USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 966 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 77 HIS HD1 : A 77 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -0.017 K(o=-1.8,f=-6) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 1.17 K(o=-1.8,f=-15!) USER MOD Set 1.3: A 100 HIS : +bothHN:sc= -2.97 K(o=-1.8,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.135 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.488 K(o=-0.49,f=-3!) USER MOD Single : A 13 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.82) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0123 (180deg=-0.27) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -141:sc= -0.0208 (180deg=-0.938!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.05 K(o=-1.1,f=-6!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0.207 (180deg=-0.0517) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.712) USER MOD Single : A 51 TYR OH : rot -129:sc= 0.821 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.632 K(o=0.63,f=-3.8!) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= 1.13 (180deg=0.718) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= -0.0151 (180deg=-0.12) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.131 (180deg=-0.627) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -27:sc= 0.335 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.15) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 102 GLN : amide:sc= -0.736 K(o=-0.74,f=-5.1!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.851 F(o=-3.5!,f=-0.85) USER MOD Single : A 113 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.15) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.754 X(o=-0.75,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.841 13.257 14.633 1.00 0.00 N ATOM 2 CA MET A 1 -13.685 14.071 14.191 1.00 0.00 C ATOM 3 C MET A 1 -13.149 13.532 12.872 1.00 0.00 C ATOM 4 O MET A 1 -13.811 12.723 12.218 1.00 0.00 O ATOM 5 CB MET A 1 -12.578 14.063 15.257 1.00 0.00 C ATOM 6 CG MET A 1 -11.880 12.719 15.418 1.00 0.00 C ATOM 7 SD MET A 1 -10.517 12.780 16.598 1.00 0.00 S ATOM 8 CE MET A 1 -9.826 11.141 16.393 1.00 0.00 C ATOM 0 H1 MET A 1 -15.661 13.876 14.793 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.074 12.557 13.900 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.601 12.765 15.517 1.00 0.00 H new ATOM 0 HA MET A 1 -14.016 15.100 14.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.835 14.818 14.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.009 14.354 16.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.606 11.974 15.745 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.502 12.392 14.449 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.970 11.021 17.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.582 10.394 16.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.504 11.008 15.360 1.00 0.00 H new ATOM 20 N ASP A 2 -11.961 13.984 12.479 1.00 0.00 N ATOM 21 CA ASP A 2 -11.310 13.474 11.282 1.00 0.00 C ATOM 22 C ASP A 2 -10.926 12.012 11.487 1.00 0.00 C ATOM 23 O ASP A 2 -10.089 11.676 12.325 1.00 0.00 O ATOM 24 CB ASP A 2 -10.092 14.337 10.897 1.00 0.00 C ATOM 25 CG ASP A 2 -9.070 14.505 12.011 1.00 0.00 C ATOM 26 OD1 ASP A 2 -9.442 14.990 13.104 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.878 14.202 11.783 1.00 0.00 O ATOM 0 H ASP A 2 -11.432 14.702 12.974 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.010 13.531 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.601 13.888 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.442 15.322 10.588 1.00 0.00 H new ATOM 32 N GLU A 3 -11.577 11.143 10.732 1.00 0.00 N ATOM 33 CA GLU A 3 -11.479 9.710 10.942 1.00 0.00 C ATOM 34 C GLU A 3 -10.480 9.083 9.972 1.00 0.00 C ATOM 35 O GLU A 3 -10.782 8.882 8.793 1.00 0.00 O ATOM 36 CB GLU A 3 -12.873 9.099 10.782 1.00 0.00 C ATOM 37 CG GLU A 3 -12.961 7.616 11.078 1.00 0.00 C ATOM 38 CD GLU A 3 -14.396 7.134 11.104 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.000 6.999 10.022 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.929 6.899 12.211 1.00 0.00 O ATOM 0 H GLU A 3 -12.186 11.411 9.959 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.110 9.508 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.562 9.627 11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.213 9.271 9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.404 7.061 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.490 7.408 12.039 1.00 0.00 H new ATOM 47 N LEU A 4 -9.290 8.775 10.475 1.00 0.00 N ATOM 48 CA LEU A 4 -8.208 8.282 9.631 1.00 0.00 C ATOM 49 C LEU A 4 -7.597 6.987 10.165 1.00 0.00 C ATOM 50 O LEU A 4 -6.780 6.357 9.492 1.00 0.00 O ATOM 51 CB LEU A 4 -7.132 9.367 9.489 1.00 0.00 C ATOM 52 CG LEU A 4 -6.639 10.015 10.796 1.00 0.00 C ATOM 53 CD1 LEU A 4 -5.709 9.086 11.565 1.00 0.00 C ATOM 54 CD2 LEU A 4 -5.937 11.329 10.503 1.00 0.00 C ATOM 0 H LEU A 4 -9.050 8.858 11.463 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.628 8.050 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.273 8.932 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.523 10.154 8.843 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.513 10.207 11.419 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.381 9.577 12.481 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.238 8.167 11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.841 8.849 10.950 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.594 11.775 11.437 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.082 11.147 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.630 12.010 10.009 1.00 0.00 H new ATOM 66 N ARG A 5 -7.997 6.591 11.366 1.00 0.00 N ATOM 67 CA ARG A 5 -7.402 5.439 12.024 1.00 0.00 C ATOM 68 C ARG A 5 -7.665 4.135 11.272 1.00 0.00 C ATOM 69 O ARG A 5 -6.796 3.266 11.221 1.00 0.00 O ATOM 70 CB ARG A 5 -7.910 5.338 13.458 1.00 0.00 C ATOM 71 CG ARG A 5 -7.296 6.369 14.398 1.00 0.00 C ATOM 72 CD ARG A 5 -5.789 6.190 14.525 1.00 0.00 C ATOM 73 NE ARG A 5 -5.201 7.134 15.481 1.00 0.00 N ATOM 74 CZ ARG A 5 -3.887 7.316 15.647 1.00 0.00 C ATOM 75 NH1 ARG A 5 -3.017 6.616 14.931 1.00 0.00 N ATOM 76 NH2 ARG A 5 -3.441 8.197 16.533 1.00 0.00 N ATOM 0 H ARG A 5 -8.731 7.052 11.903 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.322 5.589 12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.993 5.457 13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -7.698 4.339 13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.513 7.372 14.030 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.757 6.284 15.382 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.571 5.170 14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.324 6.327 13.549 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.836 7.688 16.057 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.349 5.934 14.249 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.016 6.760 15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.101 8.739 17.091 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.438 8.333 16.657 1.00 0.00 H new ATOM 90 N GLU A 6 -8.850 3.996 10.684 1.00 0.00 N ATOM 91 CA GLU A 6 -9.194 2.783 9.950 1.00 0.00 C ATOM 92 C GLU A 6 -8.446 2.720 8.621 1.00 0.00 C ATOM 93 O GLU A 6 -7.974 1.658 8.213 1.00 0.00 O ATOM 94 CB GLU A 6 -10.702 2.700 9.719 1.00 0.00 C ATOM 95 CG GLU A 6 -11.500 2.534 10.999 1.00 0.00 C ATOM 96 CD GLU A 6 -12.973 2.322 10.732 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.371 1.171 10.453 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.741 3.303 10.800 1.00 0.00 O ATOM 0 H GLU A 6 -9.584 4.704 10.701 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.890 1.927 10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.034 3.603 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.915 1.862 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.109 1.686 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.369 3.418 11.623 1.00 0.00 H new ATOM 105 N LEU A 7 -8.333 3.865 7.962 1.00 0.00 N ATOM 106 CA LEU A 7 -7.575 3.965 6.719 1.00 0.00 C ATOM 107 C LEU A 7 -6.118 3.571 6.957 1.00 0.00 C ATOM 108 O LEU A 7 -5.494 2.895 6.134 1.00 0.00 O ATOM 109 CB LEU A 7 -7.656 5.394 6.175 1.00 0.00 C ATOM 110 CG LEU A 7 -6.918 5.636 4.857 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.541 4.823 3.734 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.915 7.119 4.513 1.00 0.00 C ATOM 0 H LEU A 7 -8.757 4.741 8.267 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.004 3.282 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.706 5.653 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.255 6.074 6.927 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.885 5.310 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.001 5.010 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.485 3.762 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.585 5.113 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.386 7.273 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.942 7.472 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.415 7.675 5.306 1.00 0.00 H new ATOM 124 N LEU A 8 -5.598 3.987 8.107 1.00 0.00 N ATOM 125 CA LEU A 8 -4.230 3.679 8.508 1.00 0.00 C ATOM 126 C LEU A 8 -4.023 2.176 8.623 1.00 0.00 C ATOM 127 O LEU A 8 -2.981 1.644 8.228 1.00 0.00 O ATOM 128 CB LEU A 8 -3.939 4.332 9.858 1.00 0.00 C ATOM 129 CG LEU A 8 -2.475 4.318 10.290 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.647 5.186 9.360 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.345 4.791 11.730 1.00 0.00 C ATOM 0 H LEU A 8 -6.113 4.547 8.787 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.551 4.067 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.280 5.367 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.530 3.827 10.622 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.099 3.296 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.605 5.168 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.722 4.804 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.019 6.210 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.296 4.776 12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.731 5.807 11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.915 4.130 12.383 1.00 0.00 H new ATOM 143 N LYS A 9 -5.025 1.501 9.172 1.00 0.00 N ATOM 144 CA LYS A 9 -4.963 0.057 9.379 1.00 0.00 C ATOM 145 C LYS A 9 -4.744 -0.690 8.066 1.00 0.00 C ATOM 146 O LYS A 9 -4.042 -1.698 8.039 1.00 0.00 O ATOM 147 CB LYS A 9 -6.238 -0.454 10.056 1.00 0.00 C ATOM 148 CG LYS A 9 -6.441 0.094 11.458 1.00 0.00 C ATOM 149 CD LYS A 9 -7.603 -0.586 12.163 1.00 0.00 C ATOM 150 CE LYS A 9 -7.809 -0.018 13.555 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.794 -0.809 14.336 1.00 0.00 N ATOM 0 H LYS A 9 -5.895 1.932 9.484 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.111 -0.136 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.098 -0.187 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.205 -1.543 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.530 -0.046 12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.624 1.167 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.513 -0.458 11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.415 -1.658 12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.856 -0.000 14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.151 1.014 13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.906 -0.388 15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.710 -0.805 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.456 -1.788 14.431 1.00 0.00 H new ATOM 165 N ALA A 10 -5.337 -0.190 6.987 1.00 0.00 N ATOM 166 CA ALA A 10 -5.207 -0.825 5.677 1.00 0.00 C ATOM 167 C ALA A 10 -3.776 -0.718 5.159 1.00 0.00 C ATOM 168 O ALA A 10 -3.249 -1.664 4.573 1.00 0.00 O ATOM 169 CB ALA A 10 -6.185 -0.207 4.686 1.00 0.00 C ATOM 0 H ALA A 10 -5.912 0.652 6.992 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.447 -1.883 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.075 -0.691 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.204 -0.345 5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.977 0.858 4.585 1.00 0.00 H new ATOM 175 N GLU A 11 -3.147 0.429 5.386 1.00 0.00 N ATOM 176 CA GLU A 11 -1.747 0.614 5.019 1.00 0.00 C ATOM 177 C GLU A 11 -0.868 -0.350 5.806 1.00 0.00 C ATOM 178 O GLU A 11 0.044 -0.973 5.259 1.00 0.00 O ATOM 179 CB GLU A 11 -1.319 2.058 5.271 1.00 0.00 C ATOM 180 CG GLU A 11 -1.928 3.049 4.292 1.00 0.00 C ATOM 181 CD GLU A 11 -1.265 3.004 2.928 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.098 1.936 2.346 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.851 4.043 2.407 1.00 0.00 O ATOM 0 H GLU A 11 -3.582 1.243 5.821 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.630 0.402 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.601 2.341 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.232 2.122 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.992 2.838 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.843 4.056 4.700 1.00 0.00 H new ATOM 190 N GLN A 12 -1.166 -0.482 7.095 1.00 0.00 N ATOM 191 CA GLN A 12 -0.479 -1.448 7.951 1.00 0.00 C ATOM 192 C GLN A 12 -0.717 -2.869 7.447 1.00 0.00 C ATOM 193 O GLN A 12 0.191 -3.702 7.450 1.00 0.00 O ATOM 194 CB GLN A 12 -0.977 -1.328 9.390 1.00 0.00 C ATOM 195 CG GLN A 12 -0.669 0.004 10.052 1.00 0.00 C ATOM 196 CD GLN A 12 -1.340 0.132 11.404 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.425 -0.410 11.625 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.695 0.833 12.321 1.00 0.00 N ATOM 0 H GLN A 12 -1.880 0.068 7.572 1.00 0.00 H new ATOM 0 HA GLN A 12 0.589 -1.233 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.056 -1.485 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.532 -2.126 9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.409 0.110 10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.999 0.816 9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.201 1.265 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.093 0.942 13.254 1.00 0.00 H new ATOM 207 N GLN A 13 -1.942 -3.125 7.008 1.00 0.00 N ATOM 208 CA GLN A 13 -2.334 -4.423 6.490 1.00 0.00 C ATOM 209 C GLN A 13 -1.535 -4.790 5.244 1.00 0.00 C ATOM 210 O GLN A 13 -1.120 -5.938 5.079 1.00 0.00 O ATOM 211 CB GLN A 13 -3.835 -4.413 6.195 1.00 0.00 C ATOM 212 CG GLN A 13 -4.691 -4.710 7.415 1.00 0.00 C ATOM 213 CD GLN A 13 -4.418 -6.084 7.996 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.548 -6.251 8.852 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.169 -7.075 7.548 1.00 0.00 N ATOM 0 H GLN A 13 -2.692 -2.434 7.002 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.119 -5.183 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.113 -3.438 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.051 -5.149 5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.506 -3.953 8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.744 -4.637 7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.879 -6.896 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.038 -8.019 7.912 1.00 0.00 H new ATOM 224 N GLY A 14 -1.305 -3.811 4.384 1.00 0.00 N ATOM 225 CA GLY A 14 -0.476 -4.038 3.217 1.00 0.00 C ATOM 226 C GLY A 14 0.956 -4.333 3.608 1.00 0.00 C ATOM 227 O GLY A 14 1.589 -5.218 3.040 1.00 0.00 O ATOM 0 H GLY A 14 -1.676 -2.865 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.877 -4.872 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.505 -3.160 2.571 1.00 0.00 H new ATOM 231 N ILE A 15 1.457 -3.593 4.596 1.00 0.00 N ATOM 232 CA ILE A 15 2.789 -3.832 5.139 1.00 0.00 C ATOM 233 C ILE A 15 2.893 -5.255 5.688 1.00 0.00 C ATOM 234 O ILE A 15 3.901 -5.933 5.495 1.00 0.00 O ATOM 235 CB ILE A 15 3.134 -2.814 6.253 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.195 -1.399 5.676 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.453 -3.175 6.925 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.450 -0.328 6.713 1.00 0.00 C ATOM 0 H ILE A 15 0.957 -2.821 5.037 1.00 0.00 H new ATOM 0 HA ILE A 15 3.505 -3.706 4.327 1.00 0.00 H new ATOM 0 HB ILE A 15 2.348 -2.849 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.982 -1.357 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.255 -1.183 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.676 -2.446 7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.376 -4.168 7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.252 -3.169 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.480 0.648 6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.650 -0.341 7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.404 -0.518 7.205 1.00 0.00 H new ATOM 250 N LYS A 16 1.835 -5.704 6.352 1.00 0.00 N ATOM 251 CA LYS A 16 1.761 -7.052 6.867 1.00 0.00 C ATOM 252 C LYS A 16 1.872 -8.073 5.742 1.00 0.00 C ATOM 253 O LYS A 16 2.572 -9.082 5.867 1.00 0.00 O ATOM 254 CB LYS A 16 0.447 -7.226 7.612 1.00 0.00 C ATOM 255 CG LYS A 16 0.454 -6.604 8.992 1.00 0.00 C ATOM 256 CD LYS A 16 1.491 -7.257 9.890 1.00 0.00 C ATOM 257 CE LYS A 16 1.476 -6.656 11.287 1.00 0.00 C ATOM 258 NZ LYS A 16 0.147 -6.786 11.942 1.00 0.00 N ATOM 0 H LYS A 16 1.008 -5.139 6.545 1.00 0.00 H new ATOM 0 HA LYS A 16 2.595 -7.219 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.357 -6.782 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.226 -8.290 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.661 -5.537 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.534 -6.703 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.298 -8.328 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.482 -7.136 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.231 -7.148 11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.749 -5.602 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.240 -6.585 12.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.518 -6.110 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.211 -7.754 11.811 1.00 0.00 H new ATOM 272 N ILE A 17 1.182 -7.798 4.644 1.00 0.00 N ATOM 273 CA ILE A 17 1.243 -8.644 3.459 1.00 0.00 C ATOM 274 C ILE A 17 2.635 -8.597 2.839 1.00 0.00 C ATOM 275 O ILE A 17 3.211 -9.631 2.510 1.00 0.00 O ATOM 276 CB ILE A 17 0.175 -8.218 2.421 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.227 -8.468 2.980 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.368 -8.963 1.106 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.340 -8.014 2.061 1.00 0.00 C ATOM 0 H ILE A 17 0.568 -6.989 4.549 1.00 0.00 H new ATOM 0 HA ILE A 17 1.033 -9.669 3.764 1.00 0.00 H new ATOM 0 HB ILE A 17 0.290 -7.152 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.344 -9.533 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.324 -7.953 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.394 -8.647 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.356 -8.740 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.280 -10.036 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.304 -8.224 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.250 -6.943 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.270 -8.548 1.113 1.00 0.00 H new ATOM 291 N LEU A 18 3.180 -7.393 2.705 1.00 0.00 N ATOM 292 CA LEU A 18 4.523 -7.210 2.161 1.00 0.00 C ATOM 293 C LEU A 18 5.560 -7.941 3.013 1.00 0.00 C ATOM 294 O LEU A 18 6.503 -8.523 2.487 1.00 0.00 O ATOM 295 CB LEU A 18 4.864 -5.721 2.067 1.00 0.00 C ATOM 296 CG LEU A 18 3.991 -4.914 1.103 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.308 -3.432 1.208 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.187 -5.398 -0.326 1.00 0.00 C ATOM 0 H LEU A 18 2.711 -6.526 2.966 1.00 0.00 H new ATOM 0 HA LEU A 18 4.544 -7.636 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.782 -5.282 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.905 -5.621 1.760 1.00 0.00 H new ATOM 0 HG LEU A 18 2.947 -5.064 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.677 -2.875 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.119 -3.091 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.356 -3.266 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.559 -4.813 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.232 -5.278 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.911 -6.450 -0.395 1.00 0.00 H new ATOM 310 N LYS A 19 5.370 -7.912 4.328 1.00 0.00 N ATOM 311 CA LYS A 19 6.234 -8.621 5.251 1.00 0.00 C ATOM 312 C LYS A 19 6.148 -10.127 5.035 1.00 0.00 C ATOM 313 O LYS A 19 7.165 -10.822 5.034 1.00 0.00 O ATOM 314 CB LYS A 19 5.850 -8.261 6.678 1.00 0.00 C ATOM 315 CG LYS A 19 6.558 -7.021 7.192 1.00 0.00 C ATOM 316 CD LYS A 19 8.043 -7.272 7.402 1.00 0.00 C ATOM 317 CE LYS A 19 8.281 -8.279 8.516 1.00 0.00 C ATOM 318 NZ LYS A 19 9.721 -8.597 8.679 1.00 0.00 N ATOM 0 H LYS A 19 4.614 -7.396 4.778 1.00 0.00 H new ATOM 0 HA LYS A 19 7.266 -8.322 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.773 -8.104 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.081 -9.101 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.423 -6.204 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.105 -6.706 8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.486 -7.639 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.542 -6.334 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.889 -7.883 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.730 -9.194 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.839 -9.287 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.090 -8.999 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.244 -7.728 8.909 1.00 0.00 H new ATOM 332 N GLU A 20 4.929 -10.617 4.845 1.00 0.00 N ATOM 333 CA GLU A 20 4.691 -12.022 4.569 1.00 0.00 C ATOM 334 C GLU A 20 5.418 -12.447 3.292 1.00 0.00 C ATOM 335 O GLU A 20 6.082 -13.484 3.253 1.00 0.00 O ATOM 336 CB GLU A 20 3.185 -12.234 4.429 1.00 0.00 C ATOM 337 CG GLU A 20 2.636 -13.366 5.273 1.00 0.00 C ATOM 338 CD GLU A 20 3.103 -14.732 4.814 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.471 -15.311 3.908 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.097 -15.246 5.365 1.00 0.00 O ATOM 0 H GLU A 20 4.082 -10.050 4.878 1.00 0.00 H new ATOM 0 HA GLU A 20 5.076 -12.633 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.673 -11.311 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.953 -12.431 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.936 -13.216 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.547 -13.334 5.248 1.00 0.00 H new ATOM 347 N VAL A 21 5.301 -11.624 2.261 1.00 0.00 N ATOM 348 CA VAL A 21 5.969 -11.881 0.990 1.00 0.00 C ATOM 349 C VAL A 21 7.485 -11.783 1.142 1.00 0.00 C ATOM 350 O VAL A 21 8.222 -12.572 0.561 1.00 0.00 O ATOM 351 CB VAL A 21 5.502 -10.892 -0.098 1.00 0.00 C ATOM 352 CG1 VAL A 21 6.124 -11.231 -1.441 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.986 -10.886 -0.201 1.00 0.00 C ATOM 0 H VAL A 21 4.747 -10.768 2.278 1.00 0.00 H new ATOM 0 HA VAL A 21 5.702 -12.893 0.685 1.00 0.00 H new ATOM 0 HB VAL A 21 5.833 -9.894 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.779 -10.520 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.210 -11.178 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.830 -12.239 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.677 -10.182 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.635 -11.885 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.558 -10.586 0.755 1.00 0.00 H new ATOM 363 N LEU A 22 7.943 -10.813 1.927 1.00 0.00 N ATOM 364 CA LEU A 22 9.372 -10.616 2.158 1.00 0.00 C ATOM 365 C LEU A 22 9.970 -11.822 2.881 1.00 0.00 C ATOM 366 O LEU A 22 11.116 -12.205 2.636 1.00 0.00 O ATOM 367 CB LEU A 22 9.612 -9.338 2.966 1.00 0.00 C ATOM 368 CG LEU A 22 11.066 -8.859 3.014 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.578 -8.571 1.612 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.186 -7.620 3.884 1.00 0.00 C ATOM 0 H LEU A 22 7.344 -10.148 2.416 1.00 0.00 H new ATOM 0 HA LEU A 22 9.865 -10.514 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.998 -8.541 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.267 -9.503 3.987 1.00 0.00 H new ATOM 0 HG LEU A 22 11.676 -9.651 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.613 -8.232 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.524 -9.479 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.965 -7.795 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.225 -7.292 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.564 -6.825 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.855 -7.853 4.896 1.00 0.00 H new ATOM 382 N LYS A 23 9.189 -12.403 3.784 1.00 0.00 N ATOM 383 CA LYS A 23 9.585 -13.627 4.477 1.00 0.00 C ATOM 384 C LYS A 23 9.697 -14.770 3.483 1.00 0.00 C ATOM 385 O LYS A 23 10.717 -15.456 3.393 1.00 0.00 O ATOM 386 CB LYS A 23 8.518 -13.986 5.510 1.00 0.00 C ATOM 387 CG LYS A 23 8.855 -15.203 6.357 1.00 0.00 C ATOM 388 CD LYS A 23 7.649 -15.666 7.157 1.00 0.00 C ATOM 389 CE LYS A 23 7.907 -17.003 7.825 1.00 0.00 C ATOM 390 NZ LYS A 23 6.691 -17.529 8.496 1.00 0.00 N ATOM 0 H LYS A 23 8.273 -12.045 4.056 1.00 0.00 H new ATOM 0 HA LYS A 23 10.547 -13.466 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.363 -13.131 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.575 -14.166 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.201 -16.012 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.674 -14.962 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.405 -14.921 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.784 -15.747 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.250 -17.721 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.708 -16.895 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.908 -18.444 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.378 -16.856 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.935 -17.656 7.794 1.00 0.00 H new ATOM 404 N LYS A 24 8.629 -14.933 2.726 1.00 0.00 N ATOM 405 CA LYS A 24 8.528 -15.984 1.720 1.00 0.00 C ATOM 406 C LYS A 24 9.508 -15.775 0.566 1.00 0.00 C ATOM 407 O LYS A 24 9.837 -16.719 -0.151 1.00 0.00 O ATOM 408 CB LYS A 24 7.090 -16.079 1.207 1.00 0.00 C ATOM 409 CG LYS A 24 6.179 -16.869 2.135 1.00 0.00 C ATOM 410 CD LYS A 24 4.756 -16.929 1.614 1.00 0.00 C ATOM 411 CE LYS A 24 3.914 -17.929 2.396 1.00 0.00 C ATOM 412 NZ LYS A 24 3.852 -17.612 3.847 1.00 0.00 N ATOM 0 H LYS A 24 7.801 -14.340 2.788 1.00 0.00 H new ATOM 0 HA LYS A 24 8.800 -16.927 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.688 -15.074 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.091 -16.547 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.567 -17.881 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.184 -16.412 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.302 -15.940 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.765 -17.206 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.903 -17.945 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.327 -18.929 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.896 -18.493 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.655 -17.003 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.961 -17.117 4.057 1.00 0.00 H new ATOM 426 N ALA A 25 9.959 -14.542 0.382 1.00 0.00 N ATOM 427 CA ALA A 25 10.947 -14.225 -0.644 1.00 0.00 C ATOM 428 C ALA A 25 12.222 -15.036 -0.446 1.00 0.00 C ATOM 429 O ALA A 25 12.877 -15.414 -1.415 1.00 0.00 O ATOM 430 CB ALA A 25 11.262 -12.739 -0.640 1.00 0.00 C ATOM 0 H ALA A 25 9.655 -13.739 0.933 1.00 0.00 H new ATOM 0 HA ALA A 25 10.522 -14.490 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.001 -12.522 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.352 -12.174 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.660 -12.454 0.334 1.00 0.00 H new ATOM 436 N LYS A 26 12.563 -15.304 0.812 1.00 0.00 N ATOM 437 CA LYS A 26 13.732 -16.118 1.129 1.00 0.00 C ATOM 438 C LYS A 26 13.517 -17.567 0.699 1.00 0.00 C ATOM 439 O LYS A 26 14.470 -18.289 0.408 1.00 0.00 O ATOM 440 CB LYS A 26 14.073 -16.049 2.622 1.00 0.00 C ATOM 441 CG LYS A 26 14.621 -14.699 3.053 1.00 0.00 C ATOM 442 CD LYS A 26 15.211 -14.751 4.455 1.00 0.00 C ATOM 443 CE LYS A 26 14.138 -14.859 5.527 1.00 0.00 C ATOM 444 NZ LYS A 26 14.729 -14.991 6.886 1.00 0.00 N ATOM 0 H LYS A 26 12.047 -14.970 1.626 1.00 0.00 H new ATOM 0 HA LYS A 26 14.576 -15.712 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.178 -16.272 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.805 -16.822 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.387 -14.375 2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.824 -13.956 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.886 -15.604 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.808 -13.856 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.499 -13.977 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.503 -15.721 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.967 -15.062 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.319 -15.847 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.315 -14.157 7.092 1.00 0.00 H new ATOM 458 N GLU A 27 12.260 -17.992 0.685 1.00 0.00 N ATOM 459 CA GLU A 27 11.908 -19.324 0.214 1.00 0.00 C ATOM 460 C GLU A 27 11.952 -19.356 -1.312 1.00 0.00 C ATOM 461 O GLU A 27 12.465 -20.303 -1.913 1.00 0.00 O ATOM 462 CB GLU A 27 10.510 -19.703 0.714 1.00 0.00 C ATOM 463 CG GLU A 27 10.091 -21.119 0.361 1.00 0.00 C ATOM 464 CD GLU A 27 11.009 -22.160 0.958 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.810 -22.535 2.132 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.938 -22.612 0.261 1.00 0.00 O ATOM 0 H GLU A 27 11.466 -17.432 0.995 1.00 0.00 H new ATOM 0 HA GLU A 27 12.625 -20.046 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.478 -19.585 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.784 -19.005 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.074 -21.292 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.077 -21.231 -0.723 1.00 0.00 H new ATOM 473 N GLY A 28 11.407 -18.312 -1.928 1.00 0.00 N ATOM 474 CA GLY A 28 11.433 -18.196 -3.374 1.00 0.00 C ATOM 475 C GLY A 28 10.481 -19.161 -4.049 1.00 0.00 C ATOM 476 O GLY A 28 10.697 -19.559 -5.195 1.00 0.00 O ATOM 0 H GLY A 28 10.945 -17.540 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.174 -17.176 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.446 -18.379 -3.732 1.00 0.00 H new ATOM 480 N ASP A 29 9.429 -19.543 -3.339 1.00 0.00 N ATOM 481 CA ASP A 29 8.448 -20.473 -3.882 1.00 0.00 C ATOM 482 C ASP A 29 7.593 -19.789 -4.937 1.00 0.00 C ATOM 483 O ASP A 29 6.916 -18.797 -4.660 1.00 0.00 O ATOM 484 CB ASP A 29 7.564 -21.044 -2.776 1.00 0.00 C ATOM 485 CG ASP A 29 6.670 -22.158 -3.282 1.00 0.00 C ATOM 486 OD1 ASP A 29 5.597 -21.861 -3.848 1.00 0.00 O ATOM 487 OD2 ASP A 29 7.040 -23.340 -3.122 1.00 0.00 O ATOM 0 H ASP A 29 9.233 -19.225 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 29 8.988 -21.297 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.192 -21.421 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.949 -20.248 -2.356 1.00 0.00 H new ATOM 492 N GLU A 30 7.630 -20.336 -6.145 1.00 0.00 N ATOM 493 CA GLU A 30 6.957 -19.741 -7.297 1.00 0.00 C ATOM 494 C GLU A 30 5.448 -19.678 -7.094 1.00 0.00 C ATOM 495 O GLU A 30 4.805 -18.681 -7.433 1.00 0.00 O ATOM 496 CB GLU A 30 7.269 -20.553 -8.553 1.00 0.00 C ATOM 497 CG GLU A 30 8.753 -20.711 -8.825 1.00 0.00 C ATOM 498 CD GLU A 30 9.031 -21.635 -9.989 1.00 0.00 C ATOM 499 OE1 GLU A 30 9.024 -22.869 -9.787 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.255 -21.135 -11.111 1.00 0.00 O ATOM 0 H GLU A 30 8.125 -21.202 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 30 7.326 -18.722 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.819 -21.541 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.801 -20.072 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.188 -19.733 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.244 -21.098 -7.932 1.00 0.00 H new ATOM 507 N GLN A 31 4.891 -20.743 -6.531 1.00 0.00 N ATOM 508 CA GLN A 31 3.447 -20.859 -6.367 1.00 0.00 C ATOM 509 C GLN A 31 2.948 -19.854 -5.340 1.00 0.00 C ATOM 510 O GLN A 31 1.934 -19.177 -5.548 1.00 0.00 O ATOM 511 CB GLN A 31 3.077 -22.276 -5.928 1.00 0.00 C ATOM 512 CG GLN A 31 3.627 -23.362 -6.840 1.00 0.00 C ATOM 513 CD GLN A 31 3.008 -23.358 -8.226 1.00 0.00 C ATOM 514 OE1 GLN A 31 2.586 -22.324 -8.739 1.00 0.00 O ATOM 515 NE2 GLN A 31 2.958 -24.525 -8.843 1.00 0.00 N ATOM 0 H GLN A 31 5.419 -21.541 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 31 2.973 -20.649 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.447 -22.442 -4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.991 -22.363 -5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.706 -23.237 -6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.457 -24.334 -6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.319 -25.361 -8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.558 -24.590 -9.779 1.00 0.00 H new ATOM 524 N GLU A 32 3.678 -19.764 -4.237 1.00 0.00 N ATOM 525 CA GLU A 32 3.356 -18.825 -3.172 1.00 0.00 C ATOM 526 C GLU A 32 3.439 -17.385 -3.673 1.00 0.00 C ATOM 527 O GLU A 32 2.510 -16.600 -3.482 1.00 0.00 O ATOM 528 CB GLU A 32 4.310 -19.017 -1.991 1.00 0.00 C ATOM 529 CG GLU A 32 3.615 -19.433 -0.706 1.00 0.00 C ATOM 530 CD GLU A 32 2.952 -20.788 -0.805 1.00 0.00 C ATOM 531 OE1 GLU A 32 3.622 -21.806 -0.533 1.00 0.00 O ATOM 532 OE2 GLU A 32 1.753 -20.846 -1.143 1.00 0.00 O ATOM 0 H GLU A 32 4.504 -20.335 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 32 2.335 -19.021 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.051 -19.772 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.850 -18.086 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.343 -19.449 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.865 -18.686 -0.447 1.00 0.00 H new ATOM 539 N LEU A 33 4.542 -17.056 -4.338 1.00 0.00 N ATOM 540 CA LEU A 33 4.782 -15.696 -4.812 1.00 0.00 C ATOM 541 C LEU A 33 3.700 -15.243 -5.790 1.00 0.00 C ATOM 542 O LEU A 33 3.294 -14.082 -5.779 1.00 0.00 O ATOM 543 CB LEU A 33 6.160 -15.585 -5.465 1.00 0.00 C ATOM 544 CG LEU A 33 7.347 -15.800 -4.521 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.660 -15.673 -5.278 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.301 -14.817 -3.360 1.00 0.00 C ATOM 0 H LEU A 33 5.287 -17.715 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 33 4.749 -15.038 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.222 -16.314 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.251 -14.598 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 33 7.280 -16.809 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.492 -15.829 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.698 -16.421 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.733 -14.678 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.154 -14.989 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.339 -13.798 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.377 -14.959 -2.799 1.00 0.00 H new ATOM 558 N ALA A 34 3.231 -16.163 -6.627 1.00 0.00 N ATOM 559 CA ALA A 34 2.189 -15.847 -7.595 1.00 0.00 C ATOM 560 C ALA A 34 0.900 -15.434 -6.891 1.00 0.00 C ATOM 561 O ALA A 34 0.239 -14.476 -7.294 1.00 0.00 O ATOM 562 CB ALA A 34 1.941 -17.032 -8.513 1.00 0.00 C ATOM 0 H ALA A 34 3.555 -17.130 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 34 2.528 -15.006 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.160 -16.780 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.859 -17.277 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.626 -17.891 -7.921 1.00 0.00 H new ATOM 568 N ARG A 35 0.553 -16.158 -5.835 1.00 0.00 N ATOM 569 CA ARG A 35 -0.622 -15.832 -5.039 1.00 0.00 C ATOM 570 C ARG A 35 -0.404 -14.525 -4.292 1.00 0.00 C ATOM 571 O ARG A 35 -1.281 -13.663 -4.249 1.00 0.00 O ATOM 572 CB ARG A 35 -0.921 -16.952 -4.038 1.00 0.00 C ATOM 573 CG ARG A 35 -2.086 -16.642 -3.106 1.00 0.00 C ATOM 574 CD ARG A 35 -3.372 -16.368 -3.869 1.00 0.00 C ATOM 575 NE ARG A 35 -4.285 -15.524 -3.100 1.00 0.00 N ATOM 576 CZ ARG A 35 -5.420 -15.014 -3.579 1.00 0.00 C ATOM 577 NH1 ARG A 35 -5.872 -15.387 -4.770 1.00 0.00 N ATOM 578 NH2 ARG A 35 -6.110 -14.142 -2.851 1.00 0.00 N ATOM 0 H ARG A 35 1.069 -16.975 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.472 -15.724 -5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.139 -17.869 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.029 -17.142 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.240 -17.481 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.838 -15.776 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.137 -15.882 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.862 -17.312 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.037 -15.311 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.350 -16.067 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.741 -14.994 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.771 -13.865 -1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.979 -13.749 -3.214 1.00 0.00 H new ATOM 592 N LEU A 36 0.780 -14.396 -3.717 1.00 0.00 N ATOM 593 CA LEU A 36 1.140 -13.221 -2.932 1.00 0.00 C ATOM 594 C LEU A 36 1.030 -11.941 -3.754 1.00 0.00 C ATOM 595 O LEU A 36 0.499 -10.939 -3.277 1.00 0.00 O ATOM 596 CB LEU A 36 2.560 -13.362 -2.387 1.00 0.00 C ATOM 597 CG LEU A 36 2.758 -14.471 -1.353 1.00 0.00 C ATOM 598 CD1 LEU A 36 4.226 -14.584 -0.967 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.899 -14.217 -0.121 1.00 0.00 C ATOM 0 H LEU A 36 1.518 -15.098 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 36 0.437 -13.153 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.236 -13.543 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.855 -12.413 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 36 2.445 -15.415 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.348 -15.378 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.818 -14.816 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.564 -13.639 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.055 -15.017 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.178 -13.264 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.848 -14.188 -0.410 1.00 0.00 H new ATOM 611 N ASN A 37 1.535 -11.978 -4.985 1.00 0.00 N ATOM 612 CA ASN A 37 1.487 -10.809 -5.869 1.00 0.00 C ATOM 613 C ASN A 37 0.047 -10.358 -6.075 1.00 0.00 C ATOM 614 O ASN A 37 -0.277 -9.176 -5.941 1.00 0.00 O ATOM 615 CB ASN A 37 2.125 -11.125 -7.228 1.00 0.00 C ATOM 616 CG ASN A 37 2.347 -9.876 -8.068 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.625 -8.799 -7.540 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.230 -10.011 -9.381 1.00 0.00 N ATOM 0 H ASN A 37 1.981 -12.799 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 37 2.051 -10.006 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.079 -11.628 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.485 -11.818 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.372 -9.206 -9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.998 -10.920 -9.782 1.00 0.00 H new ATOM 625 N GLN A 38 -0.818 -11.317 -6.378 1.00 0.00 N ATOM 626 CA GLN A 38 -2.231 -11.059 -6.587 1.00 0.00 C ATOM 627 C GLN A 38 -2.878 -10.494 -5.324 1.00 0.00 C ATOM 628 O GLN A 38 -3.713 -9.588 -5.393 1.00 0.00 O ATOM 629 CB GLN A 38 -2.909 -12.362 -6.992 1.00 0.00 C ATOM 630 CG GLN A 38 -3.652 -12.290 -8.312 1.00 0.00 C ATOM 631 CD GLN A 38 -4.994 -11.592 -8.196 1.00 0.00 C ATOM 632 OE1 GLN A 38 -6.011 -12.228 -7.920 1.00 0.00 O ATOM 633 NE2 GLN A 38 -5.008 -10.287 -8.409 1.00 0.00 N ATOM 0 H GLN A 38 -0.556 -12.297 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.348 -10.317 -7.376 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.155 -13.147 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.609 -12.653 -6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.036 -11.764 -9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.805 -13.300 -8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.142 -9.798 -8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.885 -9.770 -8.347 1.00 0.00 H new ATOM 642 N GLU A 39 -2.480 -11.029 -4.178 1.00 0.00 N ATOM 643 CA GLU A 39 -3.029 -10.599 -2.900 1.00 0.00 C ATOM 644 C GLU A 39 -2.654 -9.142 -2.622 1.00 0.00 C ATOM 645 O GLU A 39 -3.482 -8.359 -2.147 1.00 0.00 O ATOM 646 CB GLU A 39 -2.512 -11.508 -1.781 1.00 0.00 C ATOM 647 CG GLU A 39 -3.334 -11.441 -0.506 1.00 0.00 C ATOM 648 CD GLU A 39 -4.751 -11.945 -0.698 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.974 -13.172 -0.593 1.00 0.00 O ATOM 650 OE2 GLU A 39 -5.652 -11.123 -0.951 1.00 0.00 O ATOM 0 H GLU A 39 -1.776 -11.764 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.116 -10.671 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.498 -12.537 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.481 -11.236 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.844 -12.031 0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.364 -10.411 -0.151 1.00 0.00 H new ATOM 657 N ILE A 40 -1.409 -8.781 -2.934 1.00 0.00 N ATOM 658 CA ILE A 40 -0.937 -7.409 -2.766 1.00 0.00 C ATOM 659 C ILE A 40 -1.771 -6.448 -3.607 1.00 0.00 C ATOM 660 O ILE A 40 -2.271 -5.440 -3.106 1.00 0.00 O ATOM 661 CB ILE A 40 0.548 -7.255 -3.169 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.440 -8.152 -2.309 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.989 -5.802 -3.053 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.898 -8.139 -2.726 1.00 0.00 C ATOM 0 H ILE A 40 -0.709 -9.423 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.040 -7.170 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 40 0.649 -7.565 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.366 -7.834 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.066 -9.175 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.037 -5.716 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.379 -5.183 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.867 -5.466 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.469 -8.797 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.985 -8.486 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.289 -7.124 -2.651 1.00 0.00 H new ATOM 676 N VAL A 41 -1.929 -6.781 -4.885 1.00 0.00 N ATOM 677 CA VAL A 41 -2.683 -5.942 -5.808 1.00 0.00 C ATOM 678 C VAL A 41 -4.115 -5.751 -5.317 1.00 0.00 C ATOM 679 O VAL A 41 -4.643 -4.641 -5.332 1.00 0.00 O ATOM 680 CB VAL A 41 -2.706 -6.542 -7.230 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.512 -5.666 -8.179 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.293 -6.728 -7.754 1.00 0.00 C ATOM 0 H VAL A 41 -1.544 -7.627 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.181 -4.975 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.188 -7.518 -7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.512 -6.111 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.537 -5.585 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.065 -4.673 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.330 -7.152 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.787 -5.763 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.746 -7.403 -7.095 1.00 0.00 H new ATOM 692 N LYS A 42 -4.729 -6.840 -4.863 1.00 0.00 N ATOM 693 CA LYS A 42 -6.101 -6.791 -4.368 1.00 0.00 C ATOM 694 C LYS A 42 -6.202 -5.891 -3.137 1.00 0.00 C ATOM 695 O LYS A 42 -7.164 -5.139 -2.985 1.00 0.00 O ATOM 696 CB LYS A 42 -6.595 -8.196 -4.019 1.00 0.00 C ATOM 697 CG LYS A 42 -8.104 -8.288 -3.846 1.00 0.00 C ATOM 698 CD LYS A 42 -8.521 -9.604 -3.208 1.00 0.00 C ATOM 699 CE LYS A 42 -8.601 -9.491 -1.688 1.00 0.00 C ATOM 700 NZ LYS A 42 -7.298 -9.124 -1.069 1.00 0.00 N ATOM 0 H LYS A 42 -4.300 -7.765 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.728 -6.378 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.285 -8.886 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.112 -8.523 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.450 -7.459 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.588 -8.186 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.490 -9.909 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.808 -10.382 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.348 -8.743 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.940 -10.441 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.358 -9.242 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.549 -9.740 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.075 -8.133 -1.292 1.00 0.00 H new ATOM 714 N ALA A 43 -5.203 -5.974 -2.263 1.00 0.00 N ATOM 715 CA ALA A 43 -5.191 -5.183 -1.037 1.00 0.00 C ATOM 716 C ALA A 43 -5.058 -3.697 -1.346 1.00 0.00 C ATOM 717 O ALA A 43 -5.814 -2.878 -0.818 1.00 0.00 O ATOM 718 CB ALA A 43 -4.067 -5.640 -0.123 1.00 0.00 C ATOM 0 H ALA A 43 -4.392 -6.581 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.141 -5.337 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.071 -5.040 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.211 -6.690 0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.111 -5.519 -0.633 1.00 0.00 H new ATOM 724 N GLU A 44 -4.107 -3.363 -2.211 1.00 0.00 N ATOM 725 CA GLU A 44 -3.912 -1.982 -2.644 1.00 0.00 C ATOM 726 C GLU A 44 -5.171 -1.457 -3.323 1.00 0.00 C ATOM 727 O GLU A 44 -5.596 -0.332 -3.078 1.00 0.00 O ATOM 728 CB GLU A 44 -2.724 -1.888 -3.604 1.00 0.00 C ATOM 729 CG GLU A 44 -1.374 -2.138 -2.950 1.00 0.00 C ATOM 730 CD GLU A 44 -0.751 -0.883 -2.366 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.044 -0.160 -3.088 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.909 -0.607 -1.178 1.00 0.00 O ATOM 0 H GLU A 44 -3.457 -4.030 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.704 -1.371 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.864 -2.609 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.717 -0.898 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.492 -2.879 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.694 -2.564 -3.687 1.00 0.00 H new ATOM 739 N LYS A 45 -5.770 -2.299 -4.159 1.00 0.00 N ATOM 740 CA LYS A 45 -6.985 -1.948 -4.884 1.00 0.00 C ATOM 741 C LYS A 45 -8.110 -1.584 -3.914 1.00 0.00 C ATOM 742 O LYS A 45 -8.815 -0.595 -4.110 1.00 0.00 O ATOM 743 CB LYS A 45 -7.413 -3.120 -5.772 1.00 0.00 C ATOM 744 CG LYS A 45 -8.677 -2.865 -6.575 1.00 0.00 C ATOM 745 CD LYS A 45 -9.070 -4.092 -7.380 1.00 0.00 C ATOM 746 CE LYS A 45 -10.339 -3.856 -8.181 1.00 0.00 C ATOM 747 NZ LYS A 45 -10.765 -5.082 -8.906 1.00 0.00 N ATOM 0 H LYS A 45 -5.428 -3.240 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.779 -1.079 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.601 -3.356 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.565 -3.999 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.490 -2.592 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.521 -2.020 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.258 -4.359 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.216 -4.937 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.137 -3.532 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.174 -3.049 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.634 -4.884 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.013 -5.376 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.946 -5.844 -8.222 1.00 0.00 H new ATOM 761 N GLN A 46 -8.268 -2.384 -2.867 1.00 0.00 N ATOM 762 CA GLN A 46 -9.288 -2.125 -1.860 1.00 0.00 C ATOM 763 C GLN A 46 -8.967 -0.842 -1.106 1.00 0.00 C ATOM 764 O GLN A 46 -9.848 -0.022 -0.833 1.00 0.00 O ATOM 765 CB GLN A 46 -9.379 -3.294 -0.881 1.00 0.00 C ATOM 766 CG GLN A 46 -10.571 -3.212 0.061 1.00 0.00 C ATOM 767 CD GLN A 46 -10.654 -4.393 1.004 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.272 -5.411 0.691 1.00 0.00 O ATOM 769 NE2 GLN A 46 -10.037 -4.265 2.167 1.00 0.00 N ATOM 0 H GLN A 46 -7.704 -3.216 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.249 -2.012 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.436 -4.225 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.463 -3.335 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.507 -2.292 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.488 -3.155 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.536 -3.404 2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.062 -5.027 2.844 1.00 0.00 H new ATOM 778 N GLY A 47 -7.692 -0.683 -0.771 1.00 0.00 N ATOM 779 CA GLY A 47 -7.238 0.515 -0.090 1.00 0.00 C ATOM 780 C GLY A 47 -7.497 1.767 -0.905 1.00 0.00 C ATOM 781 O GLY A 47 -7.926 2.786 -0.363 1.00 0.00 O ATOM 0 H GLY A 47 -6.960 -1.368 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.744 0.598 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.171 0.432 0.117 1.00 0.00 H new ATOM 785 N VAL A 48 -7.248 1.679 -2.210 1.00 0.00 N ATOM 786 CA VAL A 48 -7.483 2.789 -3.125 1.00 0.00 C ATOM 787 C VAL A 48 -8.935 3.251 -3.067 1.00 0.00 C ATOM 788 O VAL A 48 -9.199 4.446 -3.008 1.00 0.00 O ATOM 789 CB VAL A 48 -7.115 2.412 -4.582 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.635 3.448 -5.569 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.608 2.268 -4.724 1.00 0.00 C ATOM 0 H VAL A 48 -6.880 0.840 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.838 3.607 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.589 1.458 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.361 3.155 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.720 3.512 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.197 4.420 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.363 2.003 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.127 3.212 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.252 1.486 -4.053 1.00 0.00 H new ATOM 801 N LYS A 49 -9.865 2.305 -3.063 1.00 0.00 N ATOM 802 CA LYS A 49 -11.291 2.627 -2.990 1.00 0.00 C ATOM 803 C LYS A 49 -11.594 3.476 -1.758 1.00 0.00 C ATOM 804 O LYS A 49 -12.266 4.503 -1.849 1.00 0.00 O ATOM 805 CB LYS A 49 -12.115 1.334 -2.955 1.00 0.00 C ATOM 806 CG LYS A 49 -13.612 1.549 -2.791 1.00 0.00 C ATOM 807 CD LYS A 49 -14.197 2.371 -3.927 1.00 0.00 C ATOM 808 CE LYS A 49 -15.051 3.506 -3.391 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.597 4.359 -4.476 1.00 0.00 N ATOM 0 H LYS A 49 -9.661 1.307 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.562 3.202 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.938 0.780 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.757 0.711 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.114 0.583 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.804 2.052 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.392 2.775 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.799 1.731 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.874 3.094 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.455 4.119 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.780 5.314 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.909 4.413 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.485 3.948 -4.827 1.00 0.00 H new ATOM 823 N VAL A 50 -11.080 3.049 -0.615 1.00 0.00 N ATOM 824 CA VAL A 50 -11.274 3.781 0.634 1.00 0.00 C ATOM 825 C VAL A 50 -10.549 5.124 0.585 1.00 0.00 C ATOM 826 O VAL A 50 -11.060 6.127 1.072 1.00 0.00 O ATOM 827 CB VAL A 50 -10.777 2.972 1.852 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.088 3.698 3.154 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.390 1.578 1.858 1.00 0.00 C ATOM 0 H VAL A 50 -10.524 2.199 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.345 3.949 0.748 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.695 2.873 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.727 3.106 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.594 4.670 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.165 3.838 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.027 1.025 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.476 1.658 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.107 1.052 0.946 1.00 0.00 H new ATOM 839 N TYR A 51 -9.360 5.137 -0.012 1.00 0.00 N ATOM 840 CA TYR A 51 -8.615 6.378 -0.212 1.00 0.00 C ATOM 841 C TYR A 51 -9.406 7.346 -1.089 1.00 0.00 C ATOM 842 O TYR A 51 -9.468 8.541 -0.805 1.00 0.00 O ATOM 843 CB TYR A 51 -7.256 6.095 -0.855 1.00 0.00 C ATOM 844 CG TYR A 51 -6.109 6.015 0.128 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.548 7.170 0.657 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.581 4.792 0.517 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.492 7.109 1.544 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.522 4.721 1.405 1.00 0.00 C ATOM 849 CZ TYR A 51 -3.982 5.883 1.918 1.00 0.00 C ATOM 850 OH TYR A 51 -2.930 5.823 2.802 1.00 0.00 O ATOM 0 H TYR A 51 -8.891 4.303 -0.366 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.456 6.834 0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.315 5.155 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.041 6.877 -1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.945 8.132 0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.003 3.881 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.067 8.018 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.120 3.761 1.695 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.227 5.248 2.435 1.00 0.00 H new ATOM 860 N LYS A 52 -10.000 6.817 -2.152 1.00 0.00 N ATOM 861 CA LYS A 52 -10.842 7.600 -3.052 1.00 0.00 C ATOM 862 C LYS A 52 -11.979 8.257 -2.282 1.00 0.00 C ATOM 863 O LYS A 52 -12.288 9.433 -2.482 1.00 0.00 O ATOM 864 CB LYS A 52 -11.412 6.705 -4.161 1.00 0.00 C ATOM 865 CG LYS A 52 -10.372 6.217 -5.153 1.00 0.00 C ATOM 866 CD LYS A 52 -9.711 7.367 -5.901 1.00 0.00 C ATOM 867 CE LYS A 52 -8.599 6.862 -6.804 1.00 0.00 C ATOM 868 NZ LYS A 52 -7.938 7.964 -7.552 1.00 0.00 N ATOM 0 H LYS A 52 -9.913 5.835 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.229 8.379 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.897 5.842 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.183 7.257 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.610 5.642 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.842 5.542 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.456 7.894 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.307 8.085 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.856 6.336 -6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.007 6.139 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.186 7.572 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.640 8.450 -8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.525 8.641 -6.879 1.00 0.00 H new ATOM 882 N GLU A 53 -12.589 7.483 -1.399 1.00 0.00 N ATOM 883 CA GLU A 53 -13.662 7.960 -0.558 1.00 0.00 C ATOM 884 C GLU A 53 -13.148 8.978 0.464 1.00 0.00 C ATOM 885 O GLU A 53 -13.713 10.062 0.615 1.00 0.00 O ATOM 886 CB GLU A 53 -14.295 6.763 0.147 1.00 0.00 C ATOM 887 CG GLU A 53 -15.030 5.825 -0.795 1.00 0.00 C ATOM 888 CD GLU A 53 -16.034 6.544 -1.679 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.046 7.044 -1.149 1.00 0.00 O ATOM 890 OE2 GLU A 53 -15.819 6.605 -2.910 1.00 0.00 O ATOM 0 H GLU A 53 -12.349 6.503 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.408 8.465 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.517 6.205 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.991 7.124 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.305 5.307 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.547 5.063 -0.211 1.00 0.00 H new ATOM 897 N ALA A 54 -12.060 8.622 1.142 1.00 0.00 N ATOM 898 CA ALA A 54 -11.457 9.470 2.170 1.00 0.00 C ATOM 899 C ALA A 54 -11.029 10.821 1.611 1.00 0.00 C ATOM 900 O ALA A 54 -11.089 11.834 2.307 1.00 0.00 O ATOM 901 CB ALA A 54 -10.272 8.763 2.808 1.00 0.00 C ATOM 0 H ALA A 54 -11.571 7.739 0.996 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.215 9.655 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.833 9.405 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.607 7.832 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.525 8.544 2.045 1.00 0.00 H new ATOM 907 N ALA A 55 -10.597 10.831 0.355 1.00 0.00 N ATOM 908 CA ALA A 55 -10.165 12.058 -0.303 1.00 0.00 C ATOM 909 C ALA A 55 -11.251 13.130 -0.261 1.00 0.00 C ATOM 910 O ALA A 55 -10.961 14.309 -0.063 1.00 0.00 O ATOM 911 CB ALA A 55 -9.763 11.769 -1.743 1.00 0.00 C ATOM 0 H ALA A 55 -10.537 9.998 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.301 12.441 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.442 12.693 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.943 11.051 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.615 11.356 -2.283 1.00 0.00 H new ATOM 917 N GLU A 56 -12.503 12.717 -0.427 1.00 0.00 N ATOM 918 CA GLU A 56 -13.616 13.660 -0.416 1.00 0.00 C ATOM 919 C GLU A 56 -14.146 13.863 0.999 1.00 0.00 C ATOM 920 O GLU A 56 -14.960 14.753 1.245 1.00 0.00 O ATOM 921 CB GLU A 56 -14.734 13.195 -1.346 1.00 0.00 C ATOM 922 CG GLU A 56 -14.310 13.133 -2.803 1.00 0.00 C ATOM 923 CD GLU A 56 -15.481 13.002 -3.748 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.116 14.034 -4.056 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.764 11.873 -4.196 1.00 0.00 O ATOM 0 H GLU A 56 -12.772 11.743 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.245 14.618 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.074 12.209 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.584 13.871 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.747 14.033 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.638 12.287 -2.945 1.00 0.00 H new ATOM 932 N LYS A 57 -13.675 13.036 1.926 1.00 0.00 N ATOM 933 CA LYS A 57 -14.009 13.194 3.333 1.00 0.00 C ATOM 934 C LYS A 57 -13.155 14.297 3.945 1.00 0.00 C ATOM 935 O LYS A 57 -13.475 14.840 5.001 1.00 0.00 O ATOM 936 CB LYS A 57 -13.787 11.884 4.088 1.00 0.00 C ATOM 937 CG LYS A 57 -14.619 10.708 3.589 1.00 0.00 C ATOM 938 CD LYS A 57 -16.078 10.778 4.033 1.00 0.00 C ATOM 939 CE LYS A 57 -16.868 11.826 3.265 1.00 0.00 C ATOM 940 NZ LYS A 57 -18.304 11.820 3.642 1.00 0.00 N ATOM 0 H LYS A 57 -13.059 12.248 1.726 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.061 13.466 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.732 11.618 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.010 12.047 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.577 10.677 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.179 9.779 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.544 9.802 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.120 11.004 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.446 12.812 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.772 11.641 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.809 12.548 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.713 10.887 3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.397 12.021 4.658 1.00 0.00 H new ATOM 954 N ALA A 58 -12.057 14.614 3.266 1.00 0.00 N ATOM 955 CA ALA A 58 -11.163 15.674 3.700 1.00 0.00 C ATOM 956 C ALA A 58 -11.814 17.037 3.524 1.00 0.00 C ATOM 957 O ALA A 58 -11.958 17.536 2.405 1.00 0.00 O ATOM 958 CB ALA A 58 -9.847 15.608 2.939 1.00 0.00 C ATOM 0 H ALA A 58 -11.766 14.146 2.407 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.956 15.531 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.190 16.409 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.369 14.646 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.038 15.722 1.872 1.00 0.00 H new ATOM 964 N ARG A 59 -12.227 17.623 4.639 1.00 0.00 N ATOM 965 CA ARG A 59 -12.866 18.930 4.634 1.00 0.00 C ATOM 966 C ARG A 59 -11.860 20.020 4.264 1.00 0.00 C ATOM 967 O ARG A 59 -12.217 21.038 3.669 1.00 0.00 O ATOM 968 CB ARG A 59 -13.503 19.200 6.009 1.00 0.00 C ATOM 969 CG ARG A 59 -14.321 20.482 6.092 1.00 0.00 C ATOM 970 CD ARG A 59 -13.456 21.680 6.447 1.00 0.00 C ATOM 971 NE ARG A 59 -14.208 22.927 6.398 1.00 0.00 N ATOM 972 CZ ARG A 59 -13.646 24.131 6.383 1.00 0.00 C ATOM 973 NH1 ARG A 59 -12.323 24.256 6.417 1.00 0.00 N ATOM 974 NH2 ARG A 59 -14.411 25.212 6.324 1.00 0.00 N ATOM 0 H ARG A 59 -12.129 17.209 5.566 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.653 18.941 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.145 18.358 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.713 19.240 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.815 20.661 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.105 20.365 6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.042 21.545 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.614 21.737 5.757 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.226 22.873 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.733 23.425 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.898 25.183 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.426 25.117 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.985 26.139 6.312 1.00 0.00 H new ATOM 988 N ASN A 60 -10.598 19.796 4.606 1.00 0.00 N ATOM 989 CA ASN A 60 -9.548 20.765 4.308 1.00 0.00 C ATOM 990 C ASN A 60 -8.802 20.373 3.042 1.00 0.00 C ATOM 991 O ASN A 60 -8.372 19.226 2.898 1.00 0.00 O ATOM 992 CB ASN A 60 -8.564 20.903 5.477 1.00 0.00 C ATOM 993 CG ASN A 60 -9.196 21.538 6.703 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.193 22.258 6.604 1.00 0.00 O ATOM 995 ND2 ASN A 60 -8.605 21.302 7.864 1.00 0.00 N ATOM 0 H ASN A 60 -10.276 18.957 5.088 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.027 21.732 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.179 19.918 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.712 21.504 5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.973 21.722 8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.782 20.701 7.904 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.640 21.327 2.109 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.994 21.085 0.811 1.00 0.00 C ATOM 1004 C PRO A 61 -6.556 20.588 0.949 1.00 0.00 C ATOM 1005 O PRO A 61 -6.092 19.777 0.149 1.00 0.00 O ATOM 1006 CB PRO A 61 -8.017 22.458 0.129 1.00 0.00 C ATOM 1007 CG PRO A 61 -9.096 23.216 0.823 1.00 0.00 C ATOM 1008 CD PRO A 61 -9.091 22.724 2.242 1.00 0.00 C ATOM 0 HA PRO A 61 -8.510 20.306 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.056 22.963 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.223 22.365 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.910 24.289 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.063 23.041 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.417 23.308 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.081 22.787 2.694 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.858 21.074 1.970 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.481 20.703 2.207 1.00 0.00 C ATOM 1018 C GLU A 62 -4.365 19.234 2.599 1.00 0.00 C ATOM 1019 O GLU A 62 -3.488 18.522 2.112 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.912 21.614 3.280 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.661 23.028 2.778 1.00 0.00 C ATOM 1022 CD GLU A 62 -3.306 23.992 3.885 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -4.235 24.501 4.550 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -2.106 24.277 4.074 1.00 0.00 O ATOM 0 H GLU A 62 -6.236 21.733 2.650 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.906 20.825 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.601 21.649 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.977 21.193 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.853 23.010 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.551 23.388 2.262 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.266 18.774 3.459 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.321 17.358 3.810 1.00 0.00 C ATOM 1033 C LYS A 63 -5.666 16.526 2.576 1.00 0.00 C ATOM 1034 O LYS A 63 -5.130 15.436 2.373 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.354 17.105 4.915 1.00 0.00 C ATOM 1036 CG LYS A 63 -5.935 17.605 6.290 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.026 17.354 7.321 1.00 0.00 C ATOM 1038 CE LYS A 63 -6.607 17.789 8.721 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.558 16.909 9.303 1.00 0.00 N ATOM 0 H LYS A 63 -5.964 19.355 3.924 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.341 17.062 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.292 17.586 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.550 16.034 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.017 17.104 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.715 18.671 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.929 17.891 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.276 16.293 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.237 18.814 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.480 17.789 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.843 16.614 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.438 16.068 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.659 17.429 9.355 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.552 17.068 1.744 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.971 16.402 0.516 1.00 0.00 C ATOM 1055 C ARG A 64 -5.793 16.252 -0.447 1.00 0.00 C ATOM 1056 O ARG A 64 -5.667 15.239 -1.131 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.112 17.187 -0.141 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.690 16.525 -1.382 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.913 17.274 -1.890 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.968 17.345 -0.876 1.00 0.00 N ATOM 1061 CZ ARG A 64 -12.262 17.120 -1.116 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.690 16.858 -2.348 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -13.134 17.164 -0.114 1.00 0.00 N ATOM 0 H ARG A 64 -6.996 17.973 1.901 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.330 15.403 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.910 17.325 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.749 18.179 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.932 16.490 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.961 15.494 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.625 18.283 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.298 16.779 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.696 17.582 0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.027 16.827 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.681 16.688 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.813 17.369 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.124 16.993 -0.291 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.927 17.261 -0.479 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.721 17.235 -1.304 1.00 0.00 C ATOM 1079 C GLN A 65 -2.809 16.090 -0.878 1.00 0.00 C ATOM 1080 O GLN A 65 -2.281 15.355 -1.717 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.984 18.568 -1.168 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.820 18.745 -2.130 1.00 0.00 C ATOM 1083 CD GLN A 65 -0.999 19.985 -1.824 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -0.884 20.394 -0.670 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -0.432 20.597 -2.852 1.00 0.00 N ATOM 0 H GLN A 65 -5.040 18.117 0.064 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.005 17.081 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.695 19.379 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.613 18.661 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.177 17.866 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.201 18.807 -3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.551 20.227 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.124 21.439 -2.701 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.641 15.943 0.431 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.829 14.868 0.985 1.00 0.00 C ATOM 1096 C VAL A 66 -2.411 13.508 0.603 1.00 0.00 C ATOM 1097 O VAL A 66 -1.694 12.632 0.118 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.726 14.970 2.522 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.864 13.846 3.081 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.167 16.325 2.925 1.00 0.00 C ATOM 0 H VAL A 66 -3.058 16.557 1.130 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.828 14.967 0.565 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.727 14.869 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.805 13.938 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.307 12.884 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.138 13.910 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.100 16.382 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.174 16.452 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.825 17.113 2.560 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.719 13.351 0.805 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.406 12.106 0.473 1.00 0.00 C ATOM 1112 C ILE A 67 -4.300 11.803 -1.021 1.00 0.00 C ATOM 1113 O ILE A 67 -4.008 10.674 -1.414 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.898 12.153 0.879 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.030 12.387 2.385 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.604 10.863 0.475 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.461 12.539 2.862 1.00 0.00 C ATOM 0 H ILE A 67 -4.324 14.072 1.198 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.915 11.314 1.038 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.374 12.982 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.568 11.553 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.471 13.283 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.652 10.915 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.536 10.734 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.129 10.017 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.470 12.702 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.922 13.391 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.021 11.634 2.627 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.528 12.822 -1.846 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.456 12.671 -3.296 1.00 0.00 C ATOM 1131 C ASP A 68 -3.076 12.200 -3.729 1.00 0.00 C ATOM 1132 O ASP A 68 -2.949 11.294 -4.561 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.777 13.991 -3.994 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.681 13.873 -5.501 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -5.622 13.336 -6.123 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.658 14.303 -6.070 1.00 0.00 O ATOM 0 H ASP A 68 -4.765 13.764 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.194 11.922 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.782 14.312 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.089 14.762 -3.646 1.00 0.00 H new ATOM 1141 N LYS A 69 -2.042 12.826 -3.178 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.673 12.411 -3.472 1.00 0.00 C ATOM 1143 C LYS A 69 -0.425 10.961 -3.065 1.00 0.00 C ATOM 1144 O LYS A 69 0.103 10.183 -3.854 1.00 0.00 O ATOM 1145 CB LYS A 69 0.346 13.315 -2.781 1.00 0.00 C ATOM 1146 CG LYS A 69 0.586 14.627 -3.502 1.00 0.00 C ATOM 1147 CD LYS A 69 1.826 15.322 -2.972 1.00 0.00 C ATOM 1148 CE LYS A 69 3.067 14.446 -3.122 1.00 0.00 C ATOM 1149 NZ LYS A 69 3.347 14.101 -4.543 1.00 0.00 N ATOM 0 H LYS A 69 -2.122 13.613 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.547 12.498 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.004 13.525 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.292 12.781 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.697 14.443 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.280 15.277 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.975 16.260 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.682 15.574 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.928 14.964 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.934 13.529 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.268 13.622 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.602 13.469 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.367 14.970 -5.114 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.847 10.590 -1.858 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.660 9.223 -1.379 1.00 0.00 C ATOM 1165 C ILE A 70 -1.394 8.246 -2.286 1.00 0.00 C ATOM 1166 O ILE A 70 -0.884 7.176 -2.615 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.148 9.047 0.079 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.363 9.971 1.014 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.007 7.595 0.518 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.799 9.888 2.462 1.00 0.00 C ATOM 0 H ILE A 70 -1.317 11.211 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 70 0.410 9.015 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.203 9.317 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.697 9.724 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.472 10.999 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.355 7.490 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.605 6.958 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.040 7.296 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.198 10.570 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.850 10.164 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.663 8.869 2.825 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.585 8.648 -2.709 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.377 7.869 -3.646 1.00 0.00 C ATOM 1184 C LEU A 71 -2.605 7.616 -4.934 1.00 0.00 C ATOM 1185 O LEU A 71 -2.568 6.498 -5.432 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.681 8.605 -3.958 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.941 7.956 -3.394 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.142 8.871 -3.584 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.180 6.609 -4.062 1.00 0.00 C ATOM 0 H LEU A 71 -3.026 9.519 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.603 6.906 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.609 9.621 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.785 8.685 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.803 7.793 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.032 8.392 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.967 9.814 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.288 9.063 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.082 6.154 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.302 6.752 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.328 5.955 -3.877 1.00 0.00 H new ATOM 1201 N GLU A 72 -1.973 8.662 -5.452 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.210 8.574 -6.695 1.00 0.00 C ATOM 1203 C GLU A 72 -0.060 7.590 -6.560 1.00 0.00 C ATOM 1204 O GLU A 72 0.203 6.795 -7.462 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.661 9.948 -7.060 1.00 0.00 C ATOM 1206 CG GLU A 72 0.030 9.991 -8.411 1.00 0.00 C ATOM 1207 CD GLU A 72 0.511 11.376 -8.768 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.636 11.741 -8.365 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -0.234 12.108 -9.455 1.00 0.00 O ATOM 0 H GLU A 72 -1.973 9.590 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.878 8.221 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.479 10.668 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.044 10.263 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.878 9.306 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.658 9.639 -9.179 1.00 0.00 H new ATOM 1216 N ASP A 73 0.630 7.660 -5.436 1.00 0.00 N ATOM 1217 CA ASP A 73 1.716 6.727 -5.157 1.00 0.00 C ATOM 1218 C ASP A 73 1.195 5.294 -5.139 1.00 0.00 C ATOM 1219 O ASP A 73 1.813 4.401 -5.712 1.00 0.00 O ATOM 1220 CB ASP A 73 2.415 7.064 -3.835 1.00 0.00 C ATOM 1221 CG ASP A 73 3.271 8.319 -3.926 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.742 9.429 -3.713 1.00 0.00 O ATOM 1223 OD2 ASP A 73 4.484 8.204 -4.210 1.00 0.00 O ATOM 0 H ASP A 73 0.462 8.348 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 73 2.452 6.821 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.665 7.197 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.041 6.223 -3.535 1.00 0.00 H new ATOM 1228 N GLU A 74 0.039 5.078 -4.511 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.578 3.750 -4.487 1.00 0.00 C ATOM 1230 C GLU A 74 -0.974 3.315 -5.903 1.00 0.00 C ATOM 1231 O GLU A 74 -0.827 2.147 -6.262 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.805 3.735 -3.569 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.502 4.095 -2.119 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.689 3.042 -1.381 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.110 2.138 -2.026 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.609 3.122 -0.136 1.00 0.00 O ATOM 0 H GLU A 74 -0.486 5.799 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 74 0.155 3.045 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.545 4.434 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.256 2.743 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.961 5.041 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.442 4.252 -1.590 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.457 4.269 -6.706 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.793 4.009 -8.104 1.00 0.00 C ATOM 1245 C GLU A 75 -0.570 3.477 -8.843 1.00 0.00 C ATOM 1246 O GLU A 75 -0.663 2.556 -9.661 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.274 5.296 -8.794 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.539 5.911 -8.210 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.728 4.970 -8.202 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.654 3.892 -8.825 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.725 5.302 -7.525 1.00 0.00 O ATOM 0 H GLU A 75 -1.623 5.230 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.592 3.269 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.474 6.035 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.447 5.081 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.337 6.235 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.796 6.802 -8.782 1.00 0.00 H new ATOM 1258 N LYS A 76 0.575 4.073 -8.540 1.00 0.00 N ATOM 1259 CA LYS A 76 1.841 3.695 -9.148 1.00 0.00 C ATOM 1260 C LYS A 76 2.275 2.314 -8.662 1.00 0.00 C ATOM 1261 O LYS A 76 2.811 1.513 -9.432 1.00 0.00 O ATOM 1262 CB LYS A 76 2.903 4.737 -8.800 1.00 0.00 C ATOM 1263 CG LYS A 76 4.109 4.731 -9.721 1.00 0.00 C ATOM 1264 CD LYS A 76 5.096 5.817 -9.329 1.00 0.00 C ATOM 1265 CE LYS A 76 6.143 6.047 -10.408 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.531 6.468 -11.695 1.00 0.00 N ATOM 0 H LYS A 76 0.651 4.833 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 76 1.719 3.653 -10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.446 5.726 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.240 4.567 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.598 3.758 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.786 4.882 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.558 6.746 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.589 5.540 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.846 6.810 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.714 5.131 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.236 6.977 -12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.206 5.629 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.722 7.093 -11.506 1.00 0.00 H new ATOM 1280 N HIS A 77 2.030 2.042 -7.380 1.00 0.00 N ATOM 1281 CA HIS A 77 2.368 0.752 -6.776 1.00 0.00 C ATOM 1282 C HIS A 77 1.699 -0.398 -7.521 1.00 0.00 C ATOM 1283 O HIS A 77 2.353 -1.371 -7.901 1.00 0.00 O ATOM 1284 CB HIS A 77 1.925 0.702 -5.311 1.00 0.00 C ATOM 1285 CG HIS A 77 2.710 1.572 -4.380 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.401 1.641 -3.040 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.775 2.366 -4.632 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.291 2.472 -2.516 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.140 2.934 -3.442 1.00 0.00 N ATOM 0 H HIS A 77 1.596 2.703 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 77 3.451 0.645 -6.839 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.875 0.991 -5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.991 -0.329 -4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.248 2.522 -5.590 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.327 2.743 -1.471 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.911 3.584 -3.290 1.00 0.00 H new ATOM 1297 N ILE A 78 0.393 -0.270 -7.732 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.383 -1.308 -8.395 1.00 0.00 C ATOM 1299 C ILE A 78 0.142 -1.554 -9.807 1.00 0.00 C ATOM 1300 O ILE A 78 0.231 -2.698 -10.261 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.878 -0.930 -8.465 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.410 -0.586 -7.069 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.683 -2.068 -9.074 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.850 -0.115 -7.067 1.00 0.00 C ATOM 0 H ILE A 78 -0.151 0.546 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.278 -2.219 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.984 -0.051 -9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.323 -1.465 -6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.782 0.190 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.735 -1.787 -9.117 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.320 -2.272 -10.082 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.571 -2.962 -8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.158 0.110 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.940 0.782 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.489 -0.898 -7.474 1.00 0.00 H new ATOM 1316 N GLU A 79 0.516 -0.476 -10.482 1.00 0.00 N ATOM 1317 CA GLU A 79 1.013 -0.550 -11.843 1.00 0.00 C ATOM 1318 C GLU A 79 2.291 -1.386 -11.917 1.00 0.00 C ATOM 1319 O GLU A 79 2.467 -2.185 -12.841 1.00 0.00 O ATOM 1320 CB GLU A 79 1.262 0.857 -12.376 1.00 0.00 C ATOM 1321 CG GLU A 79 1.656 0.879 -13.834 1.00 0.00 C ATOM 1322 CD GLU A 79 1.969 2.271 -14.332 1.00 0.00 C ATOM 1323 OE1 GLU A 79 3.118 2.720 -14.159 1.00 0.00 O ATOM 1324 OE2 GLU A 79 1.072 2.918 -14.913 1.00 0.00 O ATOM 0 H GLU A 79 0.483 0.470 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 79 0.261 -1.039 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.361 1.455 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.048 1.328 -11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.527 0.241 -13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.848 0.457 -14.431 1.00 0.00 H new ATOM 1331 N TRP A 80 3.176 -1.210 -10.938 1.00 0.00 N ATOM 1332 CA TRP A 80 4.430 -1.957 -10.894 1.00 0.00 C ATOM 1333 C TRP A 80 4.163 -3.457 -10.823 1.00 0.00 C ATOM 1334 O TRP A 80 4.779 -4.246 -11.540 1.00 0.00 O ATOM 1335 CB TRP A 80 5.269 -1.543 -9.682 1.00 0.00 C ATOM 1336 CG TRP A 80 5.739 -0.121 -9.711 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.895 0.673 -10.810 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.136 0.666 -8.583 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.359 1.909 -10.435 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.517 1.928 -9.071 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.207 0.425 -7.206 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.958 2.948 -8.230 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.647 1.436 -6.372 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.018 2.685 -6.887 1.00 0.00 C ATOM 0 H TRP A 80 3.048 -0.557 -10.165 1.00 0.00 H new ATOM 0 HA TRP A 80 4.979 -1.729 -11.808 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.681 -1.700 -8.778 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.137 -2.199 -9.616 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.684 0.373 -11.826 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.554 2.686 -11.066 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.923 -0.535 -6.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.243 3.913 -8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.706 1.260 -5.308 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.358 3.456 -6.212 1.00 0.00 H new ATOM 1355 N HIS A 81 3.225 -3.840 -9.969 1.00 0.00 N ATOM 1356 CA HIS A 81 2.902 -5.245 -9.766 1.00 0.00 C ATOM 1357 C HIS A 81 2.217 -5.847 -10.988 1.00 0.00 C ATOM 1358 O HIS A 81 2.371 -7.040 -11.261 1.00 0.00 O ATOM 1359 CB HIS A 81 2.046 -5.427 -8.511 1.00 0.00 C ATOM 1360 CG HIS A 81 2.830 -5.239 -7.249 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.520 -6.253 -6.620 1.00 0.00 N ATOM 1362 CD2 HIS A 81 3.068 -4.119 -6.521 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.147 -5.729 -5.560 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.904 -4.437 -5.454 1.00 0.00 N ATOM 0 H HIS A 81 2.673 -3.195 -9.404 1.00 0.00 H new ATOM 0 HA HIS A 81 3.839 -5.783 -9.622 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.221 -4.715 -8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.606 -6.424 -8.517 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.548 -7.230 -6.911 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.672 -3.137 -6.735 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.770 -6.291 -4.880 1.00 0.00 H new ATOM 1372 N LYS A 82 1.470 -5.028 -11.725 1.00 0.00 N ATOM 1373 CA LYS A 82 0.845 -5.485 -12.965 1.00 0.00 C ATOM 1374 C LYS A 82 1.910 -5.962 -13.948 1.00 0.00 C ATOM 1375 O LYS A 82 1.799 -7.044 -14.524 1.00 0.00 O ATOM 1376 CB LYS A 82 0.029 -4.365 -13.621 1.00 0.00 C ATOM 1377 CG LYS A 82 -1.135 -3.859 -12.786 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.888 -2.757 -13.517 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.968 -2.138 -12.646 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.695 -1.052 -13.353 1.00 0.00 N ATOM 0 H LYS A 82 1.284 -4.053 -11.489 1.00 0.00 H new ATOM 0 HA LYS A 82 0.176 -6.308 -12.713 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.693 -3.529 -13.839 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.355 -4.724 -14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.813 -4.683 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.767 -3.482 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.187 -1.984 -13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.340 -3.164 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.675 -2.910 -12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.518 -1.741 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.423 -0.656 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.025 -0.303 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.146 -1.436 -14.208 1.00 0.00 H new ATOM 1394 N ALA A 83 2.951 -5.152 -14.113 1.00 0.00 N ATOM 1395 CA ALA A 83 4.037 -5.465 -15.036 1.00 0.00 C ATOM 1396 C ALA A 83 4.775 -6.723 -14.603 1.00 0.00 C ATOM 1397 O ALA A 83 5.139 -7.562 -15.433 1.00 0.00 O ATOM 1398 CB ALA A 83 4.999 -4.289 -15.131 1.00 0.00 C ATOM 0 H ALA A 83 3.066 -4.269 -13.616 1.00 0.00 H new ATOM 0 HA ALA A 83 3.608 -5.649 -16.021 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.805 -4.534 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.465 -3.410 -15.493 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.416 -4.080 -14.146 1.00 0.00 H new ATOM 1404 N ALA A 84 4.975 -6.856 -13.301 1.00 0.00 N ATOM 1405 CA ALA A 84 5.656 -8.016 -12.743 1.00 0.00 C ATOM 1406 C ALA A 84 4.812 -9.276 -12.899 1.00 0.00 C ATOM 1407 O ALA A 84 5.343 -10.375 -13.041 1.00 0.00 O ATOM 1408 CB ALA A 84 5.988 -7.781 -11.279 1.00 0.00 C ATOM 0 H ALA A 84 4.674 -6.172 -12.607 1.00 0.00 H new ATOM 0 HA ALA A 84 6.584 -8.160 -13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.497 -8.657 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.638 -6.910 -11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.068 -7.607 -10.721 1.00 0.00 H new ATOM 1414 N SER A 85 3.496 -9.102 -12.891 1.00 0.00 N ATOM 1415 CA SER A 85 2.567 -10.221 -12.992 1.00 0.00 C ATOM 1416 C SER A 85 2.512 -10.766 -14.418 1.00 0.00 C ATOM 1417 O SER A 85 1.836 -11.757 -14.686 1.00 0.00 O ATOM 1418 CB SER A 85 1.170 -9.782 -12.539 1.00 0.00 C ATOM 1419 OG SER A 85 0.281 -10.883 -12.462 1.00 0.00 O ATOM 0 H SER A 85 3.046 -8.190 -12.815 1.00 0.00 H new ATOM 0 HA SER A 85 2.922 -11.020 -12.341 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.237 -9.298 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.776 -9.042 -13.236 1.00 0.00 H new ATOM 0 HG SER A 85 0.566 -11.578 -13.091 1.00 0.00 H new ATOM 1425 N LYS A 86 3.212 -10.109 -15.333 1.00 0.00 N ATOM 1426 CA LYS A 86 3.253 -10.557 -16.716 1.00 0.00 C ATOM 1427 C LYS A 86 4.528 -11.347 -16.975 1.00 0.00 C ATOM 1428 O LYS A 86 4.478 -12.492 -17.423 1.00 0.00 O ATOM 1429 CB LYS A 86 3.171 -9.362 -17.670 1.00 0.00 C ATOM 1430 CG LYS A 86 1.957 -8.478 -17.430 1.00 0.00 C ATOM 1431 CD LYS A 86 1.869 -7.355 -18.447 1.00 0.00 C ATOM 1432 CE LYS A 86 1.625 -7.893 -19.846 1.00 0.00 C ATOM 1433 NZ LYS A 86 1.517 -6.806 -20.853 1.00 0.00 N ATOM 0 H LYS A 86 3.757 -9.268 -15.143 1.00 0.00 H new ATOM 0 HA LYS A 86 2.394 -11.204 -16.895 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.075 -8.761 -17.566 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.148 -9.727 -18.697 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.052 -9.083 -17.477 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.007 -8.056 -16.426 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.063 -6.675 -18.171 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.793 -6.777 -18.434 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.439 -8.563 -20.123 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.709 -8.484 -19.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.351 -7.219 -21.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.724 -6.180 -20.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.400 -6.257 -20.867 1.00 0.00 H new ATOM 1447 N GLN A 87 5.666 -10.725 -16.689 1.00 0.00 N ATOM 1448 CA GLN A 87 6.969 -11.361 -16.859 1.00 0.00 C ATOM 1449 C GLN A 87 7.943 -10.861 -15.801 1.00 0.00 C ATOM 1450 O GLN A 87 8.460 -9.746 -15.896 1.00 0.00 O ATOM 1451 CB GLN A 87 7.531 -11.097 -18.262 1.00 0.00 C ATOM 1452 CG GLN A 87 6.875 -11.923 -19.357 1.00 0.00 C ATOM 1453 CD GLN A 87 7.435 -11.632 -20.735 1.00 0.00 C ATOM 1454 OE1 GLN A 87 7.839 -10.506 -21.038 1.00 0.00 O ATOM 1455 NE2 GLN A 87 7.475 -12.652 -21.571 1.00 0.00 N ATOM 0 H GLN A 87 5.713 -9.770 -16.334 1.00 0.00 H new ATOM 0 HA GLN A 87 6.839 -12.437 -16.741 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.410 -10.040 -18.497 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.601 -11.303 -18.258 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.006 -12.982 -19.134 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.803 -11.728 -19.358 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.130 -13.566 -21.277 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.851 -12.527 -22.511 1.00 0.00 H new ATOM 1464 N GLY A 88 8.173 -11.676 -14.786 1.00 0.00 N ATOM 1465 CA GLY A 88 9.090 -11.308 -13.731 1.00 0.00 C ATOM 1466 C GLY A 88 9.471 -12.493 -12.875 1.00 0.00 C ATOM 1467 O GLY A 88 8.652 -13.379 -12.637 1.00 0.00 O ATOM 0 H GLY A 88 7.738 -12.592 -14.674 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.989 -10.872 -14.167 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.634 -10.540 -13.106 1.00 0.00 H new ATOM 1471 N ASN A 89 10.715 -12.520 -12.425 1.00 0.00 N ATOM 1472 CA ASN A 89 11.199 -13.604 -11.583 1.00 0.00 C ATOM 1473 C ASN A 89 11.287 -13.149 -10.130 1.00 0.00 C ATOM 1474 O ASN A 89 10.976 -11.999 -9.809 1.00 0.00 O ATOM 1475 CB ASN A 89 12.564 -14.094 -12.071 1.00 0.00 C ATOM 1476 CG ASN A 89 12.486 -14.791 -13.418 1.00 0.00 C ATOM 1477 OD1 ASN A 89 12.314 -16.009 -13.489 1.00 0.00 O ATOM 1478 ND2 ASN A 89 12.620 -14.029 -14.495 1.00 0.00 N ATOM 0 H ASN A 89 11.410 -11.802 -12.629 1.00 0.00 H new ATOM 0 HA ASN A 89 10.492 -14.432 -11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.246 -13.247 -12.143 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.984 -14.779 -11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.582 -14.448 -15.424 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.761 -13.024 -14.394 1.00 0.00 H new ATOM 1485 N ALA A 90 11.737 -14.046 -9.260 1.00 0.00 N ATOM 1486 CA ALA A 90 11.736 -13.801 -7.823 1.00 0.00 C ATOM 1487 C ALA A 90 12.711 -12.690 -7.436 1.00 0.00 C ATOM 1488 O ALA A 90 12.436 -11.905 -6.529 1.00 0.00 O ATOM 1489 CB ALA A 90 12.073 -15.081 -7.073 1.00 0.00 C ATOM 0 H ALA A 90 12.110 -14.957 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 90 10.735 -13.472 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.069 -14.886 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.331 -15.845 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.060 -15.430 -7.375 1.00 0.00 H new ATOM 1495 N GLU A 91 13.838 -12.622 -8.134 1.00 0.00 N ATOM 1496 CA GLU A 91 14.876 -11.648 -7.832 1.00 0.00 C ATOM 1497 C GLU A 91 14.369 -10.215 -7.988 1.00 0.00 C ATOM 1498 O GLU A 91 14.571 -9.375 -7.109 1.00 0.00 O ATOM 1499 CB GLU A 91 16.072 -11.893 -8.742 1.00 0.00 C ATOM 1500 CG GLU A 91 16.799 -13.193 -8.448 1.00 0.00 C ATOM 1501 CD GLU A 91 17.844 -13.517 -9.493 1.00 0.00 C ATOM 1502 OE1 GLU A 91 18.808 -12.743 -9.639 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.696 -14.536 -10.193 1.00 0.00 O ATOM 0 H GLU A 91 14.056 -13.236 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 91 15.174 -11.771 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.735 -11.901 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.772 -11.063 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.275 -13.127 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.076 -14.007 -8.396 1.00 0.00 H new ATOM 1510 N GLN A 92 13.716 -9.936 -9.108 1.00 0.00 N ATOM 1511 CA GLN A 92 13.123 -8.620 -9.334 1.00 0.00 C ATOM 1512 C GLN A 92 11.919 -8.408 -8.421 1.00 0.00 C ATOM 1513 O GLN A 92 11.697 -7.310 -7.912 1.00 0.00 O ATOM 1514 CB GLN A 92 12.694 -8.451 -10.796 1.00 0.00 C ATOM 1515 CG GLN A 92 13.851 -8.370 -11.783 1.00 0.00 C ATOM 1516 CD GLN A 92 14.761 -7.182 -11.532 1.00 0.00 C ATOM 1517 OE1 GLN A 92 14.518 -6.085 -12.032 1.00 0.00 O ATOM 1518 NE2 GLN A 92 15.826 -7.395 -10.775 1.00 0.00 N ATOM 0 H GLN A 92 13.582 -10.598 -9.872 1.00 0.00 H new ATOM 0 HA GLN A 92 13.883 -7.873 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.053 -9.288 -11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.093 -7.546 -10.884 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.436 -9.288 -11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.454 -8.309 -12.796 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.993 -8.320 -10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.480 -6.634 -10.589 1.00 0.00 H new ATOM 1527 N PHE A 93 11.158 -9.474 -8.202 1.00 0.00 N ATOM 1528 CA PHE A 93 9.934 -9.400 -7.413 1.00 0.00 C ATOM 1529 C PHE A 93 10.234 -9.015 -5.967 1.00 0.00 C ATOM 1530 O PHE A 93 9.586 -8.134 -5.407 1.00 0.00 O ATOM 1531 CB PHE A 93 9.191 -10.738 -7.468 1.00 0.00 C ATOM 1532 CG PHE A 93 7.870 -10.729 -6.752 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.836 -9.917 -7.188 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.664 -11.528 -5.641 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.622 -9.903 -6.531 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.451 -11.519 -4.979 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.429 -10.706 -5.423 1.00 0.00 C ATOM 0 H PHE A 93 11.369 -10.405 -8.562 1.00 0.00 H new ATOM 0 HA PHE A 93 9.298 -8.624 -7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.026 -11.009 -8.511 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.824 -11.512 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.981 -9.287 -8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.460 -12.166 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.824 -9.265 -6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.303 -12.149 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.481 -10.697 -4.906 1.00 0.00 H new ATOM 1547 N ALA A 94 11.228 -9.665 -5.379 1.00 0.00 N ATOM 1548 CA ALA A 94 11.627 -9.378 -4.006 1.00 0.00 C ATOM 1549 C ALA A 94 12.068 -7.923 -3.857 1.00 0.00 C ATOM 1550 O ALA A 94 11.807 -7.286 -2.836 1.00 0.00 O ATOM 1551 CB ALA A 94 12.738 -10.320 -3.576 1.00 0.00 C ATOM 0 H ALA A 94 11.775 -10.397 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 94 10.765 -9.534 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.028 -10.096 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.386 -11.350 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.599 -10.191 -4.232 1.00 0.00 H new ATOM 1557 N SER A 95 12.712 -7.401 -4.890 1.00 0.00 N ATOM 1558 CA SER A 95 13.178 -6.024 -4.881 1.00 0.00 C ATOM 1559 C SER A 95 11.978 -5.075 -4.965 1.00 0.00 C ATOM 1560 O SER A 95 11.951 -4.026 -4.311 1.00 0.00 O ATOM 1561 CB SER A 95 14.145 -5.791 -6.052 1.00 0.00 C ATOM 1562 OG SER A 95 14.913 -4.613 -5.867 1.00 0.00 O ATOM 0 H SER A 95 12.924 -7.912 -5.747 1.00 0.00 H new ATOM 0 HA SER A 95 13.713 -5.825 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.811 -6.648 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.581 -5.716 -6.982 1.00 0.00 H new ATOM 0 HG SER A 95 15.519 -4.495 -6.628 1.00 0.00 H new ATOM 1568 N LEU A 96 10.985 -5.462 -5.763 1.00 0.00 N ATOM 1569 CA LEU A 96 9.756 -4.688 -5.910 1.00 0.00 C ATOM 1570 C LEU A 96 9.019 -4.600 -4.579 1.00 0.00 C ATOM 1571 O LEU A 96 8.607 -3.518 -4.155 1.00 0.00 O ATOM 1572 CB LEU A 96 8.852 -5.339 -6.962 1.00 0.00 C ATOM 1573 CG LEU A 96 7.488 -4.674 -7.170 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.657 -3.203 -7.521 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.712 -5.395 -8.261 1.00 0.00 C ATOM 0 H LEU A 96 11.009 -6.315 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 96 10.016 -3.680 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.381 -5.346 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.689 -6.379 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 96 6.925 -4.741 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.677 -2.748 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.178 -2.693 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.237 -3.112 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.744 -4.912 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.274 -5.355 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.561 -6.435 -7.973 1.00 0.00 H new ATOM 1587 N VAL A 97 8.880 -5.746 -3.921 1.00 0.00 N ATOM 1588 CA VAL A 97 8.199 -5.825 -2.633 1.00 0.00 C ATOM 1589 C VAL A 97 8.862 -4.910 -1.608 1.00 0.00 C ATOM 1590 O VAL A 97 8.179 -4.190 -0.877 1.00 0.00 O ATOM 1591 CB VAL A 97 8.178 -7.277 -2.093 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.528 -7.338 -0.717 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.451 -8.191 -3.066 1.00 0.00 C ATOM 0 H VAL A 97 9.233 -6.640 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 97 7.172 -5.497 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 97 9.208 -7.619 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.526 -8.368 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.090 -6.715 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.502 -6.975 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.444 -9.208 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.426 -7.844 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.962 -8.177 -4.029 1.00 0.00 H new ATOM 1603 N GLN A 98 10.190 -4.922 -1.572 1.00 0.00 N ATOM 1604 CA GLN A 98 10.931 -4.091 -0.629 1.00 0.00 C ATOM 1605 C GLN A 98 10.699 -2.608 -0.908 1.00 0.00 C ATOM 1606 O GLN A 98 10.486 -1.826 0.016 1.00 0.00 O ATOM 1607 CB GLN A 98 12.427 -4.408 -0.681 1.00 0.00 C ATOM 1608 CG GLN A 98 13.240 -3.632 0.346 1.00 0.00 C ATOM 1609 CD GLN A 98 14.687 -4.077 0.414 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.005 -5.240 0.175 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.579 -3.149 0.733 1.00 0.00 N ATOM 0 H GLN A 98 10.774 -5.495 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 98 10.562 -4.317 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.572 -5.476 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.805 -4.184 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.203 -2.570 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.783 -3.751 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.275 -2.194 0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.569 -3.390 0.787 1.00 0.00 H new ATOM 1620 N GLN A 99 10.726 -2.232 -2.185 1.00 0.00 N ATOM 1621 CA GLN A 99 10.509 -0.842 -2.577 1.00 0.00 C ATOM 1622 C GLN A 99 9.109 -0.387 -2.178 1.00 0.00 C ATOM 1623 O GLN A 99 8.928 0.703 -1.632 1.00 0.00 O ATOM 1624 CB GLN A 99 10.705 -0.678 -4.087 1.00 0.00 C ATOM 1625 CG GLN A 99 10.449 0.736 -4.589 1.00 0.00 C ATOM 1626 CD GLN A 99 10.646 0.865 -6.085 1.00 0.00 C ATOM 1627 OE1 GLN A 99 10.457 -0.092 -6.833 1.00 0.00 O ATOM 1628 NE2 GLN A 99 11.017 2.050 -6.536 1.00 0.00 N ATOM 0 H GLN A 99 10.896 -2.869 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 99 11.239 -0.220 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.724 -0.966 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.038 -1.365 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.431 1.030 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.119 1.427 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.164 2.821 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.156 2.194 -7.536 1.00 0.00 H new ATOM 1637 N HIS A 100 8.131 -1.245 -2.436 1.00 0.00 N ATOM 1638 CA HIS A 100 6.744 -0.974 -2.075 1.00 0.00 C ATOM 1639 C HIS A 100 6.626 -0.788 -0.561 1.00 0.00 C ATOM 1640 O HIS A 100 5.958 0.129 -0.083 1.00 0.00 O ATOM 1641 CB HIS A 100 5.869 -2.145 -2.538 1.00 0.00 C ATOM 1642 CG HIS A 100 4.393 -1.866 -2.551 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.508 -2.515 -3.381 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.646 -1.008 -1.811 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.284 -2.046 -3.128 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.308 -1.124 -2.181 1.00 0.00 N ATOM 0 H HIS A 100 8.274 -2.143 -2.898 1.00 0.00 H new ATOM 0 HA HIS A 100 6.409 -0.058 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.178 -2.435 -3.542 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.057 -2.999 -1.887 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.746 -3.229 -4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.029 -0.340 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.389 -2.378 -3.633 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.515 -0.607 -1.802 1.00 0.00 H new ATOM 1654 N LEU A 101 7.307 -1.660 0.178 1.00 0.00 N ATOM 1655 CA LEU A 101 7.289 -1.636 1.637 1.00 0.00 C ATOM 1656 C LEU A 101 7.759 -0.288 2.176 1.00 0.00 C ATOM 1657 O LEU A 101 7.165 0.256 3.109 1.00 0.00 O ATOM 1658 CB LEU A 101 8.186 -2.749 2.179 1.00 0.00 C ATOM 1659 CG LEU A 101 8.195 -2.907 3.701 1.00 0.00 C ATOM 1660 CD1 LEU A 101 6.817 -3.295 4.208 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.230 -3.939 4.118 1.00 0.00 C ATOM 0 H LEU A 101 7.885 -2.401 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 101 6.262 -1.793 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.871 -3.694 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.207 -2.564 1.845 1.00 0.00 H new ATOM 0 HG LEU A 101 8.463 -1.949 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.845 -3.402 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.099 -2.521 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.517 -4.241 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.225 -4.041 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.990 -4.900 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.218 -3.617 3.788 1.00 0.00 H new ATOM 1673 N GLN A 102 8.824 0.240 1.580 1.00 0.00 N ATOM 1674 CA GLN A 102 9.417 1.489 1.998 1.00 0.00 C ATOM 1675 C GLN A 102 8.405 2.632 1.957 1.00 0.00 C ATOM 1676 O GLN A 102 8.333 3.446 2.879 1.00 0.00 O ATOM 1677 CB GLN A 102 10.589 1.798 1.072 1.00 0.00 C ATOM 1678 CG GLN A 102 11.704 0.764 1.103 1.00 0.00 C ATOM 1679 CD GLN A 102 12.493 0.762 2.400 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.977 1.097 3.467 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.756 0.379 2.317 1.00 0.00 N ATOM 0 H GLN A 102 9.297 -0.196 0.789 1.00 0.00 H new ATOM 0 HA GLN A 102 9.757 1.393 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.217 1.883 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.003 2.769 1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.275 -0.226 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.385 0.951 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.149 0.109 1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.337 0.354 3.155 1.00 0.00 H new ATOM 1690 N ASP A 103 7.621 2.680 0.889 1.00 0.00 N ATOM 1691 CA ASP A 103 6.662 3.759 0.689 1.00 0.00 C ATOM 1692 C ASP A 103 5.529 3.662 1.705 1.00 0.00 C ATOM 1693 O ASP A 103 5.174 4.648 2.354 1.00 0.00 O ATOM 1694 CB ASP A 103 6.081 3.707 -0.726 1.00 0.00 C ATOM 1695 CG ASP A 103 5.600 5.059 -1.220 1.00 0.00 C ATOM 1696 OD1 ASP A 103 5.622 6.035 -0.444 1.00 0.00 O ATOM 1697 OD2 ASP A 103 5.205 5.152 -2.400 1.00 0.00 O ATOM 0 H ASP A 103 7.630 1.982 0.145 1.00 0.00 H new ATOM 0 HA ASP A 103 7.186 4.705 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.839 3.325 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.250 3.002 -0.746 1.00 0.00 H new ATOM 1702 N GLU A 104 4.988 2.454 1.859 1.00 0.00 N ATOM 1703 CA GLU A 104 3.832 2.231 2.726 1.00 0.00 C ATOM 1704 C GLU A 104 4.127 2.604 4.179 1.00 0.00 C ATOM 1705 O GLU A 104 3.237 3.064 4.895 1.00 0.00 O ATOM 1706 CB GLU A 104 3.364 0.775 2.648 1.00 0.00 C ATOM 1707 CG GLU A 104 2.961 0.324 1.249 1.00 0.00 C ATOM 1708 CD GLU A 104 1.801 1.113 0.664 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.259 2.015 1.346 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.417 0.839 -0.499 1.00 0.00 O ATOM 0 H GLU A 104 5.332 1.614 1.394 1.00 0.00 H new ATOM 0 HA GLU A 104 3.035 2.882 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.163 0.128 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.516 0.641 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.821 0.414 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.692 -0.732 1.280 1.00 0.00 H new ATOM 1717 N GLN A 105 5.372 2.408 4.615 1.00 0.00 N ATOM 1718 CA GLN A 105 5.769 2.762 5.969 1.00 0.00 C ATOM 1719 C GLN A 105 5.588 4.254 6.201 1.00 0.00 C ATOM 1720 O GLN A 105 4.979 4.675 7.183 1.00 0.00 O ATOM 1721 CB GLN A 105 7.225 2.380 6.218 1.00 0.00 C ATOM 1722 CG GLN A 105 7.505 0.892 6.112 1.00 0.00 C ATOM 1723 CD GLN A 105 8.930 0.542 6.487 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.476 -0.469 5.833 1.00 0.00 O flip ATOM 1725 NE2 GLN A 105 9.538 1.183 7.348 1.00 0.00 N flip ATOM 0 H GLN A 105 6.118 2.006 4.048 1.00 0.00 H new ATOM 0 HA GLN A 105 5.134 2.212 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.855 2.909 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.514 2.723 7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.818 0.349 6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.309 0.560 5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.078 1.956 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.501 0.940 7.580 1.00 0.00 H new ATOM 1734 N ARG A 106 6.110 5.045 5.274 1.00 0.00 N ATOM 1735 CA ARG A 106 6.020 6.499 5.352 1.00 0.00 C ATOM 1736 C ARG A 106 4.572 6.959 5.191 1.00 0.00 C ATOM 1737 O ARG A 106 4.181 7.986 5.745 1.00 0.00 O ATOM 1738 CB ARG A 106 6.919 7.153 4.293 1.00 0.00 C ATOM 1739 CG ARG A 106 8.384 7.304 4.705 1.00 0.00 C ATOM 1740 CD ARG A 106 9.007 5.985 5.142 1.00 0.00 C ATOM 1741 NE ARG A 106 10.463 6.075 5.288 1.00 0.00 N ATOM 1742 CZ ARG A 106 11.126 5.776 6.412 1.00 0.00 C ATOM 1743 NH1 ARG A 106 10.468 5.494 7.530 1.00 0.00 N ATOM 1744 NH2 ARG A 106 12.451 5.791 6.427 1.00 0.00 N ATOM 0 H ARG A 106 6.605 4.701 4.451 1.00 0.00 H new ATOM 0 HA ARG A 106 6.369 6.812 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.872 6.560 3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.519 8.139 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.953 7.711 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.456 8.024 5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.568 5.676 6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.765 5.213 4.412 1.00 0.00 H new ATOM 0 HE ARG A 106 11.005 6.385 4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.448 5.504 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.982 5.267 8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.968 6.031 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.954 5.563 7.285 1.00 0.00 H new ATOM 1758 N HIS A 107 3.788 6.212 4.416 1.00 0.00 N ATOM 1759 CA HIS A 107 2.352 6.467 4.308 1.00 0.00 C ATOM 1760 C HIS A 107 1.717 6.410 5.688 1.00 0.00 C ATOM 1761 O HIS A 107 1.006 7.330 6.100 1.00 0.00 O ATOM 1762 CB HIS A 107 1.666 5.434 3.405 1.00 0.00 C ATOM 1763 CG HIS A 107 1.982 5.563 1.948 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.435 4.709 1.017 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.787 6.450 1.319 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.924 5.101 -0.151 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.750 6.149 -0.019 1.00 0.00 N ATOM 0 H HIS A 107 4.121 5.428 3.855 1.00 0.00 H new ATOM 0 HA HIS A 107 2.221 7.456 3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.952 4.436 3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.587 5.517 3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.352 7.245 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.686 4.633 -1.095 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.252 6.628 -0.766 1.00 0.00 H new ATOM 1775 N VAL A 108 2.001 5.327 6.407 1.00 0.00 N ATOM 1776 CA VAL A 108 1.501 5.147 7.763 1.00 0.00 C ATOM 1777 C VAL A 108 1.998 6.269 8.666 1.00 0.00 C ATOM 1778 O VAL A 108 1.226 6.866 9.408 1.00 0.00 O ATOM 1779 CB VAL A 108 1.942 3.786 8.355 1.00 0.00 C ATOM 1780 CG1 VAL A 108 1.512 3.644 9.810 1.00 0.00 C ATOM 1781 CG2 VAL A 108 1.385 2.644 7.522 1.00 0.00 C ATOM 0 H VAL A 108 2.579 4.558 6.068 1.00 0.00 H new ATOM 0 HA VAL A 108 0.412 5.169 7.713 1.00 0.00 H new ATOM 0 HB VAL A 108 3.031 3.746 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.838 2.677 10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.964 4.440 10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.426 3.713 9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.703 1.693 7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.296 2.694 7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.756 2.724 6.500 1.00 0.00 H new ATOM 1791 N GLU A 109 3.286 6.562 8.562 1.00 0.00 N ATOM 1792 CA GLU A 109 3.930 7.577 9.383 1.00 0.00 C ATOM 1793 C GLU A 109 3.304 8.960 9.192 1.00 0.00 C ATOM 1794 O GLU A 109 3.215 9.742 10.141 1.00 0.00 O ATOM 1795 CB GLU A 109 5.423 7.600 9.068 1.00 0.00 C ATOM 1796 CG GLU A 109 6.170 6.445 9.706 1.00 0.00 C ATOM 1797 CD GLU A 109 7.650 6.458 9.410 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.403 7.149 10.132 1.00 0.00 O ATOM 1799 OE2 GLU A 109 8.074 5.760 8.468 1.00 0.00 O ATOM 0 H GLU A 109 3.915 6.102 7.904 1.00 0.00 H new ATOM 0 HA GLU A 109 3.782 7.317 10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.563 7.566 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.850 8.541 9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.022 6.477 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.744 5.506 9.353 1.00 0.00 H new ATOM 1806 N GLU A 110 2.877 9.260 7.974 1.00 0.00 N ATOM 1807 CA GLU A 110 2.244 10.541 7.685 1.00 0.00 C ATOM 1808 C GLU A 110 0.842 10.608 8.297 1.00 0.00 C ATOM 1809 O GLU A 110 0.504 11.562 8.998 1.00 0.00 O ATOM 1810 CB GLU A 110 2.157 10.759 6.171 1.00 0.00 C ATOM 1811 CG GLU A 110 1.723 12.162 5.776 1.00 0.00 C ATOM 1812 CD GLU A 110 2.785 13.210 6.054 1.00 0.00 C ATOM 1813 OE1 GLU A 110 2.833 13.738 7.184 1.00 0.00 O ATOM 1814 OE2 GLU A 110 3.572 13.516 5.131 1.00 0.00 O ATOM 0 H GLU A 110 2.956 8.636 7.171 1.00 0.00 H new ATOM 0 HA GLU A 110 2.855 11.327 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.131 10.552 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.455 10.040 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.476 12.175 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.813 12.421 6.318 1.00 0.00 H new ATOM 1821 N ILE A 111 0.047 9.569 8.052 1.00 0.00 N ATOM 1822 CA ILE A 111 -1.355 9.535 8.480 1.00 0.00 C ATOM 1823 C ILE A 111 -1.480 9.381 9.995 1.00 0.00 C ATOM 1824 O ILE A 111 -2.385 9.941 10.615 1.00 0.00 O ATOM 1825 CB ILE A 111 -2.125 8.387 7.786 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -2.027 8.534 6.267 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -3.585 8.376 8.222 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.701 7.414 5.506 1.00 0.00 C ATOM 0 H ILE A 111 0.351 8.731 7.555 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.793 10.489 8.188 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.673 7.440 8.081 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.475 9.483 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.976 8.575 5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.108 7.561 7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.641 8.235 9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.052 9.324 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.591 7.584 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.238 6.464 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.760 7.386 5.762 1.00 0.00 H new ATOM 1840 N GLU A 112 -0.559 8.620 10.576 1.00 0.00 N ATOM 1841 CA GLU A 112 -0.568 8.293 11.993 1.00 0.00 C ATOM 1842 C GLU A 112 -0.606 9.539 12.880 1.00 0.00 C ATOM 1843 O GLU A 112 -1.107 9.495 14.005 1.00 0.00 O ATOM 1844 CB GLU A 112 0.696 7.493 12.280 1.00 0.00 C ATOM 1845 CG GLU A 112 0.541 6.416 13.325 1.00 0.00 C ATOM 1846 CD GLU A 112 0.601 6.949 14.739 1.00 0.00 C ATOM 1847 OE1 GLU A 112 1.686 7.402 15.166 1.00 0.00 O ATOM 1848 OE2 GLU A 112 -0.433 6.909 15.440 1.00 0.00 O ATOM 0 H GLU A 112 0.224 8.209 10.068 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.468 7.723 12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.036 7.033 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.479 8.180 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.411 5.907 13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.326 5.671 13.190 1.00 0.00 H new ATOM 1855 N LYS A 113 -0.085 10.645 12.379 1.00 0.00 N ATOM 1856 CA LYS A 113 0.036 11.843 13.193 1.00 0.00 C ATOM 1857 C LYS A 113 -1.225 12.694 13.133 1.00 0.00 C ATOM 1858 O LYS A 113 -2.239 12.372 13.760 1.00 0.00 O ATOM 1859 CB LYS A 113 1.275 12.648 12.785 1.00 0.00 C ATOM 1860 CG LYS A 113 2.550 11.815 12.764 1.00 0.00 C ATOM 1861 CD LYS A 113 2.712 11.017 14.048 1.00 0.00 C ATOM 1862 CE LYS A 113 3.819 9.983 13.924 1.00 0.00 C ATOM 1863 NZ LYS A 113 3.814 9.025 15.062 1.00 0.00 N ATOM 0 H LYS A 113 0.258 10.740 11.423 1.00 0.00 H new ATOM 0 HA LYS A 113 0.160 11.532 14.230 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.112 13.077 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.404 13.481 13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.529 11.136 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 113 3.412 12.469 12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.935 11.694 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.773 10.519 14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.702 9.436 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.784 10.488 13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.778 8.667 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.480 9.508 15.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 3.181 8.229 14.843 1.00 0.00 H new ATOM 1877 N LYS A 114 -1.160 13.769 12.384 1.00 0.00 N ATOM 1878 CA LYS A 114 -2.268 14.711 12.308 1.00 0.00 C ATOM 1879 C LYS A 114 -2.342 15.358 10.932 1.00 0.00 C ATOM 1880 O LYS A 114 -3.376 15.299 10.269 1.00 0.00 O ATOM 1881 CB LYS A 114 -2.090 15.794 13.372 1.00 0.00 C ATOM 1882 CG LYS A 114 -3.302 16.691 13.563 1.00 0.00 C ATOM 1883 CD LYS A 114 -2.974 17.874 14.461 1.00 0.00 C ATOM 1884 CE LYS A 114 -2.287 17.437 15.746 1.00 0.00 C ATOM 1885 NZ LYS A 114 -1.916 18.596 16.595 1.00 0.00 N ATOM 0 H LYS A 114 -0.352 14.020 11.814 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.196 14.166 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.853 15.317 14.323 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.234 16.413 13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.648 17.051 12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.119 16.116 13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.330 18.570 13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.891 18.411 14.704 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.948 16.775 16.304 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.392 16.864 15.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.450 18.257 17.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.265 19.215 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.772 19.129 16.848 1.00 0.00 H new ATOM 1899 N ASN A 115 -1.235 15.977 10.525 1.00 0.00 N ATOM 1900 CA ASN A 115 -1.152 16.715 9.265 1.00 0.00 C ATOM 1901 C ASN A 115 -2.088 17.922 9.299 1.00 0.00 C ATOM 1902 O ASN A 115 -3.205 17.842 8.750 1.00 0.00 O ATOM 1903 CB ASN A 115 -1.469 15.812 8.065 1.00 0.00 C ATOM 1904 CG ASN A 115 -1.183 16.494 6.738 1.00 0.00 C ATOM 1905 OD1 ASN A 115 -2.051 17.139 6.150 1.00 0.00 O ATOM 1906 ND2 ASN A 115 0.045 16.363 6.259 1.00 0.00 N ATOM 1907 OXT ASN A 115 -1.708 18.937 9.913 1.00 0.00 O ATOM 0 H ASN A 115 -0.367 15.981 11.061 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.128 17.069 9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.880 14.898 8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.518 15.518 8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 115 0.297 16.805 5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 115 0.738 15.821 6.774 1.00 0.00 H new TER 1914 ASN A 115 HETATM 1915 ZN ZN A 300 0.719 0.680 -1.960 1.00 0.00 ZN HETATM 1916 ZN ZN A 400 -0.016 2.997 1.342 1.00 0.00 ZN