USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=23 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 44 ASN : amide:sc= -2.02! C(o=-13!,f=-28!) USER MOD Set 1.2: A 45 GLN : amide:sc= -10.8! C(o=-13!,f=-24!) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.937 F(o=-2.9,f=-0.94) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.2) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.674 F(o=-1.7,f=-0.67) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -137:sc= -2.49! (180deg=-6.58!) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.08 F(o=-2.2!,f=-1.1) USER MOD Single : A 24 SER OG : rot -66:sc= 1.15 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.715 F(o=-1.3,f=-0.71) 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 :FLIP amide:sc= -1.4! C(o=-2.5!,f=-1.4!) USER MOD Single : A 47 THR OG1 : rot -141:sc= 1.02 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 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 71 ASN : amide:sc= -0.304 K(o=-0.3,f=-3!) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -1.35 F(o=-4.1!,f=-1.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 135:sc= -0.195 (180deg=-0.419) USER MOD Single : A 84 GLN : amide:sc= -1.36 K(o=-1.4,f=-5.6!) USER MOD Single : A 85 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.524 USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.154) USER MOD Single : A 90 TYR OH : rot -30:sc= -9.84! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 93 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.031) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.127) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -51:sc= -0.839 USER MOD Single : A 103 ASN : amide:sc= 0.112 X(o=0.11,f=-0.011) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.476) USER MOD Single : A 114 ASN : amide:sc= -0.809! C(o=-0.81!,f=-0.81!) USER MOD Single : A 123 THR OG1 : rot 70:sc= 0.623 USER MOD Single : A 124 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.44) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 2.218 2.098 1.343 1.00 0.69 N ATOM 16 CA GLN A 2 3.292 2.211 2.371 1.00 0.61 C ATOM 17 C GLN A 2 3.177 3.557 3.094 1.00 0.57 C ATOM 18 O GLN A 2 2.895 4.574 2.490 1.00 0.54 O ATOM 19 CB GLN A 2 4.659 2.112 1.689 1.00 0.61 C ATOM 20 CG GLN A 2 5.760 2.076 2.751 1.00 1.39 C ATOM 21 CD GLN A 2 7.126 2.215 2.076 1.00 1.25 C ATOM 22 OE1 GLN A 2 7.328 1.656 0.914 1.00 0.89 O flip ATOM 23 NE2 GLN A 2 8.021 2.839 2.613 1.00 1.53 N flip ATOM 0 HA GLN A 2 3.185 1.404 3.096 1.00 0.61 H new ATOM 0 HB2 GLN A 2 4.705 1.214 1.072 1.00 0.61 H new ATOM 0 HB3 GLN A 2 4.808 2.963 1.025 1.00 0.61 H new ATOM 0 HG2 GLN A 2 5.614 2.883 3.469 1.00 1.39 H new ATOM 0 HG3 GLN A 2 5.712 1.141 3.308 1.00 1.39 H new ATOM 0 HE21 GLN A 2 7.864 3.276 3.521 1.00 1.53 H new ATOM 0 HE22 GLN A 2 8.928 2.925 2.155 1.00 1.53 H new ATOM 32 N VAL A 3 3.395 3.571 4.383 1.00 0.63 N ATOM 33 CA VAL A 3 3.304 4.843 5.148 1.00 0.60 C ATOM 34 C VAL A 3 4.716 5.367 5.421 1.00 0.42 C ATOM 35 O VAL A 3 5.695 4.687 5.187 1.00 0.40 O ATOM 36 CB VAL A 3 2.586 4.587 6.472 1.00 0.74 C ATOM 37 CG1 VAL A 3 1.328 3.755 6.219 1.00 0.15 C ATOM 38 CG2 VAL A 3 3.517 3.829 7.419 1.00 1.29 C ATOM 0 H VAL A 3 3.633 2.750 4.939 1.00 0.63 H new ATOM 0 HA VAL A 3 2.746 5.582 4.572 1.00 0.60 H new ATOM 0 HB VAL A 3 2.306 5.539 6.923 1.00 0.74 H new ATOM 0 HG11 VAL A 3 0.816 3.573 7.164 1.00 0.15 H new ATOM 0 HG12 VAL A 3 0.664 4.296 5.545 1.00 0.15 H new ATOM 0 HG13 VAL A 3 1.606 2.803 5.768 1.00 0.15 H new ATOM 0 HG21 VAL A 3 3.005 3.646 8.364 1.00 1.29 H new ATOM 0 HG22 VAL A 3 3.798 2.877 6.968 1.00 1.29 H new ATOM 0 HG23 VAL A 3 4.413 4.423 7.601 1.00 1.29 H new ATOM 48 N ASP A 4 4.832 6.577 5.894 1.00 0.35 N ATOM 49 CA ASP A 4 6.183 7.150 6.155 1.00 0.21 C ATOM 50 C ASP A 4 6.633 6.853 7.593 1.00 0.22 C ATOM 51 O ASP A 4 5.982 7.218 8.549 1.00 0.29 O ATOM 52 CB ASP A 4 6.136 8.664 5.938 1.00 0.32 C ATOM 53 CG ASP A 4 6.512 9.382 7.235 1.00 1.46 C ATOM 54 OD1 ASP A 4 7.644 9.235 7.666 1.00 1.12 O ATOM 55 OD2 ASP A 4 5.658 10.063 7.778 1.00 3.11 O ATOM 0 H ASP A 4 4.050 7.194 6.111 1.00 0.35 H new ATOM 0 HA ASP A 4 6.897 6.694 5.469 1.00 0.21 H new ATOM 0 HB2 ASP A 4 6.823 8.948 5.141 1.00 0.32 H new ATOM 0 HB3 ASP A 4 5.138 8.965 5.621 1.00 0.32 H new ATOM 60 N VAL A 5 7.762 6.211 7.739 1.00 0.16 N ATOM 61 CA VAL A 5 8.293 5.898 9.098 1.00 0.18 C ATOM 62 C VAL A 5 9.817 5.782 8.996 1.00 0.19 C ATOM 63 O VAL A 5 10.347 5.415 7.966 1.00 0.28 O ATOM 64 CB VAL A 5 7.699 4.581 9.601 1.00 0.23 C ATOM 65 CG1 VAL A 5 6.173 4.694 9.644 1.00 0.51 C ATOM 66 CG2 VAL A 5 8.105 3.446 8.662 1.00 0.40 C ATOM 0 H VAL A 5 8.344 5.887 6.967 1.00 0.16 H new ATOM 0 HA VAL A 5 8.021 6.686 9.801 1.00 0.18 H new ATOM 0 HB VAL A 5 8.074 4.371 10.603 1.00 0.23 H new ATOM 0 HG11 VAL A 5 5.749 3.756 10.002 1.00 0.51 H new ATOM 0 HG12 VAL A 5 5.887 5.502 10.317 1.00 0.51 H new ATOM 0 HG13 VAL A 5 5.795 4.904 8.643 1.00 0.51 H new ATOM 0 HG21 VAL A 5 7.682 2.508 9.021 1.00 0.40 H new ATOM 0 HG22 VAL A 5 7.732 3.652 7.659 1.00 0.40 H new ATOM 0 HG23 VAL A 5 9.192 3.367 8.635 1.00 0.40 H new ATOM 76 N LYS A 6 10.534 6.110 10.036 1.00 0.35 N ATOM 77 CA LYS A 6 12.023 6.033 9.958 1.00 0.45 C ATOM 78 C LYS A 6 12.554 4.940 10.887 1.00 0.47 C ATOM 79 O LYS A 6 12.518 5.067 12.095 1.00 0.52 O ATOM 80 CB LYS A 6 12.621 7.380 10.372 1.00 0.60 C ATOM 81 CG LYS A 6 14.147 7.326 10.262 1.00 1.10 C ATOM 82 CD LYS A 6 14.577 7.724 8.846 1.00 2.33 C ATOM 83 CE LYS A 6 15.768 8.683 8.925 1.00 3.62 C ATOM 84 NZ LYS A 6 17.016 7.963 8.544 1.00 5.09 N ATOM 0 H LYS A 6 10.158 6.426 10.930 1.00 0.35 H new ATOM 0 HA LYS A 6 12.309 5.794 8.934 1.00 0.45 H new ATOM 0 HB2 LYS A 6 12.229 8.173 9.735 1.00 0.60 H new ATOM 0 HB3 LYS A 6 12.329 7.619 11.395 1.00 0.60 H new ATOM 0 HG2 LYS A 6 14.598 7.998 10.992 1.00 1.10 H new ATOM 0 HG3 LYS A 6 14.503 6.322 10.492 1.00 1.10 H new ATOM 0 HD2 LYS A 6 14.848 6.837 8.274 1.00 2.33 H new ATOM 0 HD3 LYS A 6 13.748 8.200 8.323 1.00 2.33 H new ATOM 0 HE2 LYS A 6 15.609 9.532 8.260 1.00 3.62 H new ATOM 0 HE3 LYS A 6 15.860 9.082 9.935 1.00 3.62 H new ATOM 0 HZ1 LYS A 6 17.824 8.616 8.598 1.00 5.09 H new ATOM 0 HZ2 LYS A 6 17.170 7.167 9.195 1.00 5.09 H new ATOM 0 HZ3 LYS A 6 16.926 7.603 7.572 1.00 5.09 H new ATOM 98 N ASP A 7 13.059 3.872 10.334 1.00 0.45 N ATOM 99 CA ASP A 7 13.605 2.782 11.192 1.00 0.47 C ATOM 100 C ASP A 7 14.627 3.379 12.162 1.00 0.63 C ATOM 101 O ASP A 7 15.466 4.173 11.782 1.00 0.74 O ATOM 102 CB ASP A 7 14.284 1.723 10.315 1.00 0.48 C ATOM 103 CG ASP A 7 14.935 2.394 9.102 1.00 1.67 C ATOM 104 OD1 ASP A 7 15.638 3.372 9.298 1.00 2.84 O ATOM 105 OD2 ASP A 7 14.720 1.917 8.000 1.00 2.75 O ATOM 0 H ASP A 7 13.117 3.707 9.329 1.00 0.45 H new ATOM 0 HA ASP A 7 12.795 2.313 11.751 1.00 0.47 H new ATOM 0 HB2 ASP A 7 15.037 1.187 10.893 1.00 0.48 H new ATOM 0 HB3 ASP A 7 13.551 0.987 9.985 1.00 0.48 H new ATOM 110 N CYS A 8 14.561 3.014 13.414 1.00 0.86 N ATOM 111 CA CYS A 8 15.526 3.574 14.404 1.00 1.04 C ATOM 112 C CYS A 8 16.555 2.510 14.792 1.00 1.05 C ATOM 113 O CYS A 8 17.470 2.768 15.547 1.00 1.37 O ATOM 114 CB CYS A 8 14.764 4.029 15.648 1.00 1.09 C ATOM 115 SG CYS A 8 14.459 2.609 16.727 1.00 0.92 S ATOM 0 H CYS A 8 13.882 2.354 13.794 1.00 0.86 H new ATOM 0 HA CYS A 8 16.046 4.423 13.960 1.00 1.04 H new ATOM 0 HB2 CYS A 8 15.338 4.787 16.181 1.00 1.09 H new ATOM 0 HB3 CYS A 8 13.819 4.489 15.360 1.00 1.09 H new ATOM 120 N ALA A 9 16.418 1.319 14.282 1.00 0.76 N ATOM 121 CA ALA A 9 17.397 0.250 14.628 1.00 0.76 C ATOM 122 C ALA A 9 18.713 0.514 13.905 1.00 0.82 C ATOM 123 O ALA A 9 19.761 0.633 14.510 1.00 1.02 O ATOM 124 CB ALA A 9 16.862 -1.107 14.172 1.00 0.69 C ATOM 0 H ALA A 9 15.674 1.039 13.643 1.00 0.76 H new ATOM 0 HA ALA A 9 17.551 0.247 15.707 1.00 0.76 H new ATOM 0 HB1 ALA A 9 17.581 -1.886 14.427 1.00 0.69 H new ATOM 0 HB2 ALA A 9 15.914 -1.311 14.671 1.00 0.69 H new ATOM 0 HB3 ALA A 9 16.709 -1.094 13.093 1.00 0.69 H new ATOM 130 N ASN A 10 18.661 0.580 12.607 1.00 0.66 N ATOM 131 CA ASN A 10 19.895 0.805 11.813 1.00 0.74 C ATOM 132 C ASN A 10 19.570 0.515 10.352 1.00 0.64 C ATOM 133 O ASN A 10 20.239 -0.257 9.696 1.00 0.78 O ATOM 134 CB ASN A 10 20.972 -0.165 12.296 1.00 0.94 C ATOM 135 CG ASN A 10 22.221 0.614 12.716 1.00 1.31 C ATOM 136 OD1 ASN A 10 23.330 0.192 12.450 1.00 3.44 O ATOM 137 ND2 ASN A 10 22.087 1.737 13.362 1.00 1.17 N ATOM 0 H ASN A 10 17.807 0.487 12.057 1.00 0.66 H new ATOM 0 HA ASN A 10 20.251 1.829 11.926 1.00 0.74 H new ATOM 0 HB2 ASN A 10 20.597 -0.750 13.136 1.00 0.94 H new ATOM 0 HB3 ASN A 10 21.221 -0.870 11.503 1.00 0.94 H new ATOM 0 HD21 ASN A 10 22.913 2.264 13.646 1.00 1.17 H new ATOM 0 HD22 ASN A 10 21.156 2.090 13.584 1.00 1.17 H new ATOM 144 N ASN A 11 18.520 1.101 9.848 1.00 0.44 N ATOM 145 CA ASN A 11 18.125 0.827 8.444 1.00 0.45 C ATOM 146 C ASN A 11 17.750 -0.653 8.338 1.00 0.46 C ATOM 147 O ASN A 11 17.664 -1.210 7.262 1.00 0.54 O ATOM 148 CB ASN A 11 19.292 1.137 7.504 1.00 0.68 C ATOM 149 CG ASN A 11 18.852 0.934 6.052 1.00 0.86 C ATOM 150 OD1 ASN A 11 17.628 1.228 5.702 1.00 0.61 O flip ATOM 151 ND2 ASN A 11 19.630 0.501 5.225 1.00 2.05 N flip ATOM 0 H ASN A 11 17.921 1.757 10.349 1.00 0.44 H new ATOM 0 HA ASN A 11 17.279 1.453 8.161 1.00 0.45 H new ATOM 0 HB2 ASN A 11 19.628 2.163 7.652 1.00 0.68 H new ATOM 0 HB3 ASN A 11 20.138 0.488 7.732 1.00 0.68 H new ATOM 0 HD21 ASN A 11 20.586 0.271 5.496 1.00 2.05 H new ATOM 0 HD22 ASN A 11 19.327 0.368 4.260 1.00 2.05 H new ATOM 158 N GLU A 12 17.527 -1.292 9.459 1.00 0.43 N ATOM 159 CA GLU A 12 17.160 -2.733 9.440 1.00 0.45 C ATOM 160 C GLU A 12 15.883 -2.917 8.623 1.00 0.40 C ATOM 161 O GLU A 12 15.875 -3.590 7.613 1.00 0.41 O ATOM 162 CB GLU A 12 16.923 -3.219 10.874 1.00 0.48 C ATOM 163 CG GLU A 12 18.015 -4.218 11.264 1.00 0.51 C ATOM 164 CD GLU A 12 19.261 -3.461 11.729 1.00 0.22 C ATOM 165 OE1 GLU A 12 19.725 -2.609 10.988 1.00 1.28 O ATOM 166 OE2 GLU A 12 19.734 -3.748 12.816 1.00 0.80 O ATOM 0 H GLU A 12 17.585 -0.873 10.387 1.00 0.43 H new ATOM 0 HA GLU A 12 17.968 -3.310 8.991 1.00 0.45 H new ATOM 0 HB2 GLU A 12 16.928 -2.373 11.561 1.00 0.48 H new ATOM 0 HB3 GLU A 12 15.942 -3.688 10.953 1.00 0.48 H new ATOM 0 HG2 GLU A 12 17.657 -4.872 12.059 1.00 0.51 H new ATOM 0 HG3 GLU A 12 18.260 -4.855 10.414 1.00 0.51 H new ATOM 173 N ILE A 13 14.800 -2.328 9.047 1.00 0.37 N ATOM 174 CA ILE A 13 13.533 -2.484 8.280 1.00 0.33 C ATOM 175 C ILE A 13 13.729 -1.962 6.853 1.00 0.34 C ATOM 176 O ILE A 13 14.190 -0.858 6.643 1.00 0.36 O ATOM 177 CB ILE A 13 12.409 -1.703 8.970 1.00 0.28 C ATOM 178 CG1 ILE A 13 12.363 -2.077 10.457 1.00 0.30 C ATOM 179 CG2 ILE A 13 11.071 -2.039 8.309 1.00 0.26 C ATOM 180 CD1 ILE A 13 10.981 -2.638 10.815 1.00 0.27 C ATOM 0 H ILE A 13 14.737 -1.750 9.885 1.00 0.37 H new ATOM 0 HA ILE A 13 13.262 -3.539 8.243 1.00 0.33 H new ATOM 0 HB ILE A 13 12.597 -0.634 8.874 1.00 0.28 H new ATOM 0 HG12 ILE A 13 13.133 -2.816 10.678 1.00 0.30 H new ATOM 0 HG13 ILE A 13 12.578 -1.200 11.068 1.00 0.30 H new ATOM 0 HG21 ILE A 13 10.273 -1.483 8.801 1.00 0.26 H new ATOM 0 HG22 ILE A 13 11.107 -1.766 7.254 1.00 0.26 H new ATOM 0 HG23 ILE A 13 10.878 -3.108 8.400 1.00 0.26 H new ATOM 0 HD11 ILE A 13 10.958 -2.901 11.873 1.00 0.27 H new ATOM 0 HD12 ILE A 13 10.219 -1.886 10.611 1.00 0.27 H new ATOM 0 HD13 ILE A 13 10.783 -3.527 10.216 1.00 0.27 H new ATOM 192 N LYS A 14 13.387 -2.757 5.872 1.00 0.34 N ATOM 193 CA LYS A 14 13.555 -2.321 4.457 1.00 0.36 C ATOM 194 C LYS A 14 12.335 -1.515 4.014 1.00 0.32 C ATOM 195 O LYS A 14 12.362 -0.853 2.994 1.00 0.33 O ATOM 196 CB LYS A 14 13.685 -3.557 3.561 1.00 0.40 C ATOM 197 CG LYS A 14 14.737 -4.503 4.142 1.00 0.44 C ATOM 198 CD LYS A 14 16.133 -4.008 3.761 1.00 0.51 C ATOM 199 CE LYS A 14 16.810 -3.397 4.987 1.00 0.60 C ATOM 200 NZ LYS A 14 18.240 -3.116 4.676 1.00 0.60 N ATOM 0 H LYS A 14 12.998 -3.692 5.992 1.00 0.34 H new ATOM 0 HA LYS A 14 14.449 -1.703 4.376 1.00 0.36 H new ATOM 0 HB2 LYS A 14 12.725 -4.067 3.486 1.00 0.40 H new ATOM 0 HB3 LYS A 14 13.967 -3.259 2.551 1.00 0.40 H new ATOM 0 HG2 LYS A 14 14.640 -4.550 5.227 1.00 0.44 H new ATOM 0 HG3 LYS A 14 14.582 -5.513 3.764 1.00 0.44 H new ATOM 0 HD2 LYS A 14 16.731 -4.834 3.376 1.00 0.51 H new ATOM 0 HD3 LYS A 14 16.063 -3.267 2.964 1.00 0.51 H new ATOM 0 HE2 LYS A 14 16.302 -2.477 5.276 1.00 0.60 H new ATOM 0 HE3 LYS A 14 16.738 -4.080 5.834 1.00 0.60 H new ATOM 0 HZ1 LYS A 14 18.701 -2.700 5.510 1.00 0.60 H new ATOM 0 HZ2 LYS A 14 18.720 -4.002 4.421 1.00 0.60 H new ATOM 0 HZ3 LYS A 14 18.298 -2.449 3.880 1.00 0.60 H new ATOM 214 N LYS A 15 11.269 -1.567 4.769 1.00 0.27 N ATOM 215 CA LYS A 15 10.038 -0.811 4.393 1.00 0.23 C ATOM 216 C LYS A 15 8.829 -1.462 5.062 1.00 0.28 C ATOM 217 O LYS A 15 8.603 -2.649 4.939 1.00 0.37 O ATOM 218 CB LYS A 15 9.835 -0.843 2.875 1.00 0.26 C ATOM 219 CG LYS A 15 8.382 -1.212 2.567 1.00 0.24 C ATOM 220 CD LYS A 15 8.125 -1.084 1.065 1.00 0.34 C ATOM 221 CE LYS A 15 8.543 -2.376 0.363 1.00 0.57 C ATOM 222 NZ LYS A 15 8.061 -2.357 -1.047 1.00 1.38 N ATOM 0 H LYS A 15 11.198 -2.103 5.634 1.00 0.27 H new ATOM 0 HA LYS A 15 10.146 0.223 4.720 1.00 0.23 H new ATOM 0 HB2 LYS A 15 10.075 0.129 2.444 1.00 0.26 H new ATOM 0 HB3 LYS A 15 10.511 -1.568 2.421 1.00 0.26 H new ATOM 0 HG2 LYS A 15 8.178 -2.231 2.895 1.00 0.24 H new ATOM 0 HG3 LYS A 15 7.706 -0.559 3.118 1.00 0.24 H new ATOM 0 HD2 LYS A 15 7.069 -0.884 0.882 1.00 0.34 H new ATOM 0 HD3 LYS A 15 8.684 -0.241 0.660 1.00 0.34 H new ATOM 0 HE2 LYS A 15 9.628 -2.480 0.386 1.00 0.57 H new ATOM 0 HE3 LYS A 15 8.129 -3.237 0.888 1.00 0.57 H new ATOM 0 HZ1 LYS A 15 8.346 -3.237 -1.523 1.00 1.38 H new ATOM 0 HZ2 LYS A 15 7.024 -2.278 -1.058 1.00 1.38 H new ATOM 0 HZ3 LYS A 15 8.476 -1.544 -1.545 1.00 1.38 H new ATOM 236 N VAL A 16 8.049 -0.694 5.762 1.00 0.24 N ATOM 237 CA VAL A 16 6.852 -1.267 6.434 1.00 0.30 C ATOM 238 C VAL A 16 5.593 -0.673 5.798 1.00 0.29 C ATOM 239 O VAL A 16 5.428 0.529 5.740 1.00 0.26 O ATOM 240 CB VAL A 16 6.896 -0.914 7.919 1.00 0.36 C ATOM 241 CG1 VAL A 16 5.600 -0.202 8.310 1.00 0.53 C ATOM 242 CG2 VAL A 16 7.040 -2.192 8.750 1.00 0.42 C ATOM 0 H VAL A 16 8.187 0.307 5.899 1.00 0.24 H new ATOM 0 HA VAL A 16 6.840 -2.351 6.320 1.00 0.30 H new ATOM 0 HB VAL A 16 7.747 -0.260 8.109 1.00 0.36 H new ATOM 0 HG11 VAL A 16 5.629 0.051 9.370 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.494 0.710 7.722 1.00 0.53 H new ATOM 0 HG13 VAL A 16 4.752 -0.859 8.117 1.00 0.53 H new ATOM 0 HG21 VAL A 16 7.071 -1.936 9.809 1.00 0.42 H new ATOM 0 HG22 VAL A 16 6.190 -2.847 8.560 1.00 0.42 H new ATOM 0 HG23 VAL A 16 7.962 -2.704 8.473 1.00 0.42 H new ATOM 252 N MET A 17 4.710 -1.500 5.307 1.00 0.36 N ATOM 253 CA MET A 17 3.476 -0.964 4.663 1.00 0.34 C ATOM 254 C MET A 17 2.238 -1.384 5.458 1.00 0.33 C ATOM 255 O MET A 17 2.192 -2.447 6.047 1.00 0.49 O ATOM 256 CB MET A 17 3.373 -1.510 3.236 1.00 0.34 C ATOM 257 CG MET A 17 4.709 -1.314 2.517 1.00 0.36 C ATOM 258 SD MET A 17 5.150 -2.833 1.637 1.00 0.64 S ATOM 259 CE MET A 17 6.141 -3.583 2.954 1.00 0.83 C ATOM 0 H MET A 17 4.788 -2.517 5.323 1.00 0.36 H new ATOM 0 HA MET A 17 3.530 0.124 4.642 1.00 0.34 H new ATOM 0 HB2 MET A 17 3.112 -2.568 3.258 1.00 0.34 H new ATOM 0 HB3 MET A 17 2.578 -0.996 2.695 1.00 0.34 H new ATOM 0 HG2 MET A 17 4.638 -0.482 1.816 1.00 0.36 H new ATOM 0 HG3 MET A 17 5.487 -1.059 3.236 1.00 0.36 H new ATOM 0 HE1 MET A 17 7.045 -4.016 2.527 1.00 0.83 H new ATOM 0 HE2 MET A 17 6.413 -2.820 3.684 1.00 0.83 H new ATOM 0 HE3 MET A 17 5.561 -4.364 3.445 1.00 0.83 H new ATOM 269 N VAL A 18 1.229 -0.556 5.466 1.00 0.14 N ATOM 270 CA VAL A 18 -0.021 -0.897 6.205 1.00 0.12 C ATOM 271 C VAL A 18 -1.211 -0.758 5.257 1.00 0.18 C ATOM 272 O VAL A 18 -1.375 0.248 4.595 1.00 0.56 O ATOM 273 CB VAL A 18 -0.202 0.050 7.394 1.00 0.24 C ATOM 274 CG1 VAL A 18 -1.433 -0.373 8.196 1.00 0.28 C ATOM 275 CG2 VAL A 18 1.035 -0.018 8.292 1.00 0.44 C ATOM 0 H VAL A 18 1.216 0.346 4.990 1.00 0.14 H new ATOM 0 HA VAL A 18 0.043 -1.920 6.575 1.00 0.12 H new ATOM 0 HB VAL A 18 -0.334 1.069 7.031 1.00 0.24 H new ATOM 0 HG11 VAL A 18 -1.564 0.300 9.043 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -2.316 -0.329 7.558 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -1.298 -1.392 8.559 1.00 0.28 H new ATOM 0 HG21 VAL A 18 0.907 0.656 9.139 1.00 0.44 H new ATOM 0 HG22 VAL A 18 1.165 -1.037 8.656 1.00 0.44 H new ATOM 0 HG23 VAL A 18 1.915 0.279 7.722 1.00 0.44 H new ATOM 285 N ASP A 19 -2.040 -1.760 5.181 1.00 0.40 N ATOM 286 CA ASP A 19 -3.215 -1.685 4.268 1.00 0.43 C ATOM 287 C ASP A 19 -4.360 -0.936 4.957 1.00 0.10 C ATOM 288 O ASP A 19 -5.216 -1.532 5.580 1.00 0.30 O ATOM 289 CB ASP A 19 -3.672 -3.099 3.916 1.00 0.81 C ATOM 290 CG ASP A 19 -4.922 -3.022 3.041 1.00 0.77 C ATOM 291 OD1 ASP A 19 -4.869 -2.343 2.029 1.00 0.68 O ATOM 292 OD2 ASP A 19 -5.911 -3.639 3.399 1.00 1.42 O ATOM 0 H ASP A 19 -1.956 -2.628 5.711 1.00 0.40 H new ATOM 0 HA ASP A 19 -2.933 -1.153 3.359 1.00 0.43 H new ATOM 0 HB2 ASP A 19 -2.878 -3.630 3.390 1.00 0.81 H new ATOM 0 HB3 ASP A 19 -3.884 -3.662 4.825 1.00 0.81 H new ATOM 297 N GLY A 20 -4.384 0.365 4.846 1.00 0.18 N ATOM 298 CA GLY A 20 -5.476 1.148 5.492 1.00 0.44 C ATOM 299 C GLY A 20 -5.070 2.620 5.574 1.00 0.72 C ATOM 300 O GLY A 20 -5.638 3.469 4.916 1.00 0.96 O ATOM 0 H GLY A 20 -3.695 0.919 4.336 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -6.398 1.046 4.920 1.00 0.44 H new ATOM 0 HA3 GLY A 20 -5.675 0.759 6.490 1.00 0.44 H new ATOM 304 N CYS A 21 -4.092 2.927 6.377 1.00 0.71 N ATOM 305 CA CYS A 21 -3.646 4.341 6.505 1.00 0.97 C ATOM 306 C CYS A 21 -2.800 4.720 5.287 1.00 1.01 C ATOM 307 O CYS A 21 -2.771 4.012 4.301 1.00 0.93 O ATOM 308 CB CYS A 21 -2.824 4.493 7.785 1.00 1.13 C ATOM 309 SG CYS A 21 -3.953 4.784 9.174 1.00 3.25 S ATOM 0 H CYS A 21 -3.580 2.258 6.952 1.00 0.71 H new ATOM 0 HA CYS A 21 -4.512 5.001 6.554 1.00 0.97 H new ATOM 0 HB2 CYS A 21 -2.232 3.595 7.962 1.00 1.13 H new ATOM 0 HB3 CYS A 21 -2.124 5.323 7.688 1.00 1.13 H new ATOM 314 N HIS A 22 -2.119 5.833 5.337 1.00 1.37 N ATOM 315 CA HIS A 22 -1.291 6.248 4.169 1.00 1.48 C ATOM 316 C HIS A 22 0.016 6.877 4.657 1.00 1.69 C ATOM 317 O HIS A 22 0.231 7.049 5.841 1.00 3.79 O ATOM 318 CB HIS A 22 -2.077 7.268 3.340 1.00 1.48 C ATOM 319 CG HIS A 22 -3.506 7.296 3.814 1.00 2.51 C ATOM 320 ND1 HIS A 22 -4.066 7.670 5.010 1.00 2.46 N flip ATOM 321 CD2 HIS A 22 -4.560 6.886 3.014 1.00 4.14 C flip ATOM 322 CE1 HIS A 22 -5.446 7.496 4.955 1.00 3.37 C flip ATOM 323 NE2 HIS A 22 -5.690 7.021 3.731 1.00 4.52 N flip ATOM 0 H HIS A 22 -2.100 6.470 6.133 1.00 1.37 H new ATOM 0 HA HIS A 22 -1.057 5.377 3.557 1.00 1.48 H new ATOM 0 HB2 HIS A 22 -1.629 8.257 3.439 1.00 1.48 H new ATOM 0 HB3 HIS A 22 -2.037 7.004 2.283 1.00 1.48 H new ATOM 0 HD2 HIS A 22 -4.488 6.524 1.999 1.00 4.14 H new ATOM 0 HE1 HIS A 22 -6.165 7.701 5.735 1.00 3.37 H new ATOM 0 HE2 HIS A 22 -6.620 6.789 3.382 1.00 4.52 H new ATOM 331 N GLY A 23 0.893 7.219 3.750 1.00 0.90 N ATOM 332 CA GLY A 23 2.190 7.837 4.155 1.00 1.03 C ATOM 333 C GLY A 23 2.244 9.279 3.650 1.00 1.49 C ATOM 334 O GLY A 23 1.650 9.617 2.646 1.00 3.31 O ATOM 0 H GLY A 23 0.767 7.097 2.745 1.00 0.90 H new ATOM 0 HA2 GLY A 23 2.293 7.816 5.240 1.00 1.03 H new ATOM 0 HA3 GLY A 23 3.022 7.265 3.745 1.00 1.03 H new ATOM 338 N SER A 24 2.942 10.140 4.342 1.00 1.07 N ATOM 339 CA SER A 24 3.013 11.561 3.897 1.00 0.94 C ATOM 340 C SER A 24 1.667 12.241 4.172 1.00 1.11 C ATOM 341 O SER A 24 1.469 13.400 3.866 1.00 2.05 O ATOM 342 CB SER A 24 3.309 11.605 2.399 1.00 0.57 C ATOM 343 OG SER A 24 2.107 11.885 1.692 1.00 1.54 O ATOM 0 H SER A 24 3.463 9.922 5.191 1.00 1.07 H new ATOM 0 HA SER A 24 3.803 12.080 4.440 1.00 0.94 H new ATOM 0 HB2 SER A 24 4.056 12.369 2.186 1.00 0.57 H new ATOM 0 HB3 SER A 24 3.725 10.653 2.070 1.00 0.57 H new ATOM 0 HG SER A 24 1.482 11.139 1.802 1.00 1.54 H new ATOM 349 N ASP A 25 0.740 11.521 4.746 1.00 0.99 N ATOM 350 CA ASP A 25 -0.597 12.098 5.044 1.00 0.91 C ATOM 351 C ASP A 25 -0.994 11.681 6.460 1.00 0.79 C ATOM 352 O ASP A 25 -0.287 10.926 7.097 1.00 0.82 O ATOM 353 CB ASP A 25 -1.610 11.545 4.035 1.00 0.97 C ATOM 354 CG ASP A 25 -2.049 12.658 3.082 1.00 1.15 C ATOM 355 OD1 ASP A 25 -1.731 13.804 3.351 1.00 1.05 O ATOM 356 OD2 ASP A 25 -2.696 12.344 2.095 1.00 1.61 O ATOM 0 H ASP A 25 0.857 10.546 5.023 1.00 0.99 H new ATOM 0 HA ASP A 25 -0.575 13.185 4.972 1.00 0.91 H new ATOM 0 HB2 ASP A 25 -1.166 10.725 3.471 1.00 0.97 H new ATOM 0 HB3 ASP A 25 -2.475 11.139 4.559 1.00 0.97 H new ATOM 361 N PRO A 26 -2.115 12.173 6.915 1.00 0.71 N ATOM 362 CA PRO A 26 -2.619 11.847 8.255 1.00 0.66 C ATOM 363 C PRO A 26 -3.219 10.439 8.251 1.00 0.64 C ATOM 364 O PRO A 26 -3.933 10.060 7.343 1.00 0.75 O ATOM 365 CB PRO A 26 -3.682 12.920 8.512 1.00 0.65 C ATOM 366 CG PRO A 26 -4.120 13.441 7.124 1.00 0.66 C ATOM 367 CD PRO A 26 -2.983 13.088 6.143 1.00 0.73 C ATOM 0 HA PRO A 26 -1.851 11.844 9.028 1.00 0.66 H new ATOM 0 HB2 PRO A 26 -4.530 12.504 9.056 1.00 0.65 H new ATOM 0 HB3 PRO A 26 -3.278 13.729 9.121 1.00 0.65 H new ATOM 0 HG2 PRO A 26 -5.057 12.978 6.814 1.00 0.66 H new ATOM 0 HG3 PRO A 26 -4.290 14.517 7.150 1.00 0.66 H new ATOM 0 HD2 PRO A 26 -3.367 12.609 5.243 1.00 0.73 H new ATOM 0 HD3 PRO A 26 -2.441 13.978 5.824 1.00 0.73 H new ATOM 375 N CYS A 27 -2.923 9.659 9.252 1.00 0.56 N ATOM 376 CA CYS A 27 -3.461 8.272 9.302 1.00 0.63 C ATOM 377 C CYS A 27 -4.467 8.175 10.446 1.00 0.52 C ATOM 378 O CYS A 27 -4.269 8.729 11.505 1.00 0.55 O ATOM 379 CB CYS A 27 -2.303 7.296 9.535 1.00 0.78 C ATOM 380 SG CYS A 27 -2.878 5.872 10.493 1.00 2.49 S ATOM 0 H CYS A 27 -2.330 9.923 10.039 1.00 0.56 H new ATOM 0 HA CYS A 27 -3.956 8.022 8.364 1.00 0.63 H new ATOM 0 HB2 CYS A 27 -1.899 6.963 8.579 1.00 0.78 H new ATOM 0 HB3 CYS A 27 -1.494 7.799 10.065 1.00 0.78 H new ATOM 385 N ILE A 28 -5.556 7.491 10.236 1.00 0.49 N ATOM 386 CA ILE A 28 -6.575 7.378 11.306 1.00 0.50 C ATOM 387 C ILE A 28 -6.638 5.943 11.810 1.00 0.63 C ATOM 388 O ILE A 28 -7.006 5.034 11.094 1.00 0.91 O ATOM 389 CB ILE A 28 -7.944 7.783 10.759 1.00 0.46 C ATOM 390 CG1 ILE A 28 -7.866 9.208 10.206 1.00 0.46 C ATOM 391 CG2 ILE A 28 -8.968 7.728 11.893 1.00 0.47 C ATOM 392 CD1 ILE A 28 -7.350 10.147 11.299 1.00 0.50 C ATOM 0 H ILE A 28 -5.781 7.006 9.367 1.00 0.49 H new ATOM 0 HA ILE A 28 -6.301 8.039 12.129 1.00 0.50 H new ATOM 0 HB ILE A 28 -8.243 7.102 9.962 1.00 0.46 H new ATOM 0 HG12 ILE A 28 -7.203 9.239 9.341 1.00 0.46 H new ATOM 0 HG13 ILE A 28 -8.849 9.533 9.866 1.00 0.46 H new ATOM 0 HG21 ILE A 28 -9.948 8.015 11.512 1.00 0.47 H new ATOM 0 HG22 ILE A 28 -9.016 6.714 12.291 1.00 0.47 H new ATOM 0 HG23 ILE A 28 -8.671 8.415 12.685 1.00 0.47 H new ATOM 0 HD11 ILE A 28 -7.293 11.163 10.909 1.00 0.50 H new ATOM 0 HD12 ILE A 28 -8.030 10.123 12.150 1.00 0.50 H new ATOM 0 HD13 ILE A 28 -6.359 9.825 11.617 1.00 0.50 H new ATOM 404 N ILE A 29 -6.297 5.737 13.045 1.00 0.43 N ATOM 405 CA ILE A 29 -6.356 4.366 13.606 1.00 0.50 C ATOM 406 C ILE A 29 -7.587 4.261 14.498 1.00 0.51 C ATOM 407 O ILE A 29 -7.715 4.964 15.482 1.00 0.53 O ATOM 408 CB ILE A 29 -5.093 4.103 14.424 1.00 0.58 C ATOM 409 CG1 ILE A 29 -3.916 3.881 13.470 1.00 0.73 C ATOM 410 CG2 ILE A 29 -5.291 2.859 15.291 1.00 0.85 C ATOM 411 CD1 ILE A 29 -2.609 4.256 14.169 1.00 0.61 C ATOM 0 H ILE A 29 -5.980 6.459 13.691 1.00 0.43 H new ATOM 0 HA ILE A 29 -6.419 3.629 12.806 1.00 0.50 H new ATOM 0 HB ILE A 29 -4.889 4.959 15.068 1.00 0.58 H new ATOM 0 HG12 ILE A 29 -3.884 2.839 13.153 1.00 0.73 H new ATOM 0 HG13 ILE A 29 -4.045 4.484 12.571 1.00 0.73 H new ATOM 0 HG21 ILE A 29 -4.388 2.674 15.873 1.00 0.85 H new ATOM 0 HG22 ILE A 29 -6.132 3.016 15.966 1.00 0.85 H new ATOM 0 HG23 ILE A 29 -5.494 1.999 14.653 1.00 0.85 H new ATOM 0 HD11 ILE A 29 -1.773 4.097 13.488 1.00 0.61 H new ATOM 0 HD12 ILE A 29 -2.642 5.305 14.464 1.00 0.61 H new ATOM 0 HD13 ILE A 29 -2.479 3.634 15.055 1.00 0.61 H new ATOM 423 N HIS A 30 -8.502 3.399 14.163 1.00 0.51 N ATOM 424 CA HIS A 30 -9.727 3.265 14.995 1.00 0.53 C ATOM 425 C HIS A 30 -9.446 2.308 16.156 1.00 0.60 C ATOM 426 O HIS A 30 -9.020 1.190 15.958 1.00 1.04 O ATOM 427 CB HIS A 30 -10.867 2.716 14.135 1.00 0.55 C ATOM 428 CG HIS A 30 -11.184 3.700 13.043 1.00 0.23 C ATOM 429 ND1 HIS A 30 -10.408 4.253 12.053 1.00 0.49 N flip ATOM 430 CD2 HIS A 30 -12.448 4.244 12.880 1.00 0.17 C flip ATOM 431 CE1 HIS A 30 -11.177 5.125 11.288 1.00 0.49 C flip ATOM 432 NE2 HIS A 30 -12.397 5.082 11.827 1.00 0.37 N flip ATOM 0 H HIS A 30 -8.456 2.783 13.352 1.00 0.51 H new ATOM 0 HA HIS A 30 -10.013 4.239 15.391 1.00 0.53 H new ATOM 0 HB2 HIS A 30 -10.583 1.756 13.704 1.00 0.55 H new ATOM 0 HB3 HIS A 30 -11.750 2.541 14.750 1.00 0.55 H new ATOM 0 HD2 HIS A 30 -13.316 4.034 13.487 1.00 0.17 H new ATOM 0 HE1 HIS A 30 -10.855 5.711 10.440 1.00 0.49 H new ATOM 0 HE2 HIS A 30 -13.194 5.618 11.483 1.00 0.37 H new ATOM 440 N ARG A 31 -9.673 2.738 17.365 1.00 0.24 N ATOM 441 CA ARG A 31 -9.406 1.844 18.526 1.00 0.27 C ATOM 442 C ARG A 31 -10.441 0.720 18.564 1.00 0.22 C ATOM 443 O ARG A 31 -11.632 0.959 18.573 1.00 0.41 O ATOM 444 CB ARG A 31 -9.480 2.646 19.818 1.00 0.41 C ATOM 445 CG ARG A 31 -10.907 3.121 20.056 1.00 0.42 C ATOM 446 CD ARG A 31 -10.843 4.450 20.796 1.00 0.31 C ATOM 447 NE ARG A 31 -12.130 5.179 20.639 1.00 1.02 N ATOM 448 CZ ARG A 31 -12.712 5.701 21.685 1.00 1.12 C ATOM 449 NH1 ARG A 31 -13.376 4.941 22.512 1.00 1.29 N ATOM 450 NH2 ARG A 31 -12.624 6.985 21.908 1.00 1.16 N ATOM 0 H ARG A 31 -10.030 3.664 17.599 1.00 0.24 H new ATOM 0 HA ARG A 31 -8.410 1.413 18.423 1.00 0.27 H new ATOM 0 HB2 ARG A 31 -9.148 2.033 20.656 1.00 0.41 H new ATOM 0 HB3 ARG A 31 -8.808 3.502 19.763 1.00 0.41 H new ATOM 0 HG2 ARG A 31 -11.433 3.237 19.108 1.00 0.42 H new ATOM 0 HG3 ARG A 31 -11.461 2.386 20.640 1.00 0.42 H new ATOM 0 HD2 ARG A 31 -10.639 4.278 21.853 1.00 0.31 H new ATOM 0 HD3 ARG A 31 -10.023 5.054 20.407 1.00 0.31 H new ATOM 0 HE ARG A 31 -12.557 5.271 19.717 1.00 1.02 H new ATOM 0 HH11 ARG A 31 -13.441 3.937 22.342 1.00 1.29 H new ATOM 0 HH12 ARG A 31 -13.830 5.351 23.328 1.00 1.29 H new ATOM 0 HH21 ARG A 31 -12.101 7.580 21.265 1.00 1.16 H new ATOM 0 HH22 ARG A 31 -13.078 7.393 22.725 1.00 1.16 H new ATOM 464 N GLY A 32 -9.997 -0.506 18.590 1.00 0.30 N ATOM 465 CA GLY A 32 -10.956 -1.643 18.634 1.00 0.22 C ATOM 466 C GLY A 32 -10.886 -2.430 17.322 1.00 0.18 C ATOM 467 O GLY A 32 -11.455 -3.497 17.198 1.00 0.09 O ATOM 0 H GLY A 32 -9.011 -0.769 18.583 1.00 0.30 H new ATOM 0 HA2 GLY A 32 -10.721 -2.297 19.474 1.00 0.22 H new ATOM 0 HA3 GLY A 32 -11.968 -1.271 18.792 1.00 0.22 H new ATOM 471 N LYS A 33 -10.188 -1.917 16.342 1.00 0.30 N ATOM 472 CA LYS A 33 -10.083 -2.643 15.044 1.00 0.34 C ATOM 473 C LYS A 33 -8.647 -3.124 14.839 1.00 0.30 C ATOM 474 O LYS A 33 -7.727 -2.608 15.441 1.00 0.30 O ATOM 475 CB LYS A 33 -10.510 -1.721 13.896 1.00 0.43 C ATOM 476 CG LYS A 33 -9.404 -0.713 13.585 1.00 0.36 C ATOM 477 CD LYS A 33 -9.532 -0.252 12.132 1.00 0.99 C ATOM 478 CE LYS A 33 -10.932 0.320 11.900 1.00 0.47 C ATOM 479 NZ LYS A 33 -11.502 -0.256 10.650 1.00 1.76 N ATOM 0 H LYS A 33 -9.688 -1.029 16.385 1.00 0.30 H new ATOM 0 HA LYS A 33 -10.744 -3.509 15.058 1.00 0.34 H new ATOM 0 HB2 LYS A 33 -10.732 -2.313 13.008 1.00 0.43 H new ATOM 0 HB3 LYS A 33 -11.426 -1.195 14.165 1.00 0.43 H new ATOM 0 HG2 LYS A 33 -9.476 0.142 14.257 1.00 0.36 H new ATOM 0 HG3 LYS A 33 -8.427 -1.166 13.750 1.00 0.36 H new ATOM 0 HD2 LYS A 33 -8.778 0.503 11.911 1.00 0.99 H new ATOM 0 HD3 LYS A 33 -9.353 -1.089 11.457 1.00 0.99 H new ATOM 0 HE2 LYS A 33 -11.577 0.087 12.747 1.00 0.47 H new ATOM 0 HE3 LYS A 33 -10.885 1.406 11.824 1.00 0.47 H new ATOM 0 HZ1 LYS A 33 -12.454 0.132 10.491 1.00 1.76 H new ATOM 0 HZ2 LYS A 33 -10.890 -0.012 9.845 1.00 1.76 H new ATOM 0 HZ3 LYS A 33 -11.561 -1.290 10.740 1.00 1.76 H new ATOM 493 N PRO A 34 -8.513 -4.112 14.003 1.00 0.28 N ATOM 494 CA PRO A 34 -7.211 -4.724 13.687 1.00 0.29 C ATOM 495 C PRO A 34 -6.409 -3.862 12.708 1.00 0.20 C ATOM 496 O PRO A 34 -6.925 -3.361 11.729 1.00 0.39 O ATOM 497 CB PRO A 34 -7.595 -6.064 13.053 1.00 0.36 C ATOM 498 CG PRO A 34 -9.042 -5.900 12.527 1.00 0.32 C ATOM 499 CD PRO A 34 -9.656 -4.711 13.288 1.00 0.28 C ATOM 0 HA PRO A 34 -6.572 -4.832 14.564 1.00 0.29 H new ATOM 0 HB2 PRO A 34 -6.913 -6.319 12.242 1.00 0.36 H new ATOM 0 HB3 PRO A 34 -7.537 -6.870 13.784 1.00 0.36 H new ATOM 0 HG2 PRO A 34 -9.045 -5.715 11.453 1.00 0.32 H new ATOM 0 HG3 PRO A 34 -9.621 -6.808 12.696 1.00 0.32 H new ATOM 0 HD2 PRO A 34 -10.118 -3.997 12.606 1.00 0.28 H new ATOM 0 HD3 PRO A 34 -10.432 -5.039 13.980 1.00 0.28 H new ATOM 507 N PHE A 35 -5.141 -3.706 12.971 1.00 0.62 N ATOM 508 CA PHE A 35 -4.266 -2.900 12.075 1.00 0.55 C ATOM 509 C PHE A 35 -3.194 -3.831 11.514 1.00 0.59 C ATOM 510 O PHE A 35 -2.400 -4.386 12.245 1.00 0.74 O ATOM 511 CB PHE A 35 -3.603 -1.787 12.884 1.00 0.65 C ATOM 512 CG PHE A 35 -3.420 -0.558 12.033 1.00 0.48 C ATOM 513 CD1 PHE A 35 -4.520 0.243 11.707 1.00 0.49 C ATOM 514 CD2 PHE A 35 -2.143 -0.214 11.579 1.00 0.35 C ATOM 515 CE1 PHE A 35 -4.340 1.389 10.925 1.00 0.44 C ATOM 516 CE2 PHE A 35 -1.962 0.931 10.798 1.00 0.27 C ATOM 517 CZ PHE A 35 -3.059 1.733 10.470 1.00 0.36 C ATOM 0 H PHE A 35 -4.668 -4.109 13.780 1.00 0.62 H new ATOM 0 HA PHE A 35 -4.846 -2.454 11.267 1.00 0.55 H new ATOM 0 HB2 PHE A 35 -4.214 -1.547 13.754 1.00 0.65 H new ATOM 0 HB3 PHE A 35 -2.637 -2.126 13.257 1.00 0.65 H new ATOM 0 HD1 PHE A 35 -5.506 -0.023 12.058 1.00 0.49 H new ATOM 0 HD2 PHE A 35 -1.296 -0.834 11.832 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -5.188 2.009 10.672 1.00 0.44 H new ATOM 0 HE2 PHE A 35 -0.975 1.196 10.448 1.00 0.27 H new ATOM 0 HZ PHE A 35 -2.920 2.618 9.866 1.00 0.36 H new ATOM 527 N THR A 36 -3.171 -4.028 10.231 1.00 0.51 N ATOM 528 CA THR A 36 -2.159 -4.954 9.653 1.00 0.64 C ATOM 529 C THR A 36 -0.951 -4.180 9.136 1.00 0.58 C ATOM 530 O THR A 36 -1.077 -3.156 8.493 1.00 0.43 O ATOM 531 CB THR A 36 -2.784 -5.743 8.503 1.00 0.67 C ATOM 532 OG1 THR A 36 -3.750 -6.649 9.021 1.00 0.74 O ATOM 533 CG2 THR A 36 -1.692 -6.524 7.769 1.00 0.93 C ATOM 0 H THR A 36 -3.803 -3.593 9.559 1.00 0.51 H new ATOM 0 HA THR A 36 -1.829 -5.637 10.436 1.00 0.64 H new ATOM 0 HB THR A 36 -3.267 -5.055 7.809 1.00 0.67 H new ATOM 0 HG1 THR A 36 -4.153 -7.154 8.284 1.00 0.74 H new ATOM 0 HG21 THR A 36 -2.137 -7.087 6.948 1.00 0.93 H new ATOM 0 HG22 THR A 36 -0.951 -5.829 7.373 1.00 0.93 H new ATOM 0 HG23 THR A 36 -1.209 -7.213 8.462 1.00 0.93 H new ATOM 541 N LEU A 37 0.221 -4.680 9.402 1.00 0.69 N ATOM 542 CA LEU A 37 1.451 -4.003 8.918 1.00 0.64 C ATOM 543 C LEU A 37 2.515 -5.060 8.630 1.00 0.61 C ATOM 544 O LEU A 37 2.858 -5.857 9.481 1.00 0.57 O ATOM 545 CB LEU A 37 1.973 -3.042 9.988 1.00 0.63 C ATOM 546 CG LEU A 37 2.084 -3.773 11.326 1.00 1.33 C ATOM 547 CD1 LEU A 37 3.559 -3.993 11.670 1.00 4.01 C ATOM 548 CD2 LEU A 37 1.425 -2.927 12.416 1.00 1.32 C ATOM 0 H LEU A 37 0.380 -5.534 9.937 1.00 0.69 H new ATOM 0 HA LEU A 37 1.224 -3.440 8.012 1.00 0.64 H new ATOM 0 HB2 LEU A 37 2.947 -2.650 9.695 1.00 0.63 H new ATOM 0 HB3 LEU A 37 1.301 -2.189 10.083 1.00 0.63 H new ATOM 0 HG LEU A 37 1.583 -4.739 11.258 1.00 1.33 H new ATOM 0 HD11 LEU A 37 3.636 -4.514 12.624 1.00 4.01 H new ATOM 0 HD12 LEU A 37 4.029 -4.592 10.890 1.00 4.01 H new ATOM 0 HD13 LEU A 37 4.064 -3.029 11.741 1.00 4.01 H new ATOM 0 HD21 LEU A 37 1.501 -3.443 13.373 1.00 1.32 H new ATOM 0 HD22 LEU A 37 1.929 -1.963 12.483 1.00 1.32 H new ATOM 0 HD23 LEU A 37 0.375 -2.771 12.170 1.00 1.32 H new ATOM 560 N GLU A 38 3.056 -5.062 7.450 1.00 0.62 N ATOM 561 CA GLU A 38 4.112 -6.055 7.128 1.00 0.58 C ATOM 562 C GLU A 38 5.461 -5.353 7.246 1.00 0.49 C ATOM 563 O GLU A 38 5.679 -4.320 6.644 1.00 0.46 O ATOM 564 CB GLU A 38 3.915 -6.567 5.702 1.00 0.60 C ATOM 565 CG GLU A 38 3.547 -8.050 5.750 1.00 0.69 C ATOM 566 CD GLU A 38 3.603 -8.636 4.339 1.00 0.70 C ATOM 567 OE1 GLU A 38 4.695 -8.953 3.894 1.00 1.38 O ATOM 568 OE2 GLU A 38 2.555 -8.758 3.728 1.00 1.41 O ATOM 0 H GLU A 38 2.814 -4.421 6.695 1.00 0.62 H new ATOM 0 HA GLU A 38 4.065 -6.903 7.811 1.00 0.58 H new ATOM 0 HB2 GLU A 38 3.128 -6.000 5.204 1.00 0.60 H new ATOM 0 HB3 GLU A 38 4.827 -6.424 5.122 1.00 0.60 H new ATOM 0 HG2 GLU A 38 4.235 -8.585 6.405 1.00 0.69 H new ATOM 0 HG3 GLU A 38 2.548 -8.174 6.167 1.00 0.69 H new ATOM 575 N ALA A 39 6.361 -5.875 8.029 1.00 0.45 N ATOM 576 CA ALA A 39 7.667 -5.191 8.178 1.00 0.37 C ATOM 577 C ALA A 39 8.811 -6.132 7.839 1.00 0.32 C ATOM 578 O ALA A 39 9.034 -7.127 8.499 1.00 0.28 O ATOM 579 CB ALA A 39 7.829 -4.714 9.618 1.00 0.40 C ATOM 0 H ALA A 39 6.249 -6.735 8.565 1.00 0.45 H new ATOM 0 HA ALA A 39 7.692 -4.343 7.493 1.00 0.37 H new ATOM 0 HB1 ALA A 39 8.789 -4.211 9.729 1.00 0.40 H new ATOM 0 HB2 ALA A 39 7.025 -4.020 9.864 1.00 0.40 H new ATOM 0 HB3 ALA A 39 7.788 -5.570 10.292 1.00 0.40 H new ATOM 585 N LEU A 40 9.567 -5.793 6.840 1.00 0.32 N ATOM 586 CA LEU A 40 10.736 -6.630 6.482 1.00 0.28 C ATOM 587 C LEU A 40 11.917 -6.074 7.256 1.00 0.20 C ATOM 588 O LEU A 40 12.049 -4.881 7.398 1.00 0.28 O ATOM 589 CB LEU A 40 11.038 -6.525 4.988 1.00 0.33 C ATOM 590 CG LEU A 40 9.797 -6.862 4.173 1.00 0.47 C ATOM 591 CD1 LEU A 40 9.922 -6.223 2.787 1.00 0.62 C ATOM 592 CD2 LEU A 40 9.690 -8.381 4.028 1.00 0.51 C ATOM 0 H LEU A 40 9.425 -4.970 6.254 1.00 0.32 H new ATOM 0 HA LEU A 40 10.541 -7.676 6.719 1.00 0.28 H new ATOM 0 HB2 LEU A 40 11.376 -5.517 4.748 1.00 0.33 H new ATOM 0 HB3 LEU A 40 11.849 -7.204 4.725 1.00 0.33 H new ATOM 0 HG LEU A 40 8.907 -6.480 4.673 1.00 0.47 H new ATOM 0 HD11 LEU A 40 9.037 -6.459 2.196 1.00 0.62 H new ATOM 0 HD12 LEU A 40 10.010 -5.142 2.892 1.00 0.62 H new ATOM 0 HD13 LEU A 40 10.808 -6.613 2.285 1.00 0.62 H new ATOM 0 HD21 LEU A 40 8.803 -8.629 3.445 1.00 0.51 H new ATOM 0 HD22 LEU A 40 10.576 -8.761 3.520 1.00 0.51 H new ATOM 0 HD23 LEU A 40 9.614 -8.836 5.015 1.00 0.51 H new ATOM 604 N PHE A 41 12.772 -6.902 7.763 1.00 0.11 N ATOM 605 CA PHE A 41 13.931 -6.366 8.523 1.00 0.06 C ATOM 606 C PHE A 41 15.050 -7.392 8.516 1.00 0.05 C ATOM 607 O PHE A 41 14.818 -8.576 8.621 1.00 0.07 O ATOM 608 CB PHE A 41 13.517 -6.061 9.963 1.00 0.08 C ATOM 609 CG PHE A 41 12.780 -7.236 10.543 1.00 0.08 C ATOM 610 CD1 PHE A 41 13.490 -8.245 11.197 1.00 0.18 C ATOM 611 CD2 PHE A 41 11.389 -7.309 10.436 1.00 0.10 C ATOM 612 CE1 PHE A 41 12.808 -9.335 11.747 1.00 0.24 C ATOM 613 CE2 PHE A 41 10.702 -8.396 10.984 1.00 0.11 C ATOM 614 CZ PHE A 41 11.411 -9.411 11.643 1.00 0.19 C ATOM 0 H PHE A 41 12.724 -7.918 7.688 1.00 0.11 H new ATOM 0 HA PHE A 41 14.276 -5.444 8.054 1.00 0.06 H new ATOM 0 HB2 PHE A 41 14.398 -5.840 10.565 1.00 0.08 H new ATOM 0 HB3 PHE A 41 12.883 -5.174 9.988 1.00 0.08 H new ATOM 0 HD1 PHE A 41 14.565 -8.184 11.278 1.00 0.18 H new ATOM 0 HD2 PHE A 41 10.844 -6.526 9.930 1.00 0.10 H new ATOM 0 HE1 PHE A 41 13.356 -10.117 12.251 1.00 0.24 H new ATOM 0 HE2 PHE A 41 9.627 -8.454 10.900 1.00 0.11 H new ATOM 0 HZ PHE A 41 10.882 -10.250 12.070 1.00 0.19 H new ATOM 624 N ASP A 42 16.265 -6.958 8.396 1.00 0.05 N ATOM 625 CA ASP A 42 17.380 -7.938 8.385 1.00 0.08 C ATOM 626 C ASP A 42 17.772 -8.261 9.820 1.00 0.07 C ATOM 627 O ASP A 42 18.304 -7.438 10.537 1.00 0.07 O ATOM 628 CB ASP A 42 18.580 -7.357 7.636 1.00 0.10 C ATOM 629 CG ASP A 42 18.155 -6.961 6.220 1.00 0.32 C ATOM 630 OD1 ASP A 42 16.971 -7.025 5.938 1.00 0.65 O ATOM 631 OD2 ASP A 42 19.023 -6.600 5.442 1.00 1.36 O ATOM 0 H ASP A 42 16.536 -5.979 8.306 1.00 0.05 H new ATOM 0 HA ASP A 42 17.060 -8.849 7.879 1.00 0.08 H new ATOM 0 HB2 ASP A 42 18.968 -6.488 8.167 1.00 0.10 H new ATOM 0 HB3 ASP A 42 19.386 -8.090 7.594 1.00 0.10 H new ATOM 636 N ALA A 43 17.508 -9.462 10.237 1.00 0.07 N ATOM 637 CA ALA A 43 17.852 -9.868 11.617 1.00 0.08 C ATOM 638 C ALA A 43 19.267 -9.394 11.935 1.00 0.08 C ATOM 639 O ALA A 43 20.231 -9.853 11.357 1.00 0.10 O ATOM 640 CB ALA A 43 17.791 -11.388 11.695 1.00 0.13 C ATOM 0 H ALA A 43 17.064 -10.186 9.673 1.00 0.07 H new ATOM 0 HA ALA A 43 17.156 -9.430 12.332 1.00 0.08 H new ATOM 0 HB1 ALA A 43 18.042 -11.711 12.706 1.00 0.13 H new ATOM 0 HB2 ALA A 43 16.785 -11.725 11.445 1.00 0.13 H new ATOM 0 HB3 ALA A 43 18.503 -11.817 10.990 1.00 0.13 H new ATOM 646 N ASN A 44 19.400 -8.475 12.847 1.00 0.07 N ATOM 647 CA ASN A 44 20.754 -7.972 13.193 1.00 0.10 C ATOM 648 C ASN A 44 21.353 -8.845 14.292 1.00 0.23 C ATOM 649 O ASN A 44 22.374 -8.523 14.866 1.00 0.29 O ATOM 650 CB ASN A 44 20.646 -6.530 13.694 1.00 0.10 C ATOM 651 CG ASN A 44 19.751 -6.496 14.935 1.00 0.63 C ATOM 652 OD1 ASN A 44 19.676 -7.461 15.669 1.00 1.49 O ATOM 653 ND2 ASN A 44 19.064 -5.419 15.208 1.00 1.08 N ATOM 0 H ASN A 44 18.631 -8.052 13.366 1.00 0.07 H new ATOM 0 HA ASN A 44 21.393 -8.006 12.310 1.00 0.10 H new ATOM 0 HB2 ASN A 44 21.635 -6.140 13.933 1.00 0.10 H new ATOM 0 HB3 ASN A 44 20.232 -5.891 12.914 1.00 0.10 H new ATOM 0 HD21 ASN A 44 18.467 -5.391 16.035 1.00 1.08 H new ATOM 0 HD22 ASN A 44 19.124 -4.607 14.594 1.00 1.08 H new ATOM 660 N GLN A 45 20.727 -9.948 14.592 1.00 0.31 N ATOM 661 CA GLN A 45 21.264 -10.835 15.656 1.00 0.50 C ATOM 662 C GLN A 45 20.582 -12.202 15.591 1.00 0.47 C ATOM 663 O GLN A 45 19.409 -12.310 15.296 1.00 0.67 O ATOM 664 CB GLN A 45 21.013 -10.206 17.016 1.00 0.61 C ATOM 665 CG GLN A 45 19.591 -10.523 17.466 1.00 0.54 C ATOM 666 CD GLN A 45 19.008 -9.321 18.212 1.00 0.68 C ATOM 667 OE1 GLN A 45 19.311 -9.103 19.368 1.00 1.91 O ATOM 668 NE2 GLN A 45 18.181 -8.525 17.591 1.00 1.36 N ATOM 0 H GLN A 45 19.868 -10.272 14.146 1.00 0.31 H new ATOM 0 HA GLN A 45 22.336 -10.964 15.506 1.00 0.50 H new ATOM 0 HB2 GLN A 45 21.730 -10.587 17.743 1.00 0.61 H new ATOM 0 HB3 GLN A 45 21.157 -9.127 16.962 1.00 0.61 H new ATOM 0 HG2 GLN A 45 18.971 -10.763 16.603 1.00 0.54 H new ATOM 0 HG3 GLN A 45 19.591 -11.400 18.113 1.00 0.54 H new ATOM 0 HE21 GLN A 45 17.928 -8.709 16.620 1.00 1.36 H new ATOM 0 HE22 GLN A 45 17.788 -7.718 18.076 1.00 1.36 H new ATOM 677 N ASN A 46 21.310 -13.247 15.869 1.00 0.24 N ATOM 678 CA ASN A 46 20.702 -14.607 15.830 1.00 0.20 C ATOM 679 C ASN A 46 19.934 -14.848 17.135 1.00 0.20 C ATOM 680 O ASN A 46 20.493 -14.814 18.214 1.00 0.20 O ATOM 681 CB ASN A 46 21.808 -15.659 15.661 1.00 0.18 C ATOM 682 CG ASN A 46 22.350 -16.075 17.031 1.00 0.54 C ATOM 683 OD1 ASN A 46 22.882 -15.175 17.811 1.00 0.77 O flip ATOM 684 ND2 ASN A 46 22.290 -17.233 17.393 1.00 1.30 N flip ATOM 0 H ASN A 46 22.298 -13.219 16.121 1.00 0.24 H new ATOM 0 HA ASN A 46 20.014 -14.684 14.988 1.00 0.20 H new ATOM 0 HB2 ASN A 46 21.415 -16.530 15.136 1.00 0.18 H new ATOM 0 HB3 ASN A 46 22.615 -15.255 15.049 1.00 0.18 H new ATOM 0 HD21 ASN A 46 21.874 -17.937 16.783 1.00 1.30 H new ATOM 0 HD22 ASN A 46 22.656 -17.501 18.307 1.00 1.30 H new ATOM 691 N THR A 47 18.648 -15.071 17.051 1.00 0.20 N ATOM 692 CA THR A 47 17.851 -15.290 18.291 1.00 0.20 C ATOM 693 C THR A 47 16.837 -16.420 18.066 1.00 0.18 C ATOM 694 O THR A 47 16.294 -16.578 16.990 1.00 0.35 O ATOM 695 CB THR A 47 17.118 -13.991 18.648 1.00 0.21 C ATOM 696 OG1 THR A 47 16.043 -14.274 19.527 1.00 0.35 O ATOM 697 CG2 THR A 47 16.579 -13.336 17.378 1.00 0.19 C ATOM 0 H THR A 47 18.118 -15.111 16.180 1.00 0.20 H new ATOM 0 HA THR A 47 18.513 -15.573 19.109 1.00 0.20 H new ATOM 0 HB THR A 47 17.815 -13.311 19.137 1.00 0.21 H new ATOM 0 HG1 THR A 47 15.272 -13.717 19.291 1.00 0.35 H new ATOM 0 HG21 THR A 47 16.059 -12.414 17.637 1.00 0.19 H new ATOM 0 HG22 THR A 47 17.407 -13.110 16.706 1.00 0.19 H new ATOM 0 HG23 THR A 47 15.886 -14.017 16.884 1.00 0.19 H new ATOM 705 N LYS A 48 16.581 -17.209 19.079 1.00 0.15 N ATOM 706 CA LYS A 48 15.608 -18.332 18.938 1.00 0.20 C ATOM 707 C LYS A 48 14.196 -17.820 19.181 1.00 0.23 C ATOM 708 O LYS A 48 13.223 -18.512 18.952 1.00 0.34 O ATOM 709 CB LYS A 48 15.939 -19.414 19.963 1.00 0.22 C ATOM 710 CG LYS A 48 17.180 -20.171 19.500 1.00 0.25 C ATOM 711 CD LYS A 48 16.767 -21.262 18.509 1.00 0.36 C ATOM 712 CE LYS A 48 15.802 -22.232 19.193 1.00 0.55 C ATOM 713 NZ LYS A 48 15.676 -23.472 18.376 1.00 0.66 N ATOM 0 H LYS A 48 17.007 -17.122 20.002 1.00 0.15 H new ATOM 0 HA LYS A 48 15.673 -18.745 17.932 1.00 0.20 H new ATOM 0 HB2 LYS A 48 16.114 -18.966 20.941 1.00 0.22 H new ATOM 0 HB3 LYS A 48 15.098 -20.099 20.072 1.00 0.22 H new ATOM 0 HG2 LYS A 48 17.884 -19.485 19.030 1.00 0.25 H new ATOM 0 HG3 LYS A 48 17.690 -20.615 20.355 1.00 0.25 H new ATOM 0 HD2 LYS A 48 16.292 -20.815 17.636 1.00 0.36 H new ATOM 0 HD3 LYS A 48 17.647 -21.798 18.154 1.00 0.36 H new ATOM 0 HE2 LYS A 48 16.164 -22.478 20.191 1.00 0.55 H new ATOM 0 HE3 LYS A 48 14.825 -21.764 19.315 1.00 0.55 H new ATOM 0 HZ1 LYS A 48 15.020 -24.130 18.843 1.00 0.66 H new ATOM 0 HZ2 LYS A 48 15.312 -23.230 17.432 1.00 0.66 H new ATOM 0 HZ3 LYS A 48 16.609 -23.922 18.282 1.00 0.66 H new ATOM 727 N THR A 49 14.075 -16.612 19.638 1.00 0.17 N ATOM 728 CA THR A 49 12.728 -16.053 19.889 1.00 0.21 C ATOM 729 C THR A 49 12.766 -14.546 19.712 1.00 0.22 C ATOM 730 O THR A 49 13.701 -13.881 20.103 1.00 0.27 O ATOM 731 CB THR A 49 12.283 -16.405 21.301 1.00 0.34 C ATOM 732 OG1 THR A 49 13.357 -16.194 22.209 1.00 0.35 O ATOM 733 CG2 THR A 49 11.871 -17.868 21.320 1.00 0.41 C ATOM 0 H THR A 49 14.853 -15.987 19.849 1.00 0.17 H new ATOM 0 HA THR A 49 12.017 -16.477 19.180 1.00 0.21 H new ATOM 0 HB THR A 49 11.445 -15.776 21.600 1.00 0.34 H new ATOM 0 HG1 THR A 49 13.067 -16.420 23.117 1.00 0.35 H new ATOM 0 HG21 THR A 49 11.548 -18.142 22.324 1.00 0.41 H new ATOM 0 HG22 THR A 49 11.050 -18.024 20.620 1.00 0.41 H new ATOM 0 HG23 THR A 49 12.719 -18.489 21.030 1.00 0.41 H new ATOM 741 N ALA A 50 11.752 -14.009 19.116 1.00 0.21 N ATOM 742 CA ALA A 50 11.710 -12.547 18.888 1.00 0.27 C ATOM 743 C ALA A 50 10.376 -11.998 19.374 1.00 0.29 C ATOM 744 O ALA A 50 9.402 -12.713 19.468 1.00 0.30 O ATOM 745 CB ALA A 50 11.874 -12.262 17.401 1.00 0.26 C ATOM 0 H ALA A 50 10.941 -14.524 18.773 1.00 0.21 H new ATOM 0 HA ALA A 50 12.519 -12.066 19.438 1.00 0.27 H new ATOM 0 HB1 ALA A 50 11.843 -11.186 17.231 1.00 0.26 H new ATOM 0 HB2 ALA A 50 12.831 -12.656 17.058 1.00 0.26 H new ATOM 0 HB3 ALA A 50 11.066 -12.740 16.848 1.00 0.26 H new ATOM 751 N LYS A 51 10.325 -10.737 19.700 1.00 0.30 N ATOM 752 CA LYS A 51 9.052 -10.159 20.202 1.00 0.32 C ATOM 753 C LYS A 51 8.684 -8.892 19.439 1.00 0.28 C ATOM 754 O LYS A 51 9.453 -7.952 19.374 1.00 0.36 O ATOM 755 CB LYS A 51 9.225 -9.762 21.665 1.00 0.30 C ATOM 756 CG LYS A 51 8.582 -10.795 22.579 1.00 0.47 C ATOM 757 CD LYS A 51 7.738 -10.066 23.625 1.00 0.54 C ATOM 758 CE LYS A 51 8.477 -8.801 24.099 1.00 0.50 C ATOM 759 NZ LYS A 51 8.312 -8.654 25.573 1.00 0.58 N ATOM 0 H LYS A 51 11.107 -10.085 19.640 1.00 0.30 H new ATOM 0 HA LYS A 51 8.273 -10.910 20.073 1.00 0.32 H new ATOM 0 HB2 LYS A 51 10.285 -9.670 21.900 1.00 0.30 H new ATOM 0 HB3 LYS A 51 8.775 -8.785 21.838 1.00 0.30 H new ATOM 0 HG2 LYS A 51 7.960 -11.477 22.000 1.00 0.47 H new ATOM 0 HG3 LYS A 51 9.348 -11.398 23.065 1.00 0.47 H new ATOM 0 HD2 LYS A 51 6.770 -9.796 23.202 1.00 0.54 H new ATOM 0 HD3 LYS A 51 7.543 -10.724 24.472 1.00 0.54 H new ATOM 0 HE2 LYS A 51 9.535 -8.868 23.845 1.00 0.50 H new ATOM 0 HE3 LYS A 51 8.082 -7.923 23.588 1.00 0.50 H new ATOM 0 HZ1 LYS A 51 8.811 -7.800 25.895 1.00 0.58 H new ATOM 0 HZ2 LYS A 51 7.301 -8.572 25.803 1.00 0.58 H new ATOM 0 HZ3 LYS A 51 8.709 -9.488 26.052 1.00 0.58 H new ATOM 773 N ILE A 52 7.493 -8.823 18.923 1.00 0.32 N ATOM 774 CA ILE A 52 7.072 -7.578 18.244 1.00 0.37 C ATOM 775 C ILE A 52 6.178 -6.822 19.222 1.00 0.72 C ATOM 776 O ILE A 52 5.230 -7.363 19.755 1.00 1.21 O ATOM 777 CB ILE A 52 6.287 -7.883 16.965 1.00 0.57 C ATOM 778 CG1 ILE A 52 6.055 -6.578 16.191 1.00 0.89 C ATOM 779 CG2 ILE A 52 4.938 -8.496 17.334 1.00 0.58 C ATOM 780 CD1 ILE A 52 4.626 -6.553 15.650 1.00 0.67 C ATOM 0 H ILE A 52 6.799 -9.570 18.943 1.00 0.32 H new ATOM 0 HA ILE A 52 7.946 -6.992 17.960 1.00 0.37 H new ATOM 0 HB ILE A 52 6.850 -8.582 16.347 1.00 0.57 H new ATOM 0 HG12 ILE A 52 6.223 -5.721 16.843 1.00 0.89 H new ATOM 0 HG13 ILE A 52 6.767 -6.498 15.370 1.00 0.89 H new ATOM 0 HG21 ILE A 52 4.377 -8.714 16.425 1.00 0.58 H new ATOM 0 HG22 ILE A 52 5.098 -9.419 17.892 1.00 0.58 H new ATOM 0 HG23 ILE A 52 4.375 -7.793 17.948 1.00 0.58 H new ATOM 0 HD11 ILE A 52 4.461 -5.626 15.100 1.00 0.67 H new ATOM 0 HD12 ILE A 52 4.474 -7.402 14.984 1.00 0.67 H new ATOM 0 HD13 ILE A 52 3.922 -6.613 16.480 1.00 0.67 H new ATOM 792 N GLU A 53 6.469 -5.587 19.471 1.00 0.77 N ATOM 793 CA GLU A 53 5.634 -4.811 20.418 1.00 1.12 C ATOM 794 C GLU A 53 5.476 -3.398 19.874 1.00 0.74 C ATOM 795 O GLU A 53 6.430 -2.662 19.711 1.00 1.04 O ATOM 796 CB GLU A 53 6.258 -4.792 21.831 1.00 1.99 C ATOM 797 CG GLU A 53 7.768 -4.522 21.797 1.00 0.90 C ATOM 798 CD GLU A 53 8.499 -5.628 21.034 1.00 3.13 C ATOM 799 OE1 GLU A 53 8.460 -6.759 21.490 1.00 3.48 O ATOM 800 OE2 GLU A 53 9.083 -5.324 20.007 1.00 4.66 O ATOM 0 H GLU A 53 7.251 -5.077 19.060 1.00 0.77 H new ATOM 0 HA GLU A 53 4.656 -5.283 20.510 1.00 1.12 H new ATOM 0 HB2 GLU A 53 5.768 -4.026 22.432 1.00 1.99 H new ATOM 0 HB3 GLU A 53 6.073 -5.748 22.320 1.00 1.99 H new ATOM 0 HG2 GLU A 53 7.960 -3.559 21.323 1.00 0.90 H new ATOM 0 HG3 GLU A 53 8.154 -4.459 22.814 1.00 0.90 H new ATOM 807 N ILE A 54 4.268 -3.031 19.569 1.00 0.54 N ATOM 808 CA ILE A 54 4.002 -1.690 19.002 1.00 0.34 C ATOM 809 C ILE A 54 3.633 -0.728 20.130 1.00 0.36 C ATOM 810 O ILE A 54 2.790 -1.016 20.955 1.00 0.31 O ATOM 811 CB ILE A 54 2.847 -1.821 18.011 1.00 0.42 C ATOM 812 CG1 ILE A 54 3.145 -2.972 17.043 1.00 0.53 C ATOM 813 CG2 ILE A 54 2.690 -0.524 17.227 1.00 0.57 C ATOM 814 CD1 ILE A 54 2.637 -4.286 17.639 1.00 0.86 C ATOM 0 H ILE A 54 3.441 -3.615 19.692 1.00 0.54 H new ATOM 0 HA ILE A 54 4.883 -1.300 18.493 1.00 0.34 H new ATOM 0 HB ILE A 54 1.923 -2.024 18.553 1.00 0.42 H new ATOM 0 HG12 ILE A 54 2.665 -2.787 16.082 1.00 0.53 H new ATOM 0 HG13 ILE A 54 4.217 -3.036 16.856 1.00 0.53 H new ATOM 0 HG21 ILE A 54 1.865 -0.623 16.522 1.00 0.57 H new ATOM 0 HG22 ILE A 54 2.482 0.295 17.916 1.00 0.57 H new ATOM 0 HG23 ILE A 54 3.610 -0.315 16.682 1.00 0.57 H new ATOM 0 HD11 ILE A 54 2.849 -5.104 16.950 1.00 0.86 H new ATOM 0 HD12 ILE A 54 3.138 -4.472 18.589 1.00 0.86 H new ATOM 0 HD13 ILE A 54 1.561 -4.219 17.803 1.00 0.86 H new ATOM 826 N LYS A 55 4.266 0.410 20.177 1.00 0.43 N ATOM 827 CA LYS A 55 3.962 1.382 21.259 1.00 0.47 C ATOM 828 C LYS A 55 3.351 2.639 20.660 1.00 0.46 C ATOM 829 O LYS A 55 3.774 3.126 19.634 1.00 0.47 O ATOM 830 CB LYS A 55 5.247 1.728 22.005 1.00 0.53 C ATOM 831 CG LYS A 55 5.704 0.489 22.763 1.00 0.68 C ATOM 832 CD LYS A 55 6.529 0.904 23.981 1.00 0.52 C ATOM 833 CE LYS A 55 8.007 0.606 23.724 1.00 0.63 C ATOM 834 NZ LYS A 55 8.849 1.538 24.527 1.00 0.96 N ATOM 0 H LYS A 55 4.980 0.708 19.513 1.00 0.43 H new ATOM 0 HA LYS A 55 3.250 0.942 21.957 1.00 0.47 H new ATOM 0 HB2 LYS A 55 6.018 2.052 21.305 1.00 0.53 H new ATOM 0 HB3 LYS A 55 5.076 2.554 22.695 1.00 0.53 H new ATOM 0 HG2 LYS A 55 4.840 -0.095 23.079 1.00 0.68 H new ATOM 0 HG3 LYS A 55 6.298 -0.150 22.110 1.00 0.68 H new ATOM 0 HD2 LYS A 55 6.391 1.966 24.182 1.00 0.52 H new ATOM 0 HD3 LYS A 55 6.187 0.366 24.865 1.00 0.52 H new ATOM 0 HE2 LYS A 55 8.233 -0.426 23.991 1.00 0.63 H new ATOM 0 HE3 LYS A 55 8.232 0.718 22.663 1.00 0.63 H new ATOM 0 HZ1 LYS A 55 9.854 1.336 24.352 1.00 0.96 H new ATOM 0 HZ2 LYS A 55 8.640 2.519 24.252 1.00 0.96 H new ATOM 0 HZ3 LYS A 55 8.641 1.410 25.538 1.00 0.96 H new ATOM 848 N ALA A 56 2.350 3.163 21.290 1.00 0.50 N ATOM 849 CA ALA A 56 1.698 4.384 20.743 1.00 0.50 C ATOM 850 C ALA A 56 1.795 5.533 21.744 1.00 0.50 C ATOM 851 O ALA A 56 1.425 5.406 22.895 1.00 0.41 O ATOM 852 CB ALA A 56 0.228 4.085 20.451 1.00 0.51 C ATOM 0 H ALA A 56 1.951 2.805 22.158 1.00 0.50 H new ATOM 0 HA ALA A 56 2.206 4.675 19.824 1.00 0.50 H new ATOM 0 HB1 ALA A 56 -0.252 4.978 20.050 1.00 0.51 H new ATOM 0 HB2 ALA A 56 0.159 3.277 19.722 1.00 0.51 H new ATOM 0 HB3 ALA A 56 -0.272 3.786 21.372 1.00 0.51 H new ATOM 858 N SER A 57 2.274 6.663 21.302 1.00 0.62 N ATOM 859 CA SER A 57 2.380 7.838 22.209 1.00 0.62 C ATOM 860 C SER A 57 1.488 8.949 21.662 1.00 0.86 C ATOM 861 O SER A 57 1.767 9.545 20.641 1.00 1.89 O ATOM 862 CB SER A 57 3.829 8.321 22.272 1.00 1.22 C ATOM 863 OG SER A 57 4.687 7.305 21.771 1.00 3.59 O ATOM 0 H SER A 57 2.597 6.823 20.348 1.00 0.62 H new ATOM 0 HA SER A 57 2.063 7.562 23.215 1.00 0.62 H new ATOM 0 HB2 SER A 57 3.946 9.233 21.686 1.00 1.22 H new ATOM 0 HB3 SER A 57 4.098 8.566 23.300 1.00 1.22 H new ATOM 0 HG SER A 57 5.616 7.614 21.809 1.00 3.59 H new ATOM 869 N LEU A 58 0.406 9.217 22.330 1.00 0.70 N ATOM 870 CA LEU A 58 -0.531 10.271 21.857 1.00 0.99 C ATOM 871 C LEU A 58 0.016 11.654 22.202 1.00 0.79 C ATOM 872 O LEU A 58 1.130 11.799 22.664 1.00 2.51 O ATOM 873 CB LEU A 58 -1.901 10.086 22.517 1.00 1.48 C ATOM 874 CG LEU A 58 -2.094 8.629 22.946 1.00 1.23 C ATOM 875 CD1 LEU A 58 -3.560 8.394 23.309 1.00 2.08 C ATOM 876 CD2 LEU A 58 -1.697 7.697 21.797 1.00 1.54 C ATOM 0 H LEU A 58 0.127 8.748 23.191 1.00 0.70 H new ATOM 0 HA LEU A 58 -0.635 10.186 20.775 1.00 0.99 H new ATOM 0 HB2 LEU A 58 -1.986 10.741 23.384 1.00 1.48 H new ATOM 0 HB3 LEU A 58 -2.689 10.374 21.821 1.00 1.48 H new ATOM 0 HG LEU A 58 -1.466 8.422 23.813 1.00 1.23 H new ATOM 0 HD11 LEU A 58 -3.697 7.357 23.614 1.00 2.08 H new ATOM 0 HD12 LEU A 58 -3.842 9.054 24.129 1.00 2.08 H new ATOM 0 HD13 LEU A 58 -4.187 8.603 22.443 1.00 2.08 H new ATOM 0 HD21 LEU A 58 -1.835 6.661 22.105 1.00 1.54 H new ATOM 0 HD22 LEU A 58 -2.322 7.904 20.928 1.00 1.54 H new ATOM 0 HD23 LEU A 58 -0.651 7.862 21.539 1.00 1.54 H new ATOM 888 N ASP A 59 -0.760 12.671 21.966 1.00 1.21 N ATOM 889 CA ASP A 59 -0.292 14.051 22.264 1.00 1.32 C ATOM 890 C ASP A 59 0.208 14.144 23.708 1.00 1.12 C ATOM 891 O ASP A 59 1.128 14.880 24.001 1.00 1.10 O ATOM 892 CB ASP A 59 -1.451 15.030 22.068 1.00 1.75 C ATOM 893 CG ASP A 59 -2.334 15.031 23.316 1.00 4.19 C ATOM 894 OD1 ASP A 59 -2.978 14.024 23.562 1.00 5.42 O ATOM 895 OD2 ASP A 59 -2.349 16.037 24.006 1.00 5.32 O ATOM 0 H ASP A 59 -1.701 12.607 21.578 1.00 1.21 H new ATOM 0 HA ASP A 59 0.527 14.300 21.589 1.00 1.32 H new ATOM 0 HB2 ASP A 59 -1.066 16.033 21.881 1.00 1.75 H new ATOM 0 HB3 ASP A 59 -2.038 14.745 21.195 1.00 1.75 H new ATOM 900 N GLY A 60 -0.388 13.422 24.622 1.00 1.86 N ATOM 901 CA GLY A 60 0.081 13.519 26.038 1.00 1.74 C ATOM 902 C GLY A 60 -0.060 12.179 26.772 1.00 1.98 C ATOM 903 O GLY A 60 0.256 12.079 27.941 1.00 2.71 O ATOM 0 H GLY A 60 -1.164 12.781 24.455 1.00 1.86 H new ATOM 0 HA2 GLY A 60 1.124 13.836 26.056 1.00 1.74 H new ATOM 0 HA3 GLY A 60 -0.494 14.283 26.561 1.00 1.74 H new ATOM 907 N LEU A 61 -0.525 11.149 26.121 1.00 1.57 N ATOM 908 CA LEU A 61 -0.660 9.846 26.826 1.00 1.86 C ATOM 909 C LEU A 61 0.320 8.839 26.222 1.00 1.23 C ATOM 910 O LEU A 61 0.128 8.350 25.132 1.00 1.00 O ATOM 911 CB LEU A 61 -2.095 9.333 26.670 1.00 2.39 C ATOM 912 CG LEU A 61 -2.136 7.824 26.919 1.00 2.28 C ATOM 913 CD1 LEU A 61 -1.770 7.537 28.376 1.00 2.51 C ATOM 914 CD2 LEU A 61 -3.547 7.302 26.631 1.00 3.13 C ATOM 0 H LEU A 61 -0.814 11.153 25.143 1.00 1.57 H new ATOM 0 HA LEU A 61 -0.436 9.974 27.885 1.00 1.86 H new ATOM 0 HB2 LEU A 61 -2.752 9.845 27.373 1.00 2.39 H new ATOM 0 HB3 LEU A 61 -2.464 9.556 25.669 1.00 2.39 H new ATOM 0 HG LEU A 61 -1.422 7.325 26.263 1.00 2.28 H new ATOM 0 HD11 LEU A 61 -1.799 6.462 28.554 1.00 2.51 H new ATOM 0 HD12 LEU A 61 -0.767 7.911 28.580 1.00 2.51 H new ATOM 0 HD13 LEU A 61 -2.483 8.033 29.035 1.00 2.51 H new ATOM 0 HD21 LEU A 61 -3.580 6.227 26.807 1.00 3.13 H new ATOM 0 HD22 LEU A 61 -4.260 7.800 27.288 1.00 3.13 H new ATOM 0 HD23 LEU A 61 -3.806 7.507 25.592 1.00 3.13 H new ATOM 926 N GLU A 62 1.363 8.507 26.931 1.00 1.23 N ATOM 927 CA GLU A 62 2.341 7.522 26.392 1.00 0.79 C ATOM 928 C GLU A 62 1.993 6.141 26.945 1.00 0.68 C ATOM 929 O GLU A 62 1.835 5.960 28.135 1.00 0.75 O ATOM 930 CB GLU A 62 3.763 7.942 26.797 1.00 1.05 C ATOM 931 CG GLU A 62 4.537 6.775 27.425 1.00 2.13 C ATOM 932 CD GLU A 62 4.301 6.769 28.936 1.00 4.23 C ATOM 933 OE1 GLU A 62 4.653 7.749 29.571 1.00 4.20 O ATOM 934 OE2 GLU A 62 3.770 5.788 29.432 1.00 6.10 O ATOM 0 H GLU A 62 1.580 8.874 27.858 1.00 1.23 H new ATOM 0 HA GLU A 62 2.296 7.488 25.303 1.00 0.79 H new ATOM 0 HB2 GLU A 62 4.299 8.306 25.921 1.00 1.05 H new ATOM 0 HB3 GLU A 62 3.711 8.769 27.505 1.00 1.05 H new ATOM 0 HG2 GLU A 62 4.210 5.830 26.990 1.00 2.13 H new ATOM 0 HG3 GLU A 62 5.601 6.872 27.212 1.00 2.13 H new ATOM 941 N ILE A 63 1.849 5.169 26.088 1.00 0.72 N ATOM 942 CA ILE A 63 1.494 3.815 26.559 1.00 0.91 C ATOM 943 C ILE A 63 2.100 2.780 25.626 1.00 0.72 C ATOM 944 O ILE A 63 2.607 3.081 24.565 1.00 0.46 O ATOM 945 CB ILE A 63 -0.035 3.684 26.553 1.00 1.18 C ATOM 946 CG1 ILE A 63 -0.589 4.025 27.934 1.00 1.91 C ATOM 947 CG2 ILE A 63 -0.492 2.280 26.152 1.00 1.12 C ATOM 948 CD1 ILE A 63 0.161 3.218 28.988 1.00 4.53 C ATOM 0 H ILE A 63 1.964 5.261 25.079 1.00 0.72 H new ATOM 0 HA ILE A 63 1.878 3.653 27.566 1.00 0.91 H new ATOM 0 HB ILE A 63 -0.419 4.383 25.811 1.00 1.18 H new ATOM 0 HG12 ILE A 63 -0.480 5.092 28.130 1.00 1.91 H new ATOM 0 HG13 ILE A 63 -1.655 3.801 27.977 1.00 1.91 H new ATOM 0 HG21 ILE A 63 -1.581 2.235 26.162 1.00 1.12 H new ATOM 0 HG22 ILE A 63 -0.129 2.051 25.150 1.00 1.12 H new ATOM 0 HG23 ILE A 63 -0.092 1.552 26.858 1.00 1.12 H new ATOM 0 HD11 ILE A 63 -0.231 3.458 29.977 1.00 4.53 H new ATOM 0 HD12 ILE A 63 0.029 2.154 28.794 1.00 4.53 H new ATOM 0 HD13 ILE A 63 1.222 3.465 28.948 1.00 4.53 H new ATOM 960 N ASP A 64 1.998 1.563 26.021 1.00 0.90 N ATOM 961 CA ASP A 64 2.502 0.442 25.195 1.00 0.85 C ATOM 962 C ASP A 64 1.285 -0.323 24.704 1.00 0.84 C ATOM 963 O ASP A 64 0.526 -0.856 25.484 1.00 1.43 O ATOM 964 CB ASP A 64 3.398 -0.469 26.030 1.00 1.12 C ATOM 965 CG ASP A 64 2.804 -1.878 26.075 1.00 3.04 C ATOM 966 OD1 ASP A 64 2.829 -2.544 25.052 1.00 4.65 O ATOM 967 OD2 ASP A 64 2.337 -2.269 27.131 1.00 3.50 O ATOM 0 H ASP A 64 1.576 1.282 26.906 1.00 0.90 H new ATOM 0 HA ASP A 64 3.096 0.810 24.358 1.00 0.85 H new ATOM 0 HB2 ASP A 64 4.400 -0.500 25.603 1.00 1.12 H new ATOM 0 HB3 ASP A 64 3.495 -0.072 27.041 1.00 1.12 H new ATOM 972 N VAL A 65 1.075 -0.348 23.426 1.00 0.45 N ATOM 973 CA VAL A 65 -0.122 -1.037 22.881 1.00 0.40 C ATOM 974 C VAL A 65 -0.026 -2.553 23.114 1.00 0.26 C ATOM 975 O VAL A 65 0.797 -3.224 22.523 1.00 0.24 O ATOM 976 CB VAL A 65 -0.209 -0.726 21.398 1.00 0.40 C ATOM 977 CG1 VAL A 65 -1.557 -1.200 20.856 1.00 0.39 C ATOM 978 CG2 VAL A 65 -0.077 0.790 21.217 1.00 0.44 C ATOM 0 H VAL A 65 1.683 0.081 22.729 1.00 0.45 H new ATOM 0 HA VAL A 65 -1.020 -0.685 23.389 1.00 0.40 H new ATOM 0 HB VAL A 65 0.586 -1.237 20.855 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -1.620 -0.977 19.791 1.00 0.39 H new ATOM 0 HG12 VAL A 65 -1.652 -2.275 21.008 1.00 0.39 H new ATOM 0 HG13 VAL A 65 -2.362 -0.687 21.382 1.00 0.39 H new ATOM 0 HG21 VAL A 65 -0.137 1.036 20.157 1.00 0.44 H new ATOM 0 HG22 VAL A 65 -0.883 1.292 21.752 1.00 0.44 H new ATOM 0 HG23 VAL A 65 0.883 1.121 21.613 1.00 0.44 H new ATOM 988 N PRO A 66 -0.872 -3.033 23.995 1.00 0.29 N ATOM 989 CA PRO A 66 -0.934 -4.455 24.380 1.00 0.25 C ATOM 990 C PRO A 66 -1.896 -5.207 23.454 1.00 0.23 C ATOM 991 O PRO A 66 -2.191 -4.765 22.362 1.00 0.17 O ATOM 992 CB PRO A 66 -1.524 -4.399 25.793 1.00 0.42 C ATOM 993 CG PRO A 66 -2.314 -3.065 25.883 1.00 0.51 C ATOM 994 CD PRO A 66 -1.850 -2.193 24.703 1.00 0.46 C ATOM 0 HA PRO A 66 0.030 -4.961 24.324 1.00 0.25 H new ATOM 0 HB2 PRO A 66 -2.178 -5.251 25.975 1.00 0.42 H new ATOM 0 HB3 PRO A 66 -0.736 -4.436 26.545 1.00 0.42 H new ATOM 0 HG2 PRO A 66 -3.387 -3.247 25.830 1.00 0.51 H new ATOM 0 HG3 PRO A 66 -2.122 -2.565 26.832 1.00 0.51 H new ATOM 0 HD2 PRO A 66 -2.684 -1.922 24.056 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -1.399 -1.263 25.049 1.00 0.46 H new ATOM 1002 N GLY A 67 -2.409 -6.325 23.896 1.00 0.33 N ATOM 1003 CA GLY A 67 -3.373 -7.090 23.056 1.00 0.39 C ATOM 1004 C GLY A 67 -2.802 -7.302 21.656 1.00 0.48 C ATOM 1005 O GLY A 67 -3.481 -7.118 20.665 1.00 0.91 O ATOM 0 H GLY A 67 -2.201 -6.741 24.804 1.00 0.33 H new ATOM 0 HA2 GLY A 67 -3.585 -8.053 23.520 1.00 0.39 H new ATOM 0 HA3 GLY A 67 -4.319 -6.551 22.993 1.00 0.39 H new ATOM 1009 N ILE A 68 -1.562 -7.698 21.559 1.00 0.44 N ATOM 1010 CA ILE A 68 -0.967 -7.931 20.216 1.00 0.60 C ATOM 1011 C ILE A 68 -0.074 -9.180 20.258 1.00 0.38 C ATOM 1012 O ILE A 68 -0.437 -10.187 20.833 1.00 0.63 O ATOM 1013 CB ILE A 68 -0.151 -6.707 19.783 1.00 0.87 C ATOM 1014 CG1 ILE A 68 0.972 -6.460 20.789 1.00 0.87 C ATOM 1015 CG2 ILE A 68 -1.063 -5.480 19.714 1.00 1.13 C ATOM 1016 CD1 ILE A 68 2.252 -6.079 20.049 1.00 1.16 C ATOM 0 H ILE A 68 -0.939 -7.869 22.349 1.00 0.44 H new ATOM 0 HA ILE A 68 -1.765 -8.090 19.491 1.00 0.60 H new ATOM 0 HB ILE A 68 0.281 -6.889 18.799 1.00 0.87 H new ATOM 0 HG12 ILE A 68 0.688 -5.664 21.477 1.00 0.87 H new ATOM 0 HG13 ILE A 68 1.140 -7.355 21.388 1.00 0.87 H new ATOM 0 HG21 ILE A 68 -0.481 -4.611 19.406 1.00 1.13 H new ATOM 0 HG22 ILE A 68 -1.859 -5.658 18.991 1.00 1.13 H new ATOM 0 HG23 ILE A 68 -1.499 -5.295 20.696 1.00 1.13 H new ATOM 0 HD11 ILE A 68 3.051 -5.904 20.770 1.00 1.16 H new ATOM 0 HD12 ILE A 68 2.540 -6.889 19.379 1.00 1.16 H new ATOM 0 HD13 ILE A 68 2.081 -5.172 19.469 1.00 1.16 H new ATOM 1028 N ASP A 69 1.076 -9.140 19.631 1.00 0.32 N ATOM 1029 CA ASP A 69 1.953 -10.345 19.622 1.00 0.37 C ATOM 1030 C ASP A 69 3.286 -10.065 20.325 1.00 0.48 C ATOM 1031 O ASP A 69 4.166 -9.433 19.779 1.00 0.50 O ATOM 1032 CB ASP A 69 2.227 -10.748 18.171 1.00 0.46 C ATOM 1033 CG ASP A 69 2.395 -12.265 18.084 1.00 0.55 C ATOM 1034 OD1 ASP A 69 1.395 -12.957 18.175 1.00 1.60 O ATOM 1035 OD2 ASP A 69 3.521 -12.707 17.933 1.00 0.79 O ATOM 0 H ASP A 69 1.441 -8.330 19.129 1.00 0.32 H new ATOM 0 HA ASP A 69 1.445 -11.148 20.155 1.00 0.37 H new ATOM 0 HB2 ASP A 69 1.405 -10.426 17.532 1.00 0.46 H new ATOM 0 HB3 ASP A 69 3.127 -10.251 17.808 1.00 0.46 H new ATOM 1040 N THR A 70 3.458 -10.571 21.515 1.00 0.52 N ATOM 1041 CA THR A 70 4.751 -10.377 22.232 1.00 0.59 C ATOM 1042 C THR A 70 5.638 -11.575 21.904 1.00 0.57 C ATOM 1043 O THR A 70 6.191 -12.224 22.770 1.00 0.64 O ATOM 1044 CB THR A 70 4.502 -10.299 23.742 1.00 0.74 C ATOM 1045 OG1 THR A 70 3.594 -11.321 24.125 1.00 0.69 O ATOM 1046 CG2 THR A 70 3.908 -8.933 24.091 1.00 0.73 C ATOM 0 H THR A 70 2.758 -11.112 22.023 1.00 0.52 H new ATOM 0 HA THR A 70 5.232 -9.450 21.921 1.00 0.59 H new ATOM 0 HB THR A 70 5.445 -10.432 24.273 1.00 0.74 H new ATOM 0 HG1 THR A 70 3.436 -11.273 25.091 1.00 0.69 H new ATOM 0 HG21 THR A 70 3.731 -8.877 25.165 1.00 0.73 H new ATOM 0 HG22 THR A 70 4.604 -8.148 23.797 1.00 0.73 H new ATOM 0 HG23 THR A 70 2.965 -8.800 23.560 1.00 0.73 H new ATOM 1054 N ASN A 71 5.749 -11.873 20.637 1.00 0.51 N ATOM 1055 CA ASN A 71 6.570 -13.026 20.176 1.00 0.51 C ATOM 1056 C ASN A 71 6.420 -13.110 18.651 1.00 0.46 C ATOM 1057 O ASN A 71 5.605 -13.845 18.132 1.00 0.50 O ATOM 1058 CB ASN A 71 6.058 -14.308 20.837 1.00 0.60 C ATOM 1059 CG ASN A 71 6.860 -15.507 20.327 1.00 0.62 C ATOM 1060 OD1 ASN A 71 7.878 -15.343 19.686 1.00 0.74 O ATOM 1061 ND2 ASN A 71 6.438 -16.715 20.587 1.00 0.63 N ATOM 0 H ASN A 71 5.294 -11.353 19.887 1.00 0.51 H new ATOM 0 HA ASN A 71 7.619 -12.900 20.445 1.00 0.51 H new ATOM 0 HB2 ASN A 71 6.149 -14.231 21.920 1.00 0.60 H new ATOM 0 HB3 ASN A 71 5.000 -14.445 20.615 1.00 0.60 H new ATOM 0 HD21 ASN A 71 6.964 -17.522 20.252 1.00 0.63 H new ATOM 0 HD22 ASN A 71 5.583 -16.852 21.126 1.00 0.63 H new ATOM 1068 N ALA A 72 7.167 -12.305 17.940 1.00 0.41 N ATOM 1069 CA ALA A 72 7.042 -12.259 16.450 1.00 0.38 C ATOM 1070 C ALA A 72 7.465 -13.563 15.765 1.00 0.37 C ATOM 1071 O ALA A 72 7.346 -13.674 14.568 1.00 0.38 O ATOM 1072 CB ALA A 72 7.904 -11.119 15.908 1.00 0.33 C ATOM 0 H ALA A 72 7.865 -11.672 18.331 1.00 0.41 H new ATOM 0 HA ALA A 72 5.986 -12.104 16.228 1.00 0.38 H new ATOM 0 HB1 ALA A 72 7.816 -11.081 14.822 1.00 0.33 H new ATOM 0 HB2 ALA A 72 7.566 -10.174 16.332 1.00 0.33 H new ATOM 0 HB3 ALA A 72 8.945 -11.288 16.182 1.00 0.33 H new ATOM 1078 N CYS A 73 7.956 -14.548 16.464 1.00 0.36 N ATOM 1079 CA CYS A 73 8.352 -15.800 15.745 1.00 0.36 C ATOM 1080 C CYS A 73 7.103 -16.467 15.162 1.00 0.41 C ATOM 1081 O CYS A 73 7.185 -17.392 14.378 1.00 0.45 O ATOM 1082 CB CYS A 73 9.069 -16.773 16.692 1.00 0.31 C ATOM 1083 SG CYS A 73 9.202 -18.398 15.893 1.00 0.12 S ATOM 0 H CYS A 73 8.099 -14.548 17.474 1.00 0.36 H new ATOM 0 HA CYS A 73 9.040 -15.539 14.941 1.00 0.36 H new ATOM 0 HB2 CYS A 73 10.061 -16.394 16.939 1.00 0.31 H new ATOM 0 HB3 CYS A 73 8.518 -16.859 17.629 1.00 0.31 H new ATOM 1088 N HIS A 74 5.946 -15.989 15.517 1.00 0.42 N ATOM 1089 CA HIS A 74 4.700 -16.565 14.981 1.00 0.52 C ATOM 1090 C HIS A 74 4.521 -16.072 13.544 1.00 0.53 C ATOM 1091 O HIS A 74 3.984 -16.761 12.701 1.00 0.48 O ATOM 1092 CB HIS A 74 3.548 -16.103 15.882 1.00 0.60 C ATOM 1093 CG HIS A 74 2.263 -16.645 15.356 1.00 1.92 C ATOM 1094 ND1 HIS A 74 1.744 -16.619 14.107 1.00 1.24 N flip ATOM 1095 CD2 HIS A 74 1.341 -17.315 16.144 1.00 4.34 C flip ATOM 1096 CE1 HIS A 74 0.511 -17.261 14.087 1.00 3.23 C flip ATOM 1097 NE2 HIS A 74 0.315 -17.665 15.346 1.00 5.20 N flip ATOM 0 H HIS A 74 5.816 -15.212 16.165 1.00 0.42 H new ATOM 0 HA HIS A 74 4.724 -17.655 14.968 1.00 0.52 H new ATOM 0 HB2 HIS A 74 3.710 -16.447 16.904 1.00 0.60 H new ATOM 0 HB3 HIS A 74 3.511 -15.014 15.914 1.00 0.60 H new ATOM 0 HD1 HIS A 74 2.192 -16.190 13.297 1.00 1.24 H new ATOM 0 HD2 HIS A 74 1.429 -17.518 17.201 1.00 4.34 H new ATOM 0 HE1 HIS A 74 -0.144 -17.402 13.240 1.00 3.23 H new ATOM 1105 N PHE A 75 4.994 -14.892 13.249 1.00 0.60 N ATOM 1106 CA PHE A 75 4.855 -14.362 11.860 1.00 0.62 C ATOM 1107 C PHE A 75 6.199 -14.425 11.130 1.00 0.61 C ATOM 1108 O PHE A 75 6.259 -14.366 9.919 1.00 0.73 O ATOM 1109 CB PHE A 75 4.367 -12.916 11.925 1.00 0.64 C ATOM 1110 CG PHE A 75 3.059 -12.868 12.677 1.00 0.60 C ATOM 1111 CD1 PHE A 75 1.868 -13.212 12.028 1.00 0.61 C ATOM 1112 CD2 PHE A 75 3.037 -12.486 14.025 1.00 0.58 C ATOM 1113 CE1 PHE A 75 0.653 -13.170 12.722 1.00 0.60 C ATOM 1114 CE2 PHE A 75 1.822 -12.445 14.720 1.00 0.56 C ATOM 1115 CZ PHE A 75 0.631 -12.788 14.069 1.00 0.56 C ATOM 0 H PHE A 75 5.469 -14.273 13.906 1.00 0.60 H new ATOM 0 HA PHE A 75 4.135 -14.970 11.312 1.00 0.62 H new ATOM 0 HB2 PHE A 75 5.109 -12.291 12.422 1.00 0.64 H new ATOM 0 HB3 PHE A 75 4.237 -12.518 10.919 1.00 0.64 H new ATOM 0 HD1 PHE A 75 1.886 -13.510 10.990 1.00 0.61 H new ATOM 0 HD2 PHE A 75 3.956 -12.223 14.527 1.00 0.58 H new ATOM 0 HE1 PHE A 75 -0.266 -13.432 12.219 1.00 0.60 H new ATOM 0 HE2 PHE A 75 1.804 -12.149 15.758 1.00 0.56 H new ATOM 0 HZ PHE A 75 -0.305 -12.758 14.606 1.00 0.56 H new ATOM 1125 N VAL A 76 7.274 -14.557 11.854 1.00 0.48 N ATOM 1126 CA VAL A 76 8.609 -14.638 11.202 1.00 0.46 C ATOM 1127 C VAL A 76 9.195 -16.027 11.471 1.00 0.43 C ATOM 1128 O VAL A 76 8.655 -16.798 12.240 1.00 0.38 O ATOM 1129 CB VAL A 76 9.531 -13.539 11.736 1.00 0.41 C ATOM 1130 CG1 VAL A 76 8.761 -12.233 11.848 1.00 0.36 C ATOM 1131 CG2 VAL A 76 10.084 -13.939 13.103 1.00 0.51 C ATOM 0 H VAL A 76 7.285 -14.612 12.872 1.00 0.48 H new ATOM 0 HA VAL A 76 8.511 -14.488 10.127 1.00 0.46 H new ATOM 0 HB VAL A 76 10.364 -13.404 11.045 1.00 0.41 H new ATOM 0 HG11 VAL A 76 9.421 -11.453 12.228 1.00 0.36 H new ATOM 0 HG12 VAL A 76 8.388 -11.945 10.865 1.00 0.36 H new ATOM 0 HG13 VAL A 76 7.921 -12.363 12.531 1.00 0.36 H new ATOM 0 HG21 VAL A 76 10.739 -13.151 13.475 1.00 0.51 H new ATOM 0 HG22 VAL A 76 9.259 -14.085 13.801 1.00 0.51 H new ATOM 0 HG23 VAL A 76 10.649 -14.867 13.010 1.00 0.51 H new ATOM 1141 N LYS A 77 10.265 -16.369 10.816 1.00 0.50 N ATOM 1142 CA LYS A 77 10.851 -17.731 11.004 1.00 0.45 C ATOM 1143 C LYS A 77 11.981 -17.725 12.044 1.00 0.41 C ATOM 1144 O LYS A 77 13.136 -17.547 11.715 1.00 0.37 O ATOM 1145 CB LYS A 77 11.400 -18.252 9.665 1.00 0.47 C ATOM 1146 CG LYS A 77 11.420 -17.135 8.611 1.00 0.60 C ATOM 1147 CD LYS A 77 11.704 -17.728 7.234 1.00 1.36 C ATOM 1148 CE LYS A 77 13.211 -17.705 6.977 1.00 3.32 C ATOM 1149 NZ LYS A 77 13.535 -18.590 5.824 1.00 4.59 N ATOM 0 H LYS A 77 10.762 -15.769 10.158 1.00 0.50 H new ATOM 0 HA LYS A 77 10.057 -18.384 11.366 1.00 0.45 H new ATOM 0 HB2 LYS A 77 12.408 -18.642 9.807 1.00 0.47 H new ATOM 0 HB3 LYS A 77 10.785 -19.080 9.312 1.00 0.47 H new ATOM 0 HG2 LYS A 77 10.463 -16.614 8.602 1.00 0.60 H new ATOM 0 HG3 LYS A 77 12.182 -16.398 8.864 1.00 0.60 H new ATOM 0 HD2 LYS A 77 11.330 -18.750 7.181 1.00 1.36 H new ATOM 0 HD3 LYS A 77 11.183 -17.158 6.465 1.00 1.36 H new ATOM 0 HE2 LYS A 77 13.539 -16.686 6.770 1.00 3.32 H new ATOM 0 HE3 LYS A 77 13.747 -18.038 7.866 1.00 3.32 H new ATOM 0 HZ1 LYS A 77 14.560 -18.573 5.651 1.00 4.59 H new ATOM 0 HZ2 LYS A 77 13.236 -19.563 6.038 1.00 4.59 H new ATOM 0 HZ3 LYS A 77 13.035 -18.253 4.977 1.00 4.59 H new ATOM 1163 N CYS A 78 11.667 -17.964 13.292 1.00 0.41 N ATOM 1164 CA CYS A 78 12.741 -18.016 14.331 1.00 0.36 C ATOM 1165 C CYS A 78 13.335 -19.433 14.316 1.00 0.26 C ATOM 1166 O CYS A 78 12.660 -20.365 13.926 1.00 0.26 O ATOM 1167 CB CYS A 78 12.154 -17.690 15.713 1.00 0.39 C ATOM 1168 SG CYS A 78 11.084 -19.039 16.272 1.00 0.30 S ATOM 0 H CYS A 78 10.720 -18.124 13.635 1.00 0.41 H new ATOM 0 HA CYS A 78 13.518 -17.281 14.119 1.00 0.36 H new ATOM 0 HB2 CYS A 78 12.959 -17.534 16.431 1.00 0.39 H new ATOM 0 HB3 CYS A 78 11.585 -16.761 15.665 1.00 0.39 H new ATOM 1173 N PRO A 79 14.588 -19.563 14.690 1.00 0.18 N ATOM 1174 CA PRO A 79 15.434 -18.449 15.169 1.00 0.19 C ATOM 1175 C PRO A 79 15.787 -17.474 14.055 1.00 0.24 C ATOM 1176 O PRO A 79 16.223 -17.859 12.988 1.00 0.24 O ATOM 1177 CB PRO A 79 16.702 -19.145 15.679 1.00 0.08 C ATOM 1178 CG PRO A 79 16.741 -20.530 15.008 1.00 0.02 C ATOM 1179 CD PRO A 79 15.290 -20.862 14.617 1.00 0.07 C ATOM 0 HA PRO A 79 14.924 -17.855 15.927 1.00 0.19 H new ATOM 0 HB2 PRO A 79 17.590 -18.566 15.426 1.00 0.08 H new ATOM 0 HB3 PRO A 79 16.682 -19.240 16.765 1.00 0.08 H new ATOM 0 HG2 PRO A 79 17.387 -20.519 14.130 1.00 0.02 H new ATOM 0 HG3 PRO A 79 17.142 -21.281 15.689 1.00 0.02 H new ATOM 0 HD2 PRO A 79 15.235 -21.288 13.615 1.00 0.07 H new ATOM 0 HD3 PRO A 79 14.851 -21.591 15.298 1.00 0.07 H new ATOM 1187 N LEU A 80 15.635 -16.206 14.313 1.00 0.30 N ATOM 1188 CA LEU A 80 15.999 -15.206 13.285 1.00 0.35 C ATOM 1189 C LEU A 80 17.511 -15.123 13.245 1.00 0.29 C ATOM 1190 O LEU A 80 18.145 -14.561 14.113 1.00 0.33 O ATOM 1191 CB LEU A 80 15.440 -13.844 13.636 1.00 0.41 C ATOM 1192 CG LEU A 80 13.937 -13.949 13.868 1.00 0.47 C ATOM 1193 CD1 LEU A 80 13.467 -12.739 14.670 1.00 0.40 C ATOM 1194 CD2 LEU A 80 13.229 -13.980 12.514 1.00 0.49 C ATOM 0 H LEU A 80 15.276 -15.825 15.188 1.00 0.30 H new ATOM 0 HA LEU A 80 15.589 -15.505 12.320 1.00 0.35 H new ATOM 0 HB2 LEU A 80 15.930 -13.459 14.530 1.00 0.41 H new ATOM 0 HB3 LEU A 80 15.645 -13.138 12.831 1.00 0.41 H new ATOM 0 HG LEU A 80 13.705 -14.859 14.422 1.00 0.47 H new ATOM 0 HD11 LEU A 80 12.392 -12.809 14.839 1.00 0.40 H new ATOM 0 HD12 LEU A 80 13.984 -12.715 15.629 1.00 0.40 H new ATOM 0 HD13 LEU A 80 13.688 -11.827 14.116 1.00 0.40 H new ATOM 0 HD21 LEU A 80 12.153 -14.055 12.668 1.00 0.49 H new ATOM 0 HD22 LEU A 80 13.454 -13.066 11.965 1.00 0.49 H new ATOM 0 HD23 LEU A 80 13.575 -14.841 11.942 1.00 0.49 H new ATOM 1206 N VAL A 81 18.083 -15.701 12.251 1.00 0.36 N ATOM 1207 CA VAL A 81 19.561 -15.705 12.127 1.00 0.28 C ATOM 1208 C VAL A 81 20.056 -14.308 11.759 1.00 0.39 C ATOM 1209 O VAL A 81 19.467 -13.617 10.953 1.00 0.57 O ATOM 1210 CB VAL A 81 19.970 -16.712 11.055 1.00 0.29 C ATOM 1211 CG1 VAL A 81 21.468 -16.586 10.775 1.00 0.33 C ATOM 1212 CG2 VAL A 81 19.659 -18.125 11.556 1.00 0.28 C ATOM 0 H VAL A 81 17.588 -16.182 11.500 1.00 0.36 H new ATOM 0 HA VAL A 81 20.009 -15.991 13.079 1.00 0.28 H new ATOM 0 HB VAL A 81 19.418 -16.516 10.136 1.00 0.29 H new ATOM 0 HG11 VAL A 81 21.757 -17.306 10.009 1.00 0.33 H new ATOM 0 HG12 VAL A 81 21.689 -15.577 10.426 1.00 0.33 H new ATOM 0 HG13 VAL A 81 22.027 -16.785 11.689 1.00 0.33 H new ATOM 0 HG21 VAL A 81 19.948 -18.852 10.797 1.00 0.28 H new ATOM 0 HG22 VAL A 81 20.216 -18.317 12.473 1.00 0.28 H new ATOM 0 HG23 VAL A 81 18.591 -18.213 11.755 1.00 0.28 H new ATOM 1222 N LYS A 82 21.136 -13.892 12.356 1.00 0.32 N ATOM 1223 CA LYS A 82 21.689 -12.550 12.069 1.00 0.41 C ATOM 1224 C LYS A 82 22.248 -12.518 10.656 1.00 0.40 C ATOM 1225 O LYS A 82 23.286 -13.082 10.370 1.00 0.51 O ATOM 1226 CB LYS A 82 22.795 -12.258 13.079 1.00 0.52 C ATOM 1227 CG LYS A 82 23.669 -11.134 12.552 1.00 0.39 C ATOM 1228 CD LYS A 82 24.725 -10.769 13.596 1.00 0.73 C ATOM 1229 CE LYS A 82 25.348 -12.047 14.163 1.00 0.38 C ATOM 1230 NZ LYS A 82 25.945 -12.846 13.054 1.00 2.45 N ATOM 0 H LYS A 82 21.663 -14.436 13.039 1.00 0.32 H new ATOM 0 HA LYS A 82 20.907 -11.795 12.149 1.00 0.41 H new ATOM 0 HB2 LYS A 82 22.362 -11.978 14.039 1.00 0.52 H new ATOM 0 HB3 LYS A 82 23.395 -13.152 13.248 1.00 0.52 H new ATOM 0 HG2 LYS A 82 24.152 -11.440 11.624 1.00 0.39 H new ATOM 0 HG3 LYS A 82 23.057 -10.263 12.320 1.00 0.39 H new ATOM 0 HD2 LYS A 82 25.497 -10.145 13.145 1.00 0.73 H new ATOM 0 HD3 LYS A 82 24.272 -10.186 14.398 1.00 0.73 H new ATOM 0 HE2 LYS A 82 26.114 -11.796 14.897 1.00 0.38 H new ATOM 0 HE3 LYS A 82 24.590 -12.634 14.681 1.00 0.38 H new ATOM 0 HZ1 LYS A 82 26.887 -13.183 13.337 1.00 2.45 H new ATOM 0 HZ2 LYS A 82 25.334 -13.662 12.846 1.00 2.45 H new ATOM 0 HZ3 LYS A 82 26.030 -12.252 12.205 1.00 2.45 H new ATOM 1244 N GLY A 83 21.568 -11.853 9.771 1.00 0.43 N ATOM 1245 CA GLY A 83 22.061 -11.776 8.377 1.00 0.40 C ATOM 1246 C GLY A 83 20.931 -12.099 7.397 1.00 0.31 C ATOM 1247 O GLY A 83 21.001 -11.776 6.229 1.00 0.33 O ATOM 0 H GLY A 83 20.694 -11.361 9.954 1.00 0.43 H new ATOM 0 HA2 GLY A 83 22.452 -10.778 8.177 1.00 0.40 H new ATOM 0 HA3 GLY A 83 22.885 -12.475 8.236 1.00 0.40 H new ATOM 1251 N GLN A 84 19.882 -12.721 7.863 1.00 0.26 N ATOM 1252 CA GLN A 84 18.746 -13.049 6.955 1.00 0.18 C ATOM 1253 C GLN A 84 17.670 -11.998 7.140 1.00 0.16 C ATOM 1254 O GLN A 84 17.513 -11.449 8.207 1.00 0.31 O ATOM 1255 CB GLN A 84 18.172 -14.428 7.309 1.00 0.18 C ATOM 1256 CG GLN A 84 16.690 -14.528 6.898 1.00 0.21 C ATOM 1257 CD GLN A 84 16.591 -14.621 5.374 1.00 0.25 C ATOM 1258 OE1 GLN A 84 17.561 -14.400 4.676 1.00 0.20 O ATOM 1259 NE2 GLN A 84 15.453 -14.945 4.825 1.00 0.44 N ATOM 0 H GLN A 84 19.763 -13.016 8.832 1.00 0.26 H new ATOM 0 HA GLN A 84 19.092 -13.065 5.921 1.00 0.18 H new ATOM 0 HB2 GLN A 84 18.746 -15.206 6.806 1.00 0.18 H new ATOM 0 HB3 GLN A 84 18.269 -14.603 8.380 1.00 0.18 H new ATOM 0 HG2 GLN A 84 16.232 -15.404 7.357 1.00 0.21 H new ATOM 0 HG3 GLN A 84 16.142 -13.657 7.257 1.00 0.21 H new ATOM 0 HE21 GLN A 84 14.639 -15.131 5.411 1.00 0.44 H new ATOM 0 HE22 GLN A 84 15.377 -15.013 3.810 1.00 0.44 H new ATOM 1268 N GLN A 85 16.899 -11.741 6.131 1.00 0.09 N ATOM 1269 CA GLN A 85 15.814 -10.752 6.288 1.00 0.08 C ATOM 1270 C GLN A 85 14.527 -11.527 6.529 1.00 0.06 C ATOM 1271 O GLN A 85 14.323 -12.594 5.984 1.00 0.08 O ATOM 1272 CB GLN A 85 15.694 -9.889 5.035 1.00 0.05 C ATOM 1273 CG GLN A 85 14.221 -9.713 4.705 1.00 0.10 C ATOM 1274 CD GLN A 85 14.066 -8.788 3.495 1.00 0.10 C ATOM 1275 OE1 GLN A 85 14.141 -7.583 3.624 1.00 0.66 O ATOM 1276 NE2 GLN A 85 13.848 -9.307 2.317 1.00 0.79 N ATOM 0 H GLN A 85 16.973 -12.171 5.209 1.00 0.09 H new ATOM 0 HA GLN A 85 16.020 -10.084 7.125 1.00 0.08 H new ATOM 0 HB2 GLN A 85 16.163 -8.919 5.198 1.00 0.05 H new ATOM 0 HB3 GLN A 85 16.215 -10.359 4.201 1.00 0.05 H new ATOM 0 HG2 GLN A 85 13.768 -10.682 4.494 1.00 0.10 H new ATOM 0 HG3 GLN A 85 13.694 -9.295 5.563 1.00 0.10 H new ATOM 0 HE21 GLN A 85 13.785 -10.319 2.209 1.00 0.79 H new ATOM 0 HE22 GLN A 85 13.741 -8.700 1.504 1.00 0.79 H new ATOM 1285 N TYR A 86 13.675 -11.027 7.368 1.00 0.15 N ATOM 1286 CA TYR A 86 12.425 -11.761 7.674 1.00 0.21 C ATOM 1287 C TYR A 86 11.212 -10.910 7.319 1.00 0.19 C ATOM 1288 O TYR A 86 11.250 -9.696 7.370 1.00 0.17 O ATOM 1289 CB TYR A 86 12.426 -12.096 9.163 1.00 0.24 C ATOM 1290 CG TYR A 86 13.463 -13.150 9.407 1.00 0.26 C ATOM 1291 CD1 TYR A 86 14.820 -12.829 9.335 1.00 0.19 C ATOM 1292 CD2 TYR A 86 13.064 -14.453 9.674 1.00 0.37 C ATOM 1293 CE1 TYR A 86 15.780 -13.823 9.531 1.00 0.20 C ATOM 1294 CE2 TYR A 86 14.020 -15.447 9.876 1.00 0.39 C ATOM 1295 CZ TYR A 86 15.380 -15.136 9.800 1.00 0.29 C ATOM 1296 OH TYR A 86 16.321 -16.125 9.982 1.00 0.31 O ATOM 0 H TYR A 86 13.790 -10.139 7.857 1.00 0.15 H new ATOM 0 HA TYR A 86 12.372 -12.677 7.086 1.00 0.21 H new ATOM 0 HB2 TYR A 86 12.644 -11.205 9.752 1.00 0.24 H new ATOM 0 HB3 TYR A 86 11.443 -12.451 9.473 1.00 0.24 H new ATOM 0 HD1 TYR A 86 15.126 -11.814 9.128 1.00 0.19 H new ATOM 0 HD2 TYR A 86 12.013 -14.696 9.725 1.00 0.37 H new ATOM 0 HE1 TYR A 86 16.830 -13.579 9.475 1.00 0.20 H new ATOM 0 HE2 TYR A 86 13.709 -16.459 10.091 1.00 0.39 H new ATOM 0 HH TYR A 86 15.870 -16.977 10.161 1.00 0.31 H new ATOM 1306 N ASP A 87 10.130 -11.542 6.962 1.00 0.31 N ATOM 1307 CA ASP A 87 8.907 -10.773 6.607 1.00 0.36 C ATOM 1308 C ASP A 87 7.820 -11.100 7.625 1.00 0.28 C ATOM 1309 O ASP A 87 7.364 -12.223 7.718 1.00 0.35 O ATOM 1310 CB ASP A 87 8.426 -11.174 5.207 1.00 0.58 C ATOM 1311 CG ASP A 87 9.237 -12.368 4.700 1.00 1.11 C ATOM 1312 OD1 ASP A 87 9.024 -13.458 5.203 1.00 2.14 O ATOM 1313 OD2 ASP A 87 10.056 -12.172 3.817 1.00 1.24 O ATOM 0 H ASP A 87 10.040 -12.556 6.901 1.00 0.31 H new ATOM 0 HA ASP A 87 9.127 -9.705 6.614 1.00 0.36 H new ATOM 0 HB2 ASP A 87 7.367 -11.429 5.236 1.00 0.58 H new ATOM 0 HB3 ASP A 87 8.533 -10.333 4.522 1.00 0.58 H new ATOM 1318 N ILE A 88 7.403 -10.141 8.398 1.00 0.19 N ATOM 1319 CA ILE A 88 6.355 -10.431 9.408 1.00 0.10 C ATOM 1320 C ILE A 88 5.023 -9.808 9.021 1.00 0.19 C ATOM 1321 O ILE A 88 4.858 -8.604 9.000 1.00 0.23 O ATOM 1322 CB ILE A 88 6.749 -9.876 10.771 1.00 0.11 C ATOM 1323 CG1 ILE A 88 5.505 -9.869 11.663 1.00 0.23 C ATOM 1324 CG2 ILE A 88 7.275 -8.446 10.635 1.00 0.24 C ATOM 1325 CD1 ILE A 88 5.917 -9.989 13.127 1.00 0.23 C ATOM 0 H ILE A 88 7.739 -9.178 8.375 1.00 0.19 H new ATOM 0 HA ILE A 88 6.256 -11.516 9.453 1.00 0.10 H new ATOM 0 HB ILE A 88 7.534 -10.496 11.203 1.00 0.11 H new ATOM 0 HG12 ILE A 88 4.941 -8.949 11.509 1.00 0.23 H new ATOM 0 HG13 ILE A 88 4.848 -10.695 11.392 1.00 0.23 H new ATOM 0 HG21 ILE A 88 7.552 -8.065 11.618 1.00 0.24 H new ATOM 0 HG22 ILE A 88 8.149 -8.440 9.984 1.00 0.24 H new ATOM 0 HG23 ILE A 88 6.499 -7.812 10.206 1.00 0.24 H new ATOM 0 HD11 ILE A 88 5.027 -9.983 13.757 1.00 0.23 H new ATOM 0 HD12 ILE A 88 6.462 -10.921 13.276 1.00 0.23 H new ATOM 0 HD13 ILE A 88 6.557 -9.148 13.395 1.00 0.23 H new ATOM 1337 N LYS A 89 4.052 -10.633 8.793 1.00 0.24 N ATOM 1338 CA LYS A 89 2.692 -10.123 8.495 1.00 0.32 C ATOM 1339 C LYS A 89 1.964 -10.181 9.829 1.00 0.20 C ATOM 1340 O LYS A 89 1.786 -11.243 10.391 1.00 0.34 O ATOM 1341 CB LYS A 89 2.002 -11.021 7.463 1.00 0.44 C ATOM 1342 CG LYS A 89 0.691 -10.375 7.012 1.00 0.50 C ATOM 1343 CD LYS A 89 -0.485 -11.277 7.395 1.00 1.40 C ATOM 1344 CE LYS A 89 -1.485 -10.487 8.243 1.00 2.48 C ATOM 1345 NZ LYS A 89 -2.289 -11.431 9.071 1.00 4.15 N ATOM 0 H LYS A 89 4.141 -11.649 8.800 1.00 0.24 H new ATOM 0 HA LYS A 89 2.704 -9.117 8.075 1.00 0.32 H new ATOM 0 HB2 LYS A 89 2.657 -11.175 6.605 1.00 0.44 H new ATOM 0 HB3 LYS A 89 1.805 -12.003 7.894 1.00 0.44 H new ATOM 0 HG2 LYS A 89 0.578 -9.396 7.477 1.00 0.50 H new ATOM 0 HG3 LYS A 89 0.704 -10.216 5.934 1.00 0.50 H new ATOM 0 HD2 LYS A 89 -0.974 -11.655 6.497 1.00 1.40 H new ATOM 0 HD3 LYS A 89 -0.126 -12.143 7.951 1.00 1.40 H new ATOM 0 HE2 LYS A 89 -0.957 -9.782 8.885 1.00 2.48 H new ATOM 0 HE3 LYS A 89 -2.141 -9.901 7.599 1.00 2.48 H new ATOM 0 HZ1 LYS A 89 -3.158 -10.958 9.392 1.00 4.15 H new ATOM 0 HZ2 LYS A 89 -2.539 -12.265 8.502 1.00 4.15 H new ATOM 0 HZ3 LYS A 89 -1.732 -11.730 9.897 1.00 4.15 H new ATOM 1359 N TYR A 90 1.617 -9.066 10.396 1.00 0.40 N ATOM 1360 CA TYR A 90 0.999 -9.123 11.745 1.00 0.37 C ATOM 1361 C TYR A 90 -0.284 -8.305 11.850 1.00 0.38 C ATOM 1362 O TYR A 90 -0.372 -7.184 11.390 1.00 0.46 O ATOM 1363 CB TYR A 90 2.012 -8.578 12.756 1.00 0.50 C ATOM 1364 CG TYR A 90 1.378 -8.574 14.108 1.00 0.52 C ATOM 1365 CD1 TYR A 90 0.583 -9.650 14.483 1.00 0.51 C ATOM 1366 CD2 TYR A 90 1.563 -7.492 14.974 1.00 0.60 C ATOM 1367 CE1 TYR A 90 -0.032 -9.659 15.728 1.00 0.58 C ATOM 1368 CE2 TYR A 90 0.940 -7.494 16.225 1.00 0.67 C ATOM 1369 CZ TYR A 90 0.143 -8.581 16.601 1.00 0.66 C ATOM 1370 OH TYR A 90 -0.480 -8.588 17.825 1.00 0.77 O ATOM 0 H TYR A 90 1.730 -8.135 9.995 1.00 0.40 H new ATOM 0 HA TYR A 90 0.735 -10.161 11.945 1.00 0.37 H new ATOM 0 HB2 TYR A 90 2.911 -9.194 12.761 1.00 0.50 H new ATOM 0 HB3 TYR A 90 2.319 -7.569 12.479 1.00 0.50 H new ATOM 0 HD1 TYR A 90 0.443 -10.480 13.806 1.00 0.51 H new ATOM 0 HD2 TYR A 90 2.184 -6.659 14.678 1.00 0.60 H new ATOM 0 HE1 TYR A 90 -0.645 -10.498 16.022 1.00 0.58 H new ATOM 0 HE2 TYR A 90 1.073 -6.660 16.899 1.00 0.67 H new ATOM 0 HH TYR A 90 -1.318 -9.092 17.762 1.00 0.77 H new ATOM 1380 N THR A 91 -1.260 -8.856 12.524 1.00 0.28 N ATOM 1381 CA THR A 91 -2.528 -8.124 12.757 1.00 0.25 C ATOM 1382 C THR A 91 -2.326 -7.359 14.063 1.00 0.28 C ATOM 1383 O THR A 91 -1.663 -7.834 14.960 1.00 0.89 O ATOM 1384 CB THR A 91 -3.688 -9.115 12.900 1.00 0.12 C ATOM 1385 OG1 THR A 91 -3.169 -10.409 13.174 1.00 0.09 O ATOM 1386 CG2 THR A 91 -4.502 -9.151 11.604 1.00 0.32 C ATOM 0 H THR A 91 -1.226 -9.793 12.925 1.00 0.28 H new ATOM 0 HA THR A 91 -2.769 -7.456 11.930 1.00 0.25 H new ATOM 0 HB THR A 91 -4.335 -8.800 13.719 1.00 0.12 H new ATOM 0 HG1 THR A 91 -3.909 -11.045 13.268 1.00 0.09 H new ATOM 0 HG21 THR A 91 -5.325 -9.857 11.711 1.00 0.32 H new ATOM 0 HG22 THR A 91 -4.900 -8.158 11.397 1.00 0.32 H new ATOM 0 HG23 THR A 91 -3.861 -9.464 10.780 1.00 0.32 H new ATOM 1394 N TRP A 92 -2.825 -6.171 14.172 1.00 0.74 N ATOM 1395 CA TRP A 92 -2.572 -5.392 15.416 1.00 0.63 C ATOM 1396 C TRP A 92 -3.885 -4.964 16.061 1.00 0.53 C ATOM 1397 O TRP A 92 -4.402 -3.897 15.798 1.00 0.50 O ATOM 1398 CB TRP A 92 -1.745 -4.173 15.018 1.00 0.68 C ATOM 1399 CG TRP A 92 -1.286 -3.401 16.209 1.00 0.52 C ATOM 1400 CD1 TRP A 92 -0.526 -3.890 17.215 1.00 0.52 C ATOM 1401 CD2 TRP A 92 -1.515 -1.996 16.514 1.00 0.40 C ATOM 1402 NE1 TRP A 92 -0.268 -2.867 18.112 1.00 0.47 N ATOM 1403 CE2 TRP A 92 -0.856 -1.686 17.720 1.00 0.37 C ATOM 1404 CE3 TRP A 92 -2.225 -0.968 15.867 1.00 0.39 C ATOM 1405 CZ2 TRP A 92 -0.888 -0.405 18.260 1.00 0.34 C ATOM 1406 CZ3 TRP A 92 -2.262 0.323 16.418 1.00 0.25 C ATOM 1407 CH2 TRP A 92 -1.592 0.603 17.611 1.00 0.22 C ATOM 0 H TRP A 92 -3.392 -5.703 13.465 1.00 0.74 H new ATOM 0 HA TRP A 92 -2.039 -5.998 16.149 1.00 0.63 H new ATOM 0 HB2 TRP A 92 -0.880 -4.495 14.438 1.00 0.68 H new ATOM 0 HB3 TRP A 92 -2.339 -3.526 14.372 1.00 0.68 H new ATOM 0 HD1 TRP A 92 -0.178 -4.909 17.304 1.00 0.52 H new ATOM 0 HE1 TRP A 92 0.289 -2.975 18.959 1.00 0.47 H new ATOM 0 HE3 TRP A 92 -2.744 -1.173 14.942 1.00 0.39 H new ATOM 0 HZ2 TRP A 92 -0.367 -0.193 19.182 1.00 0.34 H new ATOM 0 HZ3 TRP A 92 -2.812 1.105 15.916 1.00 0.25 H new ATOM 0 HH2 TRP A 92 -1.621 1.599 18.028 1.00 0.22 H new ATOM 1418 N ASN A 93 -4.426 -5.787 16.917 1.00 0.50 N ATOM 1419 CA ASN A 93 -5.699 -5.418 17.580 1.00 0.43 C ATOM 1420 C ASN A 93 -5.476 -4.136 18.374 1.00 0.27 C ATOM 1421 O ASN A 93 -4.888 -4.141 19.437 1.00 0.26 O ATOM 1422 CB ASN A 93 -6.133 -6.545 18.523 1.00 0.42 C ATOM 1423 CG ASN A 93 -6.713 -7.700 17.704 1.00 1.05 C ATOM 1424 OD1 ASN A 93 -6.313 -8.836 17.866 1.00 2.76 O ATOM 1425 ND2 ASN A 93 -7.641 -7.454 16.820 1.00 2.31 N ATOM 0 H ASN A 93 -4.041 -6.693 17.182 1.00 0.50 H new ATOM 0 HA ASN A 93 -6.480 -5.263 16.835 1.00 0.43 H new ATOM 0 HB2 ASN A 93 -5.282 -6.892 19.109 1.00 0.42 H new ATOM 0 HB3 ASN A 93 -6.877 -6.176 19.229 1.00 0.42 H new ATOM 0 HD21 ASN A 93 -8.031 -8.215 16.265 1.00 2.31 H new ATOM 0 HD22 ASN A 93 -7.976 -6.500 16.685 1.00 2.31 H new ATOM 1432 N VAL A 94 -5.942 -3.036 17.860 1.00 0.21 N ATOM 1433 CA VAL A 94 -5.763 -1.742 18.570 1.00 0.20 C ATOM 1434 C VAL A 94 -6.499 -1.808 19.908 1.00 0.27 C ATOM 1435 O VAL A 94 -7.570 -2.373 19.992 1.00 0.33 O ATOM 1436 CB VAL A 94 -6.356 -0.621 17.710 1.00 0.30 C ATOM 1437 CG1 VAL A 94 -6.083 0.737 18.356 1.00 0.38 C ATOM 1438 CG2 VAL A 94 -5.719 -0.660 16.320 1.00 0.29 C ATOM 0 H VAL A 94 -6.442 -2.977 16.973 1.00 0.21 H new ATOM 0 HA VAL A 94 -4.705 -1.547 18.745 1.00 0.20 H new ATOM 0 HB VAL A 94 -7.433 -0.765 17.628 1.00 0.30 H new ATOM 0 HG11 VAL A 94 -6.509 1.527 17.737 1.00 0.38 H new ATOM 0 HG12 VAL A 94 -6.538 0.767 19.346 1.00 0.38 H new ATOM 0 HG13 VAL A 94 -5.007 0.887 18.447 1.00 0.38 H new ATOM 0 HG21 VAL A 94 -6.138 0.136 15.705 1.00 0.29 H new ATOM 0 HG22 VAL A 94 -4.642 -0.520 16.409 1.00 0.29 H new ATOM 0 HG23 VAL A 94 -5.922 -1.624 15.854 1.00 0.29 H new ATOM 1448 N PRO A 95 -5.912 -1.219 20.915 1.00 0.29 N ATOM 1449 CA PRO A 95 -6.513 -1.196 22.254 1.00 0.35 C ATOM 1450 C PRO A 95 -7.725 -0.266 22.250 1.00 0.39 C ATOM 1451 O PRO A 95 -7.655 0.866 21.814 1.00 0.55 O ATOM 1452 CB PRO A 95 -5.384 -0.687 23.157 1.00 0.36 C ATOM 1453 CG PRO A 95 -4.389 0.049 22.232 1.00 0.37 C ATOM 1454 CD PRO A 95 -4.612 -0.519 20.817 1.00 0.32 C ATOM 0 HA PRO A 95 -6.882 -2.164 22.595 1.00 0.35 H new ATOM 0 HB2 PRO A 95 -5.772 -0.016 23.924 1.00 0.36 H new ATOM 0 HB3 PRO A 95 -4.896 -1.514 23.674 1.00 0.36 H new ATOM 0 HG2 PRO A 95 -4.563 1.125 22.251 1.00 0.37 H new ATOM 0 HG3 PRO A 95 -3.362 -0.113 22.559 1.00 0.37 H new ATOM 0 HD2 PRO A 95 -4.640 0.273 20.069 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -3.812 -1.201 20.530 1.00 0.32 H new ATOM 1462 N LYS A 96 -8.847 -0.754 22.703 1.00 0.23 N ATOM 1463 CA LYS A 96 -10.085 0.074 22.700 1.00 0.24 C ATOM 1464 C LYS A 96 -9.985 1.216 23.717 1.00 0.19 C ATOM 1465 O LYS A 96 -10.918 1.972 23.894 1.00 0.18 O ATOM 1466 CB LYS A 96 -11.284 -0.813 23.037 1.00 0.22 C ATOM 1467 CG LYS A 96 -12.256 -0.821 21.857 1.00 1.73 C ATOM 1468 CD LYS A 96 -12.970 0.519 21.776 1.00 2.96 C ATOM 1469 CE LYS A 96 -14.429 0.348 22.202 1.00 2.57 C ATOM 1470 NZ LYS A 96 -14.484 -0.095 23.623 1.00 3.61 N ATOM 0 H LYS A 96 -8.959 -1.696 23.077 1.00 0.23 H new ATOM 0 HA LYS A 96 -10.211 0.511 21.709 1.00 0.24 H new ATOM 0 HB2 LYS A 96 -10.950 -1.828 23.255 1.00 0.22 H new ATOM 0 HB3 LYS A 96 -11.784 -0.443 23.932 1.00 0.22 H new ATOM 0 HG2 LYS A 96 -11.717 -1.014 20.930 1.00 1.73 H new ATOM 0 HG3 LYS A 96 -12.982 -1.625 21.976 1.00 1.73 H new ATOM 0 HD2 LYS A 96 -12.475 1.246 22.420 1.00 2.96 H new ATOM 0 HD3 LYS A 96 -12.920 0.908 20.759 1.00 2.96 H new ATOM 0 HE2 LYS A 96 -14.966 1.289 22.082 1.00 2.57 H new ATOM 0 HE3 LYS A 96 -14.922 -0.384 21.563 1.00 2.57 H new ATOM 0 HZ1 LYS A 96 -15.460 -0.016 23.974 1.00 3.61 H new ATOM 0 HZ2 LYS A 96 -14.171 -1.084 23.691 1.00 3.61 H new ATOM 0 HZ3 LYS A 96 -13.860 0.506 24.198 1.00 3.61 H new ATOM 1484 N ILE A 97 -8.869 1.366 24.381 1.00 0.18 N ATOM 1485 CA ILE A 97 -8.745 2.471 25.362 1.00 0.14 C ATOM 1486 C ILE A 97 -8.217 3.708 24.646 1.00 0.14 C ATOM 1487 O ILE A 97 -8.451 4.828 25.055 1.00 0.13 O ATOM 1488 CB ILE A 97 -7.754 2.066 26.450 1.00 0.20 C ATOM 1489 CG1 ILE A 97 -6.317 2.168 25.918 1.00 0.25 C ATOM 1490 CG2 ILE A 97 -8.033 0.628 26.894 1.00 0.24 C ATOM 1491 CD1 ILE A 97 -5.337 1.993 27.079 1.00 0.42 C ATOM 0 H ILE A 97 -8.045 0.772 24.284 1.00 0.18 H new ATOM 0 HA ILE A 97 -9.717 2.683 25.808 1.00 0.14 H new ATOM 0 HB ILE A 97 -7.869 2.738 27.300 1.00 0.20 H new ATOM 0 HG12 ILE A 97 -6.142 1.404 25.160 1.00 0.25 H new ATOM 0 HG13 ILE A 97 -6.162 3.134 25.438 1.00 0.25 H new ATOM 0 HG21 ILE A 97 -7.323 0.343 27.671 1.00 0.24 H new ATOM 0 HG22 ILE A 97 -9.048 0.559 27.286 1.00 0.24 H new ATOM 0 HG23 ILE A 97 -7.927 -0.043 26.042 1.00 0.24 H new ATOM 0 HD11 ILE A 97 -4.315 2.065 26.707 1.00 0.42 H new ATOM 0 HD12 ILE A 97 -5.508 2.773 27.821 1.00 0.42 H new ATOM 0 HD13 ILE A 97 -5.488 1.016 27.539 1.00 0.42 H new ATOM 1503 N ALA A 98 -7.500 3.499 23.578 1.00 0.14 N ATOM 1504 CA ALA A 98 -6.934 4.638 22.809 1.00 0.13 C ATOM 1505 C ALA A 98 -7.962 5.776 22.752 1.00 0.12 C ATOM 1506 O ALA A 98 -9.030 5.617 22.196 1.00 0.10 O ATOM 1507 CB ALA A 98 -6.597 4.187 21.390 1.00 0.12 C ATOM 0 H ALA A 98 -7.280 2.577 23.202 1.00 0.14 H new ATOM 0 HA ALA A 98 -6.026 4.988 23.300 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -6.182 5.026 20.830 1.00 0.12 H new ATOM 0 HB2 ALA A 98 -5.866 3.380 21.429 1.00 0.12 H new ATOM 0 HB3 ALA A 98 -7.502 3.833 20.896 1.00 0.12 H new ATOM 1513 N PRO A 99 -7.603 6.885 23.337 1.00 0.13 N ATOM 1514 CA PRO A 99 -8.457 8.078 23.394 1.00 0.14 C ATOM 1515 C PRO A 99 -8.261 8.894 22.122 1.00 0.11 C ATOM 1516 O PRO A 99 -7.152 9.057 21.660 1.00 0.13 O ATOM 1517 CB PRO A 99 -7.914 8.838 24.606 1.00 0.16 C ATOM 1518 CG PRO A 99 -6.457 8.351 24.813 1.00 0.18 C ATOM 1519 CD PRO A 99 -6.302 7.053 24.000 1.00 0.17 C ATOM 0 HA PRO A 99 -9.522 7.858 23.475 1.00 0.14 H new ATOM 0 HB2 PRO A 99 -7.943 9.914 24.434 1.00 0.16 H new ATOM 0 HB3 PRO A 99 -8.519 8.640 25.491 1.00 0.16 H new ATOM 0 HG2 PRO A 99 -5.746 9.105 24.476 1.00 0.18 H new ATOM 0 HG3 PRO A 99 -6.256 8.172 25.869 1.00 0.18 H new ATOM 0 HD2 PRO A 99 -5.493 7.132 23.274 1.00 0.17 H new ATOM 0 HD3 PRO A 99 -6.071 6.205 24.644 1.00 0.17 H new ATOM 1527 N LYS A 100 -9.311 9.409 21.546 1.00 0.10 N ATOM 1528 CA LYS A 100 -9.138 10.209 20.305 1.00 0.08 C ATOM 1529 C LYS A 100 -8.130 11.322 20.576 1.00 0.18 C ATOM 1530 O LYS A 100 -8.473 12.401 21.016 1.00 0.28 O ATOM 1531 CB LYS A 100 -10.478 10.801 19.878 1.00 0.24 C ATOM 1532 CG LYS A 100 -11.075 9.914 18.791 1.00 1.31 C ATOM 1533 CD LYS A 100 -11.814 10.779 17.773 1.00 1.33 C ATOM 1534 CE LYS A 100 -13.311 10.513 17.892 1.00 1.54 C ATOM 1535 NZ LYS A 100 -14.048 11.372 16.927 1.00 1.39 N ATOM 0 H LYS A 100 -10.271 9.312 21.877 1.00 0.10 H new ATOM 0 HA LYS A 100 -8.771 9.572 19.500 1.00 0.08 H new ATOM 0 HB2 LYS A 100 -11.154 10.862 20.731 1.00 0.24 H new ATOM 0 HB3 LYS A 100 -10.342 11.816 19.506 1.00 0.24 H new ATOM 0 HG2 LYS A 100 -10.286 9.346 18.297 1.00 1.31 H new ATOM 0 HG3 LYS A 100 -11.759 9.190 19.233 1.00 1.31 H new ATOM 0 HD2 LYS A 100 -11.603 11.834 17.951 1.00 1.33 H new ATOM 0 HD3 LYS A 100 -11.470 10.551 16.764 1.00 1.33 H new ATOM 0 HE2 LYS A 100 -13.521 9.462 17.693 1.00 1.54 H new ATOM 0 HE3 LYS A 100 -13.648 10.718 18.908 1.00 1.54 H new ATOM 0 HZ1 LYS A 100 -15.069 11.190 17.009 1.00 1.39 H new ATOM 0 HZ2 LYS A 100 -13.857 12.373 17.137 1.00 1.39 H new ATOM 0 HZ3 LYS A 100 -13.734 11.155 15.959 1.00 1.39 H new ATOM 1549 N SER A 101 -6.882 11.052 20.331 1.00 0.26 N ATOM 1550 CA SER A 101 -5.833 12.068 20.586 1.00 0.40 C ATOM 1551 C SER A 101 -5.469 12.771 19.274 1.00 0.33 C ATOM 1552 O SER A 101 -5.200 12.138 18.274 1.00 0.31 O ATOM 1553 CB SER A 101 -4.607 11.367 21.164 1.00 0.58 C ATOM 1554 OG SER A 101 -4.007 12.203 22.143 1.00 0.87 O ATOM 0 H SER A 101 -6.542 10.164 19.962 1.00 0.26 H new ATOM 0 HA SER A 101 -6.196 12.814 21.293 1.00 0.40 H new ATOM 0 HB2 SER A 101 -4.894 10.415 21.609 1.00 0.58 H new ATOM 0 HB3 SER A 101 -3.893 11.146 20.371 1.00 0.58 H new ATOM 0 HG SER A 101 -3.865 13.097 21.767 1.00 0.87 H new ATOM 1560 N GLU A 102 -5.472 14.078 19.274 1.00 0.31 N ATOM 1561 CA GLU A 102 -5.141 14.838 18.032 1.00 0.30 C ATOM 1562 C GLU A 102 -4.000 14.157 17.272 1.00 0.22 C ATOM 1563 O GLU A 102 -4.079 13.964 16.078 1.00 0.23 O ATOM 1564 CB GLU A 102 -4.723 16.264 18.405 1.00 0.33 C ATOM 1565 CG GLU A 102 -3.387 16.227 19.149 1.00 0.30 C ATOM 1566 CD GLU A 102 -3.070 17.617 19.704 1.00 0.36 C ATOM 1567 OE1 GLU A 102 -3.987 18.272 20.171 1.00 0.61 O ATOM 1568 OE2 GLU A 102 -1.913 18.003 19.654 1.00 1.18 O ATOM 0 H GLU A 102 -5.691 14.655 20.086 1.00 0.31 H new ATOM 0 HA GLU A 102 -6.023 14.864 17.391 1.00 0.30 H new ATOM 0 HB2 GLU A 102 -4.634 16.875 17.507 1.00 0.33 H new ATOM 0 HB3 GLU A 102 -5.487 16.726 19.030 1.00 0.33 H new ATOM 0 HG2 GLU A 102 -3.432 15.502 19.961 1.00 0.30 H new ATOM 0 HG3 GLU A 102 -2.593 15.903 18.476 1.00 0.30 H new ATOM 1575 N ASN A 103 -2.936 13.804 17.941 1.00 0.17 N ATOM 1576 CA ASN A 103 -1.801 13.151 17.229 1.00 0.14 C ATOM 1577 C ASN A 103 -1.329 11.916 17.995 1.00 0.13 C ATOM 1578 O ASN A 103 -1.345 11.871 19.210 1.00 0.27 O ATOM 1579 CB ASN A 103 -0.641 14.139 17.107 1.00 0.13 C ATOM 1580 CG ASN A 103 -0.770 14.918 15.797 1.00 0.91 C ATOM 1581 OD1 ASN A 103 -0.883 16.128 15.804 1.00 1.56 O ATOM 1582 ND2 ASN A 103 -0.763 14.270 14.664 1.00 1.82 N ATOM 0 H ASN A 103 -2.804 13.938 18.943 1.00 0.17 H new ATOM 0 HA ASN A 103 -2.138 12.847 16.238 1.00 0.14 H new ATOM 0 HB2 ASN A 103 -0.644 14.826 17.953 1.00 0.13 H new ATOM 0 HB3 ASN A 103 0.309 13.606 17.133 1.00 0.13 H new ATOM 0 HD21 ASN A 103 -0.852 14.779 13.785 1.00 1.82 H new ATOM 0 HD22 ASN A 103 -0.668 13.254 14.658 1.00 1.82 H new ATOM 1589 N VAL A 104 -0.901 10.917 17.279 1.00 0.16 N ATOM 1590 CA VAL A 104 -0.409 9.672 17.918 1.00 0.11 C ATOM 1591 C VAL A 104 0.878 9.235 17.218 1.00 0.17 C ATOM 1592 O VAL A 104 1.057 9.461 16.038 1.00 0.22 O ATOM 1593 CB VAL A 104 -1.465 8.582 17.779 1.00 0.13 C ATOM 1594 CG1 VAL A 104 -0.908 7.264 18.320 1.00 0.43 C ATOM 1595 CG2 VAL A 104 -2.706 8.984 18.581 1.00 0.59 C ATOM 0 H VAL A 104 -0.872 10.913 16.259 1.00 0.16 H new ATOM 0 HA VAL A 104 -0.212 9.847 18.976 1.00 0.11 H new ATOM 0 HB VAL A 104 -1.732 8.456 16.730 1.00 0.13 H new ATOM 0 HG11 VAL A 104 -1.662 6.483 18.222 1.00 0.43 H new ATOM 0 HG12 VAL A 104 -0.020 6.985 17.754 1.00 0.43 H new ATOM 0 HG13 VAL A 104 -0.645 7.384 19.371 1.00 0.43 H new ATOM 0 HG21 VAL A 104 -3.467 8.209 18.487 1.00 0.59 H new ATOM 0 HG22 VAL A 104 -2.438 9.104 19.631 1.00 0.59 H new ATOM 0 HG23 VAL A 104 -3.098 9.926 18.197 1.00 0.59 H new ATOM 1605 N VAL A 105 1.769 8.602 17.924 1.00 0.17 N ATOM 1606 CA VAL A 105 3.029 8.141 17.286 1.00 0.22 C ATOM 1607 C VAL A 105 3.118 6.629 17.455 1.00 0.17 C ATOM 1608 O VAL A 105 3.155 6.117 18.553 1.00 0.12 O ATOM 1609 CB VAL A 105 4.223 8.813 17.968 1.00 0.27 C ATOM 1610 CG1 VAL A 105 5.525 8.272 17.376 1.00 0.28 C ATOM 1611 CG2 VAL A 105 4.154 10.325 17.740 1.00 0.47 C ATOM 0 H VAL A 105 1.679 8.384 18.916 1.00 0.17 H new ATOM 0 HA VAL A 105 3.039 8.402 16.228 1.00 0.22 H new ATOM 0 HB VAL A 105 4.194 8.601 19.037 1.00 0.27 H new ATOM 0 HG11 VAL A 105 6.373 8.752 17.863 1.00 0.28 H new ATOM 0 HG12 VAL A 105 5.577 7.195 17.535 1.00 0.28 H new ATOM 0 HG13 VAL A 105 5.554 8.483 16.307 1.00 0.28 H new ATOM 0 HG21 VAL A 105 5.004 10.805 18.225 1.00 0.47 H new ATOM 0 HG22 VAL A 105 4.181 10.533 16.670 1.00 0.47 H new ATOM 0 HG23 VAL A 105 3.228 10.715 18.162 1.00 0.47 H new ATOM 1621 N VAL A 106 3.129 5.901 16.384 1.00 0.29 N ATOM 1622 CA VAL A 106 3.185 4.425 16.515 1.00 0.35 C ATOM 1623 C VAL A 106 4.621 3.938 16.322 1.00 0.35 C ATOM 1624 O VAL A 106 5.355 4.435 15.492 1.00 0.34 O ATOM 1625 CB VAL A 106 2.261 3.795 15.478 1.00 0.46 C ATOM 1626 CG1 VAL A 106 2.006 2.332 15.846 1.00 0.56 C ATOM 1627 CG2 VAL A 106 0.934 4.563 15.466 1.00 0.38 C ATOM 0 H VAL A 106 3.102 6.258 15.429 1.00 0.29 H new ATOM 0 HA VAL A 106 2.855 4.131 17.512 1.00 0.35 H new ATOM 0 HB VAL A 106 2.722 3.841 14.491 1.00 0.46 H new ATOM 0 HG11 VAL A 106 1.346 1.880 15.106 1.00 0.56 H new ATOM 0 HG12 VAL A 106 2.952 1.792 15.866 1.00 0.56 H new ATOM 0 HG13 VAL A 106 1.538 2.280 16.829 1.00 0.56 H new ATOM 0 HG21 VAL A 106 0.265 4.121 14.728 1.00 0.38 H new ATOM 0 HG22 VAL A 106 0.473 4.508 16.452 1.00 0.38 H new ATOM 0 HG23 VAL A 106 1.120 5.606 15.209 1.00 0.38 H new ATOM 1637 N THR A 107 5.025 2.975 17.106 1.00 0.41 N ATOM 1638 CA THR A 107 6.413 2.447 17.007 1.00 0.44 C ATOM 1639 C THR A 107 6.376 0.932 16.832 1.00 0.46 C ATOM 1640 O THR A 107 5.924 0.220 17.698 1.00 0.50 O ATOM 1641 CB THR A 107 7.148 2.745 18.314 1.00 0.45 C ATOM 1642 OG1 THR A 107 7.021 4.125 18.628 1.00 0.42 O ATOM 1643 CG2 THR A 107 8.626 2.379 18.166 1.00 0.49 C ATOM 0 H THR A 107 4.446 2.528 17.817 1.00 0.41 H new ATOM 0 HA THR A 107 6.914 2.913 16.159 1.00 0.44 H new ATOM 0 HB THR A 107 6.712 2.153 19.119 1.00 0.45 H new ATOM 0 HG1 THR A 107 7.491 4.314 19.467 1.00 0.42 H new ATOM 0 HG21 THR A 107 9.149 2.592 19.098 1.00 0.49 H new ATOM 0 HG22 THR A 107 8.717 1.318 17.933 1.00 0.49 H new ATOM 0 HG23 THR A 107 9.067 2.966 17.360 1.00 0.49 H new ATOM 1651 N VAL A 108 6.883 0.421 15.752 1.00 0.45 N ATOM 1652 CA VAL A 108 6.895 -1.056 15.588 1.00 0.46 C ATOM 1653 C VAL A 108 8.268 -1.546 16.022 1.00 0.47 C ATOM 1654 O VAL A 108 9.275 -1.055 15.565 1.00 0.48 O ATOM 1655 CB VAL A 108 6.656 -1.420 14.128 1.00 0.45 C ATOM 1656 CG1 VAL A 108 7.974 -1.876 13.495 1.00 0.47 C ATOM 1657 CG2 VAL A 108 5.625 -2.550 14.058 1.00 0.47 C ATOM 0 H VAL A 108 7.286 0.954 14.981 1.00 0.45 H new ATOM 0 HA VAL A 108 6.110 -1.517 16.187 1.00 0.46 H new ATOM 0 HB VAL A 108 6.281 -0.553 13.584 1.00 0.45 H new ATOM 0 HG11 VAL A 108 7.805 -2.137 12.450 1.00 0.47 H new ATOM 0 HG12 VAL A 108 8.704 -1.069 13.554 1.00 0.47 H new ATOM 0 HG13 VAL A 108 8.352 -2.747 14.030 1.00 0.47 H new ATOM 0 HG21 VAL A 108 5.448 -2.817 13.016 1.00 0.47 H new ATOM 0 HG22 VAL A 108 6.001 -3.420 14.596 1.00 0.47 H new ATOM 0 HG23 VAL A 108 4.691 -2.219 14.512 1.00 0.47 H new ATOM 1667 N LYS A 109 8.336 -2.471 16.926 1.00 0.47 N ATOM 1668 CA LYS A 109 9.676 -2.909 17.392 1.00 0.48 C ATOM 1669 C LYS A 109 9.776 -4.430 17.451 1.00 0.51 C ATOM 1670 O LYS A 109 8.812 -5.128 17.681 1.00 0.91 O ATOM 1671 CB LYS A 109 9.905 -2.323 18.785 1.00 0.51 C ATOM 1672 CG LYS A 109 11.378 -1.963 18.961 1.00 0.49 C ATOM 1673 CD LYS A 109 11.809 -2.249 20.404 1.00 0.50 C ATOM 1674 CE LYS A 109 10.745 -1.721 21.369 1.00 0.73 C ATOM 1675 NZ LYS A 109 10.657 -0.238 21.244 1.00 1.12 N ATOM 0 H LYS A 109 7.539 -2.938 17.358 1.00 0.47 H new ATOM 0 HA LYS A 109 10.433 -2.558 16.691 1.00 0.48 H new ATOM 0 HB2 LYS A 109 9.286 -1.436 18.922 1.00 0.51 H new ATOM 0 HB3 LYS A 109 9.604 -3.043 19.546 1.00 0.51 H new ATOM 0 HG2 LYS A 109 11.989 -2.540 18.267 1.00 0.49 H new ATOM 0 HG3 LYS A 109 11.536 -0.911 18.725 1.00 0.49 H new ATOM 0 HD2 LYS A 109 11.946 -3.321 20.548 1.00 0.50 H new ATOM 0 HD3 LYS A 109 12.769 -1.774 20.609 1.00 0.50 H new ATOM 0 HE2 LYS A 109 9.779 -2.174 21.146 1.00 0.73 H new ATOM 0 HE3 LYS A 109 10.998 -1.997 22.393 1.00 0.73 H new ATOM 0 HZ1 LYS A 109 10.273 0.162 22.124 1.00 1.12 H new ATOM 0 HZ2 LYS A 109 11.605 0.153 21.071 1.00 1.12 H new ATOM 0 HZ3 LYS A 109 10.032 0.007 20.450 1.00 1.12 H new ATOM 1689 N LEU A 110 10.962 -4.932 17.263 1.00 0.26 N ATOM 1690 CA LEU A 110 11.198 -6.398 17.326 1.00 0.24 C ATOM 1691 C LEU A 110 12.382 -6.623 18.261 1.00 0.17 C ATOM 1692 O LEU A 110 13.351 -5.894 18.214 1.00 0.15 O ATOM 1693 CB LEU A 110 11.541 -6.938 15.935 1.00 0.26 C ATOM 1694 CG LEU A 110 10.290 -6.960 15.054 1.00 0.33 C ATOM 1695 CD1 LEU A 110 10.552 -7.842 13.832 1.00 0.35 C ATOM 1696 CD2 LEU A 110 9.106 -7.526 15.844 1.00 0.34 C ATOM 0 H LEU A 110 11.794 -4.376 17.064 1.00 0.26 H new ATOM 0 HA LEU A 110 10.307 -6.913 17.684 1.00 0.24 H new ATOM 0 HB2 LEU A 110 12.308 -6.316 15.474 1.00 0.26 H new ATOM 0 HB3 LEU A 110 11.954 -7.943 16.019 1.00 0.26 H new ATOM 0 HG LEU A 110 10.055 -5.945 14.735 1.00 0.33 H new ATOM 0 HD11 LEU A 110 9.664 -7.862 13.200 1.00 0.35 H new ATOM 0 HD12 LEU A 110 11.391 -7.439 13.266 1.00 0.35 H new ATOM 0 HD13 LEU A 110 10.788 -8.855 14.158 1.00 0.35 H new ATOM 0 HD21 LEU A 110 8.219 -7.539 15.211 1.00 0.34 H new ATOM 0 HD22 LEU A 110 9.336 -8.541 16.167 1.00 0.34 H new ATOM 0 HD23 LEU A 110 8.919 -6.901 16.717 1.00 0.34 H new ATOM 1708 N ILE A 111 12.318 -7.592 19.125 1.00 0.14 N ATOM 1709 CA ILE A 111 13.448 -7.807 20.055 1.00 0.05 C ATOM 1710 C ILE A 111 13.796 -9.293 20.128 1.00 0.11 C ATOM 1711 O ILE A 111 13.002 -10.110 20.552 1.00 0.20 O ATOM 1712 CB ILE A 111 13.051 -7.315 21.437 1.00 0.13 C ATOM 1713 CG1 ILE A 111 12.858 -5.799 21.409 1.00 0.14 C ATOM 1714 CG2 ILE A 111 14.154 -7.673 22.411 1.00 0.18 C ATOM 1715 CD1 ILE A 111 11.401 -5.487 21.085 1.00 0.32 C ATOM 0 H ILE A 111 11.536 -8.239 19.225 1.00 0.14 H new ATOM 0 HA ILE A 111 14.318 -7.257 19.697 1.00 0.05 H new ATOM 0 HB ILE A 111 12.116 -7.783 21.745 1.00 0.13 H new ATOM 0 HG12 ILE A 111 13.130 -5.368 22.372 1.00 0.14 H new ATOM 0 HG13 ILE A 111 13.514 -5.350 20.663 1.00 0.14 H new ATOM 0 HG21 ILE A 111 13.885 -7.327 23.409 1.00 0.18 H new ATOM 0 HG22 ILE A 111 14.289 -8.755 22.426 1.00 0.18 H new ATOM 0 HG23 ILE A 111 15.083 -7.196 22.100 1.00 0.18 H new ATOM 0 HD11 ILE A 111 11.256 -4.407 21.063 1.00 0.32 H new ATOM 0 HD12 ILE A 111 11.147 -5.907 20.112 1.00 0.32 H new ATOM 0 HD13 ILE A 111 10.757 -5.924 21.848 1.00 0.32 H new ATOM 1727 N GLY A 112 14.985 -9.648 19.731 1.00 0.06 N ATOM 1728 CA GLY A 112 15.398 -11.076 19.787 1.00 0.12 C ATOM 1729 C GLY A 112 15.973 -11.374 21.172 1.00 0.16 C ATOM 1730 O GLY A 112 15.308 -11.226 22.178 1.00 0.11 O ATOM 0 H GLY A 112 15.691 -9.007 19.369 1.00 0.06 H new ATOM 0 HA2 GLY A 112 14.544 -11.723 19.587 1.00 0.12 H new ATOM 0 HA3 GLY A 112 16.142 -11.283 19.018 1.00 0.12 H new ATOM 1734 N ASP A 113 17.207 -11.788 21.230 1.00 0.30 N ATOM 1735 CA ASP A 113 17.830 -12.090 22.549 1.00 0.37 C ATOM 1736 C ASP A 113 19.099 -11.253 22.715 1.00 0.38 C ATOM 1737 O ASP A 113 19.731 -11.269 23.752 1.00 0.48 O ATOM 1738 CB ASP A 113 18.192 -13.574 22.616 1.00 0.42 C ATOM 1739 CG ASP A 113 18.408 -13.980 24.075 1.00 1.54 C ATOM 1740 OD1 ASP A 113 18.363 -13.105 24.926 1.00 1.63 O ATOM 1741 OD2 ASP A 113 18.616 -15.156 24.316 1.00 2.64 O ATOM 0 H ASP A 113 17.812 -11.931 20.421 1.00 0.30 H new ATOM 0 HA ASP A 113 17.126 -11.850 23.345 1.00 0.37 H new ATOM 0 HB2 ASP A 113 17.396 -14.174 22.174 1.00 0.42 H new ATOM 0 HB3 ASP A 113 19.095 -13.766 22.036 1.00 0.42 H new ATOM 1746 N ASN A 114 19.481 -10.525 21.700 1.00 0.30 N ATOM 1747 CA ASN A 114 20.715 -9.695 21.804 1.00 0.33 C ATOM 1748 C ASN A 114 20.357 -8.208 21.733 1.00 0.34 C ATOM 1749 O ASN A 114 21.200 -7.351 21.906 1.00 0.37 O ATOM 1750 CB ASN A 114 21.660 -10.042 20.655 1.00 0.27 C ATOM 1751 CG ASN A 114 22.674 -8.912 20.473 1.00 2.23 C ATOM 1752 OD1 ASN A 114 23.597 -8.778 21.252 1.00 1.93 O ATOM 1753 ND2 ASN A 114 22.537 -8.082 19.474 1.00 4.31 N ATOM 0 H ASN A 114 18.993 -10.469 20.806 1.00 0.30 H new ATOM 0 HA ASN A 114 21.201 -9.901 22.758 1.00 0.33 H new ATOM 0 HB2 ASN A 114 22.176 -10.979 20.864 1.00 0.27 H new ATOM 0 HB3 ASN A 114 21.094 -10.189 19.735 1.00 0.27 H new ATOM 0 HD21 ASN A 114 23.205 -7.321 19.348 1.00 4.31 H new ATOM 0 HD22 ASN A 114 21.762 -8.194 18.820 1.00 4.31 H new ATOM 1760 N GLY A 115 19.117 -7.893 21.482 1.00 0.36 N ATOM 1761 CA GLY A 115 18.716 -6.459 21.405 1.00 0.44 C ATOM 1762 C GLY A 115 17.441 -6.324 20.572 1.00 0.35 C ATOM 1763 O GLY A 115 16.730 -7.283 20.351 1.00 0.43 O ATOM 0 H GLY A 115 18.365 -8.564 21.327 1.00 0.36 H new ATOM 0 HA2 GLY A 115 18.551 -6.063 22.407 1.00 0.44 H new ATOM 0 HA3 GLY A 115 19.518 -5.871 20.958 1.00 0.44 H new ATOM 1767 N VAL A 116 17.144 -5.140 20.111 1.00 0.31 N ATOM 1768 CA VAL A 116 15.912 -4.950 19.296 1.00 0.27 C ATOM 1769 C VAL A 116 16.190 -5.333 17.846 1.00 0.29 C ATOM 1770 O VAL A 116 16.901 -4.649 17.137 1.00 0.39 O ATOM 1771 CB VAL A 116 15.485 -3.486 19.349 1.00 0.36 C ATOM 1772 CG1 VAL A 116 14.043 -3.376 18.867 1.00 0.41 C ATOM 1773 CG2 VAL A 116 15.585 -2.975 20.788 1.00 0.53 C ATOM 0 H VAL A 116 17.700 -4.298 20.263 1.00 0.31 H new ATOM 0 HA VAL A 116 15.119 -5.581 19.697 1.00 0.27 H new ATOM 0 HB VAL A 116 16.135 -2.887 18.711 1.00 0.36 H new ATOM 0 HG11 VAL A 116 13.727 -2.333 18.901 1.00 0.41 H new ATOM 0 HG12 VAL A 116 13.972 -3.744 17.843 1.00 0.41 H new ATOM 0 HG13 VAL A 116 13.397 -3.972 19.512 1.00 0.41 H new ATOM 0 HG21 VAL A 116 15.280 -1.929 20.825 1.00 0.53 H new ATOM 0 HG22 VAL A 116 14.932 -3.566 21.430 1.00 0.53 H new ATOM 0 HG23 VAL A 116 16.614 -3.065 21.135 1.00 0.53 H new ATOM 1783 N LEU A 117 15.637 -6.424 17.399 1.00 0.20 N ATOM 1784 CA LEU A 117 15.870 -6.856 15.990 1.00 0.21 C ATOM 1785 C LEU A 117 15.584 -5.707 15.015 1.00 0.25 C ATOM 1786 O LEU A 117 16.279 -5.541 14.034 1.00 0.29 O ATOM 1787 CB LEU A 117 14.957 -8.033 15.654 1.00 0.16 C ATOM 1788 CG LEU A 117 15.340 -9.235 16.512 1.00 0.21 C ATOM 1789 CD1 LEU A 117 14.082 -10.041 16.833 1.00 0.76 C ATOM 1790 CD2 LEU A 117 16.330 -10.114 15.744 1.00 0.56 C ATOM 0 H LEU A 117 15.033 -7.037 17.947 1.00 0.20 H new ATOM 0 HA LEU A 117 16.914 -7.153 15.892 1.00 0.21 H new ATOM 0 HB2 LEU A 117 13.916 -7.762 15.832 1.00 0.16 H new ATOM 0 HB3 LEU A 117 15.044 -8.285 14.597 1.00 0.16 H new ATOM 0 HG LEU A 117 15.803 -8.895 17.438 1.00 0.21 H new ATOM 0 HD11 LEU A 117 14.348 -10.902 17.446 1.00 0.76 H new ATOM 0 HD12 LEU A 117 13.376 -9.413 17.376 1.00 0.76 H new ATOM 0 HD13 LEU A 117 13.623 -10.384 15.906 1.00 0.76 H new ATOM 0 HD21 LEU A 117 16.604 -10.973 16.356 1.00 0.56 H new ATOM 0 HD22 LEU A 117 15.868 -10.460 14.819 1.00 0.56 H new ATOM 0 HD23 LEU A 117 17.224 -9.536 15.509 1.00 0.56 H new ATOM 1802 N ALA A 118 14.569 -4.915 15.259 1.00 0.26 N ATOM 1803 CA ALA A 118 14.271 -3.800 14.316 1.00 0.32 C ATOM 1804 C ALA A 118 13.515 -2.701 15.054 1.00 0.31 C ATOM 1805 O ALA A 118 13.455 -2.683 16.267 1.00 0.28 O ATOM 1806 CB ALA A 118 13.406 -4.317 13.164 1.00 0.35 C ATOM 0 H ALA A 118 13.943 -4.992 16.060 1.00 0.26 H new ATOM 0 HA ALA A 118 15.206 -3.404 13.921 1.00 0.32 H new ATOM 0 HB1 ALA A 118 13.190 -3.500 12.476 1.00 0.35 H new ATOM 0 HB2 ALA A 118 13.940 -5.106 12.634 1.00 0.35 H new ATOM 0 HB3 ALA A 118 12.472 -4.714 13.560 1.00 0.35 H new ATOM 1812 N CYS A 119 12.932 -1.784 14.337 1.00 0.33 N ATOM 1813 CA CYS A 119 12.181 -0.698 15.016 1.00 0.32 C ATOM 1814 C CYS A 119 11.684 0.313 13.972 1.00 0.21 C ATOM 1815 O CYS A 119 12.323 0.536 12.965 1.00 0.24 O ATOM 1816 CB CYS A 119 13.109 0.003 16.009 1.00 0.35 C ATOM 1817 SG CYS A 119 12.771 1.781 15.994 1.00 0.95 S ATOM 0 H CYS A 119 12.943 -1.740 13.318 1.00 0.33 H new ATOM 0 HA CYS A 119 11.325 -1.116 15.545 1.00 0.32 H new ATOM 0 HB2 CYS A 119 12.958 -0.399 17.011 1.00 0.35 H new ATOM 0 HB3 CYS A 119 14.150 -0.183 15.745 1.00 0.35 H new ATOM 1822 N ALA A 120 10.552 0.930 14.202 1.00 0.35 N ATOM 1823 CA ALA A 120 10.028 1.924 13.222 1.00 0.32 C ATOM 1824 C ALA A 120 9.274 3.024 13.973 1.00 0.32 C ATOM 1825 O ALA A 120 8.652 2.777 14.986 1.00 0.37 O ATOM 1826 CB ALA A 120 9.074 1.233 12.248 1.00 0.52 C ATOM 0 H ALA A 120 9.969 0.787 15.027 1.00 0.35 H new ATOM 0 HA ALA A 120 10.859 2.359 12.667 1.00 0.32 H new ATOM 0 HB1 ALA A 120 8.693 1.962 11.533 1.00 0.52 H new ATOM 0 HB2 ALA A 120 9.606 0.446 11.714 1.00 0.52 H new ATOM 0 HB3 ALA A 120 8.242 0.798 12.801 1.00 0.52 H new ATOM 1832 N ILE A 121 9.323 4.235 13.490 1.00 0.28 N ATOM 1833 CA ILE A 121 8.607 5.341 14.182 1.00 0.28 C ATOM 1834 C ILE A 121 7.833 6.166 13.155 1.00 0.31 C ATOM 1835 O ILE A 121 8.337 6.492 12.098 1.00 0.38 O ATOM 1836 CB ILE A 121 9.622 6.242 14.889 1.00 0.20 C ATOM 1837 CG1 ILE A 121 10.190 5.515 16.107 1.00 0.28 C ATOM 1838 CG2 ILE A 121 8.936 7.533 15.337 1.00 0.08 C ATOM 1839 CD1 ILE A 121 11.336 4.604 15.665 1.00 1.97 C ATOM 0 H ILE A 121 9.828 4.505 12.646 1.00 0.28 H new ATOM 0 HA ILE A 121 7.916 4.923 14.914 1.00 0.28 H new ATOM 0 HB ILE A 121 10.432 6.483 14.201 1.00 0.20 H new ATOM 0 HG12 ILE A 121 10.547 6.237 16.842 1.00 0.28 H new ATOM 0 HG13 ILE A 121 9.409 4.928 16.591 1.00 0.28 H new ATOM 0 HG21 ILE A 121 9.660 8.174 15.840 1.00 0.08 H new ATOM 0 HG22 ILE A 121 8.535 8.053 14.467 1.00 0.08 H new ATOM 0 HG23 ILE A 121 8.124 7.294 16.024 1.00 0.08 H new ATOM 0 HD11 ILE A 121 11.743 4.084 16.532 1.00 1.97 H new ATOM 0 HD12 ILE A 121 10.964 3.874 14.946 1.00 1.97 H new ATOM 0 HD13 ILE A 121 12.119 5.204 15.201 1.00 1.97 H new ATOM 1851 N ALA A 122 6.615 6.514 13.457 1.00 0.50 N ATOM 1852 CA ALA A 122 5.817 7.324 12.497 1.00 0.58 C ATOM 1853 C ALA A 122 5.576 8.714 13.093 1.00 0.53 C ATOM 1854 O ALA A 122 5.196 8.849 14.239 1.00 0.42 O ATOM 1855 CB ALA A 122 4.474 6.631 12.239 1.00 0.64 C ATOM 0 H ALA A 122 6.138 6.273 14.326 1.00 0.50 H new ATOM 0 HA ALA A 122 6.358 7.420 11.555 1.00 0.58 H new ATOM 0 HB1 ALA A 122 3.888 7.223 11.536 1.00 0.64 H new ATOM 0 HB2 ALA A 122 4.650 5.640 11.820 1.00 0.64 H new ATOM 0 HB3 ALA A 122 3.927 6.536 13.177 1.00 0.64 H new ATOM 1861 N THR A 123 5.794 9.749 12.328 1.00 0.71 N ATOM 1862 CA THR A 123 5.578 11.125 12.859 1.00 0.71 C ATOM 1863 C THR A 123 4.452 11.802 12.073 1.00 1.22 C ATOM 1864 O THR A 123 4.629 12.855 11.495 1.00 3.29 O ATOM 1865 CB THR A 123 6.867 11.939 12.717 1.00 1.29 C ATOM 1866 OG1 THR A 123 7.162 12.122 11.340 1.00 1.65 O ATOM 1867 CG2 THR A 123 8.019 11.196 13.393 1.00 1.27 C ATOM 0 H THR A 123 6.112 9.701 11.360 1.00 0.71 H new ATOM 0 HA THR A 123 5.303 11.069 13.912 1.00 0.71 H new ATOM 0 HB THR A 123 6.736 12.911 13.192 1.00 1.29 H new ATOM 0 HG1 THR A 123 6.506 12.732 10.943 1.00 1.65 H new ATOM 0 HG21 THR A 123 8.936 11.777 13.291 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.792 11.058 14.450 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.151 10.223 12.920 1.00 1.27 H new ATOM 1875 N HIS A 124 3.295 11.201 12.052 1.00 0.74 N ATOM 1876 CA HIS A 124 2.148 11.796 11.311 1.00 0.32 C ATOM 1877 C HIS A 124 0.953 10.850 11.420 1.00 0.25 C ATOM 1878 O HIS A 124 0.447 10.351 10.433 1.00 1.14 O ATOM 1879 CB HIS A 124 2.524 11.984 9.838 1.00 0.88 C ATOM 1880 CG HIS A 124 2.196 13.389 9.415 1.00 0.60 C ATOM 1881 ND1 HIS A 124 2.094 13.756 8.084 1.00 0.34 N ATOM 1882 CD2 HIS A 124 1.940 14.528 10.139 1.00 0.84 C ATOM 1883 CE1 HIS A 124 1.787 15.066 8.046 1.00 0.42 C ATOM 1884 NE2 HIS A 124 1.682 15.585 9.273 1.00 0.44 N ATOM 0 H HIS A 124 3.094 10.317 12.520 1.00 0.74 H new ATOM 0 HA HIS A 124 1.895 12.767 11.737 1.00 0.32 H new ATOM 0 HB2 HIS A 124 3.587 11.788 9.694 1.00 0.88 H new ATOM 0 HB3 HIS A 124 1.981 11.270 9.219 1.00 0.88 H new ATOM 0 HD2 HIS A 124 1.939 14.593 11.217 1.00 0.84 H new ATOM 0 HE1 HIS A 124 1.643 15.629 7.135 1.00 0.42 H new ATOM 0 HE2 HIS A 124 1.460 16.549 9.521 1.00 0.44 H new ATOM 1892 N GLY A 125 0.505 10.592 12.620 1.00 0.48 N ATOM 1893 CA GLY A 125 -0.650 9.669 12.806 1.00 0.37 C ATOM 1894 C GLY A 125 -1.687 10.316 13.720 1.00 0.34 C ATOM 1895 O GLY A 125 -1.414 11.275 14.407 1.00 0.46 O ATOM 0 H GLY A 125 0.890 10.982 13.480 1.00 0.48 H new ATOM 0 HA2 GLY A 125 -1.099 9.434 11.841 1.00 0.37 H new ATOM 0 HA3 GLY A 125 -0.309 8.727 13.237 1.00 0.37 H new ATOM 1899 N LYS A 126 -2.879 9.793 13.730 1.00 0.26 N ATOM 1900 CA LYS A 126 -3.952 10.350 14.604 1.00 0.31 C ATOM 1901 C LYS A 126 -4.925 9.211 14.944 1.00 0.29 C ATOM 1902 O LYS A 126 -5.168 8.343 14.128 1.00 0.31 O ATOM 1903 CB LYS A 126 -4.702 11.466 13.868 1.00 0.31 C ATOM 1904 CG LYS A 126 -3.721 12.567 13.454 1.00 0.38 C ATOM 1905 CD LYS A 126 -4.421 13.537 12.500 1.00 1.01 C ATOM 1906 CE LYS A 126 -4.550 14.909 13.161 1.00 1.28 C ATOM 1907 NZ LYS A 126 -5.335 15.811 12.273 1.00 0.58 N ATOM 0 H LYS A 126 -3.161 8.993 13.163 1.00 0.26 H new ATOM 0 HA LYS A 126 -3.518 10.766 15.513 1.00 0.31 H new ATOM 0 HB2 LYS A 126 -5.201 11.061 12.987 1.00 0.31 H new ATOM 0 HB3 LYS A 126 -5.478 11.881 14.512 1.00 0.31 H new ATOM 0 HG2 LYS A 126 -3.363 13.100 14.334 1.00 0.38 H new ATOM 0 HG3 LYS A 126 -2.848 12.129 12.970 1.00 0.38 H new ATOM 0 HD2 LYS A 126 -3.855 13.622 11.572 1.00 1.01 H new ATOM 0 HD3 LYS A 126 -5.408 13.155 12.238 1.00 1.01 H new ATOM 0 HE2 LYS A 126 -5.042 14.814 14.129 1.00 1.28 H new ATOM 0 HE3 LYS A 126 -3.562 15.331 13.346 1.00 1.28 H new ATOM 0 HZ1 LYS A 126 -5.425 16.746 12.720 1.00 0.58 H new ATOM 0 HZ2 LYS A 126 -4.848 15.909 11.360 1.00 0.58 H new ATOM 0 HZ3 LYS A 126 -6.282 15.409 12.119 1.00 0.58 H new ATOM 1921 N ILE A 127 -5.488 9.187 16.122 1.00 0.27 N ATOM 1922 CA ILE A 127 -6.432 8.078 16.449 1.00 0.30 C ATOM 1923 C ILE A 127 -7.874 8.590 16.448 1.00 0.35 C ATOM 1924 O ILE A 127 -8.161 9.677 16.908 1.00 0.34 O ATOM 1925 CB ILE A 127 -6.120 7.492 17.824 1.00 0.30 C ATOM 1926 CG1 ILE A 127 -4.850 6.640 17.747 1.00 0.37 C ATOM 1927 CG2 ILE A 127 -7.288 6.605 18.245 1.00 0.31 C ATOM 1928 CD1 ILE A 127 -4.310 6.393 19.159 1.00 0.18 C ATOM 0 H ILE A 127 -5.340 9.874 16.861 1.00 0.27 H new ATOM 0 HA ILE A 127 -6.314 7.305 15.690 1.00 0.30 H new ATOM 0 HB ILE A 127 -5.970 8.296 18.544 1.00 0.30 H new ATOM 0 HG12 ILE A 127 -5.066 5.690 17.258 1.00 0.37 H new ATOM 0 HG13 ILE A 127 -4.097 7.145 17.142 1.00 0.37 H new ATOM 0 HG21 ILE A 127 -7.084 6.176 19.226 1.00 0.31 H new ATOM 0 HG22 ILE A 127 -8.199 7.201 18.292 1.00 0.31 H new ATOM 0 HG23 ILE A 127 -7.416 5.803 17.518 1.00 0.31 H new ATOM 0 HD11 ILE A 127 -3.406 5.786 19.102 1.00 0.18 H new ATOM 0 HD12 ILE A 127 -4.077 7.347 19.632 1.00 0.18 H new ATOM 0 HD13 ILE A 127 -5.062 5.869 19.750 1.00 0.18 H new ATOM 1940 N ARG A 128 -8.786 7.800 15.945 1.00 0.42 N ATOM 1941 CA ARG A 128 -10.218 8.218 15.921 1.00 0.49 C ATOM 1942 C ARG A 128 -11.078 7.108 16.526 1.00 0.51 C ATOM 1943 O ARG A 128 -10.580 6.079 16.936 1.00 0.44 O ATOM 1944 CB ARG A 128 -10.664 8.476 14.482 1.00 0.52 C ATOM 1945 CG ARG A 128 -10.211 9.873 14.053 1.00 0.60 C ATOM 1946 CD ARG A 128 -11.331 10.557 13.269 1.00 0.40 C ATOM 1947 NE ARG A 128 -10.891 11.923 12.867 1.00 0.25 N ATOM 1948 CZ ARG A 128 -11.757 12.898 12.809 1.00 0.88 C ATOM 1949 NH1 ARG A 128 -12.934 12.695 12.282 1.00 1.54 N ATOM 1950 NH2 ARG A 128 -11.447 14.077 13.277 1.00 1.15 N ATOM 0 H ARG A 128 -8.599 6.879 15.548 1.00 0.42 H new ATOM 0 HA ARG A 128 -10.333 9.134 16.500 1.00 0.49 H new ATOM 0 HB2 ARG A 128 -10.239 7.724 13.817 1.00 0.52 H new ATOM 0 HB3 ARG A 128 -11.748 8.393 14.405 1.00 0.52 H new ATOM 0 HG2 ARG A 128 -9.951 10.467 14.929 1.00 0.60 H new ATOM 0 HG3 ARG A 128 -9.314 9.803 13.438 1.00 0.60 H new ATOM 0 HD2 ARG A 128 -11.583 9.970 12.386 1.00 0.40 H new ATOM 0 HD3 ARG A 128 -12.232 10.618 13.879 1.00 0.40 H new ATOM 0 HE ARG A 128 -9.912 12.096 12.637 1.00 0.25 H new ATOM 0 HH11 ARG A 128 -13.177 11.775 11.916 1.00 1.54 H new ATOM 0 HH12 ARG A 128 -13.611 13.457 12.237 1.00 1.54 H new ATOM 0 HH21 ARG A 128 -10.527 14.237 13.688 1.00 1.15 H new ATOM 0 HH22 ARG A 128 -12.124 14.838 13.231 1.00 1.15 H new ATOM 1964 N ASP A 129 -12.366 7.309 16.591 1.00 0.62 N ATOM 1965 CA ASP A 129 -13.253 6.263 17.175 1.00 0.65 C ATOM 1966 C ASP A 129 -14.276 5.814 16.130 1.00 0.60 C ATOM 1967 O ASP A 129 -14.583 6.601 15.252 1.00 0.74 O ATOM 1968 CB ASP A 129 -13.988 6.833 18.389 1.00 0.57 C ATOM 1969 CG ASP A 129 -14.867 5.745 19.006 1.00 0.59 C ATOM 1970 OD1 ASP A 129 -14.453 4.598 18.990 1.00 1.64 O ATOM 1971 OD2 ASP A 129 -15.940 6.077 19.481 1.00 0.96 O ATOM 1972 OXT ASP A 129 -14.736 4.688 16.228 1.00 0.81 O ATOM 0 H ASP A 129 -12.842 8.151 16.266 1.00 0.62 H new ATOM 0 HA ASP A 129 -12.648 5.410 17.482 1.00 0.65 H new ATOM 0 HB2 ASP A 129 -13.271 7.197 19.124 1.00 0.57 H new ATOM 0 HB3 ASP A 129 -14.599 7.685 18.091 1.00 0.57 H new