USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 914 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 NoAdj-H: A 5 GLU H : A 5 GLU N : A 4 GLU OE1 :(H bumps) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0.569 (180deg=0.569) USER MOD Single : A 8 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.064) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 24 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 89:sc= 0.0929 USER MOD Single : A 38 HIS : no HE2:sc= 0.0163 X(o=0.016,f=-0.096) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -9:sc= -4.62! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 170:sc= -0.208 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0.235 (180deg=0.224) USER MOD Single : A 68 THR OG1 : rot 150:sc= -0.115 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -134:sc= 0.869 USER MOD Single : A 82 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 84 THR OG1 : rot -68:sc= -1.36! USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= -1.23 (180deg=-2.35!) USER MOD Single : A 90 ASN : amide:sc= -0.864 X(o=-0.86,f=-0.73) USER MOD Single : A 93 THR OG1 : rot 57:sc= -0.229! USER MOD Single : A 95 SER OG : rot 61:sc= 0.942 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -165:sc= -4.85 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.996 10.993 15.472 1.00 7.08 N ATOM 2 CA ASP A 1 -7.609 11.374 15.866 1.00 6.65 C ATOM 3 C ASP A 1 -6.777 10.121 16.148 1.00 5.96 C ATOM 4 O ASP A 1 -7.308 9.054 16.391 1.00 6.16 O ATOM 5 CB ASP A 1 -7.773 12.206 17.140 1.00 7.15 C ATOM 6 CG ASP A 1 -9.197 12.042 17.676 1.00 7.15 C ATOM 7 OD1 ASP A 1 -9.677 10.920 17.694 1.00 7.37 O ATOM 8 OD2 ASP A 1 -9.783 13.041 18.060 1.00 7.22 O ATOM 0 H1 ASP A 1 -9.551 11.852 15.283 1.00 7.08 H new ATOM 0 H2 ASP A 1 -8.964 10.405 14.614 1.00 7.08 H new ATOM 0 H3 ASP A 1 -9.441 10.456 16.243 1.00 7.08 H new ATOM 0 HA ASP A 1 -7.094 11.928 15.081 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -7.051 11.886 17.891 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -7.571 13.256 16.930 1.00 7.15 H new ATOM 15 N ALA A 2 -5.478 10.241 16.119 1.00 5.41 N ATOM 16 CA ALA A 2 -4.606 9.059 16.386 1.00 4.78 C ATOM 17 C ALA A 2 -4.957 7.906 15.434 1.00 3.77 C ATOM 18 O ALA A 2 -5.929 7.207 15.645 1.00 3.42 O ATOM 19 CB ALA A 2 -4.899 8.664 17.835 1.00 5.00 C ATOM 0 H ALA A 2 -4.980 11.109 15.921 1.00 5.41 H new ATOM 0 HA ALA A 2 -3.552 9.287 16.230 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -4.293 7.799 18.106 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -4.658 9.497 18.495 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -5.955 8.414 17.938 1.00 5.00 H new ATOM 25 N PRO A 3 -4.153 7.742 14.411 1.00 3.56 N ATOM 26 CA PRO A 3 -4.394 6.656 13.428 1.00 2.78 C ATOM 27 C PRO A 3 -4.052 5.296 14.041 1.00 2.04 C ATOM 28 O PRO A 3 -3.472 5.213 15.106 1.00 2.31 O ATOM 29 CB PRO A 3 -3.445 6.991 12.282 1.00 3.38 C ATOM 30 CG PRO A 3 -2.354 7.802 12.907 1.00 4.09 C ATOM 31 CD PRO A 3 -2.957 8.531 14.078 1.00 4.30 C ATOM 0 HA PRO A 3 -5.434 6.591 13.107 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -3.049 6.086 11.820 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -3.955 7.552 11.499 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -1.536 7.160 13.233 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -1.938 8.507 12.187 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -2.264 8.579 14.918 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -3.216 9.558 13.819 1.00 4.30 H new ATOM 39 N GLU A 4 -4.410 4.229 13.379 1.00 1.37 N ATOM 40 CA GLU A 4 -4.107 2.875 13.928 1.00 1.14 C ATOM 41 C GLU A 4 -3.380 2.027 12.881 1.00 0.89 C ATOM 42 O GLU A 4 -3.337 2.364 11.714 1.00 1.30 O ATOM 43 CB GLU A 4 -5.473 2.270 14.254 1.00 1.67 C ATOM 44 CG GLU A 4 -5.338 1.314 15.441 1.00 2.39 C ATOM 45 CD GLU A 4 -4.658 0.023 14.980 1.00 2.65 C ATOM 46 OE1 GLU A 4 -3.718 0.115 14.208 1.00 3.05 O ATOM 47 OE2 GLU A 4 -5.091 -1.036 15.407 1.00 3.09 O ATOM 0 H GLU A 4 -4.898 4.236 12.483 1.00 1.37 H new ATOM 0 HA GLU A 4 -3.459 2.919 14.803 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.186 3.060 14.489 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.863 1.737 13.387 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.755 1.782 16.234 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.321 1.092 15.857 1.00 2.39 H new ATOM 54 N GLU A 5 -2.809 0.927 13.291 1.00 1.00 N ATOM 55 CA GLU A 5 -2.083 0.053 12.323 1.00 0.81 C ATOM 56 C GLU A 5 -2.554 -1.396 12.468 1.00 0.87 C ATOM 57 O GLU A 5 -3.134 -1.773 13.468 1.00 1.15 O ATOM 58 CB GLU A 5 -0.609 0.178 12.708 1.00 0.95 C ATOM 59 CG GLU A 5 -0.035 1.469 12.122 1.00 1.46 C ATOM 60 CD GLU A 5 1.430 1.609 12.543 1.00 1.82 C ATOM 61 OE1 GLU A 5 2.060 0.589 12.770 1.00 2.19 O ATOM 62 OE2 GLU A 5 1.895 2.733 12.632 1.00 2.50 O ATOM 0 HA GLU A 5 -2.260 0.344 11.288 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.505 0.181 13.793 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.051 -0.682 12.337 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.113 1.454 11.035 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.609 2.327 12.471 1.00 1.46 H new ATOM 69 N GLU A 6 -2.308 -2.214 11.481 1.00 0.79 N ATOM 70 CA GLU A 6 -2.743 -3.637 11.569 1.00 1.04 C ATOM 71 C GLU A 6 -1.521 -4.560 11.625 1.00 1.10 C ATOM 72 O GLU A 6 -1.101 -4.984 12.684 1.00 1.76 O ATOM 73 CB GLU A 6 -3.550 -3.885 10.295 1.00 1.28 C ATOM 74 CG GLU A 6 -5.042 -3.735 10.599 1.00 1.68 C ATOM 75 CD GLU A 6 -5.826 -4.818 9.856 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.802 -5.952 10.303 1.00 2.24 O ATOM 77 OE2 GLU A 6 -6.437 -4.494 8.850 1.00 2.63 O ATOM 0 H GLU A 6 -1.826 -1.959 10.619 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.331 -3.836 12.465 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.253 -3.178 9.520 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.345 -4.884 9.911 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -5.215 -3.817 11.672 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -5.388 -2.747 10.295 1.00 1.68 H new ATOM 84 N ASP A 7 -0.946 -4.874 10.495 1.00 1.27 N ATOM 85 CA ASP A 7 0.248 -5.768 10.489 1.00 1.35 C ATOM 86 C ASP A 7 1.474 -5.004 9.978 1.00 1.28 C ATOM 87 O ASP A 7 1.771 -5.002 8.800 1.00 2.01 O ATOM 88 CB ASP A 7 -0.112 -6.906 9.536 1.00 1.53 C ATOM 89 CG ASP A 7 -1.355 -7.631 10.059 1.00 1.92 C ATOM 90 OD1 ASP A 7 -1.295 -8.147 11.164 1.00 2.36 O ATOM 91 OD2 ASP A 7 -2.345 -7.657 9.347 1.00 2.57 O ATOM 0 H ASP A 7 -1.251 -4.551 9.577 1.00 1.27 H new ATOM 0 HA ASP A 7 0.495 -6.137 11.485 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -0.300 -6.513 8.537 1.00 1.53 H new ATOM 0 HB3 ASP A 7 0.722 -7.603 9.453 1.00 1.53 H new ATOM 96 N HIS A 8 2.180 -4.350 10.863 1.00 1.21 N ATOM 97 CA HIS A 8 3.390 -3.573 10.452 1.00 1.11 C ATOM 98 C HIS A 8 3.031 -2.514 9.402 1.00 0.81 C ATOM 99 O HIS A 8 3.890 -1.976 8.731 1.00 0.87 O ATOM 100 CB HIS A 8 4.360 -4.605 9.869 1.00 1.32 C ATOM 101 CG HIS A 8 5.244 -5.133 10.965 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.708 -6.440 10.976 1.00 2.30 N ATOM 103 CD2 HIS A 8 5.757 -4.544 12.095 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.463 -6.592 12.079 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.526 -5.467 12.797 1.00 2.33 N ATOM 0 H HIS A 8 1.970 -4.320 11.861 1.00 1.21 H new ATOM 0 HA HIS A 8 3.827 -3.037 11.295 1.00 1.11 H new ATOM 0 HB2 HIS A 8 3.805 -5.422 9.408 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.966 -4.149 9.086 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.589 -3.520 12.393 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.958 -7.512 12.351 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.029 -5.317 13.671 1.00 2.33 H new ATOM 113 N VAL A 9 1.770 -2.204 9.253 1.00 0.69 N ATOM 114 CA VAL A 9 1.359 -1.188 8.259 1.00 0.49 C ATOM 115 C VAL A 9 0.194 -0.366 8.817 1.00 0.41 C ATOM 116 O VAL A 9 -0.321 -0.648 9.880 1.00 0.54 O ATOM 117 CB VAL A 9 0.917 -1.999 7.048 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.111 -2.773 6.484 1.00 0.89 C ATOM 119 CG2 VAL A 9 -0.184 -2.980 7.454 1.00 0.88 C ATOM 0 H VAL A 9 1.006 -2.619 9.786 1.00 0.69 H new ATOM 0 HA VAL A 9 2.155 -0.486 8.011 1.00 0.49 H new ATOM 0 HB VAL A 9 0.531 -1.322 6.286 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.792 -3.353 5.618 1.00 0.89 H new ATOM 0 HG12 VAL A 9 2.891 -2.072 6.185 1.00 0.89 H new ATOM 0 HG13 VAL A 9 2.502 -3.446 7.247 1.00 0.89 H new ATOM 0 HG21 VAL A 9 -0.496 -3.557 6.584 1.00 0.88 H new ATOM 0 HG22 VAL A 9 0.195 -3.656 8.221 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -1.037 -2.427 7.848 1.00 0.88 H new ATOM 129 N LEU A 10 -0.224 0.651 8.116 1.00 0.41 N ATOM 130 CA LEU A 10 -1.356 1.481 8.626 1.00 0.54 C ATOM 131 C LEU A 10 -2.593 1.309 7.738 1.00 0.42 C ATOM 132 O LEU A 10 -2.521 0.776 6.652 1.00 0.59 O ATOM 133 CB LEU A 10 -0.849 2.923 8.570 1.00 0.83 C ATOM 134 CG LEU A 10 -0.558 3.310 7.118 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.345 4.571 6.759 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.939 3.578 6.954 1.00 1.49 C ATOM 0 H LEU A 10 0.164 0.943 7.219 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.653 1.192 9.634 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.593 3.597 8.994 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.054 3.025 9.172 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.856 2.496 6.457 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.138 4.847 5.725 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.412 4.380 6.877 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.047 5.386 7.419 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.148 3.854 5.920 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.237 4.392 7.614 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.500 2.679 7.210 1.00 1.49 H new ATOM 148 N VAL A 11 -3.728 1.762 8.193 1.00 0.54 N ATOM 149 CA VAL A 11 -4.965 1.629 7.370 1.00 0.46 C ATOM 150 C VAL A 11 -5.450 3.013 6.936 1.00 0.43 C ATOM 151 O VAL A 11 -5.293 3.986 7.647 1.00 0.54 O ATOM 152 CB VAL A 11 -5.994 0.958 8.283 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.551 -0.476 8.580 1.00 1.04 C ATOM 154 CG2 VAL A 11 -6.111 1.740 9.595 1.00 1.39 C ATOM 0 H VAL A 11 -3.854 2.218 9.097 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.797 1.047 6.464 1.00 0.46 H new ATOM 0 HB VAL A 11 -6.964 0.945 7.786 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.283 -0.956 9.230 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -5.474 -1.034 7.647 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -4.580 -0.462 9.075 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -6.845 1.258 10.241 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -5.143 1.758 10.095 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -6.429 2.761 9.383 1.00 1.39 H new ATOM 164 N LEU A 12 -6.033 3.114 5.774 1.00 0.40 N ATOM 165 CA LEU A 12 -6.518 4.444 5.304 1.00 0.45 C ATOM 166 C LEU A 12 -8.036 4.546 5.463 1.00 0.44 C ATOM 167 O LEU A 12 -8.703 3.582 5.784 1.00 0.58 O ATOM 168 CB LEU A 12 -6.121 4.514 3.830 1.00 0.63 C ATOM 169 CG LEU A 12 -4.597 4.614 3.719 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.196 4.699 2.246 1.00 1.16 C ATOM 171 CD2 LEU A 12 -4.110 5.865 4.454 1.00 0.82 C ATOM 0 H LEU A 12 -6.195 2.338 5.132 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.089 5.265 5.879 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.478 3.629 3.303 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.589 5.377 3.356 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.143 3.731 4.168 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.111 4.770 2.168 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.540 3.806 1.723 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.651 5.581 1.795 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -3.025 5.935 4.374 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.564 6.749 4.007 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.393 5.803 5.505 1.00 0.82 H new ATOM 183 N ARG A 13 -8.587 5.710 5.247 1.00 0.47 N ATOM 184 CA ARG A 13 -10.062 5.875 5.392 1.00 0.55 C ATOM 185 C ARG A 13 -10.584 6.911 4.392 1.00 0.54 C ATOM 186 O ARG A 13 -9.879 7.340 3.500 1.00 0.73 O ATOM 187 CB ARG A 13 -10.262 6.360 6.827 1.00 0.69 C ATOM 188 CG ARG A 13 -10.090 5.184 7.789 1.00 1.19 C ATOM 189 CD ARG A 13 -10.855 5.463 9.083 1.00 1.28 C ATOM 190 NE ARG A 13 -11.772 4.299 9.243 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.416 4.126 10.364 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.763 3.817 11.450 1.00 2.84 N ATOM 193 NH2 ARG A 13 -13.714 4.261 10.398 1.00 2.68 N ATOM 0 H ARG A 13 -8.080 6.553 4.977 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.604 4.950 5.194 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.542 7.144 7.061 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.255 6.795 6.941 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.458 4.267 7.328 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.033 5.030 8.006 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.177 5.552 9.932 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.411 6.398 9.020 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.896 3.638 8.476 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -10.749 3.711 11.423 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -12.266 3.682 12.327 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -14.224 4.502 9.548 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -14.218 4.126 11.274 1.00 2.68 H new ATOM 207 N LYS A 14 -11.819 7.312 4.531 1.00 0.58 N ATOM 208 CA LYS A 14 -12.389 8.315 3.586 1.00 0.63 C ATOM 209 C LYS A 14 -11.653 9.652 3.713 1.00 0.65 C ATOM 210 O LYS A 14 -11.456 10.357 2.744 1.00 0.83 O ATOM 211 CB LYS A 14 -13.851 8.468 4.008 1.00 0.74 C ATOM 212 CG LYS A 14 -14.737 8.528 2.761 1.00 1.26 C ATOM 213 CD LYS A 14 -15.296 9.943 2.601 1.00 1.92 C ATOM 214 CE LYS A 14 -16.755 9.970 3.063 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.712 10.545 4.437 1.00 2.80 N ATOM 0 H LYS A 14 -12.458 6.989 5.258 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.291 8.000 2.547 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.148 7.630 4.639 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.977 9.374 4.601 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.160 8.251 1.878 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.553 7.810 2.847 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.705 10.647 3.186 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.227 10.257 1.560 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.368 10.579 2.399 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.187 8.969 3.067 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -17.677 10.596 4.822 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.127 9.941 5.048 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.303 11.500 4.401 1.00 2.80 H new ATOM 229 N SER A 15 -11.246 10.008 4.901 1.00 0.68 N ATOM 230 CA SER A 15 -10.526 11.302 5.085 1.00 0.88 C ATOM 231 C SER A 15 -9.057 11.064 5.455 1.00 0.81 C ATOM 232 O SER A 15 -8.322 11.994 5.723 1.00 1.05 O ATOM 233 CB SER A 15 -11.256 11.997 6.234 1.00 1.10 C ATOM 234 OG SER A 15 -12.340 12.755 5.719 1.00 1.68 O ATOM 0 H SER A 15 -11.380 9.461 5.751 1.00 0.68 H new ATOM 0 HA SER A 15 -10.524 11.898 4.172 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.622 11.257 6.946 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.569 12.647 6.775 1.00 1.10 H new ATOM 0 HG SER A 15 -12.808 13.199 6.457 1.00 1.68 H new ATOM 240 N ASN A 16 -8.618 9.834 5.478 1.00 0.65 N ATOM 241 CA ASN A 16 -7.197 9.562 5.838 1.00 0.68 C ATOM 242 C ASN A 16 -6.429 9.027 4.625 1.00 0.55 C ATOM 243 O ASN A 16 -5.218 9.101 4.567 1.00 0.56 O ATOM 244 CB ASN A 16 -7.267 8.503 6.939 1.00 0.87 C ATOM 245 CG ASN A 16 -5.855 8.192 7.436 1.00 0.91 C ATOM 246 OD1 ASN A 16 -4.896 8.787 6.988 1.00 1.74 O ATOM 247 ND2 ASN A 16 -5.686 7.278 8.354 1.00 0.98 N ATOM 0 H ASN A 16 -9.179 9.010 5.264 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.676 10.462 6.166 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.884 8.860 7.763 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.738 7.597 6.558 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -4.749 7.064 8.694 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.492 6.778 8.730 1.00 0.98 H new ATOM 254 N PHE A 17 -7.119 8.486 3.657 1.00 0.55 N ATOM 255 CA PHE A 17 -6.416 7.948 2.458 1.00 0.51 C ATOM 256 C PHE A 17 -5.594 9.050 1.780 1.00 0.46 C ATOM 257 O PHE A 17 -4.380 9.004 1.756 1.00 0.52 O ATOM 258 CB PHE A 17 -7.527 7.460 1.527 1.00 0.56 C ATOM 259 CG PHE A 17 -6.913 6.697 0.380 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.208 7.379 -0.618 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.057 5.307 0.310 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.645 6.670 -1.685 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.495 4.597 -0.758 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.760 5.285 -1.744 1.00 0.87 C ATOM 0 H PHE A 17 -8.135 8.394 3.645 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.721 7.149 2.717 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.222 6.822 2.073 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.101 8.307 1.150 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.098 8.452 -0.565 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.602 4.781 1.080 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.119 7.200 -2.465 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.624 3.527 -0.826 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.286 4.737 -2.545 1.00 0.87 H new ATOM 274 N ALA A 18 -6.245 10.036 1.228 1.00 0.52 N ATOM 275 CA ALA A 18 -5.499 11.137 0.550 1.00 0.66 C ATOM 276 C ALA A 18 -4.584 11.849 1.549 1.00 0.59 C ATOM 277 O ALA A 18 -3.557 12.388 1.190 1.00 0.75 O ATOM 278 CB ALA A 18 -6.579 12.090 0.039 1.00 0.84 C ATOM 0 H ALA A 18 -7.261 10.128 1.216 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.864 10.770 -0.256 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.110 12.930 -0.474 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.233 11.561 -0.654 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.165 12.460 0.880 1.00 0.84 H new ATOM 284 N GLU A 19 -4.950 11.854 2.800 1.00 0.46 N ATOM 285 CA GLU A 19 -4.102 12.529 3.822 1.00 0.49 C ATOM 286 C GLU A 19 -2.744 11.833 3.923 1.00 0.48 C ATOM 287 O GLU A 19 -1.706 12.449 3.782 1.00 0.56 O ATOM 288 CB GLU A 19 -4.875 12.380 5.132 1.00 0.55 C ATOM 289 CG GLU A 19 -4.258 13.292 6.193 1.00 0.69 C ATOM 290 CD GLU A 19 -2.847 12.804 6.528 1.00 1.04 C ATOM 291 OE1 GLU A 19 -2.736 11.762 7.153 1.00 1.78 O ATOM 292 OE2 GLU A 19 -1.904 13.480 6.154 1.00 1.66 O ATOM 0 H GLU A 19 -5.800 11.420 3.159 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.908 13.573 3.576 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.923 12.638 4.980 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.847 11.343 5.467 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -4.222 14.319 5.829 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -4.876 13.293 7.091 1.00 0.69 H new ATOM 299 N ALA A 20 -2.744 10.554 4.169 1.00 0.45 N ATOM 300 CA ALA A 20 -1.455 9.814 4.281 1.00 0.53 C ATOM 301 C ALA A 20 -0.640 9.974 2.996 1.00 0.57 C ATOM 302 O ALA A 20 0.574 10.025 3.022 1.00 0.71 O ATOM 303 CB ALA A 20 -1.854 8.353 4.487 1.00 0.57 C ATOM 0 H ALA A 20 -3.582 9.987 4.298 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.835 10.185 5.097 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.957 7.740 4.579 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.449 8.263 5.396 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.440 8.012 3.634 1.00 0.57 H new ATOM 309 N LEU A 21 -1.297 10.048 1.874 1.00 0.55 N ATOM 310 CA LEU A 21 -0.563 10.201 0.585 1.00 0.69 C ATOM 311 C LEU A 21 0.159 11.548 0.536 1.00 0.75 C ATOM 312 O LEU A 21 1.287 11.645 0.093 1.00 0.92 O ATOM 313 CB LEU A 21 -1.642 10.132 -0.493 1.00 0.74 C ATOM 314 CG LEU A 21 -2.206 8.712 -0.563 1.00 0.84 C ATOM 315 CD1 LEU A 21 -3.264 8.639 -1.661 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.083 7.727 -0.884 1.00 1.44 C ATOM 0 H LEU A 21 -2.313 10.009 1.792 1.00 0.55 H new ATOM 0 HA LEU A 21 0.199 9.433 0.453 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.440 10.840 -0.269 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.224 10.416 -1.459 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.653 8.456 0.398 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.667 7.627 -1.712 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -4.069 9.339 -1.438 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.813 8.898 -2.619 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.488 6.716 -0.933 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.636 7.985 -1.844 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.323 7.775 -0.104 1.00 1.44 H new ATOM 328 N ALA A 22 -0.484 12.588 0.983 1.00 0.71 N ATOM 329 CA ALA A 22 0.161 13.933 0.960 1.00 0.85 C ATOM 330 C ALA A 22 1.090 14.100 2.167 1.00 0.89 C ATOM 331 O ALA A 22 2.022 14.878 2.142 1.00 1.08 O ATOM 332 CB ALA A 22 -0.996 14.929 1.032 1.00 1.00 C ATOM 0 H ALA A 22 -1.430 12.567 1.364 1.00 0.71 H new ATOM 0 HA ALA A 22 0.772 14.081 0.069 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.602 15.945 1.020 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.654 14.784 0.175 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.558 14.768 1.952 1.00 1.00 H new ATOM 338 N ALA A 23 0.842 13.376 3.224 1.00 0.86 N ATOM 339 CA ALA A 23 1.710 13.497 4.432 1.00 0.93 C ATOM 340 C ALA A 23 3.085 12.876 4.164 1.00 0.85 C ATOM 341 O ALA A 23 4.095 13.550 4.177 1.00 0.95 O ATOM 342 CB ALA A 23 0.978 12.723 5.528 1.00 1.05 C ATOM 0 H ALA A 23 0.077 12.706 3.304 1.00 0.86 H new ATOM 0 HA ALA A 23 1.881 14.537 4.712 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.556 12.766 6.451 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.004 13.167 5.693 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.859 11.684 5.222 1.00 1.05 H new ATOM 348 N HIS A 24 3.130 11.593 3.928 1.00 0.83 N ATOM 349 CA HIS A 24 4.439 10.930 3.665 1.00 0.84 C ATOM 350 C HIS A 24 4.773 10.983 2.172 1.00 0.82 C ATOM 351 O HIS A 24 4.026 11.519 1.378 1.00 1.30 O ATOM 352 CB HIS A 24 4.246 9.485 4.124 1.00 0.95 C ATOM 353 CG HIS A 24 4.250 9.434 5.627 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.375 9.070 6.350 1.00 1.80 N ATOM 355 CD2 HIS A 24 3.275 9.697 6.556 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.052 9.125 7.656 1.00 2.04 C ATOM 357 NE2 HIS A 24 3.784 9.502 7.837 1.00 2.00 N ATOM 0 H HIS A 24 2.318 10.976 3.906 1.00 0.83 H new ATOM 0 HA HIS A 24 5.262 11.418 4.187 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.305 9.092 3.738 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.042 8.856 3.726 1.00 0.95 H new ATOM 0 HD2 HIS A 24 2.266 10.008 6.328 1.00 1.84 H new ATOM 0 HE1 HIS A 24 5.735 8.892 8.459 1.00 2.04 H new ATOM 0 HE2 HIS A 24 3.294 9.621 8.723 1.00 2.00 H new ATOM 365 N LYS A 25 5.892 10.433 1.784 1.00 0.72 N ATOM 366 CA LYS A 25 6.274 10.454 0.343 1.00 0.69 C ATOM 367 C LYS A 25 5.745 9.203 -0.364 1.00 0.59 C ATOM 368 O LYS A 25 4.794 9.263 -1.120 1.00 0.68 O ATOM 369 CB LYS A 25 7.803 10.475 0.338 1.00 0.81 C ATOM 370 CG LYS A 25 8.291 11.897 0.058 1.00 1.20 C ATOM 371 CD LYS A 25 9.570 12.166 0.855 1.00 1.51 C ATOM 372 CE LYS A 25 10.789 11.911 -0.035 1.00 2.06 C ATOM 373 NZ LYS A 25 11.953 12.401 0.754 1.00 2.47 N ATOM 0 H LYS A 25 6.558 9.970 2.403 1.00 0.72 H new ATOM 0 HA LYS A 25 5.856 11.312 -0.183 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.185 10.130 1.299 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.185 9.792 -0.421 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.481 12.024 -1.008 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.521 12.618 0.333 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.578 13.195 1.214 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.606 11.521 1.733 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.890 10.852 -0.271 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.703 12.442 -0.983 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 12.827 12.259 0.208 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.833 13.414 0.958 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 12.014 11.873 1.648 1.00 2.47 H new ATOM 387 N TYR A 26 6.347 8.069 -0.124 1.00 0.52 N ATOM 388 CA TYR A 26 5.869 6.820 -0.783 1.00 0.48 C ATOM 389 C TYR A 26 4.787 6.163 0.077 1.00 0.46 C ATOM 390 O TYR A 26 5.041 5.737 1.186 1.00 0.53 O ATOM 391 CB TYR A 26 7.101 5.922 -0.869 1.00 0.56 C ATOM 392 CG TYR A 26 8.019 6.422 -1.956 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.589 6.435 -3.286 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.302 6.874 -1.629 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.444 6.900 -4.293 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.158 7.339 -2.635 1.00 1.31 C ATOM 397 CZ TYR A 26 9.728 7.352 -3.968 1.00 1.08 C ATOM 398 OH TYR A 26 10.571 7.811 -4.960 1.00 1.33 O ATOM 0 H TYR A 26 7.147 7.954 0.498 1.00 0.52 H new ATOM 0 HA TYR A 26 5.433 7.006 -1.765 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.624 5.914 0.087 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.801 4.895 -1.077 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.598 6.087 -3.537 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.632 6.864 -0.601 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.112 6.910 -5.321 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.149 7.687 -2.383 1.00 1.31 H new ATOM 0 HH TYR A 26 11.423 8.088 -4.563 1.00 1.33 H new ATOM 408 N LEU A 27 3.583 6.084 -0.417 1.00 0.46 N ATOM 409 CA LEU A 27 2.497 5.459 0.390 1.00 0.45 C ATOM 410 C LEU A 27 1.878 4.283 -0.368 1.00 0.40 C ATOM 411 O LEU A 27 1.260 4.455 -1.399 1.00 0.50 O ATOM 412 CB LEU A 27 1.453 6.565 0.587 1.00 0.51 C ATOM 413 CG LEU A 27 1.924 7.580 1.638 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.308 6.858 2.934 1.00 0.66 C ATOM 415 CD2 LEU A 27 3.129 8.358 1.106 1.00 1.93 C ATOM 0 H LEU A 27 3.305 6.422 -1.338 1.00 0.46 H new ATOM 0 HA LEU A 27 2.869 5.071 1.338 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.272 7.073 -0.360 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.506 6.125 0.899 1.00 0.51 H new ATOM 0 HG LEU A 27 1.110 8.274 1.846 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.641 7.588 3.672 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.443 6.319 3.320 1.00 0.66 H new ATOM 0 HD13 LEU A 27 3.114 6.153 2.732 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.458 9.077 1.857 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.941 7.665 0.886 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.847 8.887 0.196 1.00 1.93 H new ATOM 427 N LEU A 28 2.034 3.091 0.138 1.00 0.33 N ATOM 428 CA LEU A 28 1.445 1.910 -0.552 1.00 0.32 C ATOM 429 C LEU A 28 0.036 1.644 -0.017 1.00 0.29 C ATOM 430 O LEU A 28 -0.209 1.715 1.170 1.00 0.35 O ATOM 431 CB LEU A 28 2.381 0.744 -0.216 1.00 0.40 C ATOM 432 CG LEU A 28 2.371 -0.281 -1.354 1.00 0.53 C ATOM 433 CD1 LEU A 28 0.966 -0.868 -1.500 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.782 0.395 -2.663 1.00 0.73 C ATOM 0 H LEU A 28 2.543 2.884 0.998 1.00 0.33 H new ATOM 0 HA LEU A 28 1.356 2.058 -1.628 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.394 1.114 -0.058 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.066 0.270 0.714 1.00 0.40 H new ATOM 0 HG LEU A 28 3.077 -1.079 -1.125 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.959 -1.597 -2.310 1.00 1.12 H new ATOM 0 HD12 LEU A 28 0.677 -1.356 -0.569 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.259 -0.069 -1.725 1.00 1.12 H new ATOM 0 HD21 LEU A 28 2.773 -0.338 -3.469 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.081 1.197 -2.894 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.785 0.809 -2.560 1.00 0.73 H new ATOM 446 N VAL A 29 -0.894 1.346 -0.882 1.00 0.32 N ATOM 447 CA VAL A 29 -2.286 1.085 -0.414 1.00 0.32 C ATOM 448 C VAL A 29 -2.849 -0.172 -1.083 1.00 0.34 C ATOM 449 O VAL A 29 -2.735 -0.356 -2.279 1.00 0.47 O ATOM 450 CB VAL A 29 -3.088 2.318 -0.835 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.503 2.219 -0.265 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.411 3.583 -0.300 1.00 0.77 C ATOM 0 H VAL A 29 -0.752 1.272 -1.889 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.329 0.917 0.662 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.132 2.367 -1.923 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.077 3.096 -0.563 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.987 1.321 -0.648 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.454 2.170 0.823 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.985 4.459 -0.602 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.364 3.538 0.788 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.401 3.654 -0.705 1.00 0.77 H new ATOM 462 N GLU A 30 -3.457 -1.037 -0.318 1.00 0.32 N ATOM 463 CA GLU A 30 -4.031 -2.282 -0.908 1.00 0.39 C ATOM 464 C GLU A 30 -5.523 -2.387 -0.574 1.00 0.36 C ATOM 465 O GLU A 30 -5.917 -2.351 0.575 1.00 0.42 O ATOM 466 CB GLU A 30 -3.255 -3.425 -0.254 1.00 0.52 C ATOM 467 CG GLU A 30 -3.803 -4.764 -0.753 1.00 0.64 C ATOM 468 CD GLU A 30 -2.827 -5.882 -0.386 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.226 -5.793 0.672 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.696 -6.808 -1.169 1.00 1.48 O ATOM 0 H GLU A 30 -3.582 -0.937 0.689 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.946 -2.301 -1.995 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.195 -3.342 -0.492 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.343 -3.365 0.831 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.779 -4.958 -0.308 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.946 -4.731 -1.833 1.00 0.64 H new ATOM 477 N PHE A 31 -6.356 -2.517 -1.571 1.00 0.35 N ATOM 478 CA PHE A 31 -7.821 -2.627 -1.316 1.00 0.36 C ATOM 479 C PHE A 31 -8.232 -4.099 -1.222 1.00 0.39 C ATOM 480 O PHE A 31 -8.073 -4.852 -2.161 1.00 0.49 O ATOM 481 CB PHE A 31 -8.479 -1.978 -2.534 1.00 0.41 C ATOM 482 CG PHE A 31 -8.257 -0.486 -2.504 1.00 0.38 C ATOM 483 CD1 PHE A 31 -9.138 0.339 -1.794 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.175 0.073 -3.193 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.935 1.725 -1.774 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.971 1.457 -3.172 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.852 2.283 -2.463 1.00 0.53 C ATOM 0 H PHE A 31 -6.084 -2.552 -2.554 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.114 -2.149 -0.381 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -8.063 -2.398 -3.450 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.547 -2.195 -2.540 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.973 -0.093 -1.262 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.497 -0.564 -3.741 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.614 2.363 -1.227 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.135 1.888 -3.702 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.696 3.352 -2.448 1.00 0.53 H new ATOM 497 N TYR A 32 -8.766 -4.518 -0.106 1.00 0.37 N ATOM 498 CA TYR A 32 -9.185 -5.947 0.012 1.00 0.44 C ATOM 499 C TYR A 32 -10.464 -6.074 0.840 1.00 0.40 C ATOM 500 O TYR A 32 -11.109 -5.098 1.170 1.00 0.45 O ATOM 501 CB TYR A 32 -8.022 -6.665 0.705 1.00 0.54 C ATOM 502 CG TYR A 32 -7.874 -6.170 2.127 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.442 -4.861 2.375 1.00 0.58 C ATOM 504 CD2 TYR A 32 -8.170 -7.023 3.196 1.00 0.66 C ATOM 505 CE1 TYR A 32 -7.309 -4.406 3.692 1.00 0.67 C ATOM 506 CE2 TYR A 32 -8.037 -6.567 4.514 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.606 -5.259 4.762 1.00 0.77 C ATOM 508 OH TYR A 32 -7.475 -4.810 6.060 1.00 0.94 O ATOM 0 H TYR A 32 -8.929 -3.942 0.720 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.402 -6.379 -0.965 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.197 -7.741 0.703 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.098 -6.491 0.154 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -7.212 -4.203 1.550 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.501 -8.033 3.005 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.977 -3.396 3.883 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.267 -7.225 5.339 1.00 0.79 H new ATOM 0 HH TYR A 32 -8.314 -4.393 6.348 1.00 0.94 H new ATOM 518 N ALA A 33 -10.827 -7.277 1.176 1.00 0.40 N ATOM 519 CA ALA A 33 -12.061 -7.490 1.987 1.00 0.44 C ATOM 520 C ALA A 33 -11.861 -8.660 2.960 1.00 0.53 C ATOM 521 O ALA A 33 -10.963 -9.459 2.786 1.00 0.56 O ATOM 522 CB ALA A 33 -13.151 -7.823 0.967 1.00 0.49 C ATOM 0 H ALA A 33 -10.323 -8.127 0.925 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.316 -6.617 2.588 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -14.094 -7.994 1.485 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.265 -6.991 0.272 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.872 -8.721 0.416 1.00 0.49 H new ATOM 528 N PRO A 34 -12.708 -8.725 3.957 1.00 0.63 N ATOM 529 CA PRO A 34 -12.612 -9.817 4.959 1.00 0.78 C ATOM 530 C PRO A 34 -13.007 -11.164 4.339 1.00 0.82 C ATOM 531 O PRO A 34 -12.846 -12.204 4.945 1.00 0.96 O ATOM 532 CB PRO A 34 -13.607 -9.401 6.040 1.00 0.90 C ATOM 533 CG PRO A 34 -14.583 -8.513 5.338 1.00 0.81 C ATOM 534 CD PRO A 34 -13.822 -7.810 4.246 1.00 0.66 C ATOM 0 HA PRO A 34 -11.601 -9.952 5.344 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -14.103 -10.268 6.476 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -13.109 -8.876 6.855 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.406 -9.095 4.923 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -15.019 -7.793 6.031 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.444 -7.645 3.366 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.464 -6.833 4.571 1.00 0.66 H new ATOM 542 N TRP A 35 -13.523 -11.156 3.138 1.00 0.74 N ATOM 543 CA TRP A 35 -13.923 -12.441 2.493 1.00 0.83 C ATOM 544 C TRP A 35 -13.336 -12.537 1.078 1.00 0.78 C ATOM 545 O TRP A 35 -13.715 -13.387 0.299 1.00 0.92 O ATOM 546 CB TRP A 35 -15.450 -12.392 2.437 1.00 0.91 C ATOM 547 CG TRP A 35 -15.878 -11.204 1.638 1.00 0.87 C ATOM 548 CD1 TRP A 35 -16.158 -9.982 2.148 1.00 0.84 C ATOM 549 CD2 TRP A 35 -16.078 -11.101 0.198 1.00 1.25 C ATOM 550 NE1 TRP A 35 -16.516 -9.137 1.114 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.483 -9.781 -0.108 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.951 -12.017 -0.861 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -16.749 -9.382 -1.419 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -16.218 -11.620 -2.182 1.00 2.36 C ATOM 555 CH2 TRP A 35 -16.617 -10.305 -2.459 1.00 2.26 C ATOM 0 H TRP A 35 -13.684 -10.319 2.578 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.559 -13.309 3.043 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.838 -13.306 1.987 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.860 -12.334 3.445 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -16.110 -9.711 3.192 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.773 -8.158 1.238 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.646 -13.033 -0.658 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -17.055 -8.367 -1.628 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -16.115 -12.331 -2.988 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -16.822 -10.006 -3.476 1.00 2.26 H new ATOM 566 N CYS A 36 -12.415 -11.673 0.737 1.00 0.65 N ATOM 567 CA CYS A 36 -11.816 -11.726 -0.628 1.00 0.67 C ATOM 568 C CYS A 36 -10.977 -12.999 -0.791 1.00 0.84 C ATOM 569 O CYS A 36 -10.826 -13.776 0.130 1.00 1.63 O ATOM 570 CB CYS A 36 -10.936 -10.476 -0.718 1.00 0.58 C ATOM 571 SG CYS A 36 -9.625 -10.555 0.528 1.00 1.07 S ATOM 0 H CYS A 36 -12.054 -10.936 1.343 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.571 -11.749 -1.414 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.499 -10.399 -1.714 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -11.541 -9.583 -0.565 1.00 0.58 H new ATOM 576 N GLY A 37 -10.430 -13.217 -1.955 1.00 0.96 N ATOM 577 CA GLY A 37 -9.603 -14.439 -2.172 1.00 1.08 C ATOM 578 C GLY A 37 -8.175 -14.031 -2.536 1.00 1.00 C ATOM 579 O GLY A 37 -7.914 -12.899 -2.891 1.00 1.83 O ATOM 0 H GLY A 37 -10.519 -12.603 -2.765 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.599 -15.053 -1.271 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.033 -15.046 -2.969 1.00 1.08 H new ATOM 583 N HIS A 38 -7.245 -14.949 -2.451 1.00 0.89 N ATOM 584 CA HIS A 38 -5.827 -14.620 -2.793 1.00 0.97 C ATOM 585 C HIS A 38 -5.316 -13.467 -1.924 1.00 0.88 C ATOM 586 O HIS A 38 -4.333 -12.827 -2.242 1.00 1.13 O ATOM 587 CB HIS A 38 -5.856 -14.204 -4.262 1.00 1.32 C ATOM 588 CG HIS A 38 -4.684 -14.809 -4.982 1.00 1.72 C ATOM 589 ND1 HIS A 38 -3.374 -14.520 -4.634 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.607 -15.689 -6.033 1.00 2.35 C ATOM 591 CE1 HIS A 38 -2.571 -15.214 -5.461 1.00 2.85 C ATOM 592 NE2 HIS A 38 -3.273 -15.944 -6.334 1.00 2.87 N ATOM 0 H HIS A 38 -7.407 -15.913 -2.159 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.162 -15.466 -2.619 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.787 -14.531 -4.724 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.824 -13.118 -4.343 1.00 1.32 H new ATOM 0 HD1 HIS A 38 -3.073 -13.895 -3.886 1.00 2.39 H new ATOM 0 HD2 HIS A 38 -5.454 -16.118 -6.548 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -1.492 -15.185 -5.424 1.00 2.85 H new ATOM 600 N CYS A 39 -5.974 -13.196 -0.832 1.00 0.79 N ATOM 601 CA CYS A 39 -5.523 -12.083 0.053 1.00 0.88 C ATOM 602 C CYS A 39 -4.534 -12.606 1.099 1.00 0.82 C ATOM 603 O CYS A 39 -3.713 -11.872 1.611 1.00 1.00 O ATOM 604 CB CYS A 39 -6.795 -11.575 0.730 1.00 1.08 C ATOM 605 SG CYS A 39 -7.971 -11.018 -0.527 1.00 1.00 S ATOM 0 H CYS A 39 -6.804 -13.696 -0.513 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.013 -11.296 -0.502 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.239 -12.367 1.333 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.556 -10.755 1.407 1.00 1.08 H new ATOM 610 N LYS A 40 -4.609 -13.867 1.423 1.00 0.78 N ATOM 611 CA LYS A 40 -3.677 -14.433 2.439 1.00 0.94 C ATOM 612 C LYS A 40 -2.301 -14.686 1.816 1.00 0.84 C ATOM 613 O LYS A 40 -1.303 -14.771 2.506 1.00 0.94 O ATOM 614 CB LYS A 40 -4.317 -15.752 2.873 1.00 1.21 C ATOM 615 CG LYS A 40 -5.565 -15.465 3.709 1.00 1.56 C ATOM 616 CD LYS A 40 -6.614 -16.548 3.449 1.00 2.11 C ATOM 617 CE LYS A 40 -6.053 -17.913 3.854 1.00 2.72 C ATOM 618 NZ LYS A 40 -6.858 -18.323 5.039 1.00 3.29 N ATOM 0 H LYS A 40 -5.276 -14.531 1.028 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.525 -13.756 3.280 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.582 -16.345 1.998 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -3.606 -16.340 3.453 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.308 -15.439 4.768 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.968 -14.485 3.455 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.521 -16.334 4.015 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.890 -16.555 2.395 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.148 -18.635 3.043 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.993 -17.847 4.100 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -6.532 -19.252 5.376 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.743 -17.620 5.797 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -7.862 -18.384 4.773 1.00 3.29 H new ATOM 632 N ALA A 41 -2.240 -14.811 0.519 1.00 0.77 N ATOM 633 CA ALA A 41 -0.929 -15.062 -0.145 1.00 0.86 C ATOM 634 C ALA A 41 0.041 -13.909 0.132 1.00 0.75 C ATOM 635 O ALA A 41 1.184 -14.121 0.486 1.00 0.90 O ATOM 636 CB ALA A 41 -1.250 -15.146 -1.637 1.00 0.93 C ATOM 0 H ALA A 41 -3.041 -14.750 -0.110 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.451 -15.970 0.222 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.333 -15.330 -2.197 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -1.952 -15.961 -1.813 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.694 -14.207 -1.967 1.00 0.93 H new ATOM 642 N LEU A 42 -0.401 -12.690 -0.029 1.00 0.65 N ATOM 643 CA LEU A 42 0.505 -11.532 0.225 1.00 0.67 C ATOM 644 C LEU A 42 0.040 -10.747 1.454 1.00 0.63 C ATOM 645 O LEU A 42 0.116 -9.535 1.494 1.00 0.70 O ATOM 646 CB LEU A 42 0.408 -10.668 -1.032 1.00 0.82 C ATOM 647 CG LEU A 42 1.808 -10.193 -1.428 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.676 -11.403 -1.780 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.709 -9.266 -2.640 1.00 1.37 C ATOM 0 H LEU A 42 -1.346 -12.447 -0.324 1.00 0.65 H new ATOM 0 HA LEU A 42 1.529 -11.849 0.424 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.039 -11.239 -1.846 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.241 -9.812 -0.849 1.00 0.82 H new ATOM 0 HG LEU A 42 2.258 -9.653 -0.595 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.673 -11.066 -2.062 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.747 -12.063 -0.916 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.226 -11.943 -2.613 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.706 -8.928 -2.922 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.259 -9.804 -3.474 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.091 -8.404 -2.389 1.00 1.37 H new ATOM 661 N ALA A 43 -0.434 -11.428 2.460 1.00 0.71 N ATOM 662 CA ALA A 43 -0.897 -10.722 3.691 1.00 0.73 C ATOM 663 C ALA A 43 0.268 -10.546 4.675 1.00 0.67 C ATOM 664 O ALA A 43 0.494 -9.459 5.169 1.00 0.65 O ATOM 665 CB ALA A 43 -1.981 -11.620 4.287 1.00 0.88 C ATOM 0 H ALA A 43 -0.521 -12.444 2.484 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.277 -9.724 3.473 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.370 -11.165 5.198 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.790 -11.740 3.567 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.556 -12.596 4.522 1.00 0.88 H new ATOM 671 N PRO A 44 0.984 -11.618 4.928 1.00 0.69 N ATOM 672 CA PRO A 44 2.134 -11.558 5.851 1.00 0.70 C ATOM 673 C PRO A 44 3.399 -11.136 5.093 1.00 0.59 C ATOM 674 O PRO A 44 4.441 -10.920 5.680 1.00 0.65 O ATOM 675 CB PRO A 44 2.263 -12.992 6.348 1.00 0.83 C ATOM 676 CG PRO A 44 1.654 -13.849 5.275 1.00 0.84 C ATOM 677 CD PRO A 44 0.810 -12.968 4.382 1.00 0.76 C ATOM 0 HA PRO A 44 2.001 -10.838 6.659 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.307 -13.256 6.515 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.745 -13.126 7.297 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.434 -14.341 4.694 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.043 -14.635 5.719 1.00 0.84 H new ATOM 0 HD2 PRO A 44 1.140 -13.022 3.345 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.237 -13.272 4.400 1.00 0.76 H new ATOM 685 N GLU A 45 3.315 -11.011 3.794 1.00 0.53 N ATOM 686 CA GLU A 45 4.505 -10.598 3.004 1.00 0.46 C ATOM 687 C GLU A 45 4.507 -9.078 2.878 1.00 0.41 C ATOM 688 O GLU A 45 5.535 -8.433 2.927 1.00 0.47 O ATOM 689 CB GLU A 45 4.307 -11.255 1.637 1.00 0.48 C ATOM 690 CG GLU A 45 4.373 -12.777 1.784 1.00 0.61 C ATOM 691 CD GLU A 45 2.983 -13.373 1.559 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.672 -13.687 0.422 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.253 -13.506 2.527 1.00 1.83 O ATOM 0 H GLU A 45 2.470 -11.178 3.248 1.00 0.53 H new ATOM 0 HA GLU A 45 5.451 -10.893 3.458 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.345 -10.962 1.217 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.075 -10.913 0.943 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.079 -13.192 1.065 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.737 -13.041 2.777 1.00 0.61 H new ATOM 700 N TYR A 46 3.349 -8.508 2.728 1.00 0.43 N ATOM 701 CA TYR A 46 3.248 -7.034 2.610 1.00 0.48 C ATOM 702 C TYR A 46 3.516 -6.395 3.986 1.00 0.52 C ATOM 703 O TYR A 46 3.906 -5.248 4.082 1.00 0.69 O ATOM 704 CB TYR A 46 1.800 -6.811 2.112 1.00 0.64 C ATOM 705 CG TYR A 46 1.214 -5.529 2.661 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.635 -5.529 3.932 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.261 -4.351 1.908 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.099 -4.347 4.456 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.725 -3.167 2.430 1.00 1.38 C ATOM 710 CZ TYR A 46 0.144 -3.164 3.703 1.00 1.50 C ATOM 711 OH TYR A 46 -0.380 -1.993 4.219 1.00 1.95 O ATOM 0 H TYR A 46 2.460 -9.006 2.682 1.00 0.43 H new ATOM 0 HA TYR A 46 3.971 -6.580 1.932 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.790 -6.779 1.023 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.178 -7.654 2.412 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.601 -6.441 4.510 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.710 -4.355 0.926 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.349 -4.346 5.439 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.760 -2.257 1.850 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.864 -2.189 5.048 1.00 1.95 H new ATOM 721 N ALA A 47 3.306 -7.129 5.046 1.00 0.53 N ATOM 722 CA ALA A 47 3.547 -6.561 6.404 1.00 0.62 C ATOM 723 C ALA A 47 5.044 -6.554 6.717 1.00 0.58 C ATOM 724 O ALA A 47 5.536 -5.703 7.433 1.00 0.68 O ATOM 725 CB ALA A 47 2.802 -7.490 7.362 1.00 0.73 C ATOM 0 H ALA A 47 2.979 -8.095 5.030 1.00 0.53 H new ATOM 0 HA ALA A 47 3.202 -5.530 6.487 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.932 -7.137 8.385 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.741 -7.496 7.112 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.201 -8.500 7.273 1.00 0.73 H new ATOM 731 N LYS A 48 5.773 -7.495 6.186 1.00 0.51 N ATOM 732 CA LYS A 48 7.237 -7.544 6.451 1.00 0.55 C ATOM 733 C LYS A 48 7.946 -6.436 5.671 1.00 0.53 C ATOM 734 O LYS A 48 8.906 -5.854 6.134 1.00 0.65 O ATOM 735 CB LYS A 48 7.680 -8.920 5.957 1.00 0.60 C ATOM 736 CG LYS A 48 7.085 -10.002 6.860 1.00 1.03 C ATOM 737 CD LYS A 48 7.580 -9.801 8.294 1.00 1.41 C ATOM 738 CE LYS A 48 8.104 -11.130 8.844 1.00 1.92 C ATOM 739 NZ LYS A 48 6.909 -11.806 9.420 1.00 2.47 N ATOM 0 H LYS A 48 5.417 -8.233 5.579 1.00 0.51 H new ATOM 0 HA LYS A 48 7.476 -7.395 7.504 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.354 -9.071 4.928 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.768 -8.986 5.960 1.00 0.60 H new ATOM 0 HG2 LYS A 48 5.996 -9.957 6.830 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.373 -10.990 6.500 1.00 1.03 H new ATOM 0 HD2 LYS A 48 8.369 -9.050 8.316 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.769 -9.430 8.921 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.557 -11.732 8.056 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.870 -10.969 9.602 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 7.188 -12.726 9.817 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.503 -11.213 10.172 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 6.200 -11.952 8.674 1.00 2.47 H new ATOM 753 N ALA A 49 7.476 -6.138 4.492 1.00 0.47 N ATOM 754 CA ALA A 49 8.120 -5.064 3.686 1.00 0.50 C ATOM 755 C ALA A 49 8.157 -3.762 4.487 1.00 0.53 C ATOM 756 O ALA A 49 9.068 -2.968 4.363 1.00 0.65 O ATOM 757 CB ALA A 49 7.236 -4.911 2.448 1.00 0.55 C ATOM 0 H ALA A 49 6.675 -6.591 4.052 1.00 0.47 H new ATOM 0 HA ALA A 49 9.149 -5.304 3.420 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.646 -4.135 1.802 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.204 -5.856 1.905 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.227 -4.633 2.753 1.00 0.55 H new ATOM 763 N ALA A 50 7.174 -3.544 5.316 1.00 0.54 N ATOM 764 CA ALA A 50 7.152 -2.299 6.135 1.00 0.65 C ATOM 765 C ALA A 50 8.227 -2.375 7.221 1.00 0.65 C ATOM 766 O ALA A 50 8.703 -1.370 7.713 1.00 0.77 O ATOM 767 CB ALA A 50 5.757 -2.258 6.761 1.00 0.76 C ATOM 0 H ALA A 50 6.385 -4.174 5.462 1.00 0.54 H new ATOM 0 HA ALA A 50 7.354 -1.407 5.543 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.663 -1.367 7.381 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.005 -2.233 5.972 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.608 -3.145 7.376 1.00 0.76 H new ATOM 773 N GLY A 51 8.612 -3.564 7.599 1.00 0.59 N ATOM 774 CA GLY A 51 9.658 -3.712 8.651 1.00 0.69 C ATOM 775 C GLY A 51 11.026 -3.369 8.058 1.00 0.78 C ATOM 776 O GLY A 51 11.906 -2.884 8.741 1.00 0.90 O ATOM 0 H GLY A 51 8.247 -4.440 7.224 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.439 -3.055 9.493 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.661 -4.732 9.035 1.00 0.69 H new ATOM 780 N LYS A 52 11.210 -3.612 6.788 1.00 0.80 N ATOM 781 CA LYS A 52 12.521 -3.293 6.151 1.00 1.01 C ATOM 782 C LYS A 52 12.870 -1.824 6.395 1.00 1.12 C ATOM 783 O LYS A 52 13.996 -1.480 6.694 1.00 1.31 O ATOM 784 CB LYS A 52 12.310 -3.554 4.660 1.00 1.15 C ATOM 785 CG LYS A 52 12.104 -5.051 4.424 1.00 1.49 C ATOM 786 CD LYS A 52 13.457 -5.764 4.453 1.00 1.97 C ATOM 787 CE LYS A 52 13.249 -7.243 4.784 1.00 2.64 C ATOM 788 NZ LYS A 52 14.362 -7.952 4.095 1.00 3.08 N ATOM 0 H LYS A 52 10.511 -4.017 6.165 1.00 0.80 H new ATOM 0 HA LYS A 52 13.339 -3.890 6.555 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.444 -2.997 4.302 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.172 -3.202 4.094 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.447 -5.464 5.190 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.615 -5.215 3.463 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.954 -5.663 3.488 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.107 -5.302 5.196 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.278 -7.415 5.860 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.279 -7.594 4.431 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.287 -8.974 4.275 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 14.305 -7.776 3.072 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.273 -7.602 4.456 1.00 3.08 H new ATOM 802 N LEU A 53 11.903 -0.957 6.272 1.00 1.12 N ATOM 803 CA LEU A 53 12.160 0.494 6.498 1.00 1.33 C ATOM 804 C LEU A 53 12.776 0.706 7.884 1.00 1.30 C ATOM 805 O LEU A 53 13.843 1.267 8.019 1.00 1.50 O ATOM 806 CB LEU A 53 10.778 1.148 6.410 1.00 1.55 C ATOM 807 CG LEU A 53 10.865 2.614 6.839 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.344 3.508 5.711 1.00 1.82 C ATOM 809 CD2 LEU A 53 10.015 2.829 8.093 1.00 2.07 C ATOM 0 H LEU A 53 10.942 -1.192 6.024 1.00 1.12 H new ATOM 0 HA LEU A 53 12.858 0.917 5.776 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.399 1.081 5.390 1.00 1.55 H new ATOM 0 HB3 LEU A 53 10.073 0.615 7.048 1.00 1.55 H new ATOM 0 HG LEU A 53 11.903 2.868 7.054 1.00 1.47 H new ATOM 0 HD11 LEU A 53 10.406 4.552 6.016 1.00 1.82 H new ATOM 0 HD12 LEU A 53 10.948 3.355 4.817 1.00 1.82 H new ATOM 0 HD13 LEU A 53 9.306 3.254 5.495 1.00 1.82 H new ATOM 0 HD21 LEU A 53 10.076 3.873 8.399 1.00 2.07 H new ATOM 0 HD22 LEU A 53 8.977 2.574 7.877 1.00 2.07 H new ATOM 0 HD23 LEU A 53 10.385 2.193 8.897 1.00 2.07 H new ATOM 821 N LYS A 54 12.100 0.264 8.907 1.00 1.20 N ATOM 822 CA LYS A 54 12.616 0.429 10.303 1.00 1.35 C ATOM 823 C LYS A 54 14.111 0.096 10.389 1.00 1.40 C ATOM 824 O LYS A 54 14.869 0.768 11.060 1.00 1.67 O ATOM 825 CB LYS A 54 11.804 -0.562 11.136 1.00 1.46 C ATOM 826 CG LYS A 54 10.795 0.198 11.996 1.00 1.91 C ATOM 827 CD LYS A 54 9.443 -0.519 11.953 1.00 2.50 C ATOM 828 CE LYS A 54 8.717 -0.321 13.286 1.00 2.87 C ATOM 829 NZ LYS A 54 7.623 -1.332 13.282 1.00 3.88 N ATOM 0 H LYS A 54 11.200 -0.211 8.839 1.00 1.20 H new ATOM 0 HA LYS A 54 12.512 1.456 10.652 1.00 1.35 H new ATOM 0 HB2 LYS A 54 11.285 -1.263 10.482 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.468 -1.150 11.770 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.152 0.261 13.024 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.688 1.220 11.632 1.00 1.91 H new ATOM 0 HD2 LYS A 54 8.838 -0.127 11.135 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.589 -1.582 11.761 1.00 2.50 H new ATOM 0 HE2 LYS A 54 9.391 -0.472 14.129 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.320 0.690 13.373 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.079 -1.259 14.165 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 6.993 -1.159 12.472 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 8.032 -2.285 13.205 1.00 3.88 H new ATOM 843 N ALA A 55 14.539 -0.937 9.718 1.00 1.63 N ATOM 844 CA ALA A 55 15.982 -1.313 9.767 1.00 2.20 C ATOM 845 C ALA A 55 16.848 -0.214 9.142 1.00 2.03 C ATOM 846 O ALA A 55 18.036 -0.137 9.384 1.00 2.38 O ATOM 847 CB ALA A 55 16.083 -2.602 8.950 1.00 2.78 C ATOM 0 H ALA A 55 13.953 -1.538 9.138 1.00 1.63 H new ATOM 0 HA ALA A 55 16.335 -1.446 10.790 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.118 -2.945 8.938 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.452 -3.368 9.400 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.751 -2.413 7.929 1.00 2.78 H new ATOM 853 N GLU A 56 16.270 0.637 8.337 1.00 1.67 N ATOM 854 CA GLU A 56 17.074 1.723 7.701 1.00 1.70 C ATOM 855 C GLU A 56 16.534 3.098 8.100 1.00 1.53 C ATOM 856 O GLU A 56 17.255 3.942 8.593 1.00 1.98 O ATOM 857 CB GLU A 56 16.916 1.504 6.195 1.00 1.99 C ATOM 858 CG GLU A 56 17.553 0.168 5.804 1.00 2.69 C ATOM 859 CD GLU A 56 18.079 0.249 4.369 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.225 1.354 3.872 1.00 3.63 O ATOM 861 OE2 GLU A 56 18.327 -0.797 3.790 1.00 3.64 O ATOM 0 H GLU A 56 15.280 0.628 8.092 1.00 1.67 H new ATOM 0 HA GLU A 56 18.118 1.693 8.013 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.860 1.508 5.925 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.389 2.319 5.647 1.00 1.99 H new ATOM 0 HG2 GLU A 56 18.368 -0.072 6.487 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.820 -0.634 5.888 1.00 2.69 H new ATOM 868 N GLY A 57 15.273 3.327 7.881 1.00 1.58 N ATOM 869 CA GLY A 57 14.677 4.646 8.236 1.00 2.25 C ATOM 870 C GLY A 57 14.275 5.371 6.952 1.00 1.97 C ATOM 871 O GLY A 57 14.266 6.584 6.886 1.00 2.50 O ATOM 0 H GLY A 57 14.624 2.656 7.470 1.00 1.58 H new ATOM 0 HA2 GLY A 57 13.807 4.506 8.878 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.394 5.244 8.798 1.00 2.25 H new ATOM 875 N SER A 58 13.947 4.633 5.926 1.00 1.30 N ATOM 876 CA SER A 58 13.549 5.272 4.638 1.00 1.23 C ATOM 877 C SER A 58 12.357 6.205 4.850 1.00 1.03 C ATOM 878 O SER A 58 11.828 6.321 5.938 1.00 1.27 O ATOM 879 CB SER A 58 13.158 4.112 3.724 1.00 1.53 C ATOM 880 OG SER A 58 13.806 4.256 2.469 1.00 2.13 O ATOM 0 H SER A 58 13.937 3.613 5.924 1.00 1.30 H new ATOM 0 HA SER A 58 14.353 5.875 4.216 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.438 3.164 4.183 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.077 4.092 3.586 1.00 1.53 H new ATOM 0 HG SER A 58 13.687 3.438 1.943 1.00 2.13 H new ATOM 886 N GLU A 59 11.931 6.865 3.812 1.00 0.85 N ATOM 887 CA GLU A 59 10.770 7.791 3.937 1.00 0.87 C ATOM 888 C GLU A 59 9.555 7.206 3.213 1.00 0.76 C ATOM 889 O GLU A 59 8.797 7.913 2.578 1.00 1.06 O ATOM 890 CB GLU A 59 11.224 9.089 3.270 1.00 1.10 C ATOM 891 CG GLU A 59 11.553 8.818 1.799 1.00 1.05 C ATOM 892 CD GLU A 59 10.269 8.471 1.043 1.00 1.58 C ATOM 893 OE1 GLU A 59 9.344 9.266 1.089 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.232 7.417 0.431 1.00 2.13 O ATOM 0 H GLU A 59 12.337 6.804 2.878 1.00 0.85 H new ATOM 0 HA GLU A 59 10.475 7.952 4.974 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.440 9.843 3.346 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.100 9.487 3.782 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.024 9.694 1.354 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.267 7.998 1.720 1.00 1.05 H new ATOM 901 N ILE A 60 9.368 5.919 3.300 1.00 0.59 N ATOM 902 CA ILE A 60 8.209 5.280 2.616 1.00 0.57 C ATOM 903 C ILE A 60 7.268 4.663 3.653 1.00 0.52 C ATOM 904 O ILE A 60 7.584 4.587 4.823 1.00 0.63 O ATOM 905 CB ILE A 60 8.830 4.194 1.740 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.793 4.837 0.738 1.00 1.46 C ATOM 907 CG2 ILE A 60 7.738 3.436 0.986 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.087 4.024 0.682 1.00 1.60 C ATOM 0 H ILE A 60 9.971 5.279 3.818 1.00 0.59 H new ATOM 0 HA ILE A 60 7.620 5.989 2.034 1.00 0.57 H new ATOM 0 HB ILE A 60 9.373 3.493 2.374 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.333 4.878 -0.250 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.009 5.864 1.032 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.193 2.664 0.365 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.058 2.972 1.700 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.183 4.130 0.354 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.773 4.481 -0.031 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.548 4.006 1.669 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.863 3.005 0.368 1.00 1.60 H new ATOM 920 N ARG A 61 6.117 4.222 3.235 1.00 0.45 N ATOM 921 CA ARG A 61 5.161 3.609 4.204 1.00 0.45 C ATOM 922 C ARG A 61 4.129 2.750 3.470 1.00 0.41 C ATOM 923 O ARG A 61 3.735 3.048 2.360 1.00 0.55 O ATOM 924 CB ARG A 61 4.479 4.794 4.890 1.00 0.51 C ATOM 925 CG ARG A 61 5.287 5.203 6.124 1.00 0.75 C ATOM 926 CD ARG A 61 4.333 5.662 7.229 1.00 0.97 C ATOM 927 NE ARG A 61 5.147 5.632 8.477 1.00 1.30 N ATOM 928 CZ ARG A 61 4.673 5.060 9.551 1.00 1.66 C ATOM 929 NH1 ARG A 61 3.956 5.750 10.395 1.00 2.21 N ATOM 930 NH2 ARG A 61 4.917 3.798 9.778 1.00 2.19 N ATOM 0 H ARG A 61 5.794 4.258 2.268 1.00 0.45 H new ATOM 0 HA ARG A 61 5.664 2.955 4.917 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.401 5.633 4.198 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.463 4.525 5.180 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.888 4.363 6.473 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.979 6.006 5.869 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.951 6.664 7.030 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.469 5.001 7.305 1.00 0.97 H new ATOM 0 HE ARG A 61 6.074 6.058 8.492 1.00 1.30 H new ATOM 0 HH11 ARG A 61 3.766 6.736 10.216 1.00 2.21 H new ATOM 0 HH12 ARG A 61 3.586 5.303 11.234 1.00 2.21 H new ATOM 0 HH21 ARG A 61 5.477 3.260 9.117 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.547 3.350 10.616 1.00 2.19 H new ATOM 944 N LEU A 62 3.685 1.687 4.084 1.00 0.35 N ATOM 945 CA LEU A 62 2.676 0.809 3.425 1.00 0.36 C ATOM 946 C LEU A 62 1.311 0.978 4.099 1.00 0.32 C ATOM 947 O LEU A 62 1.218 1.409 5.233 1.00 0.38 O ATOM 948 CB LEU A 62 3.201 -0.615 3.617 1.00 0.48 C ATOM 949 CG LEU A 62 3.990 -1.040 2.377 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.219 -0.142 2.222 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.438 -2.495 2.530 1.00 1.22 C ATOM 0 H LEU A 62 3.978 1.388 5.014 1.00 0.35 H new ATOM 0 HA LEU A 62 2.541 1.051 2.371 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.838 -0.663 4.500 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.370 -1.301 3.785 1.00 0.48 H new ATOM 0 HG LEU A 62 3.357 -0.946 1.495 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.782 -0.444 1.339 1.00 1.59 H new ATOM 0 HD12 LEU A 62 4.901 0.895 2.112 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.852 -0.236 3.105 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.000 -2.797 1.646 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.071 -2.590 3.413 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.563 -3.135 2.640 1.00 1.22 H new ATOM 963 N ALA A 63 0.250 0.645 3.415 1.00 0.30 N ATOM 964 CA ALA A 63 -1.099 0.799 4.030 1.00 0.32 C ATOM 965 C ALA A 63 -2.114 -0.143 3.370 1.00 0.31 C ATOM 966 O ALA A 63 -1.881 -0.684 2.306 1.00 0.37 O ATOM 967 CB ALA A 63 -1.482 2.257 3.784 1.00 0.37 C ATOM 0 H ALA A 63 0.258 0.276 2.464 1.00 0.30 H new ATOM 0 HA ALA A 63 -1.091 0.548 5.091 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.467 2.451 4.209 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.748 2.911 4.256 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.505 2.451 2.712 1.00 0.37 H new ATOM 973 N LYS A 64 -3.243 -0.337 3.997 1.00 0.30 N ATOM 974 CA LYS A 64 -4.279 -1.240 3.416 1.00 0.32 C ATOM 975 C LYS A 64 -5.658 -0.584 3.502 1.00 0.32 C ATOM 976 O LYS A 64 -5.843 0.408 4.179 1.00 0.40 O ATOM 977 CB LYS A 64 -4.230 -2.500 4.278 1.00 0.38 C ATOM 978 CG LYS A 64 -2.925 -3.251 4.011 1.00 1.39 C ATOM 979 CD LYS A 64 -3.231 -4.575 3.306 1.00 1.60 C ATOM 980 CE LYS A 64 -3.393 -5.683 4.348 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.629 -6.838 3.799 1.00 2.26 N ATOM 0 H LYS A 64 -3.493 0.092 4.888 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.096 -1.458 2.364 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.300 -2.235 5.333 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -5.083 -3.140 4.053 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.263 -2.643 3.394 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.403 -3.439 4.949 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.142 -4.482 2.714 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.426 -4.826 2.615 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.001 -5.375 5.317 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -4.443 -5.937 4.495 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.761 -7.666 4.415 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.973 -7.059 2.843 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -1.618 -6.597 3.756 1.00 2.26 H new ATOM 995 N VAL A 65 -6.630 -1.130 2.824 1.00 0.30 N ATOM 996 CA VAL A 65 -7.996 -0.535 2.872 1.00 0.32 C ATOM 997 C VAL A 65 -9.052 -1.640 2.933 1.00 0.31 C ATOM 998 O VAL A 65 -8.949 -2.650 2.267 1.00 0.36 O ATOM 999 CB VAL A 65 -8.135 0.259 1.572 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.552 0.833 1.472 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.118 1.401 1.563 1.00 0.70 C ATOM 0 H VAL A 65 -6.538 -1.961 2.240 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.137 0.094 3.751 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.951 -0.398 0.722 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.651 1.399 0.546 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.276 0.018 1.479 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.739 1.491 2.321 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.216 1.968 0.637 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.302 2.059 2.412 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.110 0.991 1.633 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.071 -1.449 3.721 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.138 -2.483 3.817 1.00 0.39 C ATOM 1013 C ASP A 66 -12.262 -2.164 2.827 1.00 0.40 C ATOM 1014 O ASP A 66 -13.152 -1.388 3.112 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.647 -2.400 5.256 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.211 -3.649 6.025 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -11.781 -4.700 5.782 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.317 -3.534 6.846 1.00 1.38 O ATOM 0 H ASP A 66 -10.212 -0.623 4.302 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.773 -3.481 3.577 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.254 -1.506 5.741 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.734 -2.316 5.264 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.224 -2.754 1.661 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.286 -2.485 0.644 1.00 0.46 C ATOM 1025 C ALA A 67 -14.679 -2.592 1.273 1.00 0.51 C ATOM 1026 O ALA A 67 -15.627 -1.988 0.811 1.00 0.57 O ATOM 1027 CB ALA A 67 -13.095 -3.565 -0.420 1.00 0.51 C ATOM 0 H ALA A 67 -11.502 -3.412 1.368 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.209 -1.480 0.229 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.839 -3.437 -1.206 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -12.096 -3.481 -0.849 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.213 -4.549 0.035 1.00 0.51 H new ATOM 1033 N THR A 68 -14.810 -3.351 2.325 1.00 0.53 N ATOM 1034 CA THR A 68 -16.142 -3.489 2.981 1.00 0.62 C ATOM 1035 C THR A 68 -16.317 -2.415 4.061 1.00 0.64 C ATOM 1036 O THR A 68 -17.181 -2.513 4.910 1.00 0.86 O ATOM 1037 CB THR A 68 -16.137 -4.884 3.611 1.00 0.66 C ATOM 1038 OG1 THR A 68 -15.070 -4.979 4.545 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.964 -5.941 2.516 1.00 1.35 C ATOM 0 H THR A 68 -14.054 -3.881 2.759 1.00 0.53 H new ATOM 0 HA THR A 68 -16.961 -3.365 2.273 1.00 0.62 H new ATOM 0 HB THR A 68 -17.082 -5.054 4.127 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.315 -5.604 5.259 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.961 -6.934 2.966 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.788 -5.867 1.806 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.021 -5.775 1.996 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.508 -1.390 4.035 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.636 -0.315 5.059 1.00 0.61 C ATOM 1049 C GLU A 69 -15.262 1.038 4.447 1.00 0.57 C ATOM 1050 O GLU A 69 -15.980 2.009 4.581 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.649 -0.695 6.163 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.206 -0.252 7.518 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.060 -0.089 8.523 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.916 -0.245 8.126 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -14.348 0.190 9.675 1.00 2.22 O ATOM 0 H GLU A 69 -14.765 -1.251 3.350 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.654 -0.225 5.439 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.481 -1.772 6.161 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.684 -0.222 5.982 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.744 0.690 7.410 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.922 -0.987 7.885 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.146 1.108 3.775 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.733 2.398 3.155 1.00 0.57 C ATOM 1064 C GLU A 70 -14.003 2.364 1.649 1.00 0.72 C ATOM 1065 O GLU A 70 -13.184 2.775 0.851 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.234 2.507 3.433 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.991 2.430 4.942 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.798 1.515 5.222 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -9.846 1.563 4.462 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -10.857 0.779 6.195 1.00 1.97 O ATOM 0 H GLU A 70 -13.504 0.329 3.629 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.282 3.249 3.557 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.699 1.704 2.926 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.847 3.446 3.038 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.800 3.426 5.341 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.880 2.050 5.445 1.00 1.05 H new ATOM 1077 N SER A 71 -15.147 1.876 1.257 1.00 0.55 N ATOM 1078 CA SER A 71 -15.473 1.814 -0.196 1.00 0.66 C ATOM 1079 C SER A 71 -15.755 3.219 -0.735 1.00 0.70 C ATOM 1080 O SER A 71 -15.670 3.467 -1.921 1.00 0.94 O ATOM 1081 CB SER A 71 -16.728 0.945 -0.283 1.00 0.79 C ATOM 1082 OG SER A 71 -17.254 1.010 -1.602 1.00 1.48 O ATOM 0 H SER A 71 -15.871 1.517 1.880 1.00 0.55 H new ATOM 0 HA SER A 71 -14.653 1.406 -0.787 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.489 -0.087 -0.025 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.473 1.288 0.435 1.00 0.79 H new ATOM 0 HG SER A 71 -18.058 0.453 -1.661 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.088 4.140 0.128 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.373 5.528 -0.338 1.00 0.71 C ATOM 1090 C ASP A 72 -15.187 6.072 -1.138 1.00 0.68 C ATOM 1091 O ASP A 72 -15.327 6.979 -1.933 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.581 6.341 0.939 1.00 0.78 C ATOM 1093 CG ASP A 72 -18.050 6.757 1.046 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.610 7.143 0.033 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.589 6.682 2.138 1.00 1.83 O ATOM 0 H ASP A 72 -16.175 3.992 1.133 1.00 0.67 H new ATOM 0 HA ASP A 72 -17.243 5.573 -0.993 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.295 5.750 1.809 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.942 7.224 0.929 1.00 0.78 H new ATOM 1100 N LEU A 73 -14.018 5.525 -0.935 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.828 6.017 -1.690 1.00 0.68 C ATOM 1102 C LEU A 73 -12.250 4.898 -2.561 1.00 0.60 C ATOM 1103 O LEU A 73 -11.555 5.148 -3.525 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.814 6.467 -0.628 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.649 5.386 0.447 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -10.218 5.422 0.990 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -12.632 5.650 1.590 1.00 1.22 C ATOM 0 H LEU A 73 -13.836 4.763 -0.282 1.00 0.63 H new ATOM 0 HA LEU A 73 -13.085 6.836 -2.361 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.852 6.671 -1.098 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -12.148 7.397 -0.169 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.850 4.407 0.012 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -10.099 4.654 1.754 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -9.516 5.237 0.177 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -10.019 6.401 1.426 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -12.516 4.882 2.355 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -12.430 6.629 2.025 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -13.652 5.627 1.205 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.543 3.666 -2.244 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.019 2.543 -3.072 1.00 0.56 C ATOM 1121 C ALA A 74 -12.907 2.365 -4.302 1.00 0.59 C ATOM 1122 O ALA A 74 -12.433 2.269 -5.417 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.090 1.312 -2.169 1.00 0.60 C ATOM 0 H ALA A 74 -13.121 3.389 -1.450 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.003 2.718 -3.426 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.720 0.442 -2.711 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.477 1.475 -1.282 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.124 1.140 -1.869 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.197 2.336 -4.108 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.118 2.184 -5.266 1.00 0.76 C ATOM 1131 C GLN A 75 -14.952 3.384 -6.197 1.00 0.78 C ATOM 1132 O GLN A 75 -15.175 3.298 -7.388 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.522 2.161 -4.658 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.566 2.155 -5.775 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.795 1.365 -5.321 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.202 0.424 -5.973 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.407 1.708 -4.220 1.00 2.40 N ATOM 0 H GLN A 75 -14.651 2.411 -3.198 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.922 1.285 -5.850 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.642 1.279 -4.030 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.666 3.031 -4.017 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.850 3.177 -6.027 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.147 1.709 -6.677 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.066 2.498 -3.672 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.226 1.186 -3.908 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.549 4.504 -5.657 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.354 5.710 -6.506 1.00 0.84 C ATOM 1148 C GLN A 76 -13.278 5.433 -7.555 1.00 0.83 C ATOM 1149 O GLN A 76 -13.387 5.833 -8.696 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.889 6.801 -5.542 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.775 8.036 -5.702 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.224 9.174 -4.841 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.228 9.782 -5.181 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.833 9.490 -3.731 1.00 1.97 N ATOM 0 H GLN A 76 -14.347 4.633 -4.666 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.261 5.997 -7.038 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.936 6.438 -4.515 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.849 7.058 -5.742 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.808 8.340 -6.748 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -15.798 7.804 -5.406 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.669 8.980 -3.445 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -14.473 10.247 -3.149 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.241 4.743 -7.171 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.156 4.432 -8.140 1.00 0.81 C ATOM 1165 C TYR A 77 -11.663 3.441 -9.187 1.00 0.83 C ATOM 1166 O TYR A 77 -11.466 3.618 -10.373 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.043 3.805 -7.299 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.522 4.822 -6.312 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.243 6.128 -6.733 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -9.318 4.460 -4.974 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.761 7.071 -5.818 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.836 5.404 -4.059 1.00 1.56 C ATOM 1173 CZ TYR A 77 -8.553 6.707 -4.482 1.00 1.05 C ATOM 1174 OH TYR A 77 -8.082 7.638 -3.578 1.00 1.22 O ATOM 0 H TYR A 77 -12.099 4.381 -6.228 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.809 5.315 -8.677 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.421 2.930 -6.770 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.234 3.462 -7.945 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -9.400 6.408 -7.764 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.533 3.453 -4.648 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.550 8.079 -6.142 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.683 5.126 -3.027 1.00 1.56 H new ATOM 0 HH TYR A 77 -7.361 7.242 -3.046 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.310 2.398 -8.754 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.830 1.389 -9.716 1.00 0.87 C ATOM 1186 C GLY A 78 -12.165 0.050 -9.419 1.00 0.88 C ATOM 1187 O GLY A 78 -11.549 -0.559 -10.272 1.00 1.52 O ATOM 0 H GLY A 78 -12.502 2.200 -7.772 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.913 1.302 -9.626 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.619 1.698 -10.740 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.273 -0.405 -8.204 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.636 -1.695 -7.830 1.00 0.79 C ATOM 1193 C VAL A 79 -12.700 -2.780 -7.638 1.00 1.13 C ATOM 1194 O VAL A 79 -13.481 -2.738 -6.707 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.921 -1.401 -6.513 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.151 -2.640 -6.066 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.943 -0.239 -6.707 1.00 0.72 C ATOM 0 H VAL A 79 -12.777 0.063 -7.451 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.954 -2.062 -8.597 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.657 -1.133 -5.755 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.640 -2.431 -5.126 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -10.845 -3.469 -5.926 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.417 -2.906 -6.827 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.434 -0.031 -5.766 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.208 -0.505 -7.466 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.490 0.648 -7.027 1.00 0.72 H new ATOM 1207 N ARG A 80 -12.736 -3.749 -8.510 1.00 1.27 N ATOM 1208 CA ARG A 80 -13.749 -4.835 -8.376 1.00 1.72 C ATOM 1209 C ARG A 80 -13.060 -6.193 -8.194 1.00 1.38 C ATOM 1210 O ARG A 80 -13.679 -7.232 -8.321 1.00 1.87 O ATOM 1211 CB ARG A 80 -14.529 -4.806 -9.691 1.00 2.38 C ATOM 1212 CG ARG A 80 -15.719 -3.852 -9.561 1.00 2.85 C ATOM 1213 CD ARG A 80 -16.820 -4.275 -10.536 1.00 3.49 C ATOM 1214 NE ARG A 80 -16.843 -3.208 -11.574 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.970 -2.634 -11.897 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -18.805 -2.265 -10.964 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -18.263 -2.429 -13.153 1.00 5.25 N ATOM 0 H ARG A 80 -12.109 -3.837 -9.309 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.394 -4.691 -7.509 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -13.879 -4.484 -10.504 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.879 -5.808 -9.940 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -16.099 -3.864 -8.539 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -15.404 -2.830 -9.772 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -16.606 -5.249 -10.975 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -17.783 -4.357 -10.033 1.00 3.49 H new ATOM 0 HE ARG A 80 -15.977 -2.925 -12.033 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -18.577 -2.425 -9.983 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -19.686 -1.816 -11.216 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -17.611 -2.717 -13.882 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -19.144 -1.980 -13.405 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.786 -6.200 -7.900 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.074 -7.496 -7.716 1.00 0.81 C ATOM 1233 C GLY A 81 -9.973 -7.333 -6.665 1.00 0.74 C ATOM 1234 O GLY A 81 -9.066 -6.540 -6.818 1.00 1.17 O ATOM 0 H GLY A 81 -11.211 -5.366 -7.780 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.778 -8.268 -7.403 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.642 -7.823 -8.662 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.046 -8.081 -5.596 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.000 -7.970 -4.534 1.00 0.52 C ATOM 1240 C TYR A 82 -8.006 -9.139 -4.647 1.00 0.54 C ATOM 1241 O TYR A 82 -8.334 -10.160 -5.219 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.759 -8.045 -3.200 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.914 -7.063 -3.187 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.774 -5.817 -3.811 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.121 -7.397 -2.557 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.838 -4.905 -3.802 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.183 -6.485 -2.549 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.056 -5.256 -3.155 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.089 -4.340 -3.162 1.00 0.85 O ATOM 0 H TYR A 82 -10.782 -8.763 -5.411 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.427 -7.047 -4.622 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.133 -9.057 -3.045 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.080 -7.827 -2.376 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.846 -5.559 -4.299 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.232 -8.358 -2.078 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.734 -3.943 -4.282 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.111 -6.748 -2.063 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.860 -4.713 -2.685 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.814 -8.968 -4.101 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.420 -7.718 -3.405 1.00 0.51 C ATOM 1261 C PRO A 83 -5.803 -6.725 -4.394 1.00 0.51 C ATOM 1262 O PRO A 83 -4.834 -7.025 -5.065 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.375 -8.195 -2.405 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.803 -9.460 -2.985 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.722 -9.941 -4.086 1.00 0.64 C ATOM 0 HA PRO A 83 -7.259 -7.202 -2.938 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.598 -7.444 -2.262 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.823 -8.380 -1.429 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.803 -9.278 -3.379 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.707 -10.222 -2.212 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.207 -9.975 -5.046 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.089 -10.947 -3.885 1.00 0.64 H new ATOM 1273 N THR A 84 -6.350 -5.545 -4.488 1.00 0.45 N ATOM 1274 CA THR A 84 -5.784 -4.536 -5.430 1.00 0.45 C ATOM 1275 C THR A 84 -4.702 -3.719 -4.724 1.00 0.43 C ATOM 1276 O THR A 84 -4.960 -3.048 -3.744 1.00 0.52 O ATOM 1277 CB THR A 84 -6.965 -3.643 -5.818 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.159 -4.412 -5.827 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.725 -3.057 -7.209 1.00 0.56 C ATOM 0 H THR A 84 -7.163 -5.235 -3.955 1.00 0.45 H new ATOM 0 HA THR A 84 -5.323 -4.996 -6.304 1.00 0.45 H new ATOM 0 HB THR A 84 -7.061 -2.834 -5.094 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.130 -5.053 -6.568 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.566 -2.421 -7.486 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.809 -2.465 -7.202 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.628 -3.866 -7.933 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.490 -3.774 -5.203 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.398 -3.004 -4.542 1.00 0.41 C ATOM 1289 C ILE A 85 -1.882 -1.893 -5.460 1.00 0.41 C ATOM 1290 O ILE A 85 -1.418 -2.144 -6.554 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.295 -4.028 -4.275 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.851 -5.170 -3.421 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.145 -3.350 -3.531 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.259 -6.499 -3.898 1.00 1.27 C ATOM 0 H ILE A 85 -3.209 -4.316 -6.020 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.741 -2.519 -3.628 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.933 -4.428 -5.222 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.606 -5.006 -2.372 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.938 -5.197 -3.494 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.643 -4.078 -3.339 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.252 -2.537 -4.138 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.509 -2.951 -2.584 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.655 -7.313 -3.290 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.527 -6.663 -4.942 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.174 -6.469 -3.802 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.945 -0.669 -5.014 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.444 0.459 -5.849 1.00 0.40 C ATOM 1308 C LYS A 86 -0.314 1.178 -5.110 1.00 0.38 C ATOM 1309 O LYS A 86 -0.086 0.949 -3.940 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.641 1.394 -6.037 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.828 0.607 -6.597 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.467 1.397 -7.743 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.990 1.268 -7.666 1.00 1.37 C ATOM 1314 NZ LYS A 86 -6.276 -0.135 -8.082 1.00 1.73 N ATOM 0 H LYS A 86 -2.323 -0.401 -4.105 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.049 0.122 -6.807 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.912 1.850 -5.085 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.378 2.205 -6.716 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.496 -0.368 -6.954 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.562 0.426 -5.812 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.177 2.446 -7.682 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.108 1.022 -8.702 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -6.353 1.463 -6.657 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.481 1.984 -8.325 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.769 -0.132 -8.998 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.382 -0.660 -8.171 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.877 -0.593 -7.367 1.00 1.73 H new ATOM 1328 N PHE A 87 0.396 2.044 -5.775 1.00 0.37 N ATOM 1329 CA PHE A 87 1.508 2.765 -5.092 1.00 0.36 C ATOM 1330 C PHE A 87 1.422 4.269 -5.366 1.00 0.33 C ATOM 1331 O PHE A 87 1.503 4.708 -6.496 1.00 0.37 O ATOM 1332 CB PHE A 87 2.793 2.181 -5.695 1.00 0.42 C ATOM 1333 CG PHE A 87 4.033 2.657 -4.941 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.873 3.484 -3.821 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.329 2.282 -5.346 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.993 3.936 -3.113 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.446 2.735 -4.635 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.344 3.502 -3.590 1.00 0.72 C ATOM 0 H PHE A 87 0.257 2.284 -6.757 1.00 0.37 H new ATOM 0 HA PHE A 87 1.471 2.641 -4.010 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.746 1.092 -5.669 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.869 2.472 -6.743 1.00 0.42 H new ATOM 0 HD1 PHE A 87 2.882 3.774 -3.503 1.00 0.44 H new ATOM 0 HD2 PHE A 87 5.461 1.644 -6.207 1.00 0.81 H new ATOM 0 HE1 PHE A 87 4.886 4.577 -2.251 1.00 0.46 H new ATOM 0 HE2 PHE A 87 7.429 2.436 -4.967 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.232 3.825 -3.067 1.00 0.72 H new ATOM 1348 N PHE A 88 1.260 5.061 -4.340 1.00 0.33 N ATOM 1349 CA PHE A 88 1.172 6.534 -4.547 1.00 0.35 C ATOM 1350 C PHE A 88 2.520 7.193 -4.238 1.00 0.42 C ATOM 1351 O PHE A 88 3.383 6.601 -3.621 1.00 0.61 O ATOM 1352 CB PHE A 88 0.106 7.008 -3.559 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.264 6.767 -4.145 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.793 7.666 -5.078 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.006 5.646 -3.753 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.064 7.444 -5.621 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.278 5.425 -4.295 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.807 6.324 -5.229 1.00 0.62 C ATOM 0 H PHE A 88 1.185 4.752 -3.371 1.00 0.33 H new ATOM 0 HA PHE A 88 0.920 6.793 -5.575 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.208 6.475 -2.614 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.240 8.068 -3.343 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.221 8.531 -5.379 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.597 4.952 -3.033 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.471 8.137 -6.342 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.851 4.561 -3.993 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.788 6.153 -5.647 1.00 0.62 H new ATOM 1368 N ARG A 89 2.707 8.413 -4.665 1.00 0.47 N ATOM 1369 CA ARG A 89 4.003 9.105 -4.397 1.00 0.55 C ATOM 1370 C ARG A 89 3.765 10.584 -4.071 1.00 0.64 C ATOM 1371 O ARG A 89 3.261 11.335 -4.883 1.00 1.05 O ATOM 1372 CB ARG A 89 4.798 8.967 -5.695 1.00 0.73 C ATOM 1373 CG ARG A 89 6.194 8.420 -5.386 1.00 1.15 C ATOM 1374 CD ARG A 89 7.226 9.122 -6.272 1.00 1.42 C ATOM 1375 NE ARG A 89 7.729 10.258 -5.450 1.00 1.73 N ATOM 1376 CZ ARG A 89 8.525 11.146 -5.980 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.242 11.664 -7.144 1.00 2.56 N ATOM 1378 NH2 ARG A 89 9.604 11.517 -5.348 1.00 2.43 N ATOM 0 H ARG A 89 2.022 8.960 -5.186 1.00 0.47 H new ATOM 0 HA ARG A 89 4.529 8.675 -3.544 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.279 8.299 -6.382 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.877 9.935 -6.190 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.434 8.579 -4.335 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.221 7.344 -5.560 1.00 1.15 H new ATOM 0 HD2 ARG A 89 8.035 8.446 -6.548 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.775 9.475 -7.200 1.00 1.42 H new ATOM 0 HE ARG A 89 7.451 10.342 -4.472 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.399 11.375 -7.639 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.864 12.358 -7.558 1.00 2.56 H new ATOM 0 HH21 ARG A 89 9.827 11.113 -4.438 1.00 2.43 H new ATOM 0 HH22 ARG A 89 10.225 12.211 -5.764 1.00 2.43 H new ATOM 1392 N ASN A 90 4.128 11.007 -2.890 1.00 0.57 N ATOM 1393 CA ASN A 90 3.930 12.437 -2.509 1.00 0.68 C ATOM 1394 C ASN A 90 2.485 12.871 -2.777 1.00 0.69 C ATOM 1395 O ASN A 90 2.201 14.040 -2.943 1.00 0.98 O ATOM 1396 CB ASN A 90 4.896 13.223 -3.396 1.00 0.87 C ATOM 1397 CG ASN A 90 4.792 14.713 -3.068 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.649 15.535 -3.952 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.855 15.102 -1.823 1.00 1.74 N ATOM 0 H ASN A 90 4.554 10.423 -2.170 1.00 0.57 H new ATOM 0 HA ASN A 90 4.117 12.605 -1.449 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.917 12.875 -3.238 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.661 13.054 -4.447 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.784 16.094 -1.594 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.975 14.414 -1.079 1.00 1.74 H new ATOM 1406 N GLY A 91 1.572 11.942 -2.816 1.00 0.65 N ATOM 1407 CA GLY A 91 0.150 12.308 -3.068 1.00 0.75 C ATOM 1408 C GLY A 91 -0.027 12.731 -4.526 1.00 0.79 C ATOM 1409 O GLY A 91 0.167 13.878 -4.879 1.00 1.19 O ATOM 0 H GLY A 91 1.748 10.946 -2.685 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.498 11.460 -2.845 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.149 13.121 -2.406 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.402 11.816 -5.375 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.601 12.165 -6.809 1.00 1.27 C ATOM 1415 C ASP A 92 -2.097 12.279 -7.115 1.00 1.14 C ATOM 1416 O ASP A 92 -2.522 13.146 -7.854 1.00 1.70 O ATOM 1417 CB ASP A 92 0.021 11.008 -7.591 1.00 1.93 C ATOM 1418 CG ASP A 92 1.464 11.359 -7.963 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.755 12.538 -8.076 1.00 2.68 O ATOM 1420 OD2 ASP A 92 2.252 10.442 -8.127 1.00 2.41 O ATOM 0 H ASP A 92 -0.580 10.840 -5.138 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.146 13.120 -7.071 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.000 10.098 -6.992 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.560 10.810 -8.492 1.00 1.93 H new ATOM 1425 N THR A 93 -2.896 11.408 -6.541 1.00 0.96 N ATOM 1426 CA THR A 93 -4.380 11.440 -6.773 1.00 1.33 C ATOM 1427 C THR A 93 -4.708 11.717 -8.245 1.00 1.26 C ATOM 1428 O THR A 93 -5.519 12.566 -8.561 1.00 1.90 O ATOM 1429 CB THR A 93 -4.919 12.566 -5.881 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.938 13.582 -5.734 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.277 11.999 -4.506 1.00 1.92 C ATOM 0 H THR A 93 -2.580 10.668 -5.914 1.00 0.96 H new ATOM 0 HA THR A 93 -4.835 10.479 -6.532 1.00 1.33 H new ATOM 0 HB THR A 93 -5.808 12.994 -6.344 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.672 13.910 -6.618 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.660 12.798 -3.871 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.039 11.228 -4.618 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.387 11.567 -4.048 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.087 11.008 -9.146 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.367 11.236 -10.593 1.00 1.18 C ATOM 1441 C ALA A 94 -3.873 10.050 -11.422 1.00 1.14 C ATOM 1442 O ALA A 94 -4.584 9.517 -12.250 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.593 12.505 -10.951 1.00 1.24 C ATOM 0 H ALA A 94 -3.399 10.282 -8.945 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.433 11.339 -10.796 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.748 12.741 -12.004 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.948 13.333 -10.337 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.530 12.347 -10.767 1.00 1.24 H new ATOM 1449 N SER A 95 -2.659 9.633 -11.203 1.00 1.20 N ATOM 1450 CA SER A 95 -2.116 8.479 -11.975 1.00 1.22 C ATOM 1451 C SER A 95 -1.082 7.720 -11.131 1.00 0.98 C ATOM 1452 O SER A 95 0.106 7.837 -11.361 1.00 0.98 O ATOM 1453 CB SER A 95 -1.455 9.097 -13.206 1.00 1.48 C ATOM 1454 OG SER A 95 -0.387 9.939 -12.799 1.00 2.01 O ATOM 0 H SER A 95 -2.018 10.041 -10.523 1.00 1.20 H new ATOM 0 HA SER A 95 -2.892 7.764 -12.249 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.082 8.312 -13.864 1.00 1.48 H new ATOM 0 HB3 SER A 95 -2.187 9.670 -13.776 1.00 1.48 H new ATOM 0 HG SER A 95 0.281 9.409 -12.316 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.568 6.962 -10.178 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.664 6.180 -9.298 1.00 0.72 C ATOM 1462 C PRO A 96 -0.057 5.002 -10.068 1.00 0.65 C ATOM 1463 O PRO A 96 -0.540 4.617 -11.115 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.582 5.687 -8.184 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.950 5.672 -8.790 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.984 6.760 -9.830 1.00 1.02 C ATOM 0 HA PRO A 96 0.177 6.763 -8.921 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.290 4.694 -7.842 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.541 6.347 -7.317 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.162 4.702 -9.240 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.711 5.843 -8.028 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.571 6.463 -10.699 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.433 7.673 -9.439 1.00 1.02 H new ATOM 1474 N LYS A 97 0.999 4.429 -9.558 1.00 0.55 N ATOM 1475 CA LYS A 97 1.636 3.279 -10.258 1.00 0.57 C ATOM 1476 C LYS A 97 1.060 1.957 -9.744 1.00 0.53 C ATOM 1477 O LYS A 97 0.331 1.923 -8.772 1.00 0.89 O ATOM 1478 CB LYS A 97 3.120 3.387 -9.910 1.00 0.68 C ATOM 1479 CG LYS A 97 3.707 4.641 -10.561 1.00 0.85 C ATOM 1480 CD LYS A 97 4.861 5.168 -9.707 1.00 1.63 C ATOM 1481 CE LYS A 97 5.634 6.229 -10.494 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.002 7.523 -10.117 1.00 2.61 N ATOM 0 H LYS A 97 1.448 4.708 -8.686 1.00 0.55 H new ATOM 0 HA LYS A 97 1.462 3.301 -11.334 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.248 3.432 -8.829 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.651 2.501 -10.258 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.060 4.410 -11.566 1.00 0.85 H new ATOM 0 HG3 LYS A 97 2.937 5.406 -10.662 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.477 5.595 -8.781 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.525 4.350 -9.429 1.00 1.63 H new ATOM 0 HE2 LYS A 97 6.693 6.217 -10.237 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.564 6.053 -11.567 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 5.478 8.301 -10.617 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.996 7.507 -10.379 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.090 7.666 -9.091 1.00 2.61 H new ATOM 1496 N GLU A 98 1.382 0.869 -10.388 1.00 0.51 N ATOM 1497 CA GLU A 98 0.854 -0.450 -9.937 1.00 0.48 C ATOM 1498 C GLU A 98 2.005 -1.343 -9.468 1.00 0.45 C ATOM 1499 O GLU A 98 3.113 -1.253 -9.961 1.00 0.61 O ATOM 1500 CB GLU A 98 0.177 -1.049 -11.171 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.367 -2.438 -10.834 1.00 1.33 C ATOM 1502 CD GLU A 98 -1.853 -2.506 -11.196 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.514 -1.485 -11.093 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -2.304 -3.576 -11.569 1.00 2.61 O ATOM 0 H GLU A 98 1.988 0.836 -11.208 1.00 0.51 H new ATOM 0 HA GLU A 98 0.162 -0.356 -9.100 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.634 -0.401 -11.504 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.890 -1.116 -11.993 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.187 -3.200 -11.382 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.230 -2.646 -9.773 1.00 1.33 H new ATOM 1511 N TYR A 99 1.755 -2.205 -8.520 1.00 0.45 N ATOM 1512 CA TYR A 99 2.840 -3.099 -8.022 1.00 0.46 C ATOM 1513 C TYR A 99 2.962 -4.336 -8.918 1.00 0.53 C ATOM 1514 O TYR A 99 2.000 -5.040 -9.156 1.00 0.67 O ATOM 1515 CB TYR A 99 2.409 -3.497 -6.609 1.00 0.52 C ATOM 1516 CG TYR A 99 3.398 -4.485 -6.032 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.773 -4.265 -6.181 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.941 -5.619 -5.349 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.690 -5.178 -5.648 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.858 -6.532 -4.817 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.225 -6.318 -4.963 1.00 1.70 C ATOM 1522 OH TYR A 99 6.138 -7.211 -4.441 1.00 2.27 O ATOM 0 H TYR A 99 0.848 -2.329 -8.069 1.00 0.45 H new ATOM 0 HA TYR A 99 3.814 -2.609 -8.027 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.351 -2.613 -5.974 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.412 -3.938 -6.633 1.00 0.52 H new ATOM 0 HD1 TYR A 99 5.126 -3.390 -6.707 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.881 -5.789 -5.233 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.751 -5.009 -5.761 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.503 -7.406 -4.291 1.00 1.49 H new ATOM 0 HH TYR A 99 5.683 -8.049 -4.214 1.00 2.27 H new ATOM 1532 N THR A 100 4.139 -4.606 -9.412 1.00 0.60 N ATOM 1533 CA THR A 100 4.328 -5.796 -10.291 1.00 0.72 C ATOM 1534 C THR A 100 5.759 -6.326 -10.156 1.00 0.83 C ATOM 1535 O THR A 100 6.650 -5.922 -10.877 1.00 1.71 O ATOM 1536 CB THR A 100 4.078 -5.284 -11.711 1.00 0.93 C ATOM 1537 OG1 THR A 100 4.548 -3.947 -11.820 1.00 1.36 O ATOM 1538 CG2 THR A 100 2.580 -5.327 -12.016 1.00 1.13 C ATOM 0 H THR A 100 4.980 -4.053 -9.245 1.00 0.60 H new ATOM 0 HA THR A 100 3.658 -6.615 -10.030 1.00 0.72 H new ATOM 0 HB THR A 100 4.609 -5.916 -12.424 1.00 0.93 H new ATOM 0 HG1 THR A 100 4.390 -3.618 -12.729 1.00 1.36 H new ATOM 0 HG21 THR A 100 2.404 -4.962 -13.028 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.221 -6.353 -11.933 1.00 1.13 H new ATOM 0 HG23 THR A 100 2.046 -4.697 -11.305 1.00 1.13 H new ATOM 1546 N ALA A 101 5.987 -7.223 -9.235 1.00 0.83 N ATOM 1547 CA ALA A 101 7.363 -7.770 -9.055 1.00 1.01 C ATOM 1548 C ALA A 101 7.321 -9.296 -8.921 1.00 1.36 C ATOM 1549 O ALA A 101 7.545 -10.019 -9.871 1.00 1.98 O ATOM 1550 CB ALA A 101 7.878 -7.129 -7.765 1.00 0.87 C ATOM 0 H ALA A 101 5.282 -7.600 -8.601 1.00 0.83 H new ATOM 0 HA ALA A 101 8.007 -7.549 -9.906 1.00 1.01 H new ATOM 0 HB1 ALA A 101 8.889 -7.482 -7.562 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.888 -6.045 -7.876 1.00 0.87 H new ATOM 0 HB3 ALA A 101 7.225 -7.403 -6.937 1.00 0.87 H new ATOM 1556 N GLY A 102 7.039 -9.791 -7.747 1.00 1.17 N ATOM 1557 CA GLY A 102 6.987 -11.269 -7.553 1.00 1.71 C ATOM 1558 C GLY A 102 5.752 -11.634 -6.726 1.00 1.08 C ATOM 1559 O GLY A 102 4.635 -11.560 -7.198 1.00 1.27 O ATOM 0 H GLY A 102 6.842 -9.237 -6.914 1.00 1.17 H new ATOM 0 HA2 GLY A 102 6.952 -11.772 -8.519 1.00 1.71 H new ATOM 0 HA3 GLY A 102 7.890 -11.612 -7.048 1.00 1.71 H new ATOM 1563 N ARG A 103 5.943 -12.030 -5.496 1.00 0.90 N ATOM 1564 CA ARG A 103 4.774 -12.399 -4.647 1.00 1.11 C ATOM 1565 C ARG A 103 5.191 -12.508 -3.175 1.00 0.94 C ATOM 1566 O ARG A 103 4.796 -13.422 -2.479 1.00 1.04 O ATOM 1567 CB ARG A 103 4.317 -13.761 -5.173 1.00 1.71 C ATOM 1568 CG ARG A 103 2.812 -13.726 -5.441 1.00 2.44 C ATOM 1569 CD ARG A 103 2.483 -14.621 -6.640 1.00 3.16 C ATOM 1570 NE ARG A 103 2.837 -16.000 -6.199 1.00 3.73 N ATOM 1571 CZ ARG A 103 3.618 -16.740 -6.937 1.00 4.34 C ATOM 1572 NH1 ARG A 103 3.146 -17.326 -8.002 1.00 4.81 N ATOM 1573 NH2 ARG A 103 4.874 -16.891 -6.610 1.00 4.84 N ATOM 0 H ARG A 103 6.854 -12.114 -5.044 1.00 0.90 H new ATOM 0 HA ARG A 103 3.982 -11.652 -4.696 1.00 1.11 H new ATOM 0 HB2 ARG A 103 4.854 -14.008 -6.089 1.00 1.71 H new ATOM 0 HB3 ARG A 103 4.550 -14.540 -4.447 1.00 1.71 H new ATOM 0 HG2 ARG A 103 2.267 -14.066 -4.560 1.00 2.44 H new ATOM 0 HG3 ARG A 103 2.491 -12.703 -5.639 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.429 -14.550 -6.908 1.00 3.16 H new ATOM 0 HD3 ARG A 103 3.056 -14.329 -7.520 1.00 3.16 H new ATOM 0 HE ARG A 103 2.469 -16.365 -5.321 1.00 3.73 H new ATOM 0 HH11 ARG A 103 2.166 -17.206 -8.258 1.00 4.81 H new ATOM 0 HH12 ARG A 103 3.757 -17.904 -8.579 1.00 4.81 H new ATOM 0 HH21 ARG A 103 5.243 -16.430 -5.778 1.00 4.84 H new ATOM 0 HH22 ARG A 103 5.485 -17.469 -7.187 1.00 4.84 H new ATOM 1587 N GLU A 104 5.979 -11.585 -2.691 1.00 0.75 N ATOM 1588 CA GLU A 104 6.407 -11.648 -1.259 1.00 0.66 C ATOM 1589 C GLU A 104 6.908 -10.288 -0.782 1.00 0.56 C ATOM 1590 O GLU A 104 7.059 -9.358 -1.549 1.00 0.57 O ATOM 1591 CB GLU A 104 7.541 -12.678 -1.194 1.00 0.79 C ATOM 1592 CG GLU A 104 8.539 -12.449 -2.336 1.00 1.59 C ATOM 1593 CD GLU A 104 9.916 -12.975 -1.926 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.169 -13.053 -0.736 1.00 2.04 O ATOM 1595 OE2 GLU A 104 10.695 -13.290 -2.811 1.00 2.51 O ATOM 0 H GLU A 104 6.344 -10.793 -3.220 1.00 0.75 H new ATOM 0 HA GLU A 104 5.572 -11.927 -0.616 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.053 -12.604 -0.235 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.130 -13.685 -1.259 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.198 -12.957 -3.238 1.00 1.59 H new ATOM 0 HG3 GLU A 104 8.600 -11.387 -2.572 1.00 1.59 H new ATOM 1602 N ALA A 105 7.163 -10.173 0.489 1.00 0.50 N ATOM 1603 CA ALA A 105 7.654 -8.881 1.048 1.00 0.44 C ATOM 1604 C ALA A 105 8.872 -8.380 0.267 1.00 0.45 C ATOM 1605 O ALA A 105 8.955 -7.225 -0.102 1.00 0.47 O ATOM 1606 CB ALA A 105 8.049 -9.202 2.489 1.00 0.47 C ATOM 0 H ALA A 105 7.052 -10.923 1.171 1.00 0.50 H new ATOM 0 HA ALA A 105 6.898 -8.099 0.988 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.423 -8.300 2.973 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.178 -9.571 3.031 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.828 -9.964 2.492 1.00 0.47 H new ATOM 1612 N ASP A 106 9.823 -9.239 0.024 1.00 0.51 N ATOM 1613 CA ASP A 106 11.045 -8.813 -0.719 1.00 0.56 C ATOM 1614 C ASP A 106 10.674 -8.208 -2.073 1.00 0.54 C ATOM 1615 O ASP A 106 11.299 -7.277 -2.537 1.00 0.64 O ATOM 1616 CB ASP A 106 11.857 -10.093 -0.916 1.00 0.67 C ATOM 1617 CG ASP A 106 12.625 -10.412 0.368 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.993 -10.502 1.407 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.833 -10.563 0.290 1.00 1.82 O ATOM 0 H ASP A 106 9.808 -10.219 0.308 1.00 0.51 H new ATOM 0 HA ASP A 106 11.602 -8.049 -0.176 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.195 -10.920 -1.172 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.551 -9.972 -1.747 1.00 0.67 H new ATOM 1624 N ASP A 107 9.670 -8.733 -2.714 1.00 0.50 N ATOM 1625 CA ASP A 107 9.269 -8.192 -4.045 1.00 0.52 C ATOM 1626 C ASP A 107 8.744 -6.762 -3.912 1.00 0.51 C ATOM 1627 O ASP A 107 8.961 -5.929 -4.769 1.00 0.63 O ATOM 1628 CB ASP A 107 8.165 -9.128 -4.532 1.00 0.55 C ATOM 1629 CG ASP A 107 8.795 -10.386 -5.135 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.736 -10.245 -5.899 1.00 1.41 O ATOM 1631 OD2 ASP A 107 8.326 -11.468 -4.822 1.00 1.39 O ATOM 0 H ASP A 107 9.108 -9.514 -2.376 1.00 0.50 H new ATOM 0 HA ASP A 107 10.108 -8.149 -4.740 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.510 -9.397 -3.704 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.548 -8.624 -5.276 1.00 0.55 H new ATOM 1636 N ILE A 108 8.056 -6.471 -2.846 1.00 0.46 N ATOM 1637 CA ILE A 108 7.517 -5.095 -2.661 1.00 0.52 C ATOM 1638 C ILE A 108 8.661 -4.111 -2.406 1.00 0.50 C ATOM 1639 O ILE A 108 8.637 -2.982 -2.858 1.00 0.52 O ATOM 1640 CB ILE A 108 6.605 -5.188 -1.441 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.458 -6.156 -1.741 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.035 -3.806 -1.123 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.576 -6.297 -0.501 1.00 0.68 C ATOM 0 H ILE A 108 7.843 -7.126 -2.094 1.00 0.46 H new ATOM 0 HA ILE A 108 6.982 -4.738 -3.541 1.00 0.52 H new ATOM 0 HB ILE A 108 7.175 -5.550 -0.585 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.868 -5.789 -2.581 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.855 -7.129 -2.031 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.384 -3.873 -0.252 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.852 -3.115 -0.914 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.463 -3.443 -1.977 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.758 -6.986 -0.713 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.171 -6.683 0.327 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.169 -5.323 -0.231 1.00 0.68 H new ATOM 1655 N VAL A 109 9.671 -4.533 -1.696 1.00 0.51 N ATOM 1656 CA VAL A 109 10.819 -3.625 -1.425 1.00 0.56 C ATOM 1657 C VAL A 109 11.675 -3.520 -2.683 1.00 0.51 C ATOM 1658 O VAL A 109 12.221 -2.482 -3.000 1.00 0.55 O ATOM 1659 CB VAL A 109 11.600 -4.293 -0.292 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.875 -3.494 -0.014 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.737 -4.332 0.971 1.00 0.86 C ATOM 0 H VAL A 109 9.750 -5.466 -1.293 1.00 0.51 H new ATOM 0 HA VAL A 109 10.509 -2.617 -1.151 1.00 0.56 H new ATOM 0 HB VAL A 109 11.863 -5.310 -0.582 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.433 -3.968 0.793 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.490 -3.466 -0.913 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.611 -2.477 0.276 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.294 -4.808 1.778 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.473 -3.316 1.263 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.828 -4.900 0.773 1.00 0.86 H new ATOM 1671 N ASN A 110 11.777 -4.595 -3.411 1.00 0.50 N ATOM 1672 CA ASN A 110 12.576 -4.580 -4.665 1.00 0.52 C ATOM 1673 C ASN A 110 11.997 -3.545 -5.625 1.00 0.50 C ATOM 1674 O ASN A 110 12.696 -2.697 -6.143 1.00 0.59 O ATOM 1675 CB ASN A 110 12.419 -5.991 -5.230 1.00 0.59 C ATOM 1676 CG ASN A 110 13.747 -6.466 -5.820 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.280 -5.855 -6.725 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.307 -7.544 -5.339 1.00 1.29 N ATOM 0 H ASN A 110 11.338 -5.489 -3.189 1.00 0.50 H new ATOM 0 HA ASN A 110 13.622 -4.318 -4.505 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.096 -6.673 -4.444 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.646 -6.001 -5.998 1.00 0.59 H new ATOM 0 HD21 ASN A 110 15.193 -7.873 -5.723 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.859 -8.056 -4.579 1.00 1.29 H new ATOM 1685 N TRP A 111 10.715 -3.604 -5.855 1.00 0.46 N ATOM 1686 CA TRP A 111 10.075 -2.619 -6.769 1.00 0.51 C ATOM 1687 C TRP A 111 10.201 -1.215 -6.175 1.00 0.55 C ATOM 1688 O TRP A 111 10.313 -0.235 -6.884 1.00 0.66 O ATOM 1689 CB TRP A 111 8.608 -3.043 -6.843 1.00 0.55 C ATOM 1690 CG TRP A 111 8.080 -2.783 -8.217 1.00 0.58 C ATOM 1691 CD1 TRP A 111 8.292 -3.573 -9.293 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.257 -1.672 -8.679 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.654 -3.019 -10.388 1.00 0.84 N ATOM 1694 CE2 TRP A 111 7.001 -1.847 -10.060 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.714 -0.542 -8.042 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.234 -0.932 -10.783 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.940 0.379 -8.767 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.702 0.184 -10.134 1.00 1.14 C ATOM 0 H TRP A 111 10.082 -4.293 -5.449 1.00 0.46 H new ATOM 0 HA TRP A 111 10.538 -2.597 -7.756 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.512 -4.101 -6.600 1.00 0.55 H new ATOM 0 HB3 TRP A 111 8.022 -2.492 -6.107 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.866 -4.488 -9.297 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.664 -3.426 -11.323 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.893 -0.381 -6.989 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 6.053 -1.086 -11.837 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.526 1.243 -8.268 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.107 0.897 -10.686 1.00 1.14 H new ATOM 1709 N LEU A 112 10.190 -1.117 -4.874 1.00 0.55 N ATOM 1710 CA LEU A 112 10.315 0.216 -4.223 1.00 0.65 C ATOM 1711 C LEU A 112 11.748 0.738 -4.362 1.00 0.65 C ATOM 1712 O LEU A 112 11.971 1.893 -4.667 1.00 0.75 O ATOM 1713 CB LEU A 112 9.975 -0.029 -2.753 1.00 0.74 C ATOM 1714 CG LEU A 112 8.555 0.466 -2.467 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.550 -0.403 -3.227 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.277 0.375 -0.965 1.00 1.10 C ATOM 0 H LEU A 112 10.100 -1.905 -4.233 1.00 0.55 H new ATOM 0 HA LEU A 112 9.659 0.961 -4.675 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.054 -1.091 -2.523 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.688 0.490 -2.113 1.00 0.74 H new ATOM 0 HG LEU A 112 8.458 1.502 -2.792 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.538 -0.051 -3.024 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.749 -0.338 -4.297 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.646 -1.439 -2.902 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.266 0.727 -0.760 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.373 -0.661 -0.639 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.993 0.994 -0.424 1.00 1.10 H new ATOM 1728 N LYS A 113 12.722 -0.104 -4.141 1.00 0.62 N ATOM 1729 CA LYS A 113 14.138 0.350 -4.262 1.00 0.70 C ATOM 1730 C LYS A 113 14.661 0.136 -5.691 1.00 0.75 C ATOM 1731 O LYS A 113 15.772 0.508 -6.012 1.00 1.01 O ATOM 1732 CB LYS A 113 14.922 -0.506 -3.262 1.00 0.79 C ATOM 1733 CG LYS A 113 14.915 -1.973 -3.706 1.00 1.42 C ATOM 1734 CD LYS A 113 14.942 -2.877 -2.473 1.00 1.84 C ATOM 1735 CE LYS A 113 16.309 -3.555 -2.368 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.065 -2.744 -1.374 1.00 2.86 N ATOM 0 H LYS A 113 12.599 -1.083 -3.883 1.00 0.62 H new ATOM 0 HA LYS A 113 14.241 1.415 -4.054 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.948 -0.145 -3.188 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.480 -0.416 -2.270 1.00 0.79 H new ATOM 0 HG2 LYS A 113 14.026 -2.180 -4.303 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.779 -2.177 -4.339 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.745 -2.291 -1.575 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.156 -3.629 -2.543 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.212 -4.590 -2.041 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.817 -3.571 -3.332 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.015 -3.147 -1.247 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.147 -1.765 -1.715 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.561 -2.752 -0.464 1.00 2.86 H new ATOM 1750 N LYS A 114 13.876 -0.461 -6.548 1.00 0.71 N ATOM 1751 CA LYS A 114 14.341 -0.692 -7.946 1.00 0.89 C ATOM 1752 C LYS A 114 14.785 0.628 -8.582 1.00 1.07 C ATOM 1753 O LYS A 114 15.717 0.671 -9.361 1.00 1.31 O ATOM 1754 CB LYS A 114 13.122 -1.257 -8.677 1.00 0.92 C ATOM 1755 CG LYS A 114 13.520 -2.533 -9.419 1.00 1.45 C ATOM 1756 CD LYS A 114 12.655 -2.684 -10.671 1.00 1.77 C ATOM 1757 CE LYS A 114 13.326 -3.659 -11.640 1.00 2.49 C ATOM 1758 NZ LYS A 114 13.788 -2.814 -12.776 1.00 3.00 N ATOM 0 H LYS A 114 12.936 -0.798 -6.341 1.00 0.71 H new ATOM 0 HA LYS A 114 15.195 -1.368 -7.992 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.325 -1.471 -7.965 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.733 -0.521 -9.380 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.574 -2.493 -9.694 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.393 -3.399 -8.769 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.664 -3.048 -10.400 1.00 1.77 H new ATOM 0 HD3 LYS A 114 12.518 -1.715 -11.150 1.00 1.77 H new ATOM 0 HE2 LYS A 114 14.161 -4.175 -11.166 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.628 -4.425 -11.976 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 14.260 -3.412 -13.484 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 12.971 -2.341 -13.212 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 14.457 -2.098 -12.427 1.00 3.00 H new ATOM 1772 N ARG A 115 14.125 1.705 -8.256 1.00 1.09 N ATOM 1773 CA ARG A 115 14.511 3.022 -8.842 1.00 1.40 C ATOM 1774 C ARG A 115 15.193 3.895 -7.783 1.00 1.25 C ATOM 1775 O ARG A 115 15.902 4.829 -8.100 1.00 1.55 O ATOM 1776 CB ARG A 115 13.193 3.653 -9.294 1.00 1.86 C ATOM 1777 CG ARG A 115 13.137 3.676 -10.823 1.00 2.43 C ATOM 1778 CD ARG A 115 11.678 3.741 -11.281 1.00 2.92 C ATOM 1779 NE ARG A 115 11.737 4.251 -12.678 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.220 3.497 -13.627 1.00 3.99 C ATOM 1781 NH1 ARG A 115 11.496 2.535 -14.129 1.00 4.34 N ATOM 1782 NH2 ARG A 115 13.429 3.707 -14.074 1.00 4.52 N ATOM 0 H ARG A 115 13.336 1.731 -7.610 1.00 1.09 H new ATOM 0 HA ARG A 115 15.217 2.918 -9.666 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.351 3.086 -8.897 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.109 4.666 -8.901 1.00 1.86 H new ATOM 0 HG2 ARG A 115 13.687 4.536 -11.204 1.00 2.43 H new ATOM 0 HG3 ARG A 115 13.617 2.785 -11.228 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.207 2.759 -11.239 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.093 4.403 -10.643 1.00 2.92 H new ATOM 0 HE ARG A 115 11.400 5.189 -12.893 1.00 3.45 H new ATOM 0 HH11 ARG A 115 10.552 2.372 -13.780 1.00 4.34 H new ATOM 0 HH12 ARG A 115 11.874 1.946 -14.871 1.00 4.34 H new ATOM 0 HH21 ARG A 115 13.994 4.460 -13.681 1.00 4.52 H new ATOM 0 HH22 ARG A 115 13.808 3.118 -14.816 1.00 4.52 H new ATOM 1796 N THR A 116 14.983 3.599 -6.529 1.00 1.09 N ATOM 1797 CA THR A 116 15.621 4.413 -5.454 1.00 1.33 C ATOM 1798 C THR A 116 16.402 3.509 -4.496 1.00 1.97 C ATOM 1799 O THR A 116 16.241 3.576 -3.294 1.00 2.63 O ATOM 1800 CB THR A 116 14.458 5.089 -4.726 1.00 1.60 C ATOM 1801 OG1 THR A 116 13.488 4.110 -4.377 1.00 2.17 O ATOM 1802 CG2 THR A 116 13.822 6.138 -5.640 1.00 1.81 C ATOM 0 H THR A 116 14.398 2.830 -6.202 1.00 1.09 H new ATOM 0 HA THR A 116 16.330 5.139 -5.852 1.00 1.33 H new ATOM 0 HB THR A 116 14.827 5.575 -3.822 1.00 1.60 H new ATOM 0 HG1 THR A 116 12.742 4.541 -3.909 1.00 2.17 H new ATOM 0 HG21 THR A 116 12.993 6.619 -5.120 1.00 1.81 H new ATOM 0 HG22 THR A 116 14.567 6.888 -5.907 1.00 1.81 H new ATOM 0 HG23 THR A 116 13.452 5.656 -6.545 1.00 1.81 H new ATOM 1810 N GLY A 117 17.248 2.663 -5.019 1.00 2.26 N ATOM 1811 CA GLY A 117 18.038 1.759 -4.138 1.00 3.23 C ATOM 1812 C GLY A 117 19.527 1.880 -4.485 1.00 3.72 C ATOM 1813 O GLY A 117 19.894 2.633 -5.364 1.00 3.64 O ATOM 0 H GLY A 117 17.425 2.560 -6.018 1.00 2.26 H new ATOM 0 HA2 GLY A 117 17.875 2.019 -3.092 1.00 3.23 H new ATOM 0 HA3 GLY A 117 17.706 0.728 -4.265 1.00 3.23 H new ATOM 1817 N PRO A 118 20.343 1.133 -3.779 1.00 4.60 N ATOM 1818 CA PRO A 118 21.805 1.171 -4.027 1.00 5.37 C ATOM 1819 C PRO A 118 22.142 0.454 -5.337 1.00 5.55 C ATOM 1820 O PRO A 118 23.157 0.712 -5.953 1.00 5.89 O ATOM 1821 CB PRO A 118 22.395 0.425 -2.833 1.00 6.27 C ATOM 1822 CG PRO A 118 21.296 -0.474 -2.359 1.00 6.17 C ATOM 1823 CD PRO A 118 19.993 0.199 -2.698 1.00 5.22 C ATOM 0 HA PRO A 118 22.196 2.184 -4.124 1.00 5.37 H new ATOM 0 HB2 PRO A 118 23.277 -0.147 -3.121 1.00 6.27 H new ATOM 0 HB3 PRO A 118 22.706 1.116 -2.050 1.00 6.27 H new ATOM 0 HG2 PRO A 118 21.362 -1.449 -2.841 1.00 6.17 H new ATOM 0 HG3 PRO A 118 21.374 -0.643 -1.285 1.00 6.17 H new ATOM 0 HD2 PRO A 118 19.244 -0.523 -3.022 1.00 5.22 H new ATOM 0 HD3 PRO A 118 19.579 0.723 -1.837 1.00 5.22 H new ATOM 1831 N ALA A 119 21.299 -0.443 -5.767 1.00 5.74 N ATOM 1832 CA ALA A 119 21.573 -1.173 -7.038 1.00 6.37 C ATOM 1833 C ALA A 119 20.275 -1.755 -7.605 1.00 7.12 C ATOM 1834 O ALA A 119 19.194 -1.465 -7.130 1.00 7.52 O ATOM 1835 CB ALA A 119 22.537 -2.294 -6.648 1.00 6.62 C ATOM 0 H ALA A 119 20.433 -0.703 -5.295 1.00 5.74 H new ATOM 0 HA ALA A 119 21.991 -0.523 -7.807 1.00 6.37 H new ATOM 0 HB1 ALA A 119 22.789 -2.881 -7.531 1.00 6.62 H new ATOM 0 HB2 ALA A 119 23.445 -1.863 -6.227 1.00 6.62 H new ATOM 0 HB3 ALA A 119 22.065 -2.939 -5.907 1.00 6.62 H new ATOM 1841 N ALA A 120 20.373 -2.572 -8.616 1.00 7.64 N ATOM 1842 CA ALA A 120 19.144 -3.171 -9.213 1.00 8.64 C ATOM 1843 C ALA A 120 18.607 -4.285 -8.310 1.00 9.09 C ATOM 1844 O ALA A 120 19.414 -4.983 -7.719 1.00 9.37 O ATOM 1845 CB ALA A 120 19.596 -3.741 -10.558 1.00 9.17 C ATOM 1846 OXT ALA A 120 17.397 -4.421 -8.228 1.00 9.38 O ATOM 0 H ALA A 120 21.250 -2.852 -9.056 1.00 7.64 H new ATOM 0 HA ALA A 120 18.342 -2.442 -9.328 1.00 8.64 H new ATOM 0 HB1 ALA A 120 18.746 -4.201 -11.062 1.00 9.17 H new ATOM 0 HB2 ALA A 120 19.994 -2.938 -11.178 1.00 9.17 H new ATOM 0 HB3 ALA A 120 20.370 -4.491 -10.394 1.00 9.17 H new TER 1852 ALA A 120