM 0 HD2 LYS A 55 5.622 2.438 24.590 1.00 0.62 H new ATOM 0 HD3 LYS A 55 5.382 0.886 25.367 1.00 0.62 H new ATOM 0 HE2 LYS A 55 7.676 0.748 25.374 1.00 0.80 H new ATOM 0 HE3 LYS A 55 7.512 0.311 23.685 1.00 0.80 H new ATOM 0 HZ1 LYS A 55 9.039 2.168 23.966 1.00 1.91 H new ATOM 0 HZ2 LYS A 55 7.673 2.665 23.089 1.00 1.91 H new ATOM 0 HZ3 LYS A 55 7.831 3.089 24.725 1.00 1.91 H new ATOM 848 N ALA A 56 2.003 3.491 21.543 1.00 0.35 N ATOM 849 CA ALA A 56 1.349 4.673 20.910 1.00 0.30 C ATOM 850 C ALA A 56 1.395 5.873 21.854 1.00 0.28 C ATOM 851 O ALA A 56 0.916 5.818 22.968 1.00 0.32 O ATOM 852 CB ALA A 56 -0.110 4.345 20.588 1.00 0.23 C ATOM 0 H ALA A 56 1.743 3.309 22.512 1.00 0.35 H new ATOM 0 HA ALA A 56 1.884 4.917 19.992 1.00 0.30 H new ATOM 0 HB1 ALA A 56 -0.584 5.211 20.126 1.00 0.23 H new ATOM 0 HB2 ALA A 56 -0.150 3.500 19.901 1.00 0.23 H new ATOM 0 HB3 ALA A 56 -0.637 4.090 21.507 1.00 0.23 H new ATOM 858 N SER A 57 1.952 6.963 21.404 1.00 0.39 N ATOM 859 CA SER A 57 2.017 8.180 22.262 1.00 0.36 C ATOM 860 C SER A 57 0.805 9.066 21.957 1.00 0.26 C ATOM 861 O SER A 57 0.292 9.071 20.855 1.00 0.35 O ATOM 862 CB SER A 57 3.305 8.952 21.969 1.00 0.53 C ATOM 863 OG SER A 57 2.987 10.310 21.694 1.00 0.69 O ATOM 0 H SER A 57 2.366 7.064 20.477 1.00 0.39 H new ATOM 0 HA SER A 57 2.009 7.890 23.313 1.00 0.36 H new ATOM 0 HB2 SER A 57 3.981 8.890 22.822 1.00 0.53 H new ATOM 0 HB3 SER A 57 3.823 8.508 21.119 1.00 0.53 H new ATOM 0 HG SER A 57 3.810 10.807 21.507 1.00 0.69 H new ATOM 869 N LEU A 58 0.340 9.810 22.922 1.00 0.16 N ATOM 870 CA LEU A 58 -0.841 10.688 22.686 1.00 0.14 C ATOM 871 C LEU A 58 -0.392 12.146 22.611 1.00 0.16 C ATOM 872 O LEU A 58 -0.997 13.024 23.194 1.00 0.20 O ATOM 873 CB LEU A 58 -1.831 10.528 23.837 1.00 0.21 C ATOM 874 CG LEU A 58 -1.980 9.047 24.190 1.00 0.19 C ATOM 875 CD1 LEU A 58 -3.044 8.888 25.278 1.00 0.20 C ATOM 876 CD2 LEU A 58 -2.404 8.262 22.946 1.00 0.25 C ATOM 0 H LEU A 58 0.727 9.848 23.865 1.00 0.16 H new ATOM 0 HA LEU A 58 -1.317 10.405 21.747 1.00 0.14 H new ATOM 0 HB2 LEU A 58 -1.484 11.086 24.707 1.00 0.21 H new ATOM 0 HB3 LEU A 58 -2.799 10.944 23.557 1.00 0.21 H new ATOM 0 HG LEU A 58 -1.026 8.664 24.552 1.00 0.19 H new ATOM 0 HD11 LEU A 58 -3.151 7.833 25.531 1.00 0.20 H new ATOM 0 HD12 LEU A 58 -2.743 9.445 26.165 1.00 0.20 H new ATOM 0 HD13 LEU A 58 -3.997 9.273 24.914 1.00 0.20 H new ATOM 0 HD21 LEU A 58 -2.510 7.207 23.200 1.00 0.25 H new ATOM 0 HD22 LEU A 58 -3.357 8.645 22.582 1.00 0.25 H new ATOM 0 HD23 LEU A 58 -1.647 8.374 22.169 1.00 0.25 H new ATOM 888 N ASP A 59 0.663 12.409 21.898 1.00 0.32 N ATOM 889 CA ASP A 59 1.153 13.811 21.784 1.00 0.38 C ATOM 890 C ASP A 59 1.423 14.371 23.183 1.00 0.44 C ATOM 891 O ASP A 59 1.516 15.567 23.374 1.00 0.63 O ATOM 892 CB ASP A 59 0.091 14.666 21.087 1.00 0.43 C ATOM 893 CG ASP A 59 0.745 15.499 19.981 1.00 0.54 C ATOM 894 OD1 ASP A 59 1.962 15.496 19.905 1.00 0.82 O ATOM 895 OD2 ASP A 59 0.015 16.125 19.230 1.00 0.62 O ATOM 0 H ASP A 59 1.209 11.715 21.388 1.00 0.32 H new ATOM 0 HA ASP A 59 2.074 13.830 21.201 1.00 0.38 H new ATOM 0 HB2 ASP A 59 -0.684 14.027 20.664 1.00 0.43 H new ATOM 0 HB3 ASP A 59 -0.395 15.321 21.810 1.00 0.43 H new ATOM 900 N GLY A 60 1.549 13.517 24.164 1.00 0.29 N ATOM 901 CA GLY A 60 1.810 14.005 25.549 1.00 0.34 C ATOM 902 C GLY A 60 1.969 12.813 26.498 1.00 0.33 C ATOM 903 O GLY A 60 2.870 12.775 27.312 1.00 0.35 O ATOM 0 H GLY A 60 1.483 12.504 24.066 1.00 0.29 H new ATOM 0 HA2 GLY A 60 2.712 14.617 25.565 1.00 0.34 H new ATOM 0 HA3 GLY A 60 0.988 14.639 25.882 1.00 0.34 H new ATOM 907 N LEU A 61 1.100 11.843 26.406 1.00 0.40 N ATOM 908 CA LEU A 61 1.205 10.659 27.309 1.00 0.41 C ATOM 909 C LEU A 61 1.650 9.436 26.501 1.00 0.45 C ATOM 910 O LEU A 61 0.918 8.934 25.673 1.00 0.47 O ATOM 911 CB LEU A 61 -0.166 10.384 27.935 1.00 0.42 C ATOM 912 CG LEU A 61 -0.270 8.909 28.317 1.00 0.52 C ATOM 913 CD1 LEU A 61 0.851 8.558 29.295 1.00 0.51 C ATOM 914 CD2 LEU A 61 -1.624 8.649 28.979 1.00 0.51 C ATOM 0 H LEU A 61 0.323 11.818 25.746 1.00 0.40 H new ATOM 0 HA LEU A 61 1.936 10.859 28.093 1.00 0.41 H new ATOM 0 HB2 LEU A 61 -0.306 11.009 28.817 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -0.957 10.644 27.231 1.00 0.42 H new ATOM 0 HG LEU A 61 -0.179 8.293 27.422 1.00 0.52 H new ATOM 0 HD11 LEU A 61 0.779 7.505 29.569 1.00 0.51 H new ATOM 0 HD12 LEU A 61 1.816 8.745 28.824 1.00 0.51 H new ATOM 0 HD13 LEU A 61 0.759 9.173 30.190 1.00 0.51 H new ATOM 0 HD21 LEU A 61 -1.699 7.596 29.252 1.00 0.51 H new ATOM 0 HD22 LEU A 61 -1.715 9.264 29.875 1.00 0.51 H new ATOM 0 HD23 LEU A 61 -2.424 8.901 28.283 1.00 0.51 H new ATOM 926 N GLU A 62 2.837 8.942 26.738 1.00 0.45 N ATOM 927 CA GLU A 62 3.303 7.748 25.975 1.00 0.48 C ATOM 928 C GLU A 62 2.632 6.501 26.547 1.00 0.43 C ATOM 929 O GLU A 62 2.689 6.240 27.732 1.00 0.51 O ATOM 930 CB GLU A 62 4.825 7.615 26.087 1.00 0.50 C ATOM 931 CG GLU A 62 5.195 6.145 26.293 1.00 1.07 C ATOM 932 CD GLU A 62 6.717 6.002 26.367 1.00 1.25 C ATOM 933 OE1 GLU A 62 7.333 5.884 25.320 1.00 1.29 O ATOM 934 OE2 GLU A 62 7.240 6.007 27.469 1.00 1.38 O ATOM 0 H GLU A 62 3.499 9.310 27.421 1.00 0.45 H new ATOM 0 HA GLU A 62 3.038 7.861 24.924 1.00 0.48 H new ATOM 0 HB2 GLU A 62 5.302 7.998 25.185 1.00 0.50 H new ATOM 0 HB3 GLU A 62 5.193 8.214 26.920 1.00 0.50 H new ATOM 0 HG2 GLU A 62 4.740 5.770 27.210 1.00 1.07 H new ATOM 0 HG3 GLU A 62 4.803 5.543 25.473 1.00 1.07 H new ATOM 941 N ILE A 63 1.977 5.743 25.715 1.00 0.30 N ATOM 942 CA ILE A 63 1.278 4.533 26.194 1.00 0.24 C ATOM 943 C ILE A 63 1.887 3.296 25.549 1.00 0.25 C ATOM 944 O ILE A 63 2.601 3.364 24.569 1.00 0.29 O ATOM 945 CB ILE A 63 -0.180 4.624 25.754 1.00 0.34 C ATOM 946 CG1 ILE A 63 -0.927 5.667 26.587 1.00 0.42 C ATOM 947 CG2 ILE A 63 -0.863 3.274 25.883 1.00 0.28 C ATOM 948 CD1 ILE A 63 -2.380 5.755 26.108 1.00 0.42 C ATOM 0 H ILE A 63 1.899 5.917 24.713 1.00 0.30 H new ATOM 0 HA ILE A 63 1.364 4.464 27.278 1.00 0.24 H new ATOM 0 HB ILE A 63 -0.200 4.928 24.708 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -0.896 5.396 27.642 1.00 0.42 H new ATOM 0 HG13 ILE A 63 -0.442 6.639 26.493 1.00 0.42 H new ATOM 0 HG21 ILE A 63 -1.902 3.360 25.564 1.00 0.28 H new ATOM 0 HG22 ILE A 63 -0.350 2.545 25.255 1.00 0.28 H new ATOM 0 HG23 ILE A 63 -0.828 2.946 26.922 1.00 0.28 H new ATOM 0 HD11 ILE A 63 -2.914 6.498 26.701 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -2.400 6.046 25.058 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.861 4.784 26.225 1.00 0.42 H new ATOM 960 N ASP A 64 1.542 2.170 26.070 1.00 0.19 N ATOM 961 CA ASP A 64 2.005 0.884 25.494 1.00 0.18 C ATOM 962 C ASP A 64 0.767 0.207 24.927 1.00 0.15 C ATOM 963 O ASP A 64 -0.284 0.229 25.535 1.00 0.18 O ATOM 964 CB ASP A 64 2.631 0.004 26.575 1.00 0.14 C ATOM 965 CG ASP A 64 3.082 -1.322 25.957 1.00 2.53 C ATOM 966 OD1 ASP A 64 2.221 -2.115 25.611 1.00 4.20 O ATOM 967 OD2 ASP A 64 4.280 -1.522 25.839 1.00 3.23 O ATOM 0 H ASP A 64 0.944 2.077 26.891 1.00 0.19 H new ATOM 0 HA ASP A 64 2.764 1.047 24.729 1.00 0.18 H new ATOM 0 HB2 ASP A 64 3.481 0.515 27.027 1.00 0.14 H new ATOM 0 HB3 ASP A 64 1.910 -0.180 27.371 1.00 0.14 H new ATOM 972 N VAL A 65 0.851 -0.356 23.766 1.00 0.12 N ATOM 973 CA VAL A 65 -0.364 -0.980 23.182 1.00 0.17 C ATOM 974 C VAL A 65 -0.332 -2.504 23.344 1.00 0.22 C ATOM 975 O VAL A 65 0.449 -3.180 22.703 1.00 0.22 O ATOM 976 CB VAL A 65 -0.442 -0.621 21.705 1.00 0.13 C ATOM 977 CG1 VAL A 65 -1.909 -0.628 21.262 1.00 0.55 C ATOM 978 CG2 VAL A 65 0.152 0.777 21.501 1.00 0.48 C ATOM 0 H VAL A 65 1.696 -0.414 23.197 1.00 0.12 H new ATOM 0 HA VAL A 65 -1.241 -0.603 23.707 1.00 0.17 H new ATOM 0 HB VAL A 65 0.117 -1.346 21.113 1.00 0.13 H new ATOM 0 HG11 VAL A 65 -1.971 -0.371 20.204 1.00 0.55 H new ATOM 0 HG12 VAL A 65 -2.332 -1.620 21.420 1.00 0.55 H new ATOM 0 HG13 VAL A 65 -2.469 0.102 21.846 1.00 0.55 H new ATOM 0 HG21 VAL A 65 0.101 1.044 20.445 1.00 0.48 H new ATOM 0 HG22 VAL A 65 -0.414 1.502 22.086 1.00 0.48 H new ATOM 0 HG23 VAL A 65 1.192 0.781 21.826 1.00 0.48 H new ATOM 988 N PRO A 66 -1.200 -2.995 24.194 1.00 0.36 N ATOM 989 CA PRO A 66 -1.327 -4.435 24.467 1.00 0.48 C ATOM 990 C PRO A 66 -2.181 -5.095 23.380 1.00 0.48 C ATOM 991 O PRO A 66 -2.399 -4.535 22.324 1.00 0.47 O ATOM 992 CB PRO A 66 -2.050 -4.479 25.816 1.00 0.65 C ATOM 993 CG PRO A 66 -2.794 -3.129 25.958 1.00 0.63 C ATOM 994 CD PRO A 66 -2.131 -2.154 24.970 1.00 0.45 C ATOM 0 HA PRO A 66 -0.372 -4.961 24.481 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -2.750 -5.314 25.854 1.00 0.65 H new ATOM 0 HB3 PRO A 66 -1.341 -4.619 26.632 1.00 0.65 H new ATOM 0 HG2 PRO A 66 -3.854 -3.246 25.734 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -2.723 -2.753 26.979 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -2.870 -1.679 24.324 1.00 0.45 H new ATOM 0 HD3 PRO A 66 -1.604 -1.356 25.493 1.00 0.45 H new ATOM 1002 N GLY A 67 -2.673 -6.276 23.632 1.00 0.51 N ATOM 1003 CA GLY A 67 -3.520 -6.962 22.614 1.00 0.54 C ATOM 1004 C GLY A 67 -2.743 -7.116 21.307 1.00 0.61 C ATOM 1005 O GLY A 67 -3.221 -6.772 20.243 1.00 1.18 O ATOM 0 H GLY A 67 -2.526 -6.796 24.497 1.00 0.51 H new ATOM 0 HA2 GLY A 67 -3.825 -7.941 22.983 1.00 0.54 H new ATOM 0 HA3 GLY A 67 -4.431 -6.389 22.440 1.00 0.54 H new ATOM 1009 N ILE A 68 -1.551 -7.639 21.377 1.00 0.43 N ATOM 1010 CA ILE A 68 -0.744 -7.826 20.140 1.00 0.38 C ATOM 1011 C ILE A 68 -0.019 -9.170 20.216 1.00 0.34 C ATOM 1012 O ILE A 68 -0.435 -10.074 20.912 1.00 0.55 O ATOM 1013 CB ILE A 68 0.287 -6.706 20.020 1.00 0.39 C ATOM 1014 CG1 ILE A 68 1.258 -6.817 21.195 1.00 0.40 C ATOM 1015 CG2 ILE A 68 -0.420 -5.348 20.039 1.00 0.42 C ATOM 1016 CD1 ILE A 68 2.206 -5.620 21.215 1.00 0.66 C ATOM 0 H ILE A 68 -1.100 -7.945 22.239 1.00 0.43 H new ATOM 0 HA ILE A 68 -1.402 -7.804 19.271 1.00 0.38 H new ATOM 0 HB ILE A 68 0.834 -6.794 19.082 1.00 0.39 H new ATOM 0 HG12 ILE A 68 0.702 -6.865 22.131 1.00 0.40 H new ATOM 0 HG13 ILE A 68 1.830 -7.741 21.116 1.00 0.40 H new ATOM 0 HG21 ILE A 68 0.319 -4.552 19.953 1.00 0.42 H new ATOM 0 HG22 ILE A 68 -1.116 -5.289 19.202 1.00 0.42 H new ATOM 0 HG23 ILE A 68 -0.967 -5.236 20.975 1.00 0.42 H new ATOM 0 HD11 ILE A 68 2.892 -5.713 22.057 1.00 0.66 H new ATOM 0 HD12 ILE A 68 2.775 -5.591 20.286 1.00 0.66 H new ATOM 0 HD13 ILE A 68 1.629 -4.701 21.316 1.00 0.66 H new ATOM 1028 N ASP A 69 1.057 -9.309 19.491 1.00 0.17 N ATOM 1029 CA ASP A 69 1.802 -10.595 19.506 1.00 0.15 C ATOM 1030 C ASP A 69 3.138 -10.409 20.221 1.00 0.18 C ATOM 1031 O ASP A 69 4.059 -9.824 19.689 1.00 0.15 O ATOM 1032 CB ASP A 69 2.057 -11.052 18.065 1.00 0.15 C ATOM 1033 CG ASP A 69 2.623 -12.473 18.072 1.00 0.26 C ATOM 1034 OD1 ASP A 69 2.054 -13.312 18.751 1.00 0.72 O ATOM 1035 OD2 ASP A 69 3.615 -12.699 17.399 1.00 0.26 O ATOM 0 H ASP A 69 1.451 -8.586 18.889 1.00 0.17 H new ATOM 0 HA ASP A 69 1.213 -11.347 20.031 1.00 0.15 H new ATOM 0 HB2 ASP A 69 1.129 -11.022 17.493 1.00 0.15 H new ATOM 0 HB3 ASP A 69 2.756 -10.373 17.575 1.00 0.15 H new ATOM 1040 N THR A 70 3.260 -10.915 21.416 1.00 0.22 N ATOM 1041 CA THR A 70 4.549 -10.779 22.147 1.00 0.24 C ATOM 1042 C THR A 70 5.456 -11.945 21.755 1.00 0.26 C ATOM 1043 O THR A 70 6.041 -12.610 22.587 1.00 0.30 O ATOM 1044 CB THR A 70 4.293 -10.797 23.655 1.00 0.30 C ATOM 1045 OG1 THR A 70 3.160 -11.606 23.931 1.00 0.41 O ATOM 1046 CG2 THR A 70 4.037 -9.370 24.143 1.00 0.27 C ATOM 0 H THR A 70 2.525 -11.415 21.916 1.00 0.22 H new ATOM 0 HA THR A 70 5.029 -9.835 21.888 1.00 0.24 H new ATOM 0 HB THR A 70 5.163 -11.205 24.170 1.00 0.30 H new ATOM 0 HG1 THR A 70 2.996 -11.620 24.897 1.00 0.41 H new ATOM 0 HG21 THR A 70 3.854 -9.380 25.218 1.00 0.27 H new ATOM 0 HG22 THR A 70 4.908 -8.751 23.929 1.00 0.27 H new ATOM 0 HG23 THR A 70 3.166 -8.961 23.631 1.00 0.27 H new ATOM 1054 N ASN A 71 5.564 -12.187 20.480 1.00 0.23 N ATOM 1055 CA ASN A 71 6.412 -13.296 19.972 1.00 0.26 C ATOM 1056 C ASN A 71 6.276 -13.317 18.448 1.00 0.23 C ATOM 1057 O ASN A 71 5.520 -14.086 17.888 1.00 0.21 O ATOM 1058 CB ASN A 71 5.933 -14.620 20.571 1.00 0.29 C ATOM 1059 CG ASN A 71 6.528 -15.790 19.785 1.00 0.50 C ATOM 1060 OD1 ASN A 71 5.827 -16.469 19.061 1.00 2.22 O ATOM 1061 ND2 ASN A 71 7.800 -16.056 19.900 1.00 1.42 N ATOM 0 H ASN A 71 5.089 -11.650 19.754 1.00 0.23 H new ATOM 0 HA ASN A 71 7.455 -13.154 20.254 1.00 0.26 H new ATOM 0 HB2 ASN A 71 6.230 -14.685 21.618 1.00 0.29 H new ATOM 0 HB3 ASN A 71 4.844 -14.669 20.545 1.00 0.29 H new ATOM 0 HD21 ASN A 71 8.207 -16.835 19.382 1.00 1.42 H new ATOM 0 HD22 ASN A 71 8.387 -15.485 20.508 1.00 1.42 H new ATOM 1068 N ALA A 72 6.978 -12.439 17.782 1.00 0.25 N ATOM 1069 CA ALA A 72 6.879 -12.346 16.295 1.00 0.22 C ATOM 1070 C ALA A 72 7.340 -13.638 15.609 1.00 0.25 C ATOM 1071 O ALA A 72 7.256 -13.757 14.408 1.00 0.22 O ATOM 1072 CB ALA A 72 7.739 -11.181 15.808 1.00 0.20 C ATOM 0 H ALA A 72 7.623 -11.775 18.210 1.00 0.25 H new ATOM 0 HA ALA A 72 5.832 -12.186 16.036 1.00 0.22 H new ATOM 0 HB1 ALA A 72 7.671 -11.108 14.723 1.00 0.20 H new ATOM 0 HB2 ALA A 72 7.384 -10.254 16.257 1.00 0.20 H new ATOM 0 HB3 ALA A 72 8.777 -11.349 16.096 1.00 0.20 H new ATOM 1078 N CYS A 73 7.824 -14.604 16.338 1.00 0.32 N ATOM 1079 CA CYS A 73 8.269 -15.870 15.687 1.00 0.36 C ATOM 1080 C CYS A 73 7.064 -16.568 15.051 1.00 0.34 C ATOM 1081 O CYS A 73 7.207 -17.518 14.307 1.00 0.36 O ATOM 1082 CB CYS A 73 8.884 -16.799 16.733 1.00 0.48 C ATOM 1083 SG CYS A 73 10.443 -16.100 17.323 1.00 3.01 S ATOM 0 H CYS A 73 7.931 -14.574 17.352 1.00 0.32 H new ATOM 0 HA CYS A 73 9.010 -15.637 14.922 1.00 0.36 H new ATOM 0 HB2 CYS A 73 8.195 -16.931 17.567 1.00 0.48 H new ATOM 0 HB3 CYS A 73 9.056 -17.785 16.302 1.00 0.48 H new ATOM 1088 N HIS A 74 5.877 -16.109 15.340 1.00 0.32 N ATOM 1089 CA HIS A 74 4.668 -16.754 14.753 1.00 0.33 C ATOM 1090 C HIS A 74 4.473 -16.265 13.319 1.00 0.31 C ATOM 1091 O HIS A 74 3.810 -16.896 12.520 1.00 0.38 O ATOM 1092 CB HIS A 74 3.441 -16.393 15.591 1.00 0.34 C ATOM 1093 CG HIS A 74 3.091 -17.552 16.486 1.00 0.36 C ATOM 1094 ND1 HIS A 74 1.800 -18.045 16.586 1.00 0.36 N ATOM 1095 CD2 HIS A 74 3.854 -18.328 17.324 1.00 0.57 C ATOM 1096 CE1 HIS A 74 1.824 -19.072 17.456 1.00 0.32 C ATOM 1097 NE2 HIS A 74 3.051 -19.288 17.934 1.00 0.47 N ATOM 0 H HIS A 74 5.692 -15.317 15.956 1.00 0.32 H new ATOM 0 HA HIS A 74 4.798 -17.836 14.750 1.00 0.33 H new ATOM 0 HB2 HIS A 74 3.644 -15.505 16.189 1.00 0.34 H new ATOM 0 HB3 HIS A 74 2.600 -16.154 14.941 1.00 0.34 H new ATOM 0 HD2 HIS A 74 4.915 -18.211 17.485 1.00 0.57 H new ATOM 0 HE1 HIS A 74 0.956 -19.651 17.733 1.00 0.32 H new ATOM 0 HE2 HIS A 74 3.339 -20.003 18.602 1.00 0.47 H new ATOM 1105 N PHE A 75 5.047 -15.146 12.986 1.00 0.25 N ATOM 1106 CA PHE A 75 4.902 -14.611 11.605 1.00 0.27 C ATOM 1107 C PHE A 75 6.254 -14.673 10.895 1.00 0.27 C ATOM 1108 O PHE A 75 6.334 -14.664 9.683 1.00 0.35 O ATOM 1109 CB PHE A 75 4.420 -13.162 11.674 1.00 0.30 C ATOM 1110 CG PHE A 75 3.130 -13.112 12.455 1.00 0.28 C ATOM 1111 CD1 PHE A 75 1.933 -13.517 11.854 1.00 0.27 C ATOM 1112 CD2 PHE A 75 3.133 -12.671 13.784 1.00 0.28 C ATOM 1113 CE1 PHE A 75 0.738 -13.481 12.581 1.00 0.26 C ATOM 1114 CE2 PHE A 75 1.938 -12.633 14.511 1.00 0.28 C ATOM 1115 CZ PHE A 75 0.740 -13.039 13.910 1.00 0.27 C ATOM 0 H PHE A 75 5.613 -14.575 13.613 1.00 0.25 H new ATOM 0 HA PHE A 75 4.176 -15.207 11.052 1.00 0.27 H new ATOM 0 HB2 PHE A 75 5.174 -12.536 12.152 1.00 0.30 H new ATOM 0 HB3 PHE A 75 4.268 -12.767 10.669 1.00 0.30 H new ATOM 0 HD1 PHE A 75 1.931 -13.857 10.829 1.00 0.27 H new ATOM 0 HD2 PHE A 75 4.057 -12.360 14.248 1.00 0.28 H new ATOM 0 HE1 PHE A 75 -0.186 -13.794 12.117 1.00 0.26 H new ATOM 0 HE2 PHE A 75 1.940 -12.291 15.535 1.00 0.28 H new ATOM 0 HZ PHE A 75 -0.182 -13.011 14.471 1.00 0.27 H new ATOM 1125 N VAL A 76 7.318 -14.746 11.644 1.00 0.21 N ATOM 1126 CA VAL A 76 8.666 -14.820 11.025 1.00 0.22 C ATOM 1127 C VAL A 76 9.260 -16.208 11.308 1.00 0.21 C ATOM 1128 O VAL A 76 8.750 -16.954 12.122 1.00 0.20 O ATOM 1129 CB VAL A 76 9.554 -13.712 11.602 1.00 0.24 C ATOM 1130 CG1 VAL A 76 8.746 -12.427 11.750 1.00 0.16 C ATOM 1131 CG2 VAL A 76 10.099 -14.143 12.966 1.00 0.34 C ATOM 0 H VAL A 76 7.310 -14.758 12.664 1.00 0.21 H new ATOM 0 HA VAL A 76 8.602 -14.676 9.947 1.00 0.22 H new ATOM 0 HB VAL A 76 10.389 -13.533 10.924 1.00 0.24 H new ATOM 0 HG11 VAL A 76 9.382 -11.643 12.161 1.00 0.16 H new ATOM 0 HG12 VAL A 76 8.373 -12.118 10.774 1.00 0.16 H new ATOM 0 HG13 VAL A 76 7.905 -12.601 12.422 1.00 0.16 H new ATOM 0 HG21 VAL A 76 10.730 -13.352 13.372 1.00 0.34 H new ATOM 0 HG22 VAL A 76 9.269 -14.331 13.647 1.00 0.34 H new ATOM 0 HG23 VAL A 76 10.687 -15.053 12.852 1.00 0.34 H new ATOM 1141 N LYS A 77 10.312 -16.574 10.627 1.00 0.25 N ATOM 1142 CA LYS A 77 10.903 -17.931 10.845 1.00 0.23 C ATOM 1143 C LYS A 77 12.000 -17.895 11.912 1.00 0.25 C ATOM 1144 O LYS A 77 13.151 -17.645 11.624 1.00 0.28 O ATOM 1145 CB LYS A 77 11.510 -18.489 9.545 1.00 0.23 C ATOM 1146 CG LYS A 77 11.839 -17.371 8.552 1.00 0.29 C ATOM 1147 CD LYS A 77 10.620 -17.083 7.675 1.00 0.21 C ATOM 1148 CE LYS A 77 10.417 -18.232 6.687 1.00 0.52 C ATOM 1149 NZ LYS A 77 10.364 -17.689 5.301 1.00 1.54 N ATOM 0 H LYS A 77 10.787 -15.998 9.932 1.00 0.25 H new ATOM 0 HA LYS A 77 10.090 -18.576 11.178 1.00 0.23 H new ATOM 0 HB2 LYS A 77 12.416 -19.049 9.777 1.00 0.23 H new ATOM 0 HB3 LYS A 77 10.811 -19.189 9.087 1.00 0.23 H new ATOM 0 HG2 LYS A 77 12.133 -16.469 9.089 1.00 0.29 H new ATOM 0 HG3 LYS A 77 12.686 -17.662 7.930 1.00 0.29 H new ATOM 0 HD2 LYS A 77 9.732 -16.963 8.296 1.00 0.21 H new ATOM 0 HD3 LYS A 77 10.760 -16.146 7.135 1.00 0.21 H new ATOM 0 HE2 LYS A 77 11.231 -18.951 6.777 1.00 0.52 H new ATOM 0 HE3 LYS A 77 9.494 -18.765 6.916 1.00 0.52 H new ATOM 0 HZ1 LYS A 77 10.226 -18.469 4.627 1.00 1.54 H new ATOM 0 HZ2 LYS A 77 9.573 -17.018 5.221 1.00 1.54 H new ATOM 0 HZ3 LYS A 77 11.256 -17.200 5.086 1.00 1.54 H new ATOM 1163 N CYS A 78 11.663 -18.187 13.138 1.00 0.25 N ATOM 1164 CA CYS A 78 12.703 -18.213 14.207 1.00 0.28 C ATOM 1165 C CYS A 78 13.362 -19.598 14.190 1.00 0.16 C ATOM 1166 O CYS A 78 12.727 -20.567 13.824 1.00 0.17 O ATOM 1167 CB CYS A 78 12.052 -17.962 15.566 1.00 0.40 C ATOM 1168 SG CYS A 78 11.671 -16.201 15.725 1.00 2.90 S ATOM 0 H CYS A 78 10.716 -18.408 13.446 1.00 0.25 H new ATOM 0 HA CYS A 78 13.449 -17.438 14.033 1.00 0.28 H new ATOM 0 HB2 CYS A 78 11.142 -18.554 15.662 1.00 0.40 H new ATOM 0 HB3 CYS A 78 12.721 -18.276 16.367 1.00 0.40 H new ATOM 1173 N PRO A 79 14.623 -19.660 14.547 1.00 0.07 N ATOM 1174 CA PRO A 79 15.417 -18.498 14.997 1.00 0.05 C ATOM 1175 C PRO A 79 15.736 -17.534 13.867 1.00 0.12 C ATOM 1176 O PRO A 79 16.163 -17.926 12.799 1.00 0.16 O ATOM 1177 CB PRO A 79 16.718 -19.120 15.516 1.00 0.10 C ATOM 1178 CG PRO A 79 16.819 -20.517 14.881 1.00 0.16 C ATOM 1179 CD PRO A 79 15.387 -20.922 14.494 1.00 0.10 C ATOM 0 HA PRO A 79 14.872 -17.915 15.739 1.00 0.05 H new ATOM 0 HB2 PRO A 79 17.577 -18.507 15.243 1.00 0.10 H new ATOM 0 HB3 PRO A 79 16.708 -19.188 16.604 1.00 0.10 H new ATOM 0 HG2 PRO A 79 17.468 -20.500 14.005 1.00 0.16 H new ATOM 0 HG3 PRO A 79 17.249 -21.232 15.582 1.00 0.16 H new ATOM 0 HD2 PRO A 79 15.354 -21.365 13.499 1.00 0.10 H new ATOM 0 HD3 PRO A 79 14.982 -21.661 15.185 1.00 0.10 H new ATOM 1187 N LEU A 80 15.593 -16.264 14.117 1.00 0.15 N ATOM 1188 CA LEU A 80 15.956 -15.279 13.076 1.00 0.21 C ATOM 1189 C LEU A 80 17.477 -15.306 13.009 1.00 0.19 C ATOM 1190 O LEU A 80 18.133 -15.564 13.998 1.00 0.72 O ATOM 1191 CB LEU A 80 15.456 -13.886 13.468 1.00 0.24 C ATOM 1192 CG LEU A 80 13.949 -13.946 13.733 1.00 0.34 C ATOM 1193 CD1 LEU A 80 13.532 -12.747 14.581 1.00 0.31 C ATOM 1194 CD2 LEU A 80 13.187 -13.913 12.404 1.00 0.40 C ATOM 0 H LEU A 80 15.243 -15.872 14.991 1.00 0.15 H new ATOM 0 HA LEU A 80 15.507 -15.517 12.112 1.00 0.21 H new ATOM 0 HB2 LEU A 80 15.980 -13.536 14.358 1.00 0.24 H new ATOM 0 HB3 LEU A 80 15.669 -13.173 12.671 1.00 0.24 H new ATOM 0 HG LEU A 80 13.716 -14.870 14.262 1.00 0.34 H new ATOM 0 HD11 LEU A 80 12.459 -12.790 14.769 1.00 0.31 H new ATOM 0 HD12 LEU A 80 14.068 -12.768 15.530 1.00 0.31 H new ATOM 0 HD13 LEU A 80 13.770 -11.825 14.050 1.00 0.31 H new ATOM 0 HD21 LEU A 80 12.115 -13.956 12.598 1.00 0.40 H new ATOM 0 HD22 LEU A 80 13.423 -12.991 11.872 1.00 0.40 H new ATOM 0 HD23 LEU A 80 13.480 -14.768 11.795 1.00 0.40 H new ATOM 1206 N VAL A 81 18.060 -15.105 11.873 1.00 0.59 N ATOM 1207 CA VAL A 81 19.539 -15.197 11.816 1.00 0.51 C ATOM 1208 C VAL A 81 20.159 -13.861 11.422 1.00 0.45 C ATOM 1209 O VAL A 81 19.644 -13.132 10.599 1.00 0.62 O ATOM 1210 CB VAL A 81 19.921 -16.277 10.810 1.00 0.63 C ATOM 1211 CG1 VAL A 81 21.443 -16.411 10.747 1.00 0.43 C ATOM 1212 CG2 VAL A 81 19.307 -17.609 11.258 1.00 0.89 C ATOM 0 H VAL A 81 17.591 -14.885 10.994 1.00 0.59 H new ATOM 0 HA VAL A 81 19.921 -15.455 12.804 1.00 0.51 H new ATOM 0 HB VAL A 81 19.547 -16.008 9.822 1.00 0.63 H new ATOM 0 HG11 VAL A 81 21.711 -17.184 10.027 1.00 0.43 H new ATOM 0 HG12 VAL A 81 21.879 -15.461 10.439 1.00 0.43 H new ATOM 0 HG13 VAL A 81 21.825 -16.684 11.731 1.00 0.43 H new ATOM 0 HG21 VAL A 81 19.573 -18.390 10.546 1.00 0.89 H new ATOM 0 HG22 VAL A 81 19.689 -17.872 12.245 1.00 0.89 H new ATOM 0 HG23 VAL A 81 18.222 -17.513 11.302 1.00 0.89 H new ATOM 1222 N LYS A 82 21.271 -13.546 12.020 1.00 0.26 N ATOM 1223 CA LYS A 82 21.967 -12.280 11.723 1.00 0.22 C ATOM 1224 C LYS A 82 22.459 -12.285 10.285 1.00 0.27 C ATOM 1225 O LYS A 82 23.422 -12.943 9.944 1.00 0.41 O ATOM 1226 CB LYS A 82 23.147 -12.166 12.679 1.00 0.09 C ATOM 1227 CG LYS A 82 23.757 -10.782 12.560 1.00 0.25 C ATOM 1228 CD LYS A 82 25.082 -10.737 13.326 1.00 0.41 C ATOM 1229 CE LYS A 82 25.120 -11.873 14.353 1.00 0.40 C ATOM 1230 NZ LYS A 82 26.381 -11.789 15.144 1.00 0.56 N ATOM 0 H LYS A 82 21.732 -14.131 12.717 1.00 0.26 H new ATOM 0 HA LYS A 82 21.292 -11.433 11.849 1.00 0.22 H new ATOM 0 HB2 LYS A 82 22.819 -12.344 13.703 1.00 0.09 H new ATOM 0 HB3 LYS A 82 23.893 -12.926 12.446 1.00 0.09 H new ATOM 0 HG2 LYS A 82 23.923 -10.536 11.511 1.00 0.25 H new ATOM 0 HG3 LYS A 82 23.070 -10.035 12.958 1.00 0.25 H new ATOM 0 HD2 LYS A 82 25.918 -10.832 12.633 1.00 0.41 H new ATOM 0 HD3 LYS A 82 25.191 -9.776 13.828 1.00 0.41 H new ATOM 0 HE2 LYS A 82 24.258 -11.806 15.016 1.00 0.40 H new ATOM 0 HE3 LYS A 82 25.059 -12.837 13.847 1.00 0.40 H new ATOM 0 HZ1 LYS A 82 26.406 -12.561 15.841 1.00 0.56 H new ATOM 0 HZ2 LYS A 82 27.198 -11.873 14.505 1.00 0.56 H new ATOM 0 HZ3 LYS A 82 26.421 -10.875 15.638 1.00 0.56 H new ATOM 1244 N GLY A 83 21.805 -11.544 9.440 1.00 0.17 N ATOM 1245 CA GLY A 83 22.235 -11.494 8.025 1.00 0.20 C ATOM 1246 C GLY A 83 21.081 -11.914 7.110 1.00 0.16 C ATOM 1247 O GLY A 83 21.070 -11.615 5.933 1.00 0.23 O ATOM 0 H GLY A 83 20.992 -10.972 9.670 1.00 0.17 H new ATOM 0 HA2 GLY A 83 22.562 -10.486 7.771 1.00 0.20 H new ATOM 0 HA3 GLY A 83 23.089 -12.154 7.873 1.00 0.20 H new ATOM 1251 N GLN A 84 20.101 -12.594 7.642 1.00 0.09 N ATOM 1252 CA GLN A 84 18.944 -13.017 6.803 1.00 0.09 C ATOM 1253 C GLN A 84 17.848 -11.981 6.968 1.00 0.10 C ATOM 1254 O GLN A 84 17.823 -11.255 7.935 1.00 0.14 O ATOM 1255 CB GLN A 84 18.431 -14.388 7.277 1.00 0.11 C ATOM 1256 CG GLN A 84 16.957 -14.591 6.877 1.00 0.12 C ATOM 1257 CD GLN A 84 16.870 -14.845 5.370 1.00 0.18 C ATOM 1258 OE1 GLN A 84 17.852 -14.728 4.666 1.00 0.44 O ATOM 1259 NE2 GLN A 84 15.729 -15.196 4.844 1.00 0.13 N ATOM 0 H GLN A 84 20.052 -12.875 8.621 1.00 0.09 H new ATOM 0 HA GLN A 84 19.242 -13.098 5.758 1.00 0.09 H new ATOM 0 HB2 GLN A 84 19.042 -15.179 6.843 1.00 0.11 H new ATOM 0 HB3 GLN A 84 18.532 -14.464 8.360 1.00 0.11 H new ATOM 0 HG2 GLN A 84 16.533 -15.433 7.424 1.00 0.12 H new ATOM 0 HG3 GLN A 84 16.372 -13.711 7.143 1.00 0.12 H new ATOM 0 HE21 GLN A 84 14.904 -15.294 5.435 1.00 0.13 H new ATOM 0 HE22 GLN A 84 15.662 -15.372 3.842 1.00 0.13 H new ATOM 1268 N GLN A 85 16.931 -11.910 6.056 1.00 0.10 N ATOM 1269 CA GLN A 85 15.844 -10.923 6.213 1.00 0.12 C ATOM 1270 C GLN A 85 14.550 -11.675 6.497 1.00 0.12 C ATOM 1271 O GLN A 85 14.357 -12.791 6.054 1.00 0.14 O ATOM 1272 CB GLN A 85 15.705 -10.086 4.947 1.00 0.17 C ATOM 1273 CG GLN A 85 14.229 -9.934 4.621 1.00 0.14 C ATOM 1274 CD GLN A 85 14.067 -9.057 3.380 1.00 0.21 C ATOM 1275 OE1 GLN A 85 13.269 -8.142 3.367 1.00 0.46 O ATOM 1276 NE2 GLN A 85 14.801 -9.299 2.328 1.00 0.19 N ATOM 0 H GLN A 85 16.887 -12.487 5.216 1.00 0.10 H new ATOM 0 HA GLN A 85 16.069 -10.248 7.039 1.00 0.12 H new ATOM 0 HB2 GLN A 85 16.163 -9.107 5.089 1.00 0.17 H new ATOM 0 HB3 GLN A 85 16.227 -10.565 4.119 1.00 0.17 H new ATOM 0 HG2 GLN A 85 13.782 -10.913 4.448 1.00 0.14 H new ATOM 0 HG3 GLN A 85 13.704 -9.488 5.465 1.00 0.14 H new ATOM 0 HE21 GLN A 85 15.471 -10.068 2.340 1.00 0.19 H new ATOM 0 HE22 GLN A 85 14.704 -8.719 1.494 1.00 0.19 H new ATOM 1285 N TYR A 86 13.672 -11.087 7.249 1.00 0.12 N ATOM 1286 CA TYR A 86 12.406 -11.779 7.582 1.00 0.15 C ATOM 1287 C TYR A 86 11.220 -10.872 7.268 1.00 0.15 C ATOM 1288 O TYR A 86 11.304 -9.664 7.358 1.00 0.16 O ATOM 1289 CB TYR A 86 12.424 -12.130 9.068 1.00 0.16 C ATOM 1290 CG TYR A 86 13.468 -13.181 9.301 1.00 0.17 C ATOM 1291 CD1 TYR A 86 14.824 -12.858 9.206 1.00 0.13 C ATOM 1292 CD2 TYR A 86 13.076 -14.482 9.594 1.00 0.29 C ATOM 1293 CE1 TYR A 86 15.790 -13.847 9.409 1.00 0.14 C ATOM 1294 CE2 TYR A 86 14.038 -15.474 9.794 1.00 0.31 C ATOM 1295 CZ TYR A 86 15.397 -15.159 9.703 1.00 0.20 C ATOM 1296 OH TYR A 86 16.345 -16.142 9.895 1.00 0.24 O ATOM 0 H TYR A 86 13.777 -10.154 7.649 1.00 0.12 H new ATOM 0 HA TYR A 86 12.308 -12.688 6.989 1.00 0.15 H new ATOM 0 HB2 TYR A 86 12.641 -11.243 9.663 1.00 0.16 H new ATOM 0 HB3 TYR A 86 11.446 -12.493 9.382 1.00 0.16 H new ATOM 0 HD1 TYR A 86 15.125 -11.846 8.976 1.00 0.13 H new ATOM 0 HD2 TYR A 86 12.026 -14.726 9.667 1.00 0.29 H new ATOM 0 HE1 TYR A 86 16.839 -13.600 9.339 1.00 0.14 H new ATOM 0 HE2 TYR A 86 13.732 -16.485 10.019 1.00 0.31 H new ATOM 0 HH TYR A 86 15.899 -16.992 10.091 1.00 0.24 H new ATOM 1306 N ASP A 87 10.114 -11.451 6.900 1.00 0.20 N ATOM 1307 CA ASP A 87 8.918 -10.632 6.577 1.00 0.23 C ATOM 1308 C ASP A 87 7.799 -11.004 7.542 1.00 0.18 C ATOM 1309 O ASP A 87 7.302 -12.112 7.533 1.00 0.17 O ATOM 1310 CB ASP A 87 8.473 -10.924 5.143 1.00 0.34 C ATOM 1311 CG ASP A 87 8.037 -12.387 5.038 1.00 0.37 C ATOM 1312 OD1 ASP A 87 8.881 -13.249 5.215 1.00 0.98 O ATOM 1313 OD2 ASP A 87 6.866 -12.620 4.786 1.00 0.39 O ATOM 0 H ASP A 87 9.987 -12.459 6.809 1.00 0.20 H new ATOM 0 HA ASP A 87 9.154 -9.572 6.670 1.00 0.23 H new ATOM 0 HB2 ASP A 87 7.650 -10.266 4.864 1.00 0.34 H new ATOM 0 HB3 ASP A 87 9.289 -10.725 4.449 1.00 0.34 H new ATOM 1318 N ILE A 88 7.406 -10.095 8.384 1.00 0.15 N ATOM 1319 CA ILE A 88 6.328 -10.412 9.352 1.00 0.12 C ATOM 1320 C ILE A 88 5.043 -9.683 8.999 1.00 0.14 C ATOM 1321 O ILE A 88 4.966 -8.471 9.027 1.00 0.16 O ATOM 1322 CB ILE A 88 6.730 -9.985 10.757 1.00 0.11 C ATOM 1323 CG1 ILE A 88 5.481 -9.995 11.642 1.00 0.15 C ATOM 1324 CG2 ILE A 88 7.304 -8.567 10.728 1.00 0.19 C ATOM 1325 CD1 ILE A 88 5.886 -10.168 13.100 1.00 0.14 C ATOM 0 H ILE A 88 7.784 -9.149 8.443 1.00 0.15 H new ATOM 0 HA ILE A 88 6.168 -11.489 9.310 1.00 0.12 H new ATOM 0 HB ILE A 88 7.484 -10.669 11.146 1.00 0.11 H new ATOM 0 HG12 ILE A 88 4.927 -9.065 11.516 1.00 0.15 H new ATOM 0 HG13 ILE A 88 4.816 -10.805 11.341 1.00 0.15 H new ATOM 0 HG21 ILE A 88 7.589 -8.269 11.737 1.00 0.19 H new ATOM 0 HG22 ILE A 88 8.181 -8.543 10.081 1.00 0.19 H new ATOM 0 HG23 ILE A 88 6.551 -7.878 10.345 1.00 0.19 H new ATOM 0 HD11 ILE A 88 4.994 -10.175 13.727 1.00 0.14 H new ATOM 0 HD12 ILE A 88 6.421 -11.110 13.220 1.00 0.14 H new ATOM 0 HD13 ILE A 88 6.533 -9.343 13.398 1.00 0.14 H new ATOM 1337 N LYS A 89 4.017 -10.427 8.737 1.00 0.17 N ATOM 1338 CA LYS A 89 2.695 -9.813 8.462 1.00 0.21 C ATOM 1339 C LYS A 89 1.933 -9.936 9.774 1.00 0.24 C ATOM 1340 O LYS A 89 1.591 -11.024 10.195 1.00 0.20 O ATOM 1341 CB LYS A 89 1.980 -10.575 7.345 1.00 0.18 C ATOM 1342 CG LYS A 89 0.574 -10.007 7.162 1.00 0.20 C ATOM 1343 CD LYS A 89 -0.452 -11.023 7.664 1.00 1.57 C ATOM 1344 CE LYS A 89 -1.704 -10.292 8.148 1.00 2.37 C ATOM 1345 NZ LYS A 89 -2.687 -11.287 8.663 1.00 3.75 N ATOM 0 H LYS A 89 4.035 -11.446 8.701 1.00 0.17 H new ATOM 0 HA LYS A 89 2.775 -8.777 8.131 1.00 0.21 H new ATOM 0 HB2 LYS A 89 2.542 -10.491 6.415 1.00 0.18 H new ATOM 0 HB3 LYS A 89 1.926 -11.636 7.590 1.00 0.18 H new ATOM 0 HG2 LYS A 89 0.474 -9.071 7.711 1.00 0.20 H new ATOM 0 HG3 LYS A 89 0.395 -9.781 6.111 1.00 0.20 H new ATOM 0 HD2 LYS A 89 -0.711 -11.718 6.866 1.00 1.57 H new ATOM 0 HD3 LYS A 89 -0.027 -11.613 8.476 1.00 1.57 H new ATOM 0 HE2 LYS A 89 -1.444 -9.581 8.932 1.00 2.37 H new ATOM 0 HE3 LYS A 89 -2.143 -9.719 7.331 1.00 2.37 H new ATOM 0 HZ1 LYS A 89 -3.540 -10.793 8.993 1.00 3.75 H new ATOM 0 HZ2 LYS A 89 -2.942 -11.948 7.902 1.00 3.75 H new ATOM 0 HZ3 LYS A 89 -2.265 -11.815 9.453 1.00 3.75 H new ATOM 1359 N TYR A 90 1.736 -8.857 10.474 1.00 0.35 N ATOM 1360 CA TYR A 90 1.083 -8.981 11.801 1.00 0.37 C ATOM 1361 C TYR A 90 -0.167 -8.118 11.935 1.00 0.36 C ATOM 1362 O TYR A 90 -0.219 -6.985 11.500 1.00 0.38 O ATOM 1363 CB TYR A 90 2.076 -8.564 12.889 1.00 0.39 C ATOM 1364 CG TYR A 90 1.391 -8.713 14.208 1.00 0.35 C ATOM 1365 CD1 TYR A 90 0.733 -9.905 14.487 1.00 0.33 C ATOM 1366 CD2 TYR A 90 1.376 -7.661 15.132 1.00 0.35 C ATOM 1367 CE1 TYR A 90 0.060 -10.063 15.690 1.00 0.31 C ATOM 1368 CE2 TYR A 90 0.693 -7.813 16.339 1.00 0.32 C ATOM 1369 CZ TYR A 90 0.034 -9.019 16.618 1.00 0.30 C ATOM 1370 OH TYR A 90 -0.652 -9.173 17.799 1.00 0.28 O ATOM 0 H TYR A 90 1.994 -7.911 10.191 1.00 0.35 H new ATOM 0 HA TYR A 90 0.779 -10.022 11.909 1.00 0.37 H new ATOM 0 HB2 TYR A 90 2.970 -9.186 12.850 1.00 0.39 H new ATOM 0 HB3 TYR A 90 2.398 -7.533 12.739 1.00 0.39 H new ATOM 0 HD1 TYR A 90 0.746 -10.709 13.766 1.00 0.33 H new ATOM 0 HD2 TYR A 90 1.890 -6.737 14.912 1.00 0.35 H new ATOM 0 HE1 TYR A 90 -0.444 -10.993 15.909 1.00 0.31 H new ATOM 0 HE2 TYR A 90 0.672 -7.005 17.056 1.00 0.32 H new ATOM 0 HH TYR A 90 -0.770 -10.128 17.986 1.00 0.28 H new ATOM 1380 N THR A 91 -1.156 -8.654 12.602 1.00 0.31 N ATOM 1381 CA THR A 91 -2.403 -7.892 12.861 1.00 0.24 C ATOM 1382 C THR A 91 -2.205 -7.191 14.205 1.00 0.29 C ATOM 1383 O THR A 91 -1.536 -7.699 15.080 1.00 0.99 O ATOM 1384 CB THR A 91 -3.596 -8.851 12.940 1.00 0.17 C ATOM 1385 OG1 THR A 91 -3.121 -10.190 12.940 1.00 0.27 O ATOM 1386 CG2 THR A 91 -4.519 -8.634 11.736 1.00 0.34 C ATOM 0 H THR A 91 -1.147 -9.601 12.981 1.00 0.31 H new ATOM 0 HA THR A 91 -2.604 -7.175 12.065 1.00 0.24 H new ATOM 0 HB THR A 91 -4.155 -8.659 13.856 1.00 0.17 H new ATOM 0 HG1 THR A 91 -3.881 -10.807 12.992 1.00 0.27 H new ATOM 0 HG21 THR A 91 -5.365 -9.319 11.798 1.00 0.34 H new ATOM 0 HG22 THR A 91 -4.883 -7.607 11.737 1.00 0.34 H new ATOM 0 HG23 THR A 91 -3.967 -8.822 10.815 1.00 0.34 H new ATOM 1394 N TRP A 92 -2.730 -6.018 14.368 1.00 0.64 N ATOM 1395 CA TRP A 92 -2.509 -5.281 15.643 1.00 0.55 C ATOM 1396 C TRP A 92 -3.851 -4.900 16.261 1.00 0.52 C ATOM 1397 O TRP A 92 -4.334 -3.799 16.100 1.00 0.59 O ATOM 1398 CB TRP A 92 -1.689 -4.041 15.301 1.00 0.56 C ATOM 1399 CG TRP A 92 -1.311 -3.261 16.513 1.00 0.43 C ATOM 1400 CD1 TRP A 92 -0.567 -3.727 17.538 1.00 0.32 C ATOM 1401 CD2 TRP A 92 -1.607 -1.867 16.819 1.00 0.39 C ATOM 1402 NE1 TRP A 92 -0.382 -2.704 18.453 1.00 0.22 N ATOM 1403 CE2 TRP A 92 -1.001 -1.541 18.049 1.00 0.24 C ATOM 1404 CE3 TRP A 92 -2.336 -0.862 16.157 1.00 0.50 C ATOM 1405 CZ2 TRP A 92 -1.101 -0.265 18.593 1.00 0.16 C ATOM 1406 CZ3 TRP A 92 -2.442 0.423 16.716 1.00 0.44 C ATOM 1407 CH2 TRP A 92 -1.824 0.718 17.928 1.00 0.27 C ATOM 0 H TRP A 92 -3.303 -5.533 13.677 1.00 0.64 H new ATOM 0 HA TRP A 92 -1.979 -5.894 16.372 1.00 0.55 H new ATOM 0 HB2 TRP A 92 -0.786 -4.341 14.768 1.00 0.56 H new ATOM 0 HB3 TRP A 92 -2.261 -3.405 14.626 1.00 0.56 H new ATOM 0 HD1 TRP A 92 -0.180 -4.731 17.630 1.00 0.32 H new ATOM 0 HE1 TRP A 92 0.147 -2.800 19.320 1.00 0.22 H new ATOM 0 HE3 TRP A 92 -2.817 -1.079 15.215 1.00 0.50 H new ATOM 0 HZ2 TRP A 92 -0.617 -0.038 19.532 1.00 0.16 H new ATOM 0 HZ3 TRP A 92 -3.007 1.187 16.202 1.00 0.44 H new ATOM 0 HH2 TRP A 92 -1.906 1.709 18.351 1.00 0.27 H new ATOM 1418 N ASN A 93 -4.456 -5.813 16.968 1.00 0.53 N ATOM 1419 CA ASN A 93 -5.771 -5.520 17.595 1.00 0.50 C ATOM 1420 C ASN A 93 -5.620 -4.356 18.573 1.00 0.54 C ATOM 1421 O ASN A 93 -5.086 -4.502 19.654 1.00 0.70 O ATOM 1422 CB ASN A 93 -6.260 -6.758 18.353 1.00 0.58 C ATOM 1423 CG ASN A 93 -7.544 -7.290 17.712 1.00 0.72 C ATOM 1424 OD1 ASN A 93 -8.121 -6.654 16.852 1.00 0.51 O ATOM 1425 ND2 ASN A 93 -8.019 -8.442 18.101 1.00 1.35 N ATOM 0 H ASN A 93 -4.094 -6.751 17.138 1.00 0.53 H new ATOM 0 HA ASN A 93 -6.492 -5.256 16.821 1.00 0.50 H new ATOM 0 HB2 ASN A 93 -5.491 -7.530 18.340 1.00 0.58 H new ATOM 0 HB3 ASN A 93 -6.442 -6.507 19.398 1.00 0.58 H new ATOM 0 HD21 ASN A 93 -8.874 -8.808 17.683 1.00 1.35 H new ATOM 0 HD22 ASN A 93 -7.535 -8.976 18.823 1.00 1.35 H new ATOM 1432 N VAL A 94 -6.105 -3.205 18.203 1.00 0.58 N ATOM 1433 CA VAL A 94 -6.015 -2.029 19.107 1.00 0.79 C ATOM 1434 C VAL A 94 -6.672 -2.401 20.442 1.00 0.90 C ATOM 1435 O VAL A 94 -7.642 -3.133 20.462 1.00 0.92 O ATOM 1436 CB VAL A 94 -6.761 -0.857 18.451 1.00 1.02 C ATOM 1437 CG1 VAL A 94 -6.544 0.427 19.248 1.00 1.22 C ATOM 1438 CG2 VAL A 94 -6.231 -0.652 17.033 1.00 1.03 C ATOM 0 H VAL A 94 -6.562 -3.029 17.308 1.00 0.58 H new ATOM 0 HA VAL A 94 -4.979 -1.741 19.282 1.00 0.79 H new ATOM 0 HB VAL A 94 -7.826 -1.089 18.428 1.00 1.02 H new ATOM 0 HG11 VAL A 94 -7.079 1.247 18.769 1.00 1.22 H new ATOM 0 HG12 VAL A 94 -6.918 0.293 20.263 1.00 1.22 H new ATOM 0 HG13 VAL A 94 -5.480 0.659 19.281 1.00 1.22 H new ATOM 0 HG21 VAL A 94 -6.758 0.179 16.564 1.00 1.03 H new ATOM 0 HG22 VAL A 94 -5.165 -0.430 17.072 1.00 1.03 H new ATOM 0 HG23 VAL A 94 -6.392 -1.559 16.450 1.00 1.03 H new ATOM 1448 N PRO A 95 -6.131 -1.893 21.521 1.00 1.02 N ATOM 1449 CA PRO A 95 -6.664 -2.166 22.874 1.00 1.22 C ATOM 1450 C PRO A 95 -8.077 -1.606 23.063 1.00 1.59 C ATOM 1451 O PRO A 95 -8.713 -1.850 24.068 1.00 3.70 O ATOM 1452 CB PRO A 95 -5.660 -1.476 23.806 1.00 1.11 C ATOM 1453 CG PRO A 95 -4.913 -0.441 22.943 1.00 1.02 C ATOM 1454 CD PRO A 95 -4.957 -0.987 21.505 1.00 1.00 C ATOM 0 HA PRO A 95 -6.762 -3.234 23.070 1.00 1.22 H new ATOM 0 HB2 PRO A 95 -6.171 -0.992 24.639 1.00 1.11 H new ATOM 0 HB3 PRO A 95 -4.966 -2.199 24.234 1.00 1.11 H new ATOM 0 HG2 PRO A 95 -5.390 0.537 23.005 1.00 1.02 H new ATOM 0 HG3 PRO A 95 -3.885 -0.317 23.283 1.00 1.02 H new ATOM 0 HD2 PRO A 95 -5.076 -0.187 20.774 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -4.041 -1.519 21.248 1.00 1.00 H new ATOM 1462 N LYS A 96 -8.571 -0.854 22.117 1.00 0.74 N ATOM 1463 CA LYS A 96 -9.943 -0.273 22.249 1.00 0.63 C ATOM 1464 C LYS A 96 -9.920 0.898 23.236 1.00 0.56 C ATOM 1465 O LYS A 96 -10.872 1.645 23.344 1.00 0.67 O ATOM 1466 CB LYS A 96 -10.922 -1.337 22.747 1.00 0.80 C ATOM 1467 CG LYS A 96 -10.752 -2.609 21.921 1.00 0.87 C ATOM 1468 CD LYS A 96 -12.076 -2.956 21.259 1.00 0.78 C ATOM 1469 CE LYS A 96 -12.972 -3.691 22.257 1.00 1.78 C ATOM 1470 NZ LYS A 96 -13.953 -2.733 22.842 1.00 1.36 N ATOM 0 H LYS A 96 -8.083 -0.615 21.254 1.00 0.74 H new ATOM 0 HA LYS A 96 -10.267 0.082 21.271 1.00 0.63 H new ATOM 0 HB2 LYS A 96 -10.742 -1.548 23.801 1.00 0.80 H new ATOM 0 HB3 LYS A 96 -11.946 -0.972 22.666 1.00 0.80 H new ATOM 0 HG2 LYS A 96 -9.980 -2.465 21.165 1.00 0.87 H new ATOM 0 HG3 LYS A 96 -10.424 -3.430 22.559 1.00 0.87 H new ATOM 0 HD2 LYS A 96 -12.569 -2.048 20.912 1.00 0.78 H new ATOM 0 HD3 LYS A 96 -11.903 -3.580 20.382 1.00 0.78 H new ATOM 0 HE2 LYS A 96 -13.496 -4.507 21.759 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -12.367 -4.136 23.047 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -14.748 -3.260 23.257 1.00 1.36 H new ATOM 0 HZ2 LYS A 96 -13.488 -2.169 23.582 1.00 1.36 H new ATOM 0 HZ3 LYS A 96 -14.308 -2.101 22.096 1.00 1.36 H new ATOM 1484 N ILE A 97 -8.839 1.076 23.951 1.00 0.42 N ATOM 1485 CA ILE A 97 -8.762 2.201 24.910 1.00 0.40 C ATOM 1486 C ILE A 97 -8.168 3.393 24.190 1.00 0.42 C ATOM 1487 O ILE A 97 -8.443 4.529 24.522 1.00 0.50 O ATOM 1488 CB ILE A 97 -7.840 1.819 26.061 1.00 0.27 C ATOM 1489 CG1 ILE A 97 -6.386 1.826 25.570 1.00 0.24 C ATOM 1490 CG2 ILE A 97 -8.206 0.425 26.571 1.00 0.19 C ATOM 1491 CD1 ILE A 97 -5.445 1.615 26.755 1.00 0.12 C ATOM 0 H ILE A 97 -8.008 0.486 23.907 1.00 0.42 H new ATOM 0 HA ILE A 97 -9.754 2.435 25.296 1.00 0.40 H new ATOM 0 HB ILE A 97 -7.953 2.537 26.873 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -6.237 1.040 24.830 1.00 0.24 H new ATOM 0 HG13 ILE A 97 -6.162 2.773 25.078 1.00 0.24 H new ATOM 0 HG21 ILE A 97 -7.545 0.154 27.394 1.00 0.19 H new ATOM 0 HG22 ILE A 97 -9.239 0.425 26.919 1.00 0.19 H new ATOM 0 HG23 ILE A 97 -8.095 -0.299 25.763 1.00 0.19 H new ATOM 0 HD11 ILE A 97 -4.413 1.620 26.405 1.00 0.12 H new ATOM 0 HD12 ILE A 97 -5.587 2.417 27.479 1.00 0.12 H new ATOM 0 HD13 ILE A 97 -5.663 0.657 27.227 1.00 0.12 H new ATOM 1503 N ALA A 98 -7.352 3.128 23.201 1.00 0.42 N ATOM 1504 CA ALA A 98 -6.729 4.235 22.430 1.00 0.46 C ATOM 1505 C ALA A 98 -7.765 5.351 22.288 1.00 0.55 C ATOM 1506 O ALA A 98 -8.791 5.166 21.664 1.00 0.65 O ATOM 1507 CB ALA A 98 -6.319 3.745 21.046 1.00 0.51 C ATOM 0 H ALA A 98 -7.093 2.189 22.897 1.00 0.42 H new ATOM 0 HA ALA A 98 -5.840 4.597 22.947 1.00 0.46 H new ATOM 0 HB1 ALA A 98 -5.864 4.565 20.490 1.00 0.51 H new ATOM 0 HB2 ALA A 98 -5.601 2.931 21.146 1.00 0.51 H new ATOM 0 HB3 ALA A 98 -7.199 3.388 20.511 1.00 0.51 H new ATOM 1513 N PRO A 99 -7.483 6.456 22.909 1.00 0.52 N ATOM 1514 CA PRO A 99 -8.388 7.615 22.922 1.00 0.60 C ATOM 1515 C PRO A 99 -8.291 8.382 21.607 1.00 0.68 C ATOM 1516 O PRO A 99 -7.509 8.045 20.743 1.00 1.32 O ATOM 1517 CB PRO A 99 -7.863 8.454 24.096 1.00 0.59 C ATOM 1518 CG PRO A 99 -6.390 8.032 24.315 1.00 0.52 C ATOM 1519 CD PRO A 99 -6.222 6.657 23.644 1.00 0.43 C ATOM 0 HA PRO A 99 -9.439 7.346 23.031 1.00 0.60 H new ATOM 0 HB2 PRO A 99 -7.932 9.519 23.873 1.00 0.59 H new ATOM 0 HB3 PRO A 99 -8.455 8.277 24.994 1.00 0.59 H new ATOM 0 HG2 PRO A 99 -5.709 8.762 23.878 1.00 0.52 H new ATOM 0 HG3 PRO A 99 -6.157 7.975 25.378 1.00 0.52 H new ATOM 0 HD2 PRO A 99 -5.363 6.644 22.973 1.00 0.43 H new ATOM 0 HD3 PRO A 99 -6.062 5.871 24.382 1.00 0.43 H new ATOM 1527 N LYS A 100 -9.072 9.416 21.454 1.00 0.26 N ATOM 1528 CA LYS A 100 -9.005 10.216 20.202 1.00 0.22 C ATOM 1529 C LYS A 100 -7.837 11.192 20.340 1.00 0.30 C ATOM 1530 O LYS A 100 -8.017 12.387 20.464 1.00 0.65 O ATOM 1531 CB LYS A 100 -10.314 10.988 20.012 1.00 0.19 C ATOM 1532 CG LYS A 100 -11.497 10.026 20.155 1.00 0.24 C ATOM 1533 CD LYS A 100 -12.397 10.124 18.919 1.00 0.17 C ATOM 1534 CE LYS A 100 -12.747 11.589 18.647 1.00 0.12 C ATOM 1535 NZ LYS A 100 -13.984 11.653 17.817 1.00 0.48 N ATOM 0 H LYS A 100 -9.752 9.740 22.142 1.00 0.26 H new ATOM 0 HA LYS A 100 -8.860 9.569 19.337 1.00 0.22 H new ATOM 0 HB2 LYS A 100 -10.389 11.786 20.750 1.00 0.19 H new ATOM 0 HB3 LYS A 100 -10.331 11.460 19.030 1.00 0.19 H new ATOM 0 HG2 LYS A 100 -11.135 9.005 20.273 1.00 0.24 H new ATOM 0 HG3 LYS A 100 -12.068 10.267 21.052 1.00 0.24 H new ATOM 0 HD2 LYS A 100 -11.891 9.695 18.054 1.00 0.17 H new ATOM 0 HD3 LYS A 100 -13.308 9.546 19.074 1.00 0.17 H new ATOM 0 HE2 LYS A 100 -12.898 12.120 19.587 1.00 0.12 H new ATOM 0 HE3 LYS A 100 -11.923 12.082 18.131 1.00 0.12 H new ATOM 0 HZ1 LYS A 100 -14.225 12.647 17.630 1.00 0.48 H new ATOM 0 HZ2 LYS A 100 -13.823 11.160 16.915 1.00 0.48 H new ATOM 0 HZ3 LYS A 100 -14.768 11.196 18.326 1.00 0.48 H new ATOM 1549 N SER A 101 -6.636 10.679 20.343 1.00 0.25 N ATOM 1550 CA SER A 101 -5.444 11.549 20.499 1.00 0.31 C ATOM 1551 C SER A 101 -5.245 12.377 19.233 1.00 0.22 C ATOM 1552 O SER A 101 -5.036 11.844 18.162 1.00 0.13 O ATOM 1553 CB SER A 101 -4.215 10.667 20.738 1.00 0.35 C ATOM 1554 OG SER A 101 -3.198 11.437 21.364 1.00 0.51 O ATOM 0 H SER A 101 -6.432 9.685 20.243 1.00 0.25 H new ATOM 0 HA SER A 101 -5.585 12.222 21.345 1.00 0.31 H new ATOM 0 HB2 SER A 101 -4.481 9.816 21.365 1.00 0.35 H new ATOM 0 HB3 SER A 101 -3.852 10.265 19.792 1.00 0.35 H new ATOM 0 HG SER A 101 -2.513 11.673 20.704 1.00 0.51 H new ATOM 1560 N GLU A 102 -5.302 13.678 19.352 1.00 0.30 N ATOM 1561 CA GLU A 102 -5.103 14.548 18.159 1.00 0.29 C ATOM 1562 C GLU A 102 -3.963 13.975 17.321 1.00 0.21 C ATOM 1563 O GLU A 102 -4.072 13.823 16.122 1.00 0.20 O ATOM 1564 CB GLU A 102 -4.737 15.961 18.619 1.00 0.41 C ATOM 1565 CG GLU A 102 -3.659 15.877 19.705 1.00 0.84 C ATOM 1566 CD GLU A 102 -3.924 16.933 20.779 1.00 1.56 C ATOM 1567 OE1 GLU A 102 -3.622 18.089 20.531 1.00 1.99 O ATOM 1568 OE2 GLU A 102 -4.420 16.568 21.832 1.00 1.89 O ATOM 0 H GLU A 102 -5.478 14.174 20.226 1.00 0.30 H new ATOM 0 HA GLU A 102 -6.017 14.587 17.567 1.00 0.29 H new ATOM 0 HB2 GLU A 102 -4.374 16.548 17.775 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -5.620 16.470 19.005 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -3.656 14.883 20.152 1.00 0.84 H new ATOM 0 HG3 GLU A 102 -2.674 16.031 19.265 1.00 0.84 H new ATOM 1575 N ASN A 103 -2.874 13.642 17.957 1.00 0.20 N ATOM 1576 CA ASN A 103 -1.721 13.058 17.222 1.00 0.16 C ATOM 1577 C ASN A 103 -1.254 11.795 17.948 1.00 0.15 C ATOM 1578 O ASN A 103 -1.238 11.736 19.161 1.00 0.26 O ATOM 1579 CB ASN A 103 -0.574 14.069 17.175 1.00 0.24 C ATOM 1580 CG ASN A 103 0.253 13.843 15.910 1.00 0.71 C ATOM 1581 OD1 ASN A 103 1.060 12.936 15.850 1.00 2.95 O ATOM 1582 ND2 ASN A 103 0.083 14.633 14.886 1.00 1.36 N ATOM 0 H ASN A 103 -2.734 13.751 18.961 1.00 0.20 H new ATOM 0 HA ASN A 103 -2.024 12.811 16.205 1.00 0.16 H new ATOM 0 HB2 ASN A 103 -0.970 15.085 17.187 1.00 0.24 H new ATOM 0 HB3 ASN A 103 0.056 13.962 18.058 1.00 0.24 H new ATOM 0 HD21 ASN A 103 0.627 14.490 14.035 1.00 1.36 H new ATOM 0 HD22 ASN A 103 -0.594 15.394 14.936 1.00 1.36 H new ATOM 1589 N VAL A 104 -0.873 10.784 17.220 1.00 0.15 N ATOM 1590 CA VAL A 104 -0.407 9.532 17.872 1.00 0.13 C ATOM 1591 C VAL A 104 0.905 9.085 17.235 1.00 0.18 C ATOM 1592 O VAL A 104 1.097 9.194 16.041 1.00 0.24 O ATOM 1593 CB VAL A 104 -1.462 8.438 17.691 1.00 0.21 C ATOM 1594 CG1 VAL A 104 -0.777 7.109 17.362 1.00 0.56 C ATOM 1595 CG2 VAL A 104 -2.262 8.288 18.987 1.00 0.48 C ATOM 0 H VAL A 104 -0.865 10.772 16.200 1.00 0.15 H new ATOM 0 HA VAL A 104 -0.251 9.713 18.936 1.00 0.13 H new ATOM 0 HB VAL A 104 -2.130 8.712 16.874 1.00 0.21 H new ATOM 0 HG11 VAL A 104 -1.531 6.333 17.234 1.00 0.56 H new ATOM 0 HG12 VAL A 104 -0.204 7.213 16.441 1.00 0.56 H new ATOM 0 HG13 VAL A 104 -0.107 6.833 18.177 1.00 0.56 H new ATOM 0 HG21 VAL A 104 -3.015 7.510 18.862 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.589 8.015 19.800 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.753 9.232 19.223 1.00 0.48 H new ATOM 1605 N VAL A 105 1.803 8.562 18.018 1.00 0.23 N ATOM 1606 CA VAL A 105 3.090 8.086 17.454 1.00 0.33 C ATOM 1607 C VAL A 105 3.185 6.590 17.718 1.00 0.26 C ATOM 1608 O VAL A 105 3.187 6.152 18.848 1.00 0.19 O ATOM 1609 CB VAL A 105 4.252 8.807 18.140 1.00 0.43 C ATOM 1610 CG1 VAL A 105 5.505 7.932 18.073 1.00 0.92 C ATOM 1611 CG2 VAL A 105 4.522 10.133 17.426 1.00 0.52 C ATOM 0 H VAL A 105 1.700 8.444 19.026 1.00 0.23 H new ATOM 0 HA VAL A 105 3.139 8.290 16.384 1.00 0.33 H new ATOM 0 HB VAL A 105 3.996 8.999 19.182 1.00 0.43 H new ATOM 0 HG11 VAL A 105 6.333 8.445 18.562 1.00 0.92 H new ATOM 0 HG12 VAL A 105 5.315 6.985 18.579 1.00 0.92 H new ATOM 0 HG13 VAL A 105 5.760 7.741 17.031 1.00 0.92 H new ATOM 0 HG21 VAL A 105 5.350 10.647 17.914 1.00 0.52 H new ATOM 0 HG22 VAL A 105 4.779 9.940 16.384 1.00 0.52 H new ATOM 0 HG23 VAL A 105 3.630 10.758 17.470 1.00 0.52 H new ATOM 1621 N VAL A 106 3.239 5.792 16.697 1.00 0.29 N ATOM 1622 CA VAL A 106 3.301 4.330 16.938 1.00 0.24 C ATOM 1623 C VAL A 106 4.729 3.827 16.757 1.00 0.18 C ATOM 1624 O VAL A 106 5.415 4.188 15.827 1.00 0.14 O ATOM 1625 CB VAL A 106 2.372 3.619 15.961 1.00 0.24 C ATOM 1626 CG1 VAL A 106 1.991 2.248 16.525 1.00 0.26 C ATOM 1627 CG2 VAL A 106 1.113 4.467 15.772 1.00 0.31 C ATOM 0 H VAL A 106 3.243 6.082 15.719 1.00 0.29 H new ATOM 0 HA VAL A 106 2.985 4.120 17.960 1.00 0.24 H new ATOM 0 HB VAL A 106 2.872 3.484 15.002 1.00 0.24 H new ATOM 0 HG11 VAL A 106 1.327 1.739 15.827 1.00 0.26 H new ATOM 0 HG12 VAL A 106 2.891 1.651 16.670 1.00 0.26 H new ATOM 0 HG13 VAL A 106 1.483 2.376 17.481 1.00 0.26 H new ATOM 0 HG21 VAL A 106 0.440 3.968 15.075 1.00 0.31 H new ATOM 0 HG22 VAL A 106 0.612 4.594 16.732 1.00 0.31 H new ATOM 0 HG23 VAL A 106 1.389 5.444 15.375 1.00 0.31 H new ATOM 1637 N THR A 107 5.183 2.993 17.647 1.00 0.19 N ATOM 1638 CA THR A 107 6.568 2.469 17.534 1.00 0.13 C ATOM 1639 C THR A 107 6.538 0.963 17.319 1.00 0.05 C ATOM 1640 O THR A 107 6.130 0.220 18.181 1.00 0.04 O ATOM 1641 CB THR A 107 7.310 2.732 18.840 1.00 0.19 C ATOM 1642 OG1 THR A 107 7.349 4.129 19.094 1.00 0.36 O ATOM 1643 CG2 THR A 107 8.733 2.183 18.731 1.00 0.34 C ATOM 0 H THR A 107 4.653 2.651 18.449 1.00 0.19 H new ATOM 0 HA THR A 107 7.061 2.961 16.696 1.00 0.13 H new ATOM 0 HB THR A 107 6.793 2.236 19.661 1.00 0.19 H new ATOM 0 HG1 THR A 107 7.825 4.296 19.934 1.00 0.36 H new ATOM 0 HG21 THR A 107 9.267 2.369 19.663 1.00 0.34 H new ATOM 0 HG22 THR A 107 8.696 1.110 18.542 1.00 0.34 H new ATOM 0 HG23 THR A 107 9.252 2.678 17.910 1.00 0.34 H new ATOM 1651 N VAL A 108 7.010 0.500 16.206 1.00 0.04 N ATOM 1652 CA VAL A 108 7.038 -0.967 15.981 1.00 0.08 C ATOM 1653 C VAL A 108 8.420 -1.452 16.403 1.00 0.13 C ATOM 1654 O VAL A 108 9.415 -0.855 16.058 1.00 0.16 O ATOM 1655 CB VAL A 108 6.813 -1.260 14.500 1.00 0.07 C ATOM 1656 CG1 VAL A 108 8.091 -1.847 13.893 1.00 0.16 C ATOM 1657 CG2 VAL A 108 5.665 -2.259 14.352 1.00 0.06 C ATOM 0 H VAL A 108 7.377 1.068 15.443 1.00 0.04 H new ATOM 0 HA VAL A 108 6.258 -1.471 16.552 1.00 0.08 H new ATOM 0 HB VAL A 108 6.561 -0.337 13.978 1.00 0.07 H new ATOM 0 HG11 VAL A 108 7.929 -2.056 12.836 1.00 0.16 H new ATOM 0 HG12 VAL A 108 8.907 -1.132 14.001 1.00 0.16 H new ATOM 0 HG13 VAL A 108 8.348 -2.771 14.410 1.00 0.16 H new ATOM 0 HG21 VAL A 108 5.501 -2.471 13.295 1.00 0.06 H new ATOM 0 HG22 VAL A 108 5.917 -3.183 14.873 1.00 0.06 H new ATOM 0 HG23 VAL A 108 4.757 -1.836 14.782 1.00 0.06 H new ATOM 1667 N LYS A 109 8.514 -2.493 17.175 1.00 0.22 N ATOM 1668 CA LYS A 109 9.868 -2.915 17.617 1.00 0.24 C ATOM 1669 C LYS A 109 10.010 -4.432 17.662 1.00 0.23 C ATOM 1670 O LYS A 109 9.234 -5.129 18.277 1.00 0.25 O ATOM 1671 CB LYS A 109 10.120 -2.352 19.013 1.00 0.27 C ATOM 1672 CG LYS A 109 11.569 -2.611 19.409 1.00 0.87 C ATOM 1673 CD LYS A 109 11.669 -2.768 20.926 1.00 0.92 C ATOM 1674 CE LYS A 109 12.196 -1.470 21.538 1.00 0.84 C ATOM 1675 NZ LYS A 109 11.430 -0.314 20.990 1.00 0.76 N ATOM 0 H LYS A 109 7.735 -3.058 17.513 1.00 0.22 H new ATOM 0 HA LYS A 109 10.594 -2.535 16.898 1.00 0.24 H new ATOM 0 HB2 LYS A 109 9.913 -1.282 19.029 1.00 0.27 H new ATOM 0 HB3 LYS A 109 9.446 -2.818 19.732 1.00 0.27 H new ATOM 0 HG2 LYS A 109 11.935 -3.511 18.916 1.00 0.87 H new ATOM 0 HG3 LYS A 109 12.200 -1.786 19.077 1.00 0.87 H new ATOM 0 HD2 LYS A 109 10.691 -3.009 21.343 1.00 0.92 H new ATOM 0 HD3 LYS A 109 12.333 -3.596 21.174 1.00 0.92 H new ATOM 0 HE2 LYS A 109 12.100 -1.502 22.623 1.00 0.84 H new ATOM 0 HE3 LYS A 109 13.257 -1.355 21.315 1.00 0.84 H new ATOM 0 HZ1 LYS A 109 11.549 0.509 21.615 1.00 0.76 H new ATOM 0 HZ2 LYS A 109 11.785 -0.081 20.040 1.00 0.76 H new ATOM 0 HZ3 LYS A 109 10.422 -0.562 20.932 1.00 0.76 H new ATOM 1689 N LEU A 110 11.040 -4.942 17.061 1.00 0.20 N ATOM 1690 CA LEU A 110 11.277 -6.404 17.114 1.00 0.18 C ATOM 1691 C LEU A 110 12.396 -6.626 18.124 1.00 0.15 C ATOM 1692 O LEU A 110 13.344 -5.873 18.166 1.00 0.16 O ATOM 1693 CB LEU A 110 11.721 -6.923 15.744 1.00 0.14 C ATOM 1694 CG LEU A 110 10.537 -6.958 14.778 1.00 0.21 C ATOM 1695 CD1 LEU A 110 10.864 -7.907 13.626 1.00 0.26 C ATOM 1696 CD2 LEU A 110 9.285 -7.457 15.506 1.00 0.18 C ATOM 0 H LEU A 110 11.731 -4.408 16.533 1.00 0.20 H new ATOM 0 HA LEU A 110 10.366 -6.932 17.396 1.00 0.18 H new ATOM 0 HB2 LEU A 110 12.507 -6.283 15.343 1.00 0.14 H new ATOM 0 HB3 LEU A 110 12.145 -7.922 15.846 1.00 0.14 H new ATOM 0 HG LEU A 110 10.351 -5.955 14.394 1.00 0.21 H new ATOM 0 HD11 LEU A 110 10.025 -7.939 12.931 1.00 0.26 H new ATOM 0 HD12 LEU A 110 11.754 -7.553 13.105 1.00 0.26 H new ATOM 0 HD13 LEU A 110 11.047 -8.907 14.019 1.00 0.26 H new ATOM 0 HD21 LEU A 110 8.445 -7.479 14.812 1.00 0.18 H new ATOM 0 HD22 LEU A 110 9.464 -8.461 15.892 1.00 0.18 H new ATOM 0 HD23 LEU A 110 9.054 -6.786 16.334 1.00 0.18 H new ATOM 1708 N ILE A 111 12.291 -7.617 18.960 1.00 0.14 N ATOM 1709 CA ILE A 111 13.346 -7.829 19.973 1.00 0.11 C ATOM 1710 C ILE A 111 13.735 -9.305 20.027 1.00 0.04 C ATOM 1711 O ILE A 111 12.940 -10.155 20.378 1.00 0.04 O ATOM 1712 CB ILE A 111 12.809 -7.400 21.330 1.00 0.16 C ATOM 1713 CG1 ILE A 111 12.563 -5.890 21.323 1.00 0.20 C ATOM 1714 CG2 ILE A 111 13.832 -7.753 22.394 1.00 0.17 C ATOM 1715 CD1 ILE A 111 11.201 -5.605 20.690 1.00 0.21 C ATOM 0 H ILE A 111 11.521 -8.286 18.983 1.00 0.14 H new ATOM 0 HA ILE A 111 14.227 -7.243 19.711 1.00 0.11 H new ATOM 0 HB ILE A 111 11.870 -7.912 21.542 1.00 0.16 H new ATOM 0 HG12 ILE A 111 12.593 -5.500 22.340 1.00 0.20 H new ATOM 0 HG13 ILE A 111 13.350 -5.384 20.764 1.00 0.20 H new ATOM 0 HG21 ILE A 111 13.459 -7.450 23.372 1.00 0.17 H new ATOM 0 HG22 ILE A 111 14.006 -8.829 22.389 1.00 0.17 H new ATOM 0 HG23 ILE A 111 14.767 -7.234 22.186 1.00 0.17 H new ATOM 0 HD11 ILE A 111 11.021 -4.530 20.683 1.00 0.21 H new ATOM 0 HD12 ILE A 111 11.189 -5.982 19.667 1.00 0.21 H new ATOM 0 HD13 ILE A 111 10.420 -6.100 21.268 1.00 0.21 H new ATOM 1727 N GLY A 112 14.955 -9.616 19.694 1.00 0.05 N ATOM 1728 CA GLY A 112 15.399 -11.035 19.741 1.00 0.10 C ATOM 1729 C GLY A 112 15.899 -11.352 21.150 1.00 0.15 C ATOM 1730 O GLY A 112 15.288 -10.984 22.134 1.00 0.25 O ATOM 0 H GLY A 112 15.664 -8.948 19.391 1.00 0.05 H new ATOM 0 HA2 GLY A 112 14.574 -11.697 19.476 1.00 0.10 H new ATOM 0 HA3 GLY A 112 16.192 -11.206 19.013 1.00 0.10 H new ATOM 1734 N ASP A 113 17.010 -12.025 21.257 1.00 0.18 N ATOM 1735 CA ASP A 113 17.553 -12.357 22.604 1.00 0.24 C ATOM 1736 C ASP A 113 18.803 -11.517 22.869 1.00 0.31 C ATOM 1737 O ASP A 113 19.386 -11.577 23.933 1.00 0.41 O ATOM 1738 CB ASP A 113 17.922 -13.841 22.654 1.00 0.27 C ATOM 1739 CG ASP A 113 17.386 -14.459 23.948 1.00 0.57 C ATOM 1740 OD1 ASP A 113 17.870 -14.085 25.003 1.00 0.71 O ATOM 1741 OD2 ASP A 113 16.503 -15.295 23.860 1.00 0.83 O ATOM 0 H ASP A 113 17.566 -12.360 20.470 1.00 0.18 H new ATOM 0 HA ASP A 113 16.800 -12.142 23.362 1.00 0.24 H new ATOM 0 HB2 ASP A 113 17.504 -14.359 21.791 1.00 0.27 H new ATOM 0 HB3 ASP A 113 19.004 -13.959 22.604 1.00 0.27 H new ATOM 1746 N ASN A 114 19.225 -10.739 21.909 1.00 0.28 N ATOM 1747 CA ASN A 114 20.445 -9.909 22.113 1.00 0.35 C ATOM 1748 C ASN A 114 20.078 -8.425 22.139 1.00 0.34 C ATOM 1749 O ASN A 114 20.901 -7.581 22.435 1.00 0.46 O ATOM 1750 CB ASN A 114 21.438 -10.172 20.978 1.00 0.37 C ATOM 1751 CG ASN A 114 22.447 -9.025 20.905 1.00 2.05 C ATOM 1752 OD1 ASN A 114 23.457 -9.047 21.580 1.00 1.57 O ATOM 1753 ND2 ASN A 114 22.216 -8.018 20.110 1.00 4.30 N ATOM 0 H ASN A 114 18.779 -10.643 20.996 1.00 0.28 H new ATOM 0 HA ASN A 114 20.899 -10.177 23.067 1.00 0.35 H new ATOM 0 HB2 ASN A 114 21.956 -11.116 21.146 1.00 0.37 H new ATOM 0 HB3 ASN A 114 20.907 -10.264 20.030 1.00 0.37 H new ATOM 0 HD21 ASN A 114 22.883 -7.248 20.055 1.00 4.30 H new ATOM 0 HD22 ASN A 114 21.368 -8.000 19.543 1.00 4.30 H new ATOM 1760 N GLY A 115 18.854 -8.092 21.843 1.00 0.24 N ATOM 1761 CA GLY A 115 18.464 -6.653 21.866 1.00 0.24 C ATOM 1762 C GLY A 115 17.241 -6.416 20.980 1.00 0.22 C ATOM 1763 O GLY A 115 16.372 -7.256 20.859 1.00 0.25 O ATOM 0 H GLY A 115 18.113 -8.745 21.589 1.00 0.24 H new ATOM 0 HA2 GLY A 115 18.245 -6.346 22.889 1.00 0.24 H new ATOM 0 HA3 GLY A 115 19.296 -6.039 21.520 1.00 0.24 H new ATOM 1767 N VAL A 116 17.165 -5.265 20.369 1.00 0.17 N ATOM 1768 CA VAL A 116 15.997 -4.951 19.499 1.00 0.16 C ATOM 1769 C VAL A 116 16.311 -5.339 18.053 1.00 0.16 C ATOM 1770 O VAL A 116 17.091 -4.699 17.376 1.00 0.18 O ATOM 1771 CB VAL A 116 15.715 -3.449 19.590 1.00 0.17 C ATOM 1772 CG1 VAL A 116 14.261 -3.179 19.239 1.00 0.19 C ATOM 1773 CG2 VAL A 116 15.986 -2.973 21.018 1.00 0.18 C ATOM 0 H VAL A 116 17.865 -4.526 20.436 1.00 0.17 H new ATOM 0 HA VAL A 116 15.122 -5.512 19.827 1.00 0.16 H new ATOM 0 HB VAL A 116 16.360 -2.915 18.892 1.00 0.17 H new ATOM 0 HG11 VAL A 116 14.063 -2.109 19.305 1.00 0.19 H new ATOM 0 HG12 VAL A 116 14.062 -3.523 18.224 1.00 0.19 H new ATOM 0 HG13 VAL A 116 13.614 -3.711 19.936 1.00 0.19 H new ATOM 0 HG21 VAL A 116 15.787 -1.904 21.089 1.00 0.18 H new ATOM 0 HG22 VAL A 116 15.337 -3.510 21.710 1.00 0.18 H new ATOM 0 HG23 VAL A 116 17.028 -3.166 21.274 1.00 0.18 H new ATOM 1783 N LEU A 117 15.703 -6.392 17.580 1.00 0.12 N ATOM 1784 CA LEU A 117 15.950 -6.844 16.180 1.00 0.11 C ATOM 1785 C LEU A 117 15.656 -5.710 15.190 1.00 0.14 C ATOM 1786 O LEU A 117 16.393 -5.498 14.247 1.00 0.16 O ATOM 1787 CB LEU A 117 15.034 -8.026 15.863 1.00 0.07 C ATOM 1788 CG LEU A 117 15.616 -9.310 16.455 1.00 0.13 C ATOM 1789 CD1 LEU A 117 14.539 -10.396 16.450 1.00 0.20 C ATOM 1790 CD2 LEU A 117 16.806 -9.766 15.606 1.00 0.20 C ATOM 0 H LEU A 117 15.041 -6.963 18.106 1.00 0.12 H new ATOM 0 HA LEU A 117 16.995 -7.138 16.086 1.00 0.11 H new ATOM 0 HB2 LEU A 117 14.039 -7.846 16.271 1.00 0.07 H new ATOM 0 HB3 LEU A 117 14.922 -8.131 14.784 1.00 0.07 H new ATOM 0 HG LEU A 117 15.949 -9.128 17.477 1.00 0.13 H new ATOM 0 HD11 LEU A 117 14.947 -11.315 16.871 1.00 0.20 H new ATOM 0 HD12 LEU A 117 13.689 -10.068 17.049 1.00 0.20 H new ATOM 0 HD13 LEU A 117 14.212 -10.580 15.426 1.00 0.20 H new ATOM 0 HD21 LEU A 117 17.223 -10.681 16.026 1.00 0.20 H new ATOM 0 HD22 LEU A 117 16.474 -9.954 14.585 1.00 0.20 H new ATOM 0 HD23 LEU A 117 17.569 -8.988 15.602 1.00 0.20 H new ATOM 1802 N ALA A 118 14.584 -4.984 15.382 1.00 0.21 N ATOM 1803 CA ALA A 118 14.258 -3.882 14.433 1.00 0.31 C ATOM 1804 C ALA A 118 13.532 -2.773 15.182 1.00 0.26 C ATOM 1805 O ALA A 118 13.351 -2.841 16.380 1.00 0.37 O ATOM 1806 CB ALA A 118 13.356 -4.411 13.314 1.00 0.40 C ATOM 0 H ALA A 118 13.925 -5.107 16.151 1.00 0.21 H new ATOM 0 HA ALA A 118 15.180 -3.494 14.000 1.00 0.31 H new ATOM 0 HB1 ALA A 118 13.121 -3.601 12.623 1.00 0.40 H new ATOM 0 HB2 ALA A 118 13.871 -5.208 12.777 1.00 0.40 H new ATOM 0 HB3 ALA A 118 12.433 -4.801 13.744 1.00 0.40 H new ATOM 1812 N CYS A 119 13.114 -1.747 14.495 1.00 0.10 N ATOM 1813 CA CYS A 119 12.408 -0.644 15.197 1.00 0.06 C ATOM 1814 C CYS A 119 11.810 0.330 14.172 1.00 0.11 C ATOM 1815 O CYS A 119 12.335 0.504 13.091 1.00 0.23 O ATOM 1816 CB CYS A 119 13.410 0.092 16.086 1.00 0.08 C ATOM 1817 SG CYS A 119 12.820 1.771 16.402 1.00 0.62 S ATOM 0 H CYS A 119 13.230 -1.626 13.489 1.00 0.10 H new ATOM 0 HA CYS A 119 11.600 -1.051 15.805 1.00 0.06 H new ATOM 0 HB2 CYS A 119 13.538 -0.443 17.027 1.00 0.08 H new ATOM 0 HB3 CYS A 119 14.386 0.124 15.602 1.00 0.08 H new ATOM 1822 N ALA A 120 10.720 0.972 14.508 1.00 0.06 N ATOM 1823 CA ALA A 120 10.092 1.938 13.560 1.00 0.14 C ATOM 1824 C ALA A 120 9.360 3.029 14.347 1.00 0.13 C ATOM 1825 O ALA A 120 8.811 2.783 15.402 1.00 0.12 O ATOM 1826 CB ALA A 120 9.080 1.216 12.671 1.00 0.22 C ATOM 0 H ALA A 120 10.238 0.868 15.401 1.00 0.06 H new ATOM 0 HA ALA A 120 10.874 2.381 12.943 1.00 0.14 H new ATOM 0 HB1 ALA A 120 8.627 1.929 11.982 1.00 0.22 H new ATOM 0 HB2 ALA A 120 9.586 0.435 12.104 1.00 0.22 H new ATOM 0 HB3 ALA A 120 8.304 0.768 13.292 1.00 0.22 H new ATOM 1832 N ILE A 121 9.331 4.229 13.834 1.00 0.14 N ATOM 1833 CA ILE A 121 8.615 5.326 14.543 1.00 0.14 C ATOM 1834 C ILE A 121 7.740 6.080 13.537 1.00 0.15 C ATOM 1835 O ILE A 121 8.230 6.681 12.606 1.00 0.20 O ATOM 1836 CB ILE A 121 9.628 6.298 15.152 1.00 0.15 C ATOM 1837 CG1 ILE A 121 10.269 5.675 16.394 1.00 0.16 C ATOM 1838 CG2 ILE A 121 8.908 7.588 15.545 1.00 0.21 C ATOM 1839 CD1 ILE A 121 11.502 6.489 16.787 1.00 0.27 C ATOM 0 H ILE A 121 9.773 4.497 12.954 1.00 0.14 H new ATOM 0 HA ILE A 121 7.998 4.904 15.336 1.00 0.14 H new ATOM 0 HB ILE A 121 10.407 6.514 14.421 1.00 0.15 H new ATOM 0 HG12 ILE A 121 9.554 5.657 17.216 1.00 0.16 H new ATOM 0 HG13 ILE A 121 10.550 4.641 16.193 1.00 0.16 H new ATOM 0 HG21 ILE A 121 9.623 8.286 15.980 1.00 0.21 H new ATOM 0 HG22 ILE A 121 8.456 8.036 14.660 1.00 0.21 H new ATOM 0 HG23 ILE A 121 8.131 7.363 16.275 1.00 0.21 H new ATOM 0 HD11 ILE A 121 11.962 6.049 17.672 1.00 0.27 H new ATOM 0 HD12 ILE A 121 12.218 6.484 15.965 1.00 0.27 H new ATOM 0 HD13 ILE A 121 11.206 7.515 17.005 1.00 0.27 H new ATOM 1851 N ALA A 122 6.450 6.055 13.717 1.00 0.13 N ATOM 1852 CA ALA A 122 5.552 6.768 12.769 1.00 0.16 C ATOM 1853 C ALA A 122 5.316 8.194 13.271 1.00 0.16 C ATOM 1854 O ALA A 122 5.200 8.433 14.457 1.00 0.15 O ATOM 1855 CB ALA A 122 4.217 6.027 12.682 1.00 0.21 C ATOM 0 H ALA A 122 5.978 5.571 14.481 1.00 0.13 H new ATOM 0 HA ALA A 122 6.012 6.803 11.782 1.00 0.16 H new ATOM 0 HB1 ALA A 122 3.557 6.547 11.988 1.00 0.21 H new ATOM 0 HB2 ALA A 122 4.388 5.010 12.328 1.00 0.21 H new ATOM 0 HB3 ALA A 122 3.754 5.995 13.668 1.00 0.21 H new ATOM 1861 N THR A 123 5.249 9.145 12.379 1.00 0.18 N ATOM 1862 CA THR A 123 5.025 10.555 12.808 1.00 0.18 C ATOM 1863 C THR A 123 3.567 10.943 12.554 1.00 0.13 C ATOM 1864 O THR A 123 2.722 10.810 13.415 1.00 0.17 O ATOM 1865 CB THR A 123 5.946 11.478 12.008 1.00 0.19 C ATOM 1866 OG1 THR A 123 6.003 11.032 10.659 1.00 0.41 O ATOM 1867 CG2 THR A 123 7.350 11.452 12.614 1.00 0.43 C ATOM 0 H THR A 123 5.340 9.007 11.373 1.00 0.18 H new ATOM 0 HA THR A 123 5.243 10.652 13.871 1.00 0.18 H new ATOM 0 HB THR A 123 5.558 12.496 12.040 1.00 0.19 H new ATOM 0 HG1 THR A 123 6.591 11.623 10.144 1.00 0.41 H new ATOM 0 HG21 THR A 123 8.005 12.110 12.043 1.00 0.43 H new ATOM 0 HG22 THR A 123 7.306 11.792 13.649 1.00 0.43 H new ATOM 0 HG23 THR A 123 7.741 10.435 12.583 1.00 0.43 H new ATOM 1875 N HIS A 124 3.265 11.421 11.376 1.00 0.06 N ATOM 1876 CA HIS A 124 1.861 11.814 11.071 1.00 0.06 C ATOM 1877 C HIS A 124 0.919 10.716 11.562 1.00 0.08 C ATOM 1878 O HIS A 124 0.957 9.597 11.091 1.00 0.05 O ATOM 1879 CB HIS A 124 1.694 11.986 9.559 1.00 0.07 C ATOM 1880 CG HIS A 124 1.269 13.396 9.259 1.00 0.37 C ATOM 1881 ND1 HIS A 124 2.154 14.460 9.308 1.00 1.18 N ATOM 1882 CD2 HIS A 124 0.056 13.934 8.905 1.00 1.69 C ATOM 1883 CE1 HIS A 124 1.469 15.573 8.992 1.00 0.87 C ATOM 1884 NE2 HIS A 124 0.185 15.309 8.736 1.00 1.36 N ATOM 0 H HIS A 124 3.929 11.556 10.614 1.00 0.06 H new ATOM 0 HA HIS A 124 1.627 12.754 11.570 1.00 0.06 H new ATOM 0 HB2 HIS A 124 2.632 11.762 9.051 1.00 0.07 H new ATOM 0 HB3 HIS A 124 0.951 11.283 9.182 1.00 0.07 H new ATOM 0 HD2 HIS A 124 -0.859 13.375 8.777 1.00 1.69 H new ATOM 0 HE1 HIS A 124 1.904 16.561 8.950 1.00 0.87 H new ATOM 0 HE2 HIS A 124 -0.544 15.972 8.473 1.00 1.36 H new ATOM 1892 N GLY A 125 0.072 11.020 12.507 1.00 0.15 N ATOM 1893 CA GLY A 125 -0.862 9.981 13.018 1.00 0.16 C ATOM 1894 C GLY A 125 -1.956 10.637 13.858 1.00 0.11 C ATOM 1895 O GLY A 125 -1.724 11.598 14.559 1.00 0.11 O ATOM 0 H GLY A 125 -0.013 11.938 12.944 1.00 0.15 H new ATOM 0 HA2 GLY A 125 -1.307 9.438 12.185 1.00 0.16 H new ATOM 0 HA3 GLY A 125 -0.317 9.253 13.619 1.00 0.16 H new ATOM 1899 N LYS A 126 -3.146 10.115 13.792 1.00 0.20 N ATOM 1900 CA LYS A 126 -4.269 10.680 14.591 1.00 0.16 C ATOM 1901 C LYS A 126 -5.245 9.544 14.908 1.00 0.21 C ATOM 1902 O LYS A 126 -5.562 8.742 14.052 1.00 0.33 O ATOM 1903 CB LYS A 126 -4.979 11.769 13.787 1.00 0.28 C ATOM 1904 CG LYS A 126 -4.012 12.930 13.547 1.00 0.25 C ATOM 1905 CD LYS A 126 -4.799 14.238 13.439 1.00 0.36 C ATOM 1906 CE LYS A 126 -5.130 14.517 11.971 1.00 0.52 C ATOM 1907 NZ LYS A 126 -6.592 14.326 11.743 1.00 1.84 N ATOM 0 H LYS A 126 -3.393 9.312 13.213 1.00 0.20 H new ATOM 0 HA LYS A 126 -3.893 11.121 15.514 1.00 0.16 H new ATOM 0 HB2 LYS A 126 -5.326 11.367 12.835 1.00 0.28 H new ATOM 0 HB3 LYS A 126 -5.860 12.119 14.325 1.00 0.28 H new ATOM 0 HG2 LYS A 126 -3.293 12.993 14.364 1.00 0.25 H new ATOM 0 HG3 LYS A 126 -3.443 12.760 12.633 1.00 0.25 H new ATOM 0 HD2 LYS A 126 -5.717 14.171 14.023 1.00 0.36 H new ATOM 0 HD3 LYS A 126 -4.216 15.060 13.854 1.00 0.36 H new ATOM 0 HE2 LYS A 126 -4.841 15.535 11.710 1.00 0.52 H new ATOM 0 HE3 LYS A 126 -4.561 13.848 11.326 1.00 0.52 H new ATOM 0 HZ1 LYS A 126 -6.807 14.466 10.735 1.00 1.84 H new ATOM 0 HZ2 LYS A 126 -6.864 13.363 12.025 1.00 1.84 H new ATOM 0 HZ3 LYS A 126 -7.125 15.016 12.310 1.00 1.84 H new ATOM 1921 N ILE A 127 -5.723 9.449 16.117 1.00 0.14 N ATOM 1922 CA ILE A 127 -6.664 8.338 16.436 1.00 0.23 C ATOM 1923 C ILE A 127 -8.090 8.866 16.582 1.00 0.18 C ATOM 1924 O ILE A 127 -8.321 9.938 17.104 1.00 0.10 O ATOM 1925 CB ILE A 127 -6.254 7.654 17.737 1.00 0.29 C ATOM 1926 CG1 ILE A 127 -4.946 6.894 17.524 1.00 0.36 C ATOM 1927 CG2 ILE A 127 -7.348 6.665 18.139 1.00 0.39 C ATOM 1928 CD1 ILE A 127 -4.451 6.350 18.867 1.00 0.44 C ATOM 0 H ILE A 127 -5.508 10.081 16.888 1.00 0.14 H new ATOM 0 HA ILE A 127 -6.627 7.620 15.616 1.00 0.23 H new ATOM 0 HB ILE A 127 -6.117 8.401 18.519 1.00 0.29 H new ATOM 0 HG12 ILE A 127 -5.098 6.075 16.821 1.00 0.36 H new ATOM 0 HG13 ILE A 127 -4.196 7.553 17.087 1.00 0.36 H new ATOM 0 HG21 ILE A 127 -7.067 6.169 19.068 1.00 0.39 H new ATOM 0 HG22 ILE A 127 -8.287 7.200 18.283 1.00 0.39 H new ATOM 0 HG23 ILE A 127 -7.472 5.920 17.353 1.00 0.39 H new ATOM 0 HD11 ILE A 127 -3.518 5.807 18.718 1.00 0.44 H new ATOM 0 HD12 ILE A 127 -4.283 7.178 19.555 1.00 0.44 H new ATOM 0 HD13 ILE A 127 -5.199 5.677 19.285 1.00 0.44 H new ATOM 1940 N ARG A 128 -9.048 8.104 16.134 1.00 0.23 N ATOM 1941 CA ARG A 128 -10.468 8.537 16.253 1.00 0.19 C ATOM 1942 C ARG A 128 -11.284 7.401 16.879 1.00 0.18 C ATOM 1943 O ARG A 128 -10.767 6.337 17.153 1.00 0.21 O ATOM 1944 CB ARG A 128 -11.030 8.864 14.870 1.00 0.26 C ATOM 1945 CG ARG A 128 -10.525 10.237 14.423 1.00 0.15 C ATOM 1946 CD ARG A 128 -11.568 10.891 13.516 1.00 0.26 C ATOM 1947 NE ARG A 128 -11.906 9.960 12.405 1.00 2.03 N ATOM 1948 CZ ARG A 128 -12.657 10.361 11.414 1.00 2.37 C ATOM 1949 NH1 ARG A 128 -12.696 11.625 11.089 1.00 2.56 N ATOM 1950 NH2 ARG A 128 -13.369 9.494 10.746 1.00 2.67 N ATOM 0 H ARG A 128 -8.908 7.197 15.689 1.00 0.23 H new ATOM 0 HA ARG A 128 -10.526 9.427 16.880 1.00 0.19 H new ATOM 0 HB2 ARG A 128 -10.725 8.102 14.153 1.00 0.26 H new ATOM 0 HB3 ARG A 128 -12.120 8.857 14.898 1.00 0.26 H new ATOM 0 HG2 ARG A 128 -10.336 10.868 15.292 1.00 0.15 H new ATOM 0 HG3 ARG A 128 -9.579 10.134 13.892 1.00 0.15 H new ATOM 0 HD2 ARG A 128 -12.464 11.133 14.088 1.00 0.26 H new ATOM 0 HD3 ARG A 128 -11.182 11.829 13.116 1.00 0.26 H new ATOM 0 HE ARG A 128 -11.550 9.004 12.417 1.00 2.03 H new ATOM 0 HH11 ARG A 128 -12.139 12.303 11.609 1.00 2.56 H new ATOM 0 HH12 ARG A 128 -13.283 11.935 10.315 1.00 2.56 H new ATOM 0 HH21 ARG A 128 -13.338 8.506 10.998 1.00 2.67 H new ATOM 0 HH22 ARG A 128 -13.956 9.805 9.972 1.00 2.67 H new ATOM 1964 N ASP A 129 -12.551 7.615 17.111 1.00 0.15 N ATOM 1965 CA ASP A 129 -13.384 6.539 17.721 1.00 0.12 C ATOM 1966 C ASP A 129 -14.081 5.741 16.618 1.00 0.09 C ATOM 1967 O ASP A 129 -13.498 5.603 15.556 1.00 0.80 O ATOM 1968 CB ASP A 129 -14.438 7.164 18.640 1.00 0.24 C ATOM 1969 CG ASP A 129 -15.140 6.061 19.434 1.00 0.22 C ATOM 1970 OD1 ASP A 129 -14.601 5.656 20.451 1.00 0.51 O ATOM 1971 OD2 ASP A 129 -16.203 5.637 19.012 1.00 0.52 O ATOM 1972 OXT ASP A 129 -15.188 5.283 16.854 1.00 0.66 O ATOM 0 H ASP A 129 -13.044 8.484 16.906 1.00 0.15 H new ATOM 0 HA ASP A 129 -12.744 5.874 18.301 1.00 0.12 H new ATOM 0 HB2 ASP A 129 -13.968 7.874 19.321 1.00 0.24 H new ATOM 0 HB3 ASP A 129 -15.166 7.722 18.050 1.00 0.24 H new