USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 964 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 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 100 HIS HE2 : A 100 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -1.24 K(o=-0.21,f=-7.3!) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 1.03 K(o=-0.21,f=-7.1!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.27 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.21 (180deg=0.691) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.969 K(o=0.97,f=-0.83) USER MOD Single : A 13 GLN : amide:sc=-0.00628 X(o=-0.0063,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0649 (180deg=-0.309) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= -1.21 (180deg=-3.39!) USER MOD Single : A 23 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.18) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 1.33 (180deg=1.07) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.27 F(o=-5.9!,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 0.591 (180deg=-0.733) USER MOD Single : A 46 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.74) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.21) USER MOD Single : A 51 TYR OH : rot 58:sc= 0.0558 USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.776) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.00534 K(o=0.0053,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.1 (180deg=0.712) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.23) USER MOD Single : A 76 LYS NZ :NH3+ -116:sc= 0.0704 (180deg=0.0479) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc=-0.00895 (180deg=-0.166) USER MOD Single : A 85 SER OG : rot -85:sc= 1.12 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0514 K(o=-0.051,f=-0.6) USER MOD Single : A 89 ASN : amide:sc= -1.16! C(o=-1.2!,f=-3.9!) USER MOD Single : A 92 GLN : amide:sc= 0.923 K(o=0.92,f=-7.8!) USER MOD Single : A 95 SER OG : rot 66:sc= 0.962 USER MOD Single : A 98 GLN : amide:sc= -0.592 K(o=-0.59,f=-4.8!) USER MOD Single : A 99 GLN : amide:sc= 0.168 K(o=0.17,f=-2) USER MOD Single : A 102 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.79) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 113 LYS NZ :NH3+ -175:sc= 2.51 (180deg=2.35) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.374 -19.394 1.172 1.00 0.00 N ATOM 2 CA MET A 1 -6.295 -18.701 0.427 1.00 0.00 C ATOM 3 C MET A 1 -6.897 -17.591 -0.418 1.00 0.00 C ATOM 4 O MET A 1 -6.416 -16.459 -0.417 1.00 0.00 O ATOM 5 CB MET A 1 -5.539 -19.688 -0.472 1.00 0.00 C ATOM 6 CG MET A 1 -4.846 -20.803 0.295 1.00 0.00 C ATOM 7 SD MET A 1 -4.104 -22.042 -0.784 1.00 0.00 S ATOM 8 CE MET A 1 -5.543 -22.611 -1.688 1.00 0.00 C ATOM 0 H1 MET A 1 -7.025 -19.671 2.112 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.187 -18.755 1.280 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.668 -20.243 0.648 1.00 0.00 H new ATOM 0 HA MET A 1 -5.590 -18.276 1.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.238 -20.128 -1.183 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.796 -19.142 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.073 -20.373 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.568 -21.287 0.953 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.363 -23.619 -2.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.409 -22.619 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.734 -21.942 -2.527 1.00 0.00 H new ATOM 20 N ASP A 2 -7.963 -17.928 -1.124 1.00 0.00 N ATOM 21 CA ASP A 2 -8.704 -16.963 -1.917 1.00 0.00 C ATOM 22 C ASP A 2 -9.884 -16.441 -1.108 1.00 0.00 C ATOM 23 O ASP A 2 -11.020 -16.893 -1.271 1.00 0.00 O ATOM 24 CB ASP A 2 -9.183 -17.614 -3.215 1.00 0.00 C ATOM 25 CG ASP A 2 -9.948 -16.668 -4.117 1.00 0.00 C ATOM 26 OD1 ASP A 2 -9.315 -15.827 -4.775 1.00 0.00 O ATOM 27 OD2 ASP A 2 -11.189 -16.788 -4.192 1.00 0.00 O ATOM 0 H ASP A 2 -8.338 -18.876 -1.163 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.056 -16.125 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.321 -18.003 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.818 -18.466 -2.972 1.00 0.00 H new ATOM 32 N GLU A 3 -9.597 -15.532 -0.190 1.00 0.00 N ATOM 33 CA GLU A 3 -10.629 -14.973 0.669 1.00 0.00 C ATOM 34 C GLU A 3 -11.435 -13.914 -0.076 1.00 0.00 C ATOM 35 O GLU A 3 -12.613 -14.117 -0.371 1.00 0.00 O ATOM 36 CB GLU A 3 -10.024 -14.384 1.953 1.00 0.00 C ATOM 37 CG GLU A 3 -9.707 -15.419 3.031 1.00 0.00 C ATOM 38 CD GLU A 3 -8.572 -16.354 2.661 1.00 0.00 C ATOM 39 OE1 GLU A 3 -7.402 -15.981 2.879 1.00 0.00 O ATOM 40 OE2 GLU A 3 -8.841 -17.468 2.165 1.00 0.00 O ATOM 0 H GLU A 3 -8.660 -15.166 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.301 -15.783 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.108 -13.850 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.717 -13.650 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.453 -14.901 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.602 -16.009 3.231 1.00 0.00 H new ATOM 47 N LEU A 4 -10.797 -12.798 -0.397 1.00 0.00 N ATOM 48 CA LEU A 4 -11.481 -11.709 -1.080 1.00 0.00 C ATOM 49 C LEU A 4 -10.611 -11.178 -2.217 1.00 0.00 C ATOM 50 O LEU A 4 -9.554 -10.589 -1.983 1.00 0.00 O ATOM 51 CB LEU A 4 -11.821 -10.594 -0.083 1.00 0.00 C ATOM 52 CG LEU A 4 -13.125 -9.829 -0.351 1.00 0.00 C ATOM 53 CD1 LEU A 4 -13.045 -9.034 -1.645 1.00 0.00 C ATOM 54 CD2 LEU A 4 -14.306 -10.788 -0.392 1.00 0.00 C ATOM 0 H LEU A 4 -9.812 -12.623 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.413 -12.081 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.877 -11.030 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.998 -9.879 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.271 -9.124 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.984 -8.504 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.229 -8.314 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.865 -9.713 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.222 -10.229 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.154 -11.518 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.389 -11.304 0.564 1.00 0.00 H new ATOM 66 N ARG A 5 -11.075 -11.385 -3.443 1.00 0.00 N ATOM 67 CA ARG A 5 -10.321 -11.035 -4.647 1.00 0.00 C ATOM 68 C ARG A 5 -10.100 -9.531 -4.763 1.00 0.00 C ATOM 69 O ARG A 5 -9.000 -9.077 -5.069 1.00 0.00 O ATOM 70 CB ARG A 5 -11.070 -11.529 -5.884 1.00 0.00 C ATOM 71 CG ARG A 5 -11.239 -13.036 -5.935 1.00 0.00 C ATOM 72 CD ARG A 5 -12.184 -13.450 -7.052 1.00 0.00 C ATOM 73 NE ARG A 5 -11.795 -12.879 -8.341 1.00 0.00 N ATOM 74 CZ ARG A 5 -11.068 -13.527 -9.252 1.00 0.00 C ATOM 75 NH1 ARG A 5 -10.671 -14.774 -9.031 1.00 0.00 N ATOM 76 NH2 ARG A 5 -10.748 -12.933 -10.395 1.00 0.00 N ATOM 0 H ARG A 5 -11.986 -11.801 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.345 -11.516 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.054 -11.061 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.535 -11.202 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.268 -13.508 -6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.624 -13.393 -4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.201 -14.537 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.197 -13.132 -6.806 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.098 -11.929 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.922 -15.242 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.115 -15.264 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.058 -11.979 -10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.192 -13.431 -11.090 1.00 0.00 H new ATOM 90 N GLU A 6 -11.152 -8.769 -4.513 1.00 0.00 N ATOM 91 CA GLU A 6 -11.123 -7.321 -4.694 1.00 0.00 C ATOM 92 C GLU A 6 -10.076 -6.660 -3.798 1.00 0.00 C ATOM 93 O GLU A 6 -9.435 -5.684 -4.192 1.00 0.00 O ATOM 94 CB GLU A 6 -12.509 -6.743 -4.418 1.00 0.00 C ATOM 95 CG GLU A 6 -13.599 -7.404 -5.246 1.00 0.00 C ATOM 96 CD GLU A 6 -14.972 -6.827 -4.981 1.00 0.00 C ATOM 97 OE1 GLU A 6 -15.332 -5.831 -5.640 1.00 0.00 O ATOM 98 OE2 GLU A 6 -15.696 -7.372 -4.124 1.00 0.00 O ATOM 0 H GLU A 6 -12.046 -9.130 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.842 -7.111 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.742 -6.860 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.499 -5.673 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.362 -7.293 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.612 -8.473 -5.033 1.00 0.00 H new ATOM 105 N LEU A 7 -9.893 -7.204 -2.601 1.00 0.00 N ATOM 106 CA LEU A 7 -8.943 -6.653 -1.640 1.00 0.00 C ATOM 107 C LEU A 7 -7.504 -6.760 -2.145 1.00 0.00 C ATOM 108 O LEU A 7 -6.650 -5.948 -1.777 1.00 0.00 O ATOM 109 CB LEU A 7 -9.081 -7.353 -0.290 1.00 0.00 C ATOM 110 CG LEU A 7 -10.408 -7.107 0.438 1.00 0.00 C ATOM 111 CD1 LEU A 7 -10.430 -7.840 1.770 1.00 0.00 C ATOM 112 CD2 LEU A 7 -10.635 -5.618 0.651 1.00 0.00 C ATOM 0 H LEU A 7 -10.392 -8.030 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.176 -5.595 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.961 -8.426 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.265 -7.028 0.355 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.215 -7.494 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.379 -7.654 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.314 -8.910 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.612 -7.482 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.582 -5.465 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.823 -5.208 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.664 -5.113 -0.314 1.00 0.00 H new ATOM 124 N LEU A 8 -7.243 -7.760 -2.984 1.00 0.00 N ATOM 125 CA LEU A 8 -5.916 -7.978 -3.553 1.00 0.00 C ATOM 126 C LEU A 8 -5.464 -6.769 -4.366 1.00 0.00 C ATOM 127 O LEU A 8 -4.291 -6.403 -4.357 1.00 0.00 O ATOM 128 CB LEU A 8 -5.927 -9.210 -4.462 1.00 0.00 C ATOM 129 CG LEU A 8 -6.304 -10.529 -3.787 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.451 -11.632 -4.823 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.259 -10.913 -2.756 1.00 0.00 C ATOM 0 H LEU A 8 -7.942 -8.439 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.222 -8.132 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.625 -9.029 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.938 -9.320 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.260 -10.397 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.720 -12.564 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.232 -11.362 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.507 -11.762 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.542 -11.854 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.291 -11.028 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.192 -10.133 -1.998 1.00 0.00 H new ATOM 143 N LYS A 9 -6.412 -6.145 -5.057 1.00 0.00 N ATOM 144 CA LYS A 9 -6.114 -5.047 -5.971 1.00 0.00 C ATOM 145 C LYS A 9 -5.489 -3.855 -5.249 1.00 0.00 C ATOM 146 O LYS A 9 -4.624 -3.187 -5.806 1.00 0.00 O ATOM 147 CB LYS A 9 -7.388 -4.611 -6.708 1.00 0.00 C ATOM 148 CG LYS A 9 -7.225 -3.395 -7.623 1.00 0.00 C ATOM 149 CD LYS A 9 -6.542 -3.726 -8.951 1.00 0.00 C ATOM 150 CE LYS A 9 -5.044 -3.948 -8.801 1.00 0.00 C ATOM 151 NZ LYS A 9 -4.359 -4.029 -10.119 1.00 0.00 N ATOM 0 H LYS A 9 -7.402 -6.383 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.384 -5.412 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.749 -5.449 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.159 -4.390 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.207 -2.966 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.644 -2.633 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.997 -4.621 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.716 -2.914 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.613 -3.134 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.868 -4.868 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.341 -4.181 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.752 -4.821 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.505 -3.142 -10.641 1.00 0.00 H new ATOM 165 N ALA A 10 -5.905 -3.604 -4.014 1.00 0.00 N ATOM 166 CA ALA A 10 -5.456 -2.414 -3.296 1.00 0.00 C ATOM 167 C ALA A 10 -3.950 -2.440 -3.049 1.00 0.00 C ATOM 168 O ALA A 10 -3.246 -1.476 -3.357 1.00 0.00 O ATOM 169 CB ALA A 10 -6.203 -2.287 -1.980 1.00 0.00 C ATOM 0 H ALA A 10 -6.546 -4.201 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.673 -1.546 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.861 -1.397 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.272 -2.205 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.012 -3.168 -1.367 1.00 0.00 H new ATOM 175 N GLU A 11 -3.451 -3.555 -2.532 1.00 0.00 N ATOM 176 CA GLU A 11 -2.023 -3.698 -2.276 1.00 0.00 C ATOM 177 C GLU A 11 -1.249 -3.803 -3.584 1.00 0.00 C ATOM 178 O GLU A 11 -0.210 -3.164 -3.753 1.00 0.00 O ATOM 179 CB GLU A 11 -1.751 -4.916 -1.392 1.00 0.00 C ATOM 180 CG GLU A 11 -2.315 -4.781 0.017 1.00 0.00 C ATOM 181 CD GLU A 11 -1.583 -3.746 0.856 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.571 -2.564 0.496 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.989 -4.110 1.893 1.00 0.00 O ATOM 0 H GLU A 11 -4.011 -4.371 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.682 -2.808 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.180 -5.800 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.675 -5.078 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.369 -4.510 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.263 -5.748 0.517 1.00 0.00 H new ATOM 190 N GLN A 12 -1.772 -4.597 -4.516 1.00 0.00 N ATOM 191 CA GLN A 12 -1.141 -4.777 -5.815 1.00 0.00 C ATOM 192 C GLN A 12 -0.995 -3.444 -6.549 1.00 0.00 C ATOM 193 O GLN A 12 0.043 -3.168 -7.155 1.00 0.00 O ATOM 194 CB GLN A 12 -1.951 -5.754 -6.671 1.00 0.00 C ATOM 195 CG GLN A 12 -1.832 -7.209 -6.243 1.00 0.00 C ATOM 196 CD GLN A 12 -0.403 -7.713 -6.279 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.423 -7.228 -7.057 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.110 -8.711 -5.462 1.00 0.00 N ATOM 0 H GLN A 12 -2.635 -5.127 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.145 -5.187 -5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.001 -5.463 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.627 -5.665 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.227 -7.320 -5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.448 -7.827 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.823 -9.082 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.829 -9.109 -5.459 1.00 0.00 H new ATOM 207 N GLN A 13 -2.032 -2.619 -6.479 1.00 0.00 N ATOM 208 CA GLN A 13 -2.033 -1.333 -7.162 1.00 0.00 C ATOM 209 C GLN A 13 -1.044 -0.379 -6.509 1.00 0.00 C ATOM 210 O GLN A 13 -0.304 0.322 -7.199 1.00 0.00 O ATOM 211 CB GLN A 13 -3.434 -0.718 -7.156 1.00 0.00 C ATOM 212 CG GLN A 13 -3.576 0.472 -8.090 1.00 0.00 C ATOM 213 CD GLN A 13 -5.002 0.974 -8.181 1.00 0.00 C ATOM 214 OE1 GLN A 13 -5.780 0.512 -9.020 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.353 1.921 -7.323 1.00 0.00 N ATOM 0 H GLN A 13 -2.884 -2.819 -5.955 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.730 -1.500 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.159 -1.481 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.681 -0.405 -6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.932 1.280 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.229 0.192 -9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.676 2.273 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.301 2.298 -7.339 1.00 0.00 H new ATOM 224 N GLY A 14 -1.030 -0.364 -5.179 1.00 0.00 N ATOM 225 CA GLY A 14 -0.104 0.486 -4.456 1.00 0.00 C ATOM 226 C GLY A 14 1.335 0.175 -4.802 1.00 0.00 C ATOM 227 O GLY A 14 2.116 1.077 -5.101 1.00 0.00 O ATOM 0 H GLY A 14 -1.644 -0.926 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.315 1.530 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.255 0.358 -3.384 1.00 0.00 H new ATOM 231 N ILE A 15 1.667 -1.109 -4.807 1.00 0.00 N ATOM 232 CA ILE A 15 3.006 -1.559 -5.167 1.00 0.00 C ATOM 233 C ILE A 15 3.349 -1.155 -6.599 1.00 0.00 C ATOM 234 O ILE A 15 4.477 -0.755 -6.893 1.00 0.00 O ATOM 235 CB ILE A 15 3.131 -3.095 -5.022 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.986 -3.503 -3.554 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.454 -3.595 -5.586 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.009 -5.002 -3.323 1.00 0.00 C ATOM 0 H ILE A 15 1.023 -1.862 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 15 3.707 -1.080 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 15 2.327 -3.556 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.791 -3.045 -2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.050 -3.101 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.513 -4.677 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.519 -3.339 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.279 -3.127 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.901 -5.208 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.187 -5.467 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.956 -5.410 -3.677 1.00 0.00 H new ATOM 250 N LYS A 16 2.366 -1.252 -7.483 1.00 0.00 N ATOM 251 CA LYS A 16 2.572 -0.942 -8.889 1.00 0.00 C ATOM 252 C LYS A 16 2.906 0.540 -9.077 1.00 0.00 C ATOM 253 O LYS A 16 3.778 0.893 -9.874 1.00 0.00 O ATOM 254 CB LYS A 16 1.327 -1.310 -9.696 1.00 0.00 C ATOM 255 CG LYS A 16 1.563 -1.296 -11.194 1.00 0.00 C ATOM 256 CD LYS A 16 0.282 -1.540 -11.974 1.00 0.00 C ATOM 257 CE LYS A 16 0.550 -1.586 -13.470 1.00 0.00 C ATOM 258 NZ LYS A 16 1.211 -0.346 -13.958 1.00 0.00 N ATOM 0 H LYS A 16 1.417 -1.543 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 16 3.416 -1.530 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.988 -2.302 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.525 -0.612 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.987 -0.335 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.296 -2.060 -11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.169 -2.479 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.437 -0.750 -11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.179 -2.446 -13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.390 -1.729 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.177 -0.320 -14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.716 0.485 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.202 -0.334 -13.644 1.00 0.00 H new ATOM 272 N ILE A 17 2.213 1.400 -8.337 1.00 0.00 N ATOM 273 CA ILE A 17 2.462 2.839 -8.396 1.00 0.00 C ATOM 274 C ILE A 17 3.820 3.174 -7.778 1.00 0.00 C ATOM 275 O ILE A 17 4.533 4.055 -8.262 1.00 0.00 O ATOM 276 CB ILE A 17 1.352 3.641 -7.676 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.019 3.316 -8.279 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.631 5.138 -7.769 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.168 4.013 -7.581 1.00 0.00 C ATOM 0 H ILE A 17 1.474 1.127 -7.689 1.00 0.00 H new ATOM 0 HA ILE A 17 2.462 3.125 -9.448 1.00 0.00 H new ATOM 0 HB ILE A 17 1.345 3.354 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.020 3.598 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.179 2.239 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.841 5.688 -7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.589 5.359 -7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.662 5.438 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.107 3.737 -8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.194 3.712 -6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.032 5.093 -7.645 1.00 0.00 H new ATOM 291 N LEU A 18 4.176 2.450 -6.720 1.00 0.00 N ATOM 292 CA LEU A 18 5.463 2.634 -6.049 1.00 0.00 C ATOM 293 C LEU A 18 6.623 2.429 -7.024 1.00 0.00 C ATOM 294 O LEU A 18 7.636 3.128 -6.956 1.00 0.00 O ATOM 295 CB LEU A 18 5.590 1.659 -4.875 1.00 0.00 C ATOM 296 CG LEU A 18 4.637 1.914 -3.706 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.750 0.805 -2.673 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.930 3.262 -3.069 1.00 0.00 C ATOM 0 H LEU A 18 3.589 1.726 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 18 5.506 3.656 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.422 0.647 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.614 1.697 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 18 3.617 1.925 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.065 1.004 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.496 -0.149 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.771 0.764 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.244 3.429 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.956 3.275 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.801 4.051 -3.810 1.00 0.00 H new ATOM 310 N LYS A 19 6.462 1.475 -7.935 1.00 0.00 N ATOM 311 CA LYS A 19 7.485 1.177 -8.933 1.00 0.00 C ATOM 312 C LYS A 19 7.730 2.377 -9.847 1.00 0.00 C ATOM 313 O LYS A 19 8.867 2.650 -10.232 1.00 0.00 O ATOM 314 CB LYS A 19 7.080 -0.044 -9.762 1.00 0.00 C ATOM 315 CG LYS A 19 6.923 -1.313 -8.936 1.00 0.00 C ATOM 316 CD LYS A 19 6.369 -2.472 -9.754 1.00 0.00 C ATOM 317 CE LYS A 19 7.423 -3.119 -10.649 1.00 0.00 C ATOM 318 NZ LYS A 19 7.854 -2.239 -11.768 1.00 0.00 N ATOM 0 H LYS A 19 5.628 0.892 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 19 8.414 0.956 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.140 0.168 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.830 -0.213 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.890 -1.595 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.259 -1.116 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.960 -3.224 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.544 -2.114 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.292 -3.383 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.025 -4.048 -11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.068 -2.820 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.091 -1.570 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.705 -1.711 -11.487 1.00 0.00 H new ATOM 332 N GLU A 20 6.662 3.099 -10.177 1.00 0.00 N ATOM 333 CA GLU A 20 6.774 4.283 -11.029 1.00 0.00 C ATOM 334 C GLU A 20 7.554 5.380 -10.312 1.00 0.00 C ATOM 335 O GLU A 20 8.305 6.135 -10.929 1.00 0.00 O ATOM 336 CB GLU A 20 5.386 4.807 -11.414 1.00 0.00 C ATOM 337 CG GLU A 20 4.511 3.783 -12.117 1.00 0.00 C ATOM 338 CD GLU A 20 5.149 3.230 -13.374 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.082 3.893 -14.428 1.00 0.00 O ATOM 340 OE2 GLU A 20 5.706 2.112 -13.320 1.00 0.00 O ATOM 0 H GLU A 20 5.713 2.887 -9.870 1.00 0.00 H new ATOM 0 HA GLU A 20 7.307 3.998 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.876 5.149 -10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.504 5.675 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.298 2.962 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.556 4.242 -12.372 1.00 0.00 H new ATOM 347 N VAL A 21 7.370 5.449 -9.000 1.00 0.00 N ATOM 348 CA VAL A 21 8.056 6.433 -8.174 1.00 0.00 C ATOM 349 C VAL A 21 9.564 6.193 -8.191 1.00 0.00 C ATOM 350 O VAL A 21 10.346 7.138 -8.247 1.00 0.00 O ATOM 351 CB VAL A 21 7.539 6.389 -6.718 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.239 7.428 -5.860 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.034 6.598 -6.679 1.00 0.00 C ATOM 0 H VAL A 21 6.746 4.830 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 21 7.848 7.419 -8.590 1.00 0.00 H new ATOM 0 HB VAL A 21 7.765 5.403 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.857 7.376 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.312 7.234 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.052 8.422 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.689 6.564 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.790 7.568 -7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.543 5.812 -7.252 1.00 0.00 H new ATOM 363 N LEU A 22 9.959 4.924 -8.171 1.00 0.00 N ATOM 364 CA LEU A 22 11.373 4.558 -8.228 1.00 0.00 C ATOM 365 C LEU A 22 12.004 5.053 -9.528 1.00 0.00 C ATOM 366 O LEU A 22 13.137 5.537 -9.541 1.00 0.00 O ATOM 367 CB LEU A 22 11.535 3.039 -8.110 1.00 0.00 C ATOM 368 CG LEU A 22 11.056 2.428 -6.790 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.161 0.913 -6.838 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.863 2.981 -5.625 1.00 0.00 C ATOM 0 H LEU A 22 9.321 4.130 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 22 11.884 5.033 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.990 2.568 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.588 2.791 -8.244 1.00 0.00 H new ATOM 0 HG LEU A 22 10.010 2.697 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.817 0.494 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.543 0.531 -7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.199 0.625 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.510 2.537 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.917 2.740 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.741 4.063 -5.579 1.00 0.00 H new ATOM 382 N LYS A 23 11.246 4.947 -10.611 1.00 0.00 N ATOM 383 CA LYS A 23 11.700 5.393 -11.924 1.00 0.00 C ATOM 384 C LYS A 23 11.888 6.905 -11.945 1.00 0.00 C ATOM 385 O LYS A 23 12.823 7.422 -12.553 1.00 0.00 O ATOM 386 CB LYS A 23 10.676 4.996 -12.983 1.00 0.00 C ATOM 387 CG LYS A 23 10.410 3.505 -13.054 1.00 0.00 C ATOM 388 CD LYS A 23 9.240 3.204 -13.971 1.00 0.00 C ATOM 389 CE LYS A 23 8.963 1.715 -14.049 1.00 0.00 C ATOM 390 NZ LYS A 23 7.785 1.418 -14.903 1.00 0.00 N ATOM 0 H LYS A 23 10.305 4.553 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 23 12.657 4.918 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.738 5.513 -12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.024 5.340 -13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.301 2.990 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.202 3.121 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.351 3.722 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.450 3.589 -14.969 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.839 1.203 -14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.793 1.324 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.880 0.464 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.919 1.467 -14.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.730 2.115 -15.673 1.00 0.00 H new ATOM 404 N LYS A 24 10.996 7.607 -11.265 1.00 0.00 N ATOM 405 CA LYS A 24 11.024 9.063 -11.232 1.00 0.00 C ATOM 406 C LYS A 24 12.003 9.583 -10.185 1.00 0.00 C ATOM 407 O LYS A 24 12.423 10.740 -10.238 1.00 0.00 O ATOM 408 CB LYS A 24 9.614 9.601 -10.984 1.00 0.00 C ATOM 409 CG LYS A 24 8.747 9.561 -12.230 1.00 0.00 C ATOM 410 CD LYS A 24 9.262 10.530 -13.285 1.00 0.00 C ATOM 411 CE LYS A 24 8.562 10.343 -14.622 1.00 0.00 C ATOM 412 NZ LYS A 24 9.024 9.120 -15.329 1.00 0.00 N ATOM 0 H LYS A 24 10.238 7.190 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 24 11.374 9.422 -12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.139 9.016 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.679 10.628 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.734 8.549 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.719 9.814 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.116 11.553 -12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.335 10.388 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.485 10.284 -14.462 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.743 11.215 -15.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.754 9.176 -16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.059 9.045 -15.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.584 8.282 -14.898 1.00 0.00 H new ATOM 426 N ALA A 25 12.370 8.723 -9.244 1.00 0.00 N ATOM 427 CA ALA A 25 13.324 9.083 -8.206 1.00 0.00 C ATOM 428 C ALA A 25 14.710 9.303 -8.797 1.00 0.00 C ATOM 429 O ALA A 25 15.428 10.217 -8.395 1.00 0.00 O ATOM 430 CB ALA A 25 13.367 8.006 -7.134 1.00 0.00 C ATOM 0 H ALA A 25 12.019 7.767 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 25 12.998 10.018 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.085 8.288 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.379 7.898 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.668 7.059 -7.582 1.00 0.00 H new ATOM 436 N LYS A 26 15.080 8.464 -9.759 1.00 0.00 N ATOM 437 CA LYS A 26 16.371 8.596 -10.425 1.00 0.00 C ATOM 438 C LYS A 26 16.371 9.817 -11.347 1.00 0.00 C ATOM 439 O LYS A 26 17.414 10.424 -11.593 1.00 0.00 O ATOM 440 CB LYS A 26 16.713 7.326 -11.215 1.00 0.00 C ATOM 441 CG LYS A 26 15.796 7.076 -12.399 1.00 0.00 C ATOM 442 CD LYS A 26 16.165 5.803 -13.140 1.00 0.00 C ATOM 443 CE LYS A 26 15.288 5.611 -14.365 1.00 0.00 C ATOM 444 NZ LYS A 26 15.618 4.359 -15.095 1.00 0.00 N ATOM 0 H LYS A 26 14.507 7.689 -10.094 1.00 0.00 H new ATOM 0 HA LYS A 26 17.136 8.735 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.741 7.397 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.667 6.468 -10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.765 7.009 -12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.847 7.923 -13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.212 5.844 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.058 4.947 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.241 5.589 -14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.408 6.463 -15.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.997 4.266 -15.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.610 4.390 -15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.479 3.543 -14.465 1.00 0.00 H new ATOM 458 N GLU A 27 15.190 10.172 -11.857 1.00 0.00 N ATOM 459 CA GLU A 27 15.042 11.368 -12.680 1.00 0.00 C ATOM 460 C GLU A 27 15.147 12.611 -11.806 1.00 0.00 C ATOM 461 O GLU A 27 15.657 13.646 -12.235 1.00 0.00 O ATOM 462 CB GLU A 27 13.717 11.336 -13.447 1.00 0.00 C ATOM 463 CG GLU A 27 13.665 10.235 -14.500 1.00 0.00 C ATOM 464 CD GLU A 27 12.410 10.278 -15.346 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.158 11.314 -15.994 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.684 9.264 -15.400 1.00 0.00 O ATOM 0 H GLU A 27 14.326 9.649 -11.714 1.00 0.00 H new ATOM 0 HA GLU A 27 15.845 11.396 -13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.898 11.195 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.559 12.301 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.536 10.321 -15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.730 9.265 -14.006 1.00 0.00 H new ATOM 473 N GLY A 28 14.669 12.492 -10.574 1.00 0.00 N ATOM 474 CA GLY A 28 14.869 13.533 -9.587 1.00 0.00 C ATOM 475 C GLY A 28 14.058 14.784 -9.852 1.00 0.00 C ATOM 476 O GLY A 28 14.583 15.894 -9.764 1.00 0.00 O ATOM 0 H GLY A 28 14.142 11.685 -10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.609 13.143 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.927 13.795 -9.557 1.00 0.00 H new ATOM 480 N ASP A 29 12.788 14.618 -10.184 1.00 0.00 N ATOM 481 CA ASP A 29 11.904 15.765 -10.334 1.00 0.00 C ATOM 482 C ASP A 29 10.667 15.584 -9.472 1.00 0.00 C ATOM 483 O ASP A 29 10.014 14.540 -9.517 1.00 0.00 O ATOM 484 CB ASP A 29 11.496 15.983 -11.789 1.00 0.00 C ATOM 485 CG ASP A 29 11.001 17.396 -12.016 1.00 0.00 C ATOM 486 OD1 ASP A 29 10.033 17.815 -11.342 1.00 0.00 O ATOM 487 OD2 ASP A 29 11.605 18.109 -12.844 1.00 0.00 O ATOM 0 H ASP A 29 12.349 13.713 -10.353 1.00 0.00 H new ATOM 0 HA ASP A 29 12.453 16.648 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.347 15.784 -12.441 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.714 15.274 -12.060 1.00 0.00 H new ATOM 492 N GLU A 30 10.343 16.604 -8.693 1.00 0.00 N ATOM 493 CA GLU A 30 9.254 16.514 -7.734 1.00 0.00 C ATOM 494 C GLU A 30 7.893 16.701 -8.402 1.00 0.00 C ATOM 495 O GLU A 30 6.870 16.301 -7.851 1.00 0.00 O ATOM 496 CB GLU A 30 9.443 17.544 -6.623 1.00 0.00 C ATOM 497 CG GLU A 30 8.450 17.394 -5.484 1.00 0.00 C ATOM 498 CD GLU A 30 8.705 18.364 -4.356 1.00 0.00 C ATOM 499 OE1 GLU A 30 8.322 19.545 -4.482 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.294 17.951 -3.338 1.00 0.00 O ATOM 0 H GLU A 30 10.820 17.506 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 30 9.275 15.513 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.455 17.458 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.351 18.544 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.440 17.545 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.496 16.375 -5.099 1.00 0.00 H new ATOM 507 N GLN A 31 7.881 17.283 -9.596 1.00 0.00 N ATOM 508 CA GLN A 31 6.627 17.528 -10.302 1.00 0.00 C ATOM 509 C GLN A 31 5.886 16.213 -10.526 1.00 0.00 C ATOM 510 O GLN A 31 4.690 16.102 -10.247 1.00 0.00 O ATOM 511 CB GLN A 31 6.894 18.225 -11.636 1.00 0.00 C ATOM 512 CG GLN A 31 5.634 18.538 -12.426 1.00 0.00 C ATOM 513 CD GLN A 31 5.924 19.251 -13.732 1.00 0.00 C ATOM 514 OE1 GLN A 31 7.080 18.974 -14.314 1.00 0.00 O flip ATOM 515 NE2 GLN A 31 5.110 20.038 -14.217 1.00 0.00 N flip ATOM 0 H GLN A 31 8.717 17.592 -10.092 1.00 0.00 H new ATOM 0 HA GLN A 31 6.003 18.181 -9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.435 19.153 -11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.544 17.594 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.101 17.610 -12.634 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.973 19.156 -11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.230 20.223 -13.735 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.316 20.505 -15.100 1.00 0.00 H new ATOM 524 N GLU A 32 6.605 15.220 -11.023 1.00 0.00 N ATOM 525 CA GLU A 32 6.051 13.884 -11.192 1.00 0.00 C ATOM 526 C GLU A 32 5.890 13.185 -9.846 1.00 0.00 C ATOM 527 O GLU A 32 4.848 12.589 -9.571 1.00 0.00 O ATOM 528 CB GLU A 32 6.930 13.044 -12.123 1.00 0.00 C ATOM 529 CG GLU A 32 6.752 13.358 -13.605 1.00 0.00 C ATOM 530 CD GLU A 32 7.038 14.805 -13.954 1.00 0.00 C ATOM 531 OE1 GLU A 32 8.191 15.244 -13.792 1.00 0.00 O ATOM 532 OE2 GLU A 32 6.105 15.502 -14.411 1.00 0.00 O ATOM 0 H GLU A 32 7.577 15.313 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 32 5.065 13.988 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.975 13.198 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.710 11.989 -11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.412 12.715 -14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.731 13.116 -13.900 1.00 0.00 H new ATOM 539 N LEU A 33 6.922 13.285 -9.007 1.00 0.00 N ATOM 540 CA LEU A 33 6.944 12.597 -7.716 1.00 0.00 C ATOM 541 C LEU A 33 5.754 12.978 -6.845 1.00 0.00 C ATOM 542 O LEU A 33 5.115 12.112 -6.250 1.00 0.00 O ATOM 543 CB LEU A 33 8.245 12.902 -6.966 1.00 0.00 C ATOM 544 CG LEU A 33 9.482 12.157 -7.469 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.728 12.645 -6.747 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.311 10.659 -7.276 1.00 0.00 C ATOM 0 H LEU A 33 7.757 13.838 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 33 6.883 11.529 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.437 13.973 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.102 12.663 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 33 9.599 12.360 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.599 12.104 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.859 13.712 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.620 12.470 -5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.199 10.142 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.172 10.442 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.439 10.317 -7.834 1.00 0.00 H new ATOM 558 N ALA A 34 5.455 14.270 -6.777 1.00 0.00 N ATOM 559 CA ALA A 34 4.370 14.757 -5.934 1.00 0.00 C ATOM 560 C ALA A 34 3.030 14.173 -6.365 1.00 0.00 C ATOM 561 O ALA A 34 2.254 13.713 -5.531 1.00 0.00 O ATOM 562 CB ALA A 34 4.318 16.278 -5.954 1.00 0.00 C ATOM 0 H ALA A 34 5.948 14.998 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 34 4.567 14.428 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.502 16.623 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.261 16.679 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.154 16.623 -6.975 1.00 0.00 H new ATOM 568 N ARG A 35 2.772 14.176 -7.667 1.00 0.00 N ATOM 569 CA ARG A 35 1.529 13.650 -8.195 1.00 0.00 C ATOM 570 C ARG A 35 1.441 12.147 -7.976 1.00 0.00 C ATOM 571 O ARG A 35 0.403 11.636 -7.560 1.00 0.00 O ATOM 572 CB ARG A 35 1.417 13.964 -9.682 1.00 0.00 C ATOM 573 CG ARG A 35 0.006 13.825 -10.191 1.00 0.00 C ATOM 574 CD ARG A 35 -0.104 14.119 -11.674 1.00 0.00 C ATOM 575 NE ARG A 35 -1.484 14.005 -12.136 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.856 14.060 -13.414 1.00 0.00 C ATOM 577 NH1 ARG A 35 -0.946 14.163 -14.376 1.00 0.00 N ATOM 578 NH2 ARG A 35 -3.140 13.983 -13.733 1.00 0.00 N ATOM 0 H ARG A 35 3.411 14.539 -8.374 1.00 0.00 H new ATOM 0 HA ARG A 35 0.704 14.126 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.768 14.980 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.071 13.296 -10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.350 12.813 -9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.645 14.503 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.268 15.123 -11.876 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.527 13.427 -12.232 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.212 13.875 -11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.045 14.200 -14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.238 14.205 -15.352 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.842 13.882 -13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.426 14.025 -14.711 1.00 0.00 H new ATOM 592 N LEU A 36 2.535 11.444 -8.247 1.00 0.00 N ATOM 593 CA LEU A 36 2.582 10.002 -8.031 1.00 0.00 C ATOM 594 C LEU A 36 2.330 9.682 -6.564 1.00 0.00 C ATOM 595 O LEU A 36 1.589 8.757 -6.242 1.00 0.00 O ATOM 596 CB LEU A 36 3.933 9.428 -8.469 1.00 0.00 C ATOM 597 CG LEU A 36 4.222 9.517 -9.970 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.605 8.969 -10.281 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.163 8.771 -10.768 1.00 0.00 C ATOM 0 H LEU A 36 3.397 11.846 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 36 1.801 9.541 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.724 9.951 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.980 8.382 -8.167 1.00 0.00 H new ATOM 0 HG LEU A 36 4.193 10.567 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.792 9.041 -11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.355 9.548 -9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.661 7.925 -9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.388 8.847 -11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.157 7.722 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.184 9.209 -10.572 1.00 0.00 H new ATOM 611 N ASN A 37 2.940 10.471 -5.685 1.00 0.00 N ATOM 612 CA ASN A 37 2.753 10.320 -4.246 1.00 0.00 C ATOM 613 C ASN A 37 1.287 10.538 -3.883 1.00 0.00 C ATOM 614 O ASN A 37 0.719 9.818 -3.066 1.00 0.00 O ATOM 615 CB ASN A 37 3.633 11.323 -3.493 1.00 0.00 C ATOM 616 CG ASN A 37 3.670 11.066 -2.000 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.566 9.928 -1.556 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.820 12.124 -1.216 1.00 0.00 N ATOM 0 H ASN A 37 3.573 11.227 -5.947 1.00 0.00 H new ATOM 0 HA ASN A 37 3.043 9.309 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.647 11.279 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.263 12.332 -3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.852 12.008 -0.203 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.903 13.055 -1.625 1.00 0.00 H new ATOM 625 N GLN A 38 0.678 11.529 -4.520 1.00 0.00 N ATOM 626 CA GLN A 38 -0.727 11.832 -4.307 1.00 0.00 C ATOM 627 C GLN A 38 -1.621 10.673 -4.745 1.00 0.00 C ATOM 628 O GLN A 38 -2.617 10.366 -4.085 1.00 0.00 O ATOM 629 CB GLN A 38 -1.100 13.110 -5.055 1.00 0.00 C ATOM 630 CG GLN A 38 -0.598 14.385 -4.392 1.00 0.00 C ATOM 631 CD GLN A 38 -1.341 14.749 -3.110 1.00 0.00 C ATOM 632 OE1 GLN A 38 -1.833 13.757 -2.381 1.00 0.00 O flip ATOM 633 NE2 GLN A 38 -1.463 15.927 -2.774 1.00 0.00 N flip ATOM 0 H GLN A 38 1.141 12.140 -5.193 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.886 11.983 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.698 13.057 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.185 13.162 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.462 14.272 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.687 15.210 -5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.073 16.667 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.954 16.163 -1.912 1.00 0.00 H new ATOM 642 N GLU A 39 -1.257 10.032 -5.849 1.00 0.00 N ATOM 643 CA GLU A 39 -1.986 8.867 -6.335 1.00 0.00 C ATOM 644 C GLU A 39 -1.869 7.710 -5.349 1.00 0.00 C ATOM 645 O GLU A 39 -2.822 6.953 -5.154 1.00 0.00 O ATOM 646 CB GLU A 39 -1.459 8.437 -7.705 1.00 0.00 C ATOM 647 CG GLU A 39 -1.733 9.440 -8.817 1.00 0.00 C ATOM 648 CD GLU A 39 -3.202 9.529 -9.200 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.045 8.873 -8.545 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.522 10.251 -10.170 1.00 0.00 O ATOM 0 H GLU A 39 -0.460 10.300 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.036 9.142 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.384 8.274 -7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.910 7.481 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.387 10.424 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.152 9.164 -9.697 1.00 0.00 H new ATOM 657 N ILE A 40 -0.697 7.578 -4.732 1.00 0.00 N ATOM 658 CA ILE A 40 -0.467 6.548 -3.722 1.00 0.00 C ATOM 659 C ILE A 40 -1.393 6.756 -2.527 1.00 0.00 C ATOM 660 O ILE A 40 -2.049 5.822 -2.068 1.00 0.00 O ATOM 661 CB ILE A 40 1.001 6.552 -3.233 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.949 6.313 -4.406 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.214 5.496 -2.154 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.415 6.461 -4.051 1.00 0.00 C ATOM 0 H ILE A 40 0.111 8.174 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.678 5.585 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 40 1.217 7.529 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.780 5.310 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.706 7.013 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.253 5.517 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.561 5.705 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.981 4.511 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.024 6.276 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.601 7.471 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.676 5.742 -3.274 1.00 0.00 H new ATOM 676 N VAL A 41 -1.457 7.998 -2.054 1.00 0.00 N ATOM 677 CA VAL A 41 -2.311 8.356 -0.927 1.00 0.00 C ATOM 678 C VAL A 41 -3.755 7.920 -1.164 1.00 0.00 C ATOM 679 O VAL A 41 -4.345 7.223 -0.339 1.00 0.00 O ATOM 680 CB VAL A 41 -2.280 9.881 -0.668 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.253 10.269 0.437 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.870 10.338 -0.324 1.00 0.00 C ATOM 0 H VAL A 41 -0.923 8.778 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.920 7.834 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.592 10.383 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.210 11.346 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.265 9.985 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.982 9.754 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.869 11.413 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.529 9.821 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.200 10.107 -1.153 1.00 0.00 H new ATOM 692 N LYS A 42 -4.313 8.323 -2.299 1.00 0.00 N ATOM 693 CA LYS A 42 -5.689 7.979 -2.632 1.00 0.00 C ATOM 694 C LYS A 42 -5.871 6.473 -2.801 1.00 0.00 C ATOM 695 O LYS A 42 -6.880 5.911 -2.374 1.00 0.00 O ATOM 696 CB LYS A 42 -6.136 8.697 -3.905 1.00 0.00 C ATOM 697 CG LYS A 42 -6.295 10.198 -3.735 1.00 0.00 C ATOM 698 CD LYS A 42 -6.919 10.830 -4.969 1.00 0.00 C ATOM 699 CE LYS A 42 -8.281 10.221 -5.270 1.00 0.00 C ATOM 700 NZ LYS A 42 -8.887 10.775 -6.509 1.00 0.00 N ATOM 0 H LYS A 42 -3.835 8.887 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.310 8.306 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.409 8.505 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.085 8.275 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.917 10.404 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.321 10.650 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.024 11.904 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.259 10.692 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.179 9.140 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.951 10.401 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.813 10.330 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.010 11.802 -6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.263 10.581 -7.318 1.00 0.00 H new ATOM 714 N ALA A 43 -4.888 5.823 -3.417 1.00 0.00 N ATOM 715 CA ALA A 43 -4.963 4.390 -3.675 1.00 0.00 C ATOM 716 C ALA A 43 -4.963 3.591 -2.376 1.00 0.00 C ATOM 717 O ALA A 43 -5.781 2.686 -2.194 1.00 0.00 O ATOM 718 CB ALA A 43 -3.811 3.949 -4.567 1.00 0.00 C ATOM 0 H ALA A 43 -4.031 6.266 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.903 4.193 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.882 2.877 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.861 4.483 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.864 4.171 -4.075 1.00 0.00 H new ATOM 724 N GLU A 44 -4.058 3.936 -1.470 1.00 0.00 N ATOM 725 CA GLU A 44 -3.944 3.218 -0.210 1.00 0.00 C ATOM 726 C GLU A 44 -5.148 3.489 0.684 1.00 0.00 C ATOM 727 O GLU A 44 -5.650 2.578 1.340 1.00 0.00 O ATOM 728 CB GLU A 44 -2.651 3.582 0.517 1.00 0.00 C ATOM 729 CG GLU A 44 -1.398 3.150 -0.230 1.00 0.00 C ATOM 730 CD GLU A 44 -0.155 3.192 0.635 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.323 4.292 0.952 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.350 2.105 1.009 1.00 0.00 O ATOM 0 H GLU A 44 -3.396 4.704 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.918 2.153 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.620 4.661 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.655 3.119 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.537 2.138 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.255 3.797 -1.095 1.00 0.00 H new ATOM 739 N LYS A 45 -5.631 4.732 0.689 1.00 0.00 N ATOM 740 CA LYS A 45 -6.812 5.080 1.480 1.00 0.00 C ATOM 741 C LYS A 45 -8.054 4.377 0.954 1.00 0.00 C ATOM 742 O LYS A 45 -8.946 4.025 1.725 1.00 0.00 O ATOM 743 CB LYS A 45 -7.038 6.594 1.530 1.00 0.00 C ATOM 744 CG LYS A 45 -6.070 7.301 2.458 1.00 0.00 C ATOM 745 CD LYS A 45 -6.484 8.732 2.732 1.00 0.00 C ATOM 746 CE LYS A 45 -5.611 9.361 3.806 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.698 8.628 5.101 1.00 0.00 N ATOM 0 H LYS A 45 -5.229 5.506 0.161 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.625 4.736 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.938 7.005 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.059 6.794 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.008 6.756 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.073 7.291 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.413 9.316 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.527 8.758 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.575 9.376 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.912 10.398 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.631 9.304 5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.606 8.124 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.918 7.943 5.165 1.00 0.00 H new ATOM 761 N GLN A 46 -8.110 4.163 -0.356 1.00 0.00 N ATOM 762 CA GLN A 46 -9.197 3.394 -0.946 1.00 0.00 C ATOM 763 C GLN A 46 -9.143 1.963 -0.422 1.00 0.00 C ATOM 764 O GLN A 46 -10.173 1.352 -0.120 1.00 0.00 O ATOM 765 CB GLN A 46 -9.105 3.398 -2.473 1.00 0.00 C ATOM 766 CG GLN A 46 -10.353 2.859 -3.156 1.00 0.00 C ATOM 767 CD GLN A 46 -11.582 3.707 -2.882 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.487 4.922 -2.700 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.746 3.077 -2.854 1.00 0.00 N ATOM 0 H GLN A 46 -7.421 4.508 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.145 3.853 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.924 4.417 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.246 2.801 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.182 2.811 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.537 1.840 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.785 2.070 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.604 3.599 -2.677 1.00 0.00 H new ATOM 778 N GLY A 47 -7.926 1.443 -0.305 1.00 0.00 N ATOM 779 CA GLY A 47 -7.726 0.136 0.283 1.00 0.00 C ATOM 780 C GLY A 47 -8.123 0.121 1.745 1.00 0.00 C ATOM 781 O GLY A 47 -8.809 -0.791 2.199 1.00 0.00 O ATOM 0 H GLY A 47 -7.071 1.909 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.312 -0.604 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.679 -0.152 0.186 1.00 0.00 H new ATOM 785 N VAL A 48 -7.705 1.143 2.476 1.00 0.00 N ATOM 786 CA VAL A 48 -8.070 1.294 3.879 1.00 0.00 C ATOM 787 C VAL A 48 -9.589 1.281 4.050 1.00 0.00 C ATOM 788 O VAL A 48 -10.111 0.670 4.981 1.00 0.00 O ATOM 789 CB VAL A 48 -7.485 2.599 4.469 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.009 2.856 5.877 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.965 2.543 4.472 1.00 0.00 C ATOM 0 H VAL A 48 -7.107 1.888 2.118 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.648 0.448 4.422 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.807 3.426 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.579 3.780 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.095 2.945 5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.729 2.027 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.568 3.468 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.633 1.699 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.603 2.421 3.451 1.00 0.00 H new ATOM 801 N LYS A 49 -10.293 1.929 3.129 1.00 0.00 N ATOM 802 CA LYS A 49 -11.747 2.003 3.188 1.00 0.00 C ATOM 803 C LYS A 49 -12.365 0.607 3.064 1.00 0.00 C ATOM 804 O LYS A 49 -13.208 0.222 3.876 1.00 0.00 O ATOM 805 CB LYS A 49 -12.274 2.934 2.087 1.00 0.00 C ATOM 806 CG LYS A 49 -13.672 3.488 2.347 1.00 0.00 C ATOM 807 CD LYS A 49 -14.768 2.468 2.072 1.00 0.00 C ATOM 808 CE LYS A 49 -16.138 3.014 2.449 1.00 0.00 C ATOM 809 NZ LYS A 49 -17.246 2.137 1.980 1.00 0.00 N ATOM 0 H LYS A 49 -9.879 2.411 2.331 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.037 2.413 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.582 3.768 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.281 2.391 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.741 3.819 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.833 4.366 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.760 2.198 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.569 1.557 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.198 3.123 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.260 4.009 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.156 2.524 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.239 2.094 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.119 1.180 2.367 1.00 0.00 H new ATOM 823 N VAL A 50 -11.937 -0.157 2.062 1.00 0.00 N ATOM 824 CA VAL A 50 -12.480 -1.495 1.860 1.00 0.00 C ATOM 825 C VAL A 50 -12.034 -2.449 2.966 1.00 0.00 C ATOM 826 O VAL A 50 -12.782 -3.345 3.350 1.00 0.00 O ATOM 827 CB VAL A 50 -12.119 -2.090 0.478 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.850 -1.357 -0.633 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.622 -2.059 0.229 1.00 0.00 C ATOM 0 H VAL A 50 -11.226 0.123 1.387 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.564 -1.384 1.897 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.438 -3.132 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.581 -1.793 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.926 -1.447 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.569 -0.304 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.407 -2.485 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.269 -1.028 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.113 -2.641 0.997 1.00 0.00 H new ATOM 839 N TYR A 51 -10.829 -2.246 3.491 1.00 0.00 N ATOM 840 CA TYR A 51 -10.349 -3.056 4.605 1.00 0.00 C ATOM 841 C TYR A 51 -11.159 -2.765 5.862 1.00 0.00 C ATOM 842 O TYR A 51 -11.538 -3.681 6.589 1.00 0.00 O ATOM 843 CB TYR A 51 -8.856 -2.821 4.863 1.00 0.00 C ATOM 844 CG TYR A 51 -7.949 -3.437 3.813 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.212 -4.701 3.294 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.836 -2.756 3.338 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.394 -5.266 2.335 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.013 -3.313 2.375 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.296 -4.569 1.879 1.00 0.00 C ATOM 850 OH TYR A 51 -5.483 -5.128 0.920 1.00 0.00 O ATOM 0 H TYR A 51 -10.173 -1.535 3.167 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.481 -4.104 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.669 -1.748 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.597 -3.230 5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.072 -5.251 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.609 -1.774 3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.614 -6.249 1.945 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.154 -2.767 2.014 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.012 -5.332 0.121 1.00 0.00 H new ATOM 860 N LYS A 52 -11.429 -1.489 6.110 1.00 0.00 N ATOM 861 CA LYS A 52 -12.261 -1.085 7.238 1.00 0.00 C ATOM 862 C LYS A 52 -13.653 -1.697 7.140 1.00 0.00 C ATOM 863 O LYS A 52 -14.201 -2.184 8.130 1.00 0.00 O ATOM 864 CB LYS A 52 -12.373 0.442 7.300 1.00 0.00 C ATOM 865 CG LYS A 52 -11.330 1.114 8.182 1.00 0.00 C ATOM 866 CD LYS A 52 -11.778 1.184 9.639 1.00 0.00 C ATOM 867 CE LYS A 52 -11.861 -0.192 10.281 1.00 0.00 C ATOM 868 NZ LYS A 52 -12.491 -0.143 11.624 1.00 0.00 N ATOM 0 H LYS A 52 -11.083 -0.714 5.544 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.785 -1.448 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.288 0.842 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.365 0.707 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.391 0.565 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.136 2.121 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.081 1.804 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.753 1.669 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.434 -0.859 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.859 -0.613 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.054 -0.859 12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.352 0.801 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.509 -0.336 11.537 1.00 0.00 H new ATOM 882 N GLU A 53 -14.213 -1.665 5.942 1.00 0.00 N ATOM 883 CA GLU A 53 -15.548 -2.187 5.698 1.00 0.00 C ATOM 884 C GLU A 53 -15.581 -3.706 5.873 1.00 0.00 C ATOM 885 O GLU A 53 -16.438 -4.244 6.575 1.00 0.00 O ATOM 886 CB GLU A 53 -15.995 -1.800 4.286 1.00 0.00 C ATOM 887 CG GLU A 53 -17.447 -2.117 3.980 1.00 0.00 C ATOM 888 CD GLU A 53 -17.857 -1.630 2.607 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.876 -0.399 2.394 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.172 -2.467 1.737 1.00 0.00 O ATOM 0 H GLU A 53 -13.758 -1.279 5.115 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.235 -1.754 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.832 -0.731 4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.363 -2.316 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.604 -3.194 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.085 -1.656 4.734 1.00 0.00 H new ATOM 897 N ALA A 54 -14.626 -4.388 5.253 1.00 0.00 N ATOM 898 CA ALA A 54 -14.585 -5.844 5.273 1.00 0.00 C ATOM 899 C ALA A 54 -14.229 -6.386 6.652 1.00 0.00 C ATOM 900 O ALA A 54 -14.732 -7.430 7.054 1.00 0.00 O ATOM 901 CB ALA A 54 -13.599 -6.359 4.236 1.00 0.00 C ATOM 0 H ALA A 54 -13.867 -3.954 4.728 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.585 -6.201 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.579 -7.448 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.906 -6.026 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.604 -5.972 4.456 1.00 0.00 H new ATOM 907 N ALA A 55 -13.368 -5.676 7.374 1.00 0.00 N ATOM 908 CA ALA A 55 -12.914 -6.129 8.689 1.00 0.00 C ATOM 909 C ALA A 55 -14.066 -6.201 9.683 1.00 0.00 C ATOM 910 O ALA A 55 -14.246 -7.209 10.370 1.00 0.00 O ATOM 911 CB ALA A 55 -11.822 -5.214 9.225 1.00 0.00 C ATOM 0 H ALA A 55 -12.970 -4.786 7.074 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.508 -7.133 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.498 -5.568 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.975 -5.218 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.210 -4.199 9.317 1.00 0.00 H new ATOM 917 N GLU A 56 -14.858 -5.139 9.743 1.00 0.00 N ATOM 918 CA GLU A 56 -15.969 -5.067 10.684 1.00 0.00 C ATOM 919 C GLU A 56 -17.106 -5.993 10.264 1.00 0.00 C ATOM 920 O GLU A 56 -17.927 -6.398 11.088 1.00 0.00 O ATOM 921 CB GLU A 56 -16.466 -3.627 10.810 1.00 0.00 C ATOM 922 CG GLU A 56 -15.459 -2.705 11.478 1.00 0.00 C ATOM 923 CD GLU A 56 -15.926 -1.267 11.539 1.00 0.00 C ATOM 924 OE1 GLU A 56 -17.024 -1.015 12.074 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.193 -0.381 11.049 1.00 0.00 O ATOM 0 H GLU A 56 -14.752 -4.315 9.151 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.611 -5.399 11.658 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.700 -3.242 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.394 -3.618 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.263 -3.061 12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.515 -2.752 10.935 1.00 0.00 H new ATOM 932 N LYS A 57 -17.143 -6.339 8.985 1.00 0.00 N ATOM 933 CA LYS A 57 -18.155 -7.243 8.470 1.00 0.00 C ATOM 934 C LYS A 57 -17.636 -8.675 8.396 1.00 0.00 C ATOM 935 O LYS A 57 -18.355 -9.584 7.977 1.00 0.00 O ATOM 936 CB LYS A 57 -18.617 -6.781 7.092 1.00 0.00 C ATOM 937 CG LYS A 57 -19.459 -5.518 7.126 1.00 0.00 C ATOM 938 CD LYS A 57 -20.040 -5.209 5.759 1.00 0.00 C ATOM 939 CE LYS A 57 -20.873 -3.939 5.781 1.00 0.00 C ATOM 940 NZ LYS A 57 -21.506 -3.676 4.462 1.00 0.00 N ATOM 0 H LYS A 57 -16.481 -6.005 8.285 1.00 0.00 H new ATOM 0 HA LYS A 57 -19.001 -7.228 9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.743 -6.608 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -19.193 -7.579 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -20.266 -5.635 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.849 -4.680 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.232 -5.103 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.657 -6.044 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -21.645 -4.023 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -20.242 -3.094 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -22.067 -2.802 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.768 -3.571 3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -22.127 -4.471 4.210 1.00 0.00 H new ATOM 954 N ALA A 58 -16.389 -8.872 8.805 1.00 0.00 N ATOM 955 CA ALA A 58 -15.778 -10.191 8.773 1.00 0.00 C ATOM 956 C ALA A 58 -16.387 -11.092 9.835 1.00 0.00 C ATOM 957 O ALA A 58 -16.449 -10.728 11.010 1.00 0.00 O ATOM 958 CB ALA A 58 -14.273 -10.087 8.969 1.00 0.00 C ATOM 0 H ALA A 58 -15.782 -8.134 9.162 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.972 -10.632 7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.833 -11.084 8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.844 -9.479 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.063 -9.623 9.933 1.00 0.00 H new ATOM 964 N ARG A 59 -16.833 -12.264 9.411 1.00 0.00 N ATOM 965 CA ARG A 59 -17.458 -13.226 10.309 1.00 0.00 C ATOM 966 C ARG A 59 -16.391 -13.966 11.117 1.00 0.00 C ATOM 967 O ARG A 59 -16.662 -14.478 12.205 1.00 0.00 O ATOM 968 CB ARG A 59 -18.330 -14.200 9.494 1.00 0.00 C ATOM 969 CG ARG A 59 -19.160 -15.173 10.326 1.00 0.00 C ATOM 970 CD ARG A 59 -18.409 -16.467 10.602 1.00 0.00 C ATOM 971 NE ARG A 59 -18.035 -17.155 9.367 1.00 0.00 N ATOM 972 CZ ARG A 59 -16.936 -17.894 9.225 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.100 -18.053 10.245 1.00 0.00 N ATOM 974 NH2 ARG A 59 -16.685 -18.484 8.063 1.00 0.00 N ATOM 0 H ARG A 59 -16.773 -12.575 8.441 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.101 -12.703 11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.003 -13.620 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.684 -14.773 8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.432 -14.702 11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.089 -15.397 9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.512 -16.250 11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.030 -17.125 11.210 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.656 -17.063 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.299 -17.608 11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.260 -18.620 10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.333 -18.371 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.845 -19.051 7.950 1.00 0.00 H new ATOM 988 N ASN A 60 -15.174 -14.008 10.592 1.00 0.00 N ATOM 989 CA ASN A 60 -14.072 -14.677 11.273 1.00 0.00 C ATOM 990 C ASN A 60 -13.111 -13.655 11.885 1.00 0.00 C ATOM 991 O ASN A 60 -12.509 -12.850 11.173 1.00 0.00 O ATOM 992 CB ASN A 60 -13.329 -15.597 10.299 1.00 0.00 C ATOM 993 CG ASN A 60 -12.117 -16.258 10.929 1.00 0.00 C ATOM 994 OD1 ASN A 60 -11.002 -15.757 10.831 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.327 -17.386 11.586 1.00 0.00 N ATOM 0 H ASN A 60 -14.924 -13.587 9.697 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.483 -15.282 12.081 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -14.012 -16.367 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.013 -15.020 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.547 -17.869 12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.269 -17.773 11.647 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.969 -13.671 13.222 1.00 0.00 N ATOM 1003 CA PRO A 61 -12.110 -12.725 13.953 1.00 0.00 C ATOM 1004 C PRO A 61 -10.625 -12.874 13.619 1.00 0.00 C ATOM 1005 O PRO A 61 -9.892 -11.884 13.582 1.00 0.00 O ATOM 1006 CB PRO A 61 -12.360 -13.063 15.430 1.00 0.00 C ATOM 1007 CG PRO A 61 -13.616 -13.865 15.441 1.00 0.00 C ATOM 1008 CD PRO A 61 -13.653 -14.596 14.132 1.00 0.00 C ATOM 0 HA PRO A 61 -12.351 -11.695 13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.528 -13.628 15.851 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.465 -12.158 16.028 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.625 -14.563 16.278 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.489 -13.221 15.553 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.142 -15.557 14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.675 -14.798 13.810 1.00 0.00 H new ATOM 1016 N GLU A 62 -10.187 -14.106 13.369 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.784 -14.377 13.055 1.00 0.00 C ATOM 1018 C GLU A 62 -8.377 -13.628 11.788 1.00 0.00 C ATOM 1019 O GLU A 62 -7.321 -12.998 11.733 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.577 -15.895 12.894 1.00 0.00 C ATOM 1021 CG GLU A 62 -7.130 -16.338 12.690 1.00 0.00 C ATOM 1022 CD GLU A 62 -6.664 -16.256 11.245 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -7.239 -16.957 10.382 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -5.704 -15.513 10.963 1.00 0.00 O ATOM 0 H GLU A 62 -10.783 -14.934 13.378 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.152 -14.026 13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.971 -16.395 13.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.168 -16.238 12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.479 -15.719 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.021 -17.364 13.040 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.245 -13.664 10.789 1.00 0.00 N ATOM 1032 CA LYS A 63 -8.989 -12.980 9.531 1.00 0.00 C ATOM 1033 C LYS A 63 -9.091 -11.471 9.714 1.00 0.00 C ATOM 1034 O LYS A 63 -8.379 -10.708 9.061 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.975 -13.454 8.461 1.00 0.00 C ATOM 1036 CG LYS A 63 -9.328 -13.825 7.129 1.00 0.00 C ATOM 1037 CD LYS A 63 -8.391 -15.023 7.263 1.00 0.00 C ATOM 1038 CE LYS A 63 -7.003 -14.617 7.744 1.00 0.00 C ATOM 1039 NZ LYS A 63 -6.172 -15.794 8.107 1.00 0.00 N ATOM 0 H LYS A 63 -10.135 -14.161 10.825 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.977 -13.220 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.517 -14.320 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.710 -12.668 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.105 -14.052 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.771 -12.970 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.820 -15.741 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.307 -15.526 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.501 -14.046 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.097 -13.959 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.283 -15.471 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.690 -16.389 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.961 -16.347 7.252 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.970 -11.050 10.618 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.140 -9.636 10.922 1.00 0.00 C ATOM 1055 C ARG A 64 -8.863 -9.059 11.526 1.00 0.00 C ATOM 1056 O ARG A 64 -8.468 -7.942 11.207 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.312 -9.432 11.886 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.589 -7.971 12.197 1.00 0.00 C ATOM 1059 CD ARG A 64 -12.651 -7.818 13.274 1.00 0.00 C ATOM 1060 NE ARG A 64 -13.908 -8.470 12.907 1.00 0.00 N ATOM 1061 CZ ARG A 64 -14.751 -8.999 13.793 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -14.488 -8.913 15.092 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -15.861 -9.606 13.388 1.00 0.00 N ATOM 0 H ARG A 64 -10.577 -11.671 11.153 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.355 -9.112 9.991 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.208 -9.881 11.457 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.104 -9.961 12.816 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.668 -7.487 12.522 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.914 -7.461 11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.283 -8.242 14.208 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.832 -6.759 13.455 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.153 -8.523 11.918 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.641 -8.442 15.411 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.133 -9.318 15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.073 -9.670 12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.501 -10.008 14.073 1.00 0.00 H new ATOM 1077 N GLN A 65 -8.223 -9.832 12.397 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.975 -9.425 13.026 1.00 0.00 C ATOM 1079 C GLN A 65 -5.902 -9.172 11.971 1.00 0.00 C ATOM 1080 O GLN A 65 -5.129 -8.218 12.072 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.531 -10.515 14.004 1.00 0.00 C ATOM 1082 CG GLN A 65 -5.472 -10.072 14.993 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.078 -10.556 14.637 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.336 -9.892 13.911 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.707 -11.710 15.168 1.00 0.00 N ATOM 0 H GLN A 65 -8.554 -10.753 12.685 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.128 -8.494 13.572 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.402 -10.868 14.556 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.149 -11.363 13.436 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.468 -8.983 15.047 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.735 -10.440 15.985 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.353 -12.228 15.764 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.775 -12.081 14.981 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.882 -10.019 10.948 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.958 -9.858 9.834 1.00 0.00 C ATOM 1096 C VAL A 66 -5.233 -8.550 9.096 1.00 0.00 C ATOM 1097 O VAL A 66 -4.313 -7.795 8.780 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.059 -11.042 8.848 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.135 -10.844 7.655 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.745 -12.350 9.561 1.00 0.00 C ATOM 0 H VAL A 66 -6.499 -10.828 10.868 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.948 -9.834 10.244 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.081 -11.086 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.228 -11.693 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.410 -9.929 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.104 -10.767 8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.820 -13.177 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.734 -12.310 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.456 -12.501 10.373 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.511 -8.280 8.842 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.916 -7.047 8.177 1.00 0.00 C ATOM 1112 C ILE A 67 -6.598 -5.837 9.054 1.00 0.00 C ATOM 1113 O ILE A 67 -6.178 -4.794 8.561 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.424 -7.057 7.830 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.760 -8.271 6.960 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.818 -5.774 7.114 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.232 -8.405 6.636 1.00 0.00 C ATOM 0 H ILE A 67 -7.283 -8.900 9.087 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.352 -6.978 7.247 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.990 -7.122 8.759 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.198 -8.205 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.427 -9.175 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.882 -5.801 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.610 -4.919 7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.245 -5.681 6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.389 -9.288 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.801 -8.504 7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.568 -7.519 6.097 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.792 -5.993 10.358 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.490 -4.940 11.323 1.00 0.00 C ATOM 1131 C ASP A 68 -5.005 -4.592 11.295 1.00 0.00 C ATOM 1132 O ASP A 68 -4.624 -3.421 11.365 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.898 -5.386 12.730 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.628 -4.334 13.785 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.466 -3.424 13.950 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.591 -4.431 14.479 1.00 0.00 O ATOM 0 H ASP A 68 -7.161 -6.847 10.776 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.058 -4.050 11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.960 -5.632 12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.358 -6.298 12.987 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.173 -5.621 11.175 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.729 -5.440 11.068 1.00 0.00 C ATOM 1143 C LYS A 69 -2.378 -4.590 9.848 1.00 0.00 C ATOM 1144 O LYS A 69 -1.568 -3.663 9.933 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.039 -6.805 10.961 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.554 -6.724 10.641 1.00 0.00 C ATOM 1147 CD LYS A 69 0.028 -8.103 10.389 1.00 0.00 C ATOM 1148 CE LYS A 69 1.489 -8.025 9.987 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.086 -9.374 9.819 1.00 0.00 N ATOM 0 H LYS A 69 -4.476 -6.595 11.149 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.380 -4.925 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.169 -7.341 11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.535 -7.392 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.402 -6.096 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.026 -6.249 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.071 -8.711 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.540 -8.601 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.580 -7.468 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.046 -7.473 10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.104 -9.282 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.946 -9.926 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.627 -9.860 9.022 1.00 0.00 H new ATOM 1163 N ILE A 70 -3.010 -4.900 8.722 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.773 -4.175 7.483 1.00 0.00 C ATOM 1165 C ILE A 70 -3.354 -2.766 7.568 1.00 0.00 C ATOM 1166 O ILE A 70 -2.722 -1.802 7.150 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.380 -4.926 6.277 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.778 -6.333 6.186 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.146 -4.148 4.986 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -3.370 -7.180 5.082 1.00 0.00 C ATOM 0 H ILE A 70 -3.694 -5.653 8.643 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.695 -4.104 7.337 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.457 -5.016 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.703 -6.248 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.922 -6.842 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.581 -4.694 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.615 -3.167 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.075 -4.027 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.894 -8.161 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.441 -7.297 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.202 -6.694 4.121 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.549 -2.663 8.141 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.238 -1.386 8.310 1.00 0.00 C ATOM 1184 C LEU A 71 -4.355 -0.397 9.075 1.00 0.00 C ATOM 1185 O LEU A 71 -4.171 0.746 8.657 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.560 -1.621 9.064 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.652 -0.551 8.887 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.287 0.750 9.592 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.910 -0.304 7.409 1.00 0.00 C ATOM 0 H LEU A 71 -5.069 -3.463 8.502 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.451 -0.959 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.968 -2.580 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.336 -1.707 10.127 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.565 -0.927 9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.083 1.480 9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.160 0.563 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.356 1.139 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.684 0.455 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.992 0.041 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.238 -1.230 6.937 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.803 -0.863 10.188 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.965 -0.039 11.051 1.00 0.00 C ATOM 1203 C GLU A 72 -1.697 0.396 10.312 1.00 0.00 C ATOM 1204 O GLU A 72 -1.269 1.545 10.404 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.618 -0.846 12.310 1.00 0.00 C ATOM 1206 CG GLU A 72 -2.582 -0.033 13.596 1.00 0.00 C ATOM 1207 CD GLU A 72 -1.249 0.634 13.847 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -0.359 -0.012 14.444 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -1.085 1.806 13.475 1.00 0.00 O ATOM 0 H GLU A 72 -3.923 -1.821 10.518 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.503 0.865 11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.347 -1.648 12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.646 -1.317 12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.360 0.730 13.557 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.817 -0.686 14.437 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.124 -0.529 9.556 1.00 0.00 N ATOM 1217 CA ASP A 73 0.119 -0.280 8.830 1.00 0.00 C ATOM 1218 C ASP A 73 -0.114 0.654 7.644 1.00 0.00 C ATOM 1219 O ASP A 73 0.670 1.569 7.388 1.00 0.00 O ATOM 1220 CB ASP A 73 0.680 -1.599 8.299 1.00 0.00 C ATOM 1221 CG ASP A 73 2.151 -1.535 7.942 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.711 -0.464 7.754 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.790 -2.570 7.753 1.00 0.00 O ATOM 0 H ASP A 73 -1.502 -1.468 9.427 1.00 0.00 H new ATOM 0 HA ASP A 73 0.821 0.186 9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.531 -2.375 9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.113 -1.896 7.416 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.201 0.408 6.928 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.455 1.050 5.647 1.00 0.00 C ATOM 1230 C GLU A 74 -1.615 2.567 5.797 1.00 0.00 C ATOM 1231 O GLU A 74 -1.081 3.322 4.986 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.688 0.415 4.997 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.555 0.196 3.496 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.222 -0.419 3.099 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.032 -1.661 3.234 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.342 0.334 2.641 1.00 0.00 O ATOM 0 H GLU A 74 -1.931 -0.242 7.218 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.594 0.893 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.886 -0.543 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.553 1.051 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.363 -0.452 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.675 1.150 2.983 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.319 3.015 6.842 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.447 4.448 7.107 1.00 0.00 C ATOM 1245 C GLU A 75 -1.089 5.060 7.432 1.00 0.00 C ATOM 1246 O GLU A 75 -0.802 6.196 7.056 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.427 4.721 8.256 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.888 4.805 7.830 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.113 5.761 6.670 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.324 6.712 6.504 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.035 5.513 5.874 1.00 0.00 O ATOM 0 H GLU A 75 -2.802 2.413 7.509 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.841 4.912 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.323 3.932 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.148 5.657 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.236 3.811 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.491 5.125 8.680 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.250 4.292 8.119 1.00 0.00 N ATOM 1259 CA LYS A 76 1.081 4.752 8.489 1.00 0.00 C ATOM 1260 C LYS A 76 1.944 4.999 7.260 1.00 0.00 C ATOM 1261 O LYS A 76 2.792 5.889 7.263 1.00 0.00 O ATOM 1262 CB LYS A 76 1.756 3.756 9.428 1.00 0.00 C ATOM 1263 CG LYS A 76 1.324 3.921 10.874 1.00 0.00 C ATOM 1264 CD LYS A 76 1.862 2.812 11.756 1.00 0.00 C ATOM 1265 CE LYS A 76 1.601 3.111 13.220 1.00 0.00 C ATOM 1266 NZ LYS A 76 1.794 1.916 14.078 1.00 0.00 N ATOM 0 H LYS A 76 -0.470 3.346 8.431 1.00 0.00 H new ATOM 0 HA LYS A 76 0.969 5.701 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.527 2.742 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.837 3.877 9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.672 4.884 11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.235 3.932 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.393 1.866 11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.933 2.696 11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.269 3.906 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.582 3.480 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.889 1.655 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.139 1.124 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.490 2.130 14.820 1.00 0.00 H new ATOM 1280 N HIS A 77 1.729 4.205 6.218 1.00 0.00 N ATOM 1281 CA HIS A 77 2.436 4.389 4.951 1.00 0.00 C ATOM 1282 C HIS A 77 2.097 5.745 4.355 1.00 0.00 C ATOM 1283 O HIS A 77 2.976 6.501 3.945 1.00 0.00 O ATOM 1284 CB HIS A 77 2.043 3.314 3.943 1.00 0.00 C ATOM 1285 CG HIS A 77 2.427 1.927 4.327 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.966 0.809 3.671 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.239 1.480 5.312 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.495 -0.262 4.268 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.278 0.089 5.271 1.00 0.00 N ATOM 0 H HIS A 77 1.071 3.426 6.223 1.00 0.00 H new ATOM 0 HA HIS A 77 3.504 4.321 5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.963 3.350 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.502 3.551 2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.771 2.102 6.017 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.307 -1.283 3.969 1.00 0.00 H new ATOM 1296 N ILE A 78 0.805 6.031 4.325 1.00 0.00 N ATOM 1297 CA ILE A 78 0.288 7.273 3.777 1.00 0.00 C ATOM 1298 C ILE A 78 0.854 8.469 4.528 1.00 0.00 C ATOM 1299 O ILE A 78 1.352 9.422 3.925 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.248 7.282 3.863 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.807 6.038 3.169 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.816 8.552 3.241 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.255 5.756 3.494 1.00 0.00 C ATOM 0 H ILE A 78 0.083 5.405 4.682 1.00 0.00 H new ATOM 0 HA ILE A 78 0.593 7.344 2.733 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.546 7.265 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.703 6.158 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.206 5.174 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.904 8.537 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.429 9.422 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.522 8.607 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.579 4.860 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.364 5.603 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.869 6.602 3.184 1.00 0.00 H new ATOM 1315 N GLU A 79 0.788 8.405 5.850 1.00 0.00 N ATOM 1316 CA GLU A 79 1.335 9.463 6.685 1.00 0.00 C ATOM 1317 C GLU A 79 2.848 9.567 6.499 1.00 0.00 C ATOM 1318 O GLU A 79 3.416 10.657 6.566 1.00 0.00 O ATOM 1319 CB GLU A 79 1.003 9.212 8.157 1.00 0.00 C ATOM 1320 CG GLU A 79 -0.488 9.133 8.445 1.00 0.00 C ATOM 1321 CD GLU A 79 -1.246 10.362 7.981 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.763 11.492 8.213 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -2.330 10.207 7.380 1.00 0.00 O ATOM 0 H GLU A 79 0.363 7.634 6.365 1.00 0.00 H new ATOM 0 HA GLU A 79 0.880 10.406 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.474 8.281 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.438 10.010 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.901 8.251 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.639 9.002 9.517 1.00 0.00 H new ATOM 1330 N TRP A 80 3.486 8.428 6.250 1.00 0.00 N ATOM 1331 CA TRP A 80 4.932 8.366 6.070 1.00 0.00 C ATOM 1332 C TRP A 80 5.341 9.073 4.781 1.00 0.00 C ATOM 1333 O TRP A 80 6.247 9.906 4.782 1.00 0.00 O ATOM 1334 CB TRP A 80 5.381 6.899 6.053 1.00 0.00 C ATOM 1335 CG TRP A 80 6.864 6.690 6.133 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.590 5.763 5.442 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.802 7.404 6.952 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.917 5.850 5.784 1.00 0.00 N ATOM 1339 CE2 TRP A 80 9.073 6.852 6.704 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.692 8.456 7.866 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.223 7.314 7.340 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.834 8.912 8.495 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.084 8.343 8.227 1.00 0.00 C ATOM 0 H TRP A 80 3.018 7.526 6.168 1.00 0.00 H new ATOM 0 HA TRP A 80 5.420 8.876 6.900 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.910 6.381 6.889 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.012 6.432 5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.180 5.063 4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.665 5.264 5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.732 8.904 8.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.189 6.875 7.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.761 9.722 9.206 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.958 8.726 8.733 1.00 0.00 H new ATOM 1354 N HIS A 81 4.661 8.744 3.685 1.00 0.00 N ATOM 1355 CA HIS A 81 4.910 9.391 2.400 1.00 0.00 C ATOM 1356 C HIS A 81 4.690 10.899 2.476 1.00 0.00 C ATOM 1357 O HIS A 81 5.412 11.673 1.848 1.00 0.00 O ATOM 1358 CB HIS A 81 4.014 8.797 1.315 1.00 0.00 C ATOM 1359 CG HIS A 81 4.638 7.652 0.587 1.00 0.00 C ATOM 1360 ND1 HIS A 81 5.339 7.791 -0.590 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.680 6.333 0.895 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.775 6.583 -0.956 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.405 5.660 -0.089 1.00 0.00 N ATOM 0 H HIS A 81 3.932 8.031 3.662 1.00 0.00 H new ATOM 0 HA HIS A 81 5.954 9.210 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.081 8.463 1.768 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.759 9.577 0.598 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.497 8.664 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.226 5.877 1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.355 6.387 -1.846 1.00 0.00 H new ATOM 1371 N LYS A 82 3.695 11.311 3.247 1.00 0.00 N ATOM 1372 CA LYS A 82 3.382 12.725 3.402 1.00 0.00 C ATOM 1373 C LYS A 82 4.486 13.435 4.190 1.00 0.00 C ATOM 1374 O LYS A 82 4.916 14.536 3.834 1.00 0.00 O ATOM 1375 CB LYS A 82 2.031 12.882 4.107 1.00 0.00 C ATOM 1376 CG LYS A 82 1.497 14.305 4.121 1.00 0.00 C ATOM 1377 CD LYS A 82 0.122 14.370 4.764 1.00 0.00 C ATOM 1378 CE LYS A 82 -0.446 15.780 4.739 1.00 0.00 C ATOM 1379 NZ LYS A 82 -0.675 16.269 3.354 1.00 0.00 N ATOM 0 H LYS A 82 3.089 10.685 3.777 1.00 0.00 H new ATOM 0 HA LYS A 82 3.321 13.185 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.301 12.237 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.127 12.532 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.187 14.950 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.443 14.686 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.556 13.695 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.186 14.022 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.386 15.801 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.239 16.455 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.244 17.139 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.239 16.468 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.181 15.542 2.808 1.00 0.00 H new ATOM 1393 N ALA A 83 4.949 12.791 5.257 1.00 0.00 N ATOM 1394 CA ALA A 83 6.000 13.347 6.108 1.00 0.00 C ATOM 1395 C ALA A 83 7.362 13.331 5.414 1.00 0.00 C ATOM 1396 O ALA A 83 8.227 14.161 5.700 1.00 0.00 O ATOM 1397 CB ALA A 83 6.076 12.575 7.414 1.00 0.00 C ATOM 0 H ALA A 83 4.611 11.876 5.556 1.00 0.00 H new ATOM 0 HA ALA A 83 5.743 14.387 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.862 12.997 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.121 12.645 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.300 11.529 7.206 1.00 0.00 H new ATOM 1403 N ALA A 84 7.535 12.388 4.492 1.00 0.00 N ATOM 1404 CA ALA A 84 8.809 12.181 3.803 1.00 0.00 C ATOM 1405 C ALA A 84 9.291 13.441 3.086 1.00 0.00 C ATOM 1406 O ALA A 84 10.487 13.598 2.839 1.00 0.00 O ATOM 1407 CB ALA A 84 8.688 11.033 2.811 1.00 0.00 C ATOM 0 H ALA A 84 6.798 11.746 4.200 1.00 0.00 H new ATOM 0 HA ALA A 84 9.551 11.933 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.642 10.888 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.417 10.120 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.918 11.267 2.076 1.00 0.00 H new ATOM 1413 N SER A 85 8.359 14.339 2.776 1.00 0.00 N ATOM 1414 CA SER A 85 8.674 15.568 2.051 1.00 0.00 C ATOM 1415 C SER A 85 9.677 16.442 2.813 1.00 0.00 C ATOM 1416 O SER A 85 10.411 17.228 2.211 1.00 0.00 O ATOM 1417 CB SER A 85 7.385 16.349 1.782 1.00 0.00 C ATOM 1418 OG SER A 85 6.639 16.528 2.975 1.00 0.00 O ATOM 0 H SER A 85 7.373 14.238 3.017 1.00 0.00 H new ATOM 0 HA SER A 85 9.140 15.291 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.628 17.321 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.780 15.817 1.047 1.00 0.00 H new ATOM 0 HG SER A 85 6.082 15.738 3.134 1.00 0.00 H new ATOM 1424 N LYS A 86 9.712 16.300 4.135 1.00 0.00 N ATOM 1425 CA LYS A 86 10.638 17.072 4.957 1.00 0.00 C ATOM 1426 C LYS A 86 11.806 16.216 5.428 1.00 0.00 C ATOM 1427 O LYS A 86 12.732 16.717 6.066 1.00 0.00 O ATOM 1428 CB LYS A 86 9.931 17.644 6.186 1.00 0.00 C ATOM 1429 CG LYS A 86 8.863 18.676 5.873 1.00 0.00 C ATOM 1430 CD LYS A 86 8.330 19.303 7.150 1.00 0.00 C ATOM 1431 CE LYS A 86 7.274 20.358 6.869 1.00 0.00 C ATOM 1432 NZ LYS A 86 6.821 21.020 8.118 1.00 0.00 N ATOM 0 H LYS A 86 9.113 15.661 4.658 1.00 0.00 H new ATOM 0 HA LYS A 86 11.012 17.885 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.475 16.825 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.676 18.097 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.277 19.450 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.046 18.206 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.906 18.526 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.154 19.753 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.677 21.105 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.421 19.897 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.100 21.735 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.414 20.310 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.631 21.480 8.580 1.00 0.00 H new ATOM 1446 N GLN A 87 11.769 14.933 5.108 1.00 0.00 N ATOM 1447 CA GLN A 87 12.725 13.994 5.672 1.00 0.00 C ATOM 1448 C GLN A 87 13.764 13.543 4.650 1.00 0.00 C ATOM 1449 O GLN A 87 14.960 13.529 4.944 1.00 0.00 O ATOM 1450 CB GLN A 87 11.995 12.777 6.245 1.00 0.00 C ATOM 1451 CG GLN A 87 11.006 13.124 7.350 1.00 0.00 C ATOM 1452 CD GLN A 87 11.672 13.781 8.546 1.00 0.00 C ATOM 1453 OE1 GLN A 87 12.831 13.508 8.855 1.00 0.00 O ATOM 1454 NE2 GLN A 87 10.945 14.652 9.227 1.00 0.00 N ATOM 0 H GLN A 87 11.093 14.520 4.466 1.00 0.00 H new ATOM 0 HA GLN A 87 13.255 14.514 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.464 12.270 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.730 12.073 6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.242 13.792 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.498 12.216 7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.987 14.852 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.343 15.123 10.039 1.00 0.00 H new ATOM 1463 N GLY A 88 13.317 13.181 3.454 1.00 0.00 N ATOM 1464 CA GLY A 88 14.221 12.562 2.507 1.00 0.00 C ATOM 1465 C GLY A 88 14.357 13.308 1.197 1.00 0.00 C ATOM 1466 O GLY A 88 13.375 13.802 0.642 1.00 0.00 O ATOM 0 H GLY A 88 12.359 13.303 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.206 12.475 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.875 11.549 2.301 1.00 0.00 H new ATOM 1470 N ASN A 89 15.591 13.386 0.712 1.00 0.00 N ATOM 1471 CA ASN A 89 15.884 13.906 -0.625 1.00 0.00 C ATOM 1472 C ASN A 89 15.544 12.820 -1.656 1.00 0.00 C ATOM 1473 O ASN A 89 15.064 11.762 -1.275 1.00 0.00 O ATOM 1474 CB ASN A 89 17.367 14.311 -0.700 1.00 0.00 C ATOM 1475 CG ASN A 89 17.767 14.967 -2.012 1.00 0.00 C ATOM 1476 OD1 ASN A 89 16.963 15.627 -2.672 1.00 0.00 O ATOM 1477 ND2 ASN A 89 19.016 14.779 -2.402 1.00 0.00 N ATOM 0 H ASN A 89 16.418 13.092 1.231 1.00 0.00 H new ATOM 0 HA ASN A 89 15.284 14.791 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.587 14.997 0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.983 13.425 -0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.344 15.187 -3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.652 14.226 -1.827 1.00 0.00 H new ATOM 1484 N ALA A 90 15.802 13.075 -2.937 1.00 0.00 N ATOM 1485 CA ALA A 90 15.434 12.155 -4.024 1.00 0.00 C ATOM 1486 C ALA A 90 15.788 10.693 -3.716 1.00 0.00 C ATOM 1487 O ALA A 90 14.901 9.841 -3.632 1.00 0.00 O ATOM 1488 CB ALA A 90 16.098 12.596 -5.321 1.00 0.00 C ATOM 0 H ALA A 90 16.271 13.923 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 90 14.350 12.199 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.822 11.911 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.768 13.603 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.181 12.590 -5.196 1.00 0.00 H new ATOM 1494 N GLU A 91 17.073 10.406 -3.537 1.00 0.00 N ATOM 1495 CA GLU A 91 17.523 9.037 -3.295 1.00 0.00 C ATOM 1496 C GLU A 91 16.998 8.509 -1.960 1.00 0.00 C ATOM 1497 O GLU A 91 16.648 7.334 -1.836 1.00 0.00 O ATOM 1498 CB GLU A 91 19.051 8.952 -3.308 1.00 0.00 C ATOM 1499 CG GLU A 91 19.696 9.542 -4.555 1.00 0.00 C ATOM 1500 CD GLU A 91 20.142 10.978 -4.366 1.00 0.00 C ATOM 1501 OE1 GLU A 91 19.297 11.835 -4.034 1.00 0.00 O ATOM 1502 OE2 GLU A 91 21.352 11.254 -4.530 1.00 0.00 O ATOM 0 H GLU A 91 17.821 11.100 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 91 17.124 8.420 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.440 9.469 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.347 7.907 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.556 8.934 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.988 9.493 -5.382 1.00 0.00 H new ATOM 1509 N GLN A 92 16.944 9.385 -0.970 1.00 0.00 N ATOM 1510 CA GLN A 92 16.495 9.009 0.364 1.00 0.00 C ATOM 1511 C GLN A 92 15.007 8.672 0.352 1.00 0.00 C ATOM 1512 O GLN A 92 14.574 7.698 0.965 1.00 0.00 O ATOM 1513 CB GLN A 92 16.786 10.143 1.344 1.00 0.00 C ATOM 1514 CG GLN A 92 18.230 10.616 1.294 1.00 0.00 C ATOM 1515 CD GLN A 92 18.499 11.801 2.201 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.612 12.608 2.469 1.00 0.00 O ATOM 1517 NE2 GLN A 92 19.733 11.925 2.655 1.00 0.00 N ATOM 0 H GLN A 92 17.206 10.366 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 92 17.038 8.120 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.127 10.983 1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.553 9.810 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.886 9.793 1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.482 10.886 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.439 11.232 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.980 12.714 3.253 1.00 0.00 H new ATOM 1526 N PHE A 93 14.240 9.481 -0.360 1.00 0.00 N ATOM 1527 CA PHE A 93 12.814 9.249 -0.546 1.00 0.00 C ATOM 1528 C PHE A 93 12.585 7.928 -1.274 1.00 0.00 C ATOM 1529 O PHE A 93 11.706 7.150 -0.904 1.00 0.00 O ATOM 1530 CB PHE A 93 12.198 10.421 -1.322 1.00 0.00 C ATOM 1531 CG PHE A 93 10.782 10.198 -1.771 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.734 10.206 -0.863 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.503 9.996 -3.111 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.433 10.007 -1.289 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.208 9.797 -3.540 1.00 0.00 C ATOM 1536 CZ PHE A 93 8.172 9.805 -2.631 1.00 0.00 C ATOM 0 H PHE A 93 14.587 10.319 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 93 12.328 9.184 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.230 11.312 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.815 10.625 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.935 10.369 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.309 9.994 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.623 10.009 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.005 9.635 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.157 9.654 -2.967 1.00 0.00 H new ATOM 1546 N ALA A 94 13.398 7.674 -2.295 1.00 0.00 N ATOM 1547 CA ALA A 94 13.355 6.407 -3.014 1.00 0.00 C ATOM 1548 C ALA A 94 13.603 5.243 -2.062 1.00 0.00 C ATOM 1549 O ALA A 94 12.986 4.185 -2.184 1.00 0.00 O ATOM 1550 CB ALA A 94 14.378 6.402 -4.138 1.00 0.00 C ATOM 0 H ALA A 94 14.096 8.331 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 94 12.362 6.290 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.334 5.449 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.159 7.212 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.376 6.541 -3.722 1.00 0.00 H new ATOM 1556 N SER A 95 14.490 5.458 -1.099 1.00 0.00 N ATOM 1557 CA SER A 95 14.806 4.438 -0.112 1.00 0.00 C ATOM 1558 C SER A 95 13.586 4.135 0.761 1.00 0.00 C ATOM 1559 O SER A 95 13.361 2.988 1.151 1.00 0.00 O ATOM 1560 CB SER A 95 15.980 4.891 0.755 1.00 0.00 C ATOM 1561 OG SER A 95 17.115 5.197 -0.043 1.00 0.00 O ATOM 0 H SER A 95 15.003 6.332 -0.982 1.00 0.00 H new ATOM 0 HA SER A 95 15.087 3.525 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.691 5.768 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.233 4.107 1.468 1.00 0.00 H new ATOM 0 HG SER A 95 16.922 5.980 -0.600 1.00 0.00 H new ATOM 1567 N LEU A 96 12.801 5.167 1.056 1.00 0.00 N ATOM 1568 CA LEU A 96 11.569 4.999 1.826 1.00 0.00 C ATOM 1569 C LEU A 96 10.542 4.214 1.021 1.00 0.00 C ATOM 1570 O LEU A 96 9.761 3.442 1.575 1.00 0.00 O ATOM 1571 CB LEU A 96 10.992 6.358 2.242 1.00 0.00 C ATOM 1572 CG LEU A 96 11.512 6.923 3.571 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.027 7.027 3.582 1.00 0.00 C ATOM 1574 CD2 LEU A 96 10.891 8.284 3.835 1.00 0.00 C ATOM 0 H LEU A 96 12.994 6.128 0.775 1.00 0.00 H new ATOM 0 HA LEU A 96 11.809 4.439 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.205 7.079 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.908 6.267 2.306 1.00 0.00 H new ATOM 0 HG LEU A 96 11.223 6.233 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.357 7.431 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.461 6.038 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.352 7.687 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.265 8.678 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.155 8.967 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.807 8.185 3.887 1.00 0.00 H new ATOM 1586 N VAL A 97 10.554 4.411 -0.291 1.00 0.00 N ATOM 1587 CA VAL A 97 9.689 3.652 -1.183 1.00 0.00 C ATOM 1588 C VAL A 97 10.081 2.177 -1.161 1.00 0.00 C ATOM 1589 O VAL A 97 9.225 1.297 -1.149 1.00 0.00 O ATOM 1590 CB VAL A 97 9.750 4.187 -2.633 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.815 3.404 -3.544 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.411 5.669 -2.669 1.00 0.00 C ATOM 0 H VAL A 97 11.153 5.090 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 97 8.665 3.766 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 97 10.768 4.054 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.878 3.801 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.105 2.353 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.791 3.496 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.459 6.028 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.405 5.822 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.126 6.221 -2.058 1.00 0.00 H new ATOM 1602 N GLN A 98 11.383 1.913 -1.122 1.00 0.00 N ATOM 1603 CA GLN A 98 11.883 0.542 -1.043 1.00 0.00 C ATOM 1604 C GLN A 98 11.451 -0.108 0.270 1.00 0.00 C ATOM 1605 O GLN A 98 11.144 -1.302 0.316 1.00 0.00 O ATOM 1606 CB GLN A 98 13.407 0.518 -1.162 1.00 0.00 C ATOM 1607 CG GLN A 98 13.926 1.139 -2.446 1.00 0.00 C ATOM 1608 CD GLN A 98 15.436 1.110 -2.537 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.112 2.021 -2.061 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.975 0.075 -3.161 1.00 0.00 N ATOM 0 H GLN A 98 12.111 2.627 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 98 11.459 -0.024 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.838 1.047 -0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.752 -0.514 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.504 0.607 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.581 2.171 -2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.377 -0.659 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.988 0.011 -3.262 1.00 0.00 H new ATOM 1619 N GLN A 99 11.422 0.691 1.331 1.00 0.00 N ATOM 1620 CA GLN A 99 10.932 0.249 2.624 1.00 0.00 C ATOM 1621 C GLN A 99 9.452 -0.112 2.527 1.00 0.00 C ATOM 1622 O GLN A 99 9.003 -1.119 3.081 1.00 0.00 O ATOM 1623 CB GLN A 99 11.139 1.367 3.646 1.00 0.00 C ATOM 1624 CG GLN A 99 10.651 1.027 5.037 1.00 0.00 C ATOM 1625 CD GLN A 99 10.777 2.195 5.996 1.00 0.00 C ATOM 1626 OE1 GLN A 99 10.685 3.357 5.595 1.00 0.00 O ATOM 1627 NE2 GLN A 99 10.985 1.898 7.268 1.00 0.00 N ATOM 0 H GLN A 99 11.738 1.661 1.315 1.00 0.00 H new ATOM 0 HA GLN A 99 11.482 -0.637 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.201 1.610 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.623 2.262 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.608 0.713 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.221 0.181 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.055 0.923 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.075 2.644 7.958 1.00 0.00 H new ATOM 1636 N HIS A 100 8.709 0.719 1.807 1.00 0.00 N ATOM 1637 CA HIS A 100 7.291 0.497 1.566 1.00 0.00 C ATOM 1638 C HIS A 100 7.080 -0.832 0.836 1.00 0.00 C ATOM 1639 O HIS A 100 6.180 -1.597 1.177 1.00 0.00 O ATOM 1640 CB HIS A 100 6.731 1.654 0.731 1.00 0.00 C ATOM 1641 CG HIS A 100 5.256 1.882 0.875 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.664 3.110 0.713 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.246 1.019 1.154 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.350 2.971 0.892 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.034 1.714 1.161 1.00 0.00 N ATOM 0 H HIS A 100 9.074 1.567 1.373 1.00 0.00 H new ATOM 0 HA HIS A 100 6.766 0.453 2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.254 2.569 1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.954 1.466 -0.319 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.147 3.981 0.493 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.361 -0.038 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.636 3.779 0.826 1.00 0.00 H new ATOM 1653 N LEU A 101 7.936 -1.101 -0.151 1.00 0.00 N ATOM 1654 CA LEU A 101 7.851 -2.331 -0.938 1.00 0.00 C ATOM 1655 C LEU A 101 7.940 -3.570 -0.054 1.00 0.00 C ATOM 1656 O LEU A 101 7.102 -4.464 -0.147 1.00 0.00 O ATOM 1657 CB LEU A 101 8.966 -2.378 -1.993 1.00 0.00 C ATOM 1658 CG LEU A 101 8.566 -1.948 -3.409 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.451 -2.831 -3.939 1.00 0.00 C ATOM 1660 CD2 LEU A 101 8.148 -0.490 -3.439 1.00 0.00 C ATOM 0 H LEU A 101 8.698 -0.481 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 101 6.881 -2.328 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.784 -1.740 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.354 -3.396 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 101 9.437 -2.063 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.180 -2.511 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.789 -3.867 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.582 -2.750 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.870 -0.212 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.296 -0.342 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.978 0.133 -3.107 1.00 0.00 H new ATOM 1672 N GLN A 102 8.941 -3.605 0.820 1.00 0.00 N ATOM 1673 CA GLN A 102 9.154 -4.748 1.697 1.00 0.00 C ATOM 1674 C GLN A 102 7.986 -4.908 2.656 1.00 0.00 C ATOM 1675 O GLN A 102 7.570 -6.021 2.981 1.00 0.00 O ATOM 1676 CB GLN A 102 10.449 -4.558 2.481 1.00 0.00 C ATOM 1677 CG GLN A 102 11.683 -4.485 1.599 1.00 0.00 C ATOM 1678 CD GLN A 102 11.977 -5.798 0.904 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.710 -6.872 1.440 1.00 0.00 O ATOM 1680 NE2 GLN A 102 12.527 -5.724 -0.294 1.00 0.00 N ATOM 0 H GLN A 102 9.619 -2.852 0.939 1.00 0.00 H new ATOM 0 HA GLN A 102 9.228 -5.649 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.378 -3.643 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.563 -5.382 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.545 -3.704 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.542 -4.198 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.733 -4.814 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.745 -6.577 -0.808 1.00 0.00 H new ATOM 1689 N ASP A 103 7.452 -3.778 3.088 1.00 0.00 N ATOM 1690 CA ASP A 103 6.339 -3.752 4.021 1.00 0.00 C ATOM 1691 C ASP A 103 5.080 -4.350 3.383 1.00 0.00 C ATOM 1692 O ASP A 103 4.415 -5.198 3.981 1.00 0.00 O ATOM 1693 CB ASP A 103 6.093 -2.308 4.467 1.00 0.00 C ATOM 1694 CG ASP A 103 5.054 -2.176 5.559 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.902 -2.570 5.383 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.326 -1.598 6.623 1.00 0.00 O ATOM 0 H ASP A 103 7.777 -2.854 2.802 1.00 0.00 H new ATOM 0 HA ASP A 103 6.584 -4.360 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.032 -1.881 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.778 -1.720 3.605 1.00 0.00 H new ATOM 1701 N GLU A 104 4.773 -3.927 2.159 1.00 0.00 N ATOM 1702 CA GLU A 104 3.578 -4.406 1.466 1.00 0.00 C ATOM 1703 C GLU A 104 3.735 -5.862 1.044 1.00 0.00 C ATOM 1704 O GLU A 104 2.754 -6.595 0.983 1.00 0.00 O ATOM 1705 CB GLU A 104 3.268 -3.551 0.240 1.00 0.00 C ATOM 1706 CG GLU A 104 3.125 -2.072 0.544 1.00 0.00 C ATOM 1707 CD GLU A 104 1.834 -1.702 1.258 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.208 -2.565 1.929 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.446 -0.519 1.178 1.00 0.00 O ATOM 0 H GLU A 104 5.331 -3.258 1.629 1.00 0.00 H new ATOM 0 HA GLU A 104 2.748 -4.328 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.061 -3.686 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.346 -3.909 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.969 -1.756 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.183 -1.514 -0.390 1.00 0.00 H new ATOM 1716 N GLN A 105 4.966 -6.281 0.755 1.00 0.00 N ATOM 1717 CA GLN A 105 5.223 -7.677 0.401 1.00 0.00 C ATOM 1718 C GLN A 105 4.835 -8.592 1.555 1.00 0.00 C ATOM 1719 O GLN A 105 4.318 -9.689 1.347 1.00 0.00 O ATOM 1720 CB GLN A 105 6.693 -7.901 0.029 1.00 0.00 C ATOM 1721 CG GLN A 105 7.092 -7.283 -1.301 1.00 0.00 C ATOM 1722 CD GLN A 105 8.542 -7.554 -1.662 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.398 -7.701 -0.789 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.830 -7.622 -2.952 1.00 0.00 N ATOM 0 H GLN A 105 5.792 -5.683 0.758 1.00 0.00 H new ATOM 0 HA GLN A 105 4.614 -7.916 -0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.324 -7.486 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.890 -8.973 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.447 -7.675 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.927 -6.206 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.094 -7.495 -3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.788 -7.802 -3.252 1.00 0.00 H new ATOM 1733 N ARG A 106 5.071 -8.120 2.774 1.00 0.00 N ATOM 1734 CA ARG A 106 4.673 -8.849 3.970 1.00 0.00 C ATOM 1735 C ARG A 106 3.151 -8.899 4.085 1.00 0.00 C ATOM 1736 O ARG A 106 2.585 -9.926 4.464 1.00 0.00 O ATOM 1737 CB ARG A 106 5.287 -8.200 5.213 1.00 0.00 C ATOM 1738 CG ARG A 106 6.784 -8.436 5.335 1.00 0.00 C ATOM 1739 CD ARG A 106 7.094 -9.896 5.644 1.00 0.00 C ATOM 1740 NE ARG A 106 6.616 -10.281 6.972 1.00 0.00 N ATOM 1741 CZ ARG A 106 5.719 -11.240 7.202 1.00 0.00 C ATOM 1742 NH1 ARG A 106 5.246 -11.981 6.204 1.00 0.00 N ATOM 1743 NH2 ARG A 106 5.319 -11.475 8.445 1.00 0.00 N ATOM 0 H ARG A 106 5.538 -7.232 2.959 1.00 0.00 H new ATOM 0 HA ARG A 106 5.042 -9.872 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.096 -7.127 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.791 -8.590 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.276 -8.147 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.191 -7.802 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.630 -10.534 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.170 -10.061 5.583 1.00 0.00 H new ATOM 0 HE ARG A 106 6.995 -9.782 7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.569 -11.818 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.560 -12.712 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.697 -10.924 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.633 -12.207 8.630 1.00 0.00 H new ATOM 1757 N HIS A 107 2.496 -7.790 3.740 1.00 0.00 N ATOM 1758 CA HIS A 107 1.036 -7.750 3.694 1.00 0.00 C ATOM 1759 C HIS A 107 0.516 -8.750 2.672 1.00 0.00 C ATOM 1760 O HIS A 107 -0.407 -9.512 2.944 1.00 0.00 O ATOM 1761 CB HIS A 107 0.532 -6.340 3.344 1.00 0.00 C ATOM 1762 CG HIS A 107 0.650 -5.359 4.468 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.451 -3.991 4.343 1.00 0.00 N ATOM 1764 CD2 HIS A 107 0.933 -5.582 5.774 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.621 -3.454 5.569 1.00 0.00 C ATOM 1766 NE2 HIS A 107 0.912 -4.377 6.459 1.00 0.00 N ATOM 0 H HIS A 107 2.951 -6.912 3.490 1.00 0.00 H new ATOM 0 HA HIS A 107 0.661 -8.015 4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.093 -5.966 2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.512 -6.403 3.038 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.142 -6.547 6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.530 -2.401 5.791 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.087 -4.235 7.454 1.00 0.00 H new ATOM 1773 N VAL A 108 1.144 -8.749 1.502 1.00 0.00 N ATOM 1774 CA VAL A 108 0.778 -9.649 0.413 1.00 0.00 C ATOM 1775 C VAL A 108 0.837 -11.114 0.848 1.00 0.00 C ATOM 1776 O VAL A 108 -0.027 -11.909 0.483 1.00 0.00 O ATOM 1777 CB VAL A 108 1.699 -9.423 -0.813 1.00 0.00 C ATOM 1778 CG1 VAL A 108 1.530 -10.519 -1.855 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.422 -8.066 -1.437 1.00 0.00 C ATOM 0 H VAL A 108 1.920 -8.125 1.281 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.251 -9.421 0.134 1.00 0.00 H new ATOM 0 HB VAL A 108 2.730 -9.455 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.192 -10.324 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.780 -11.483 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.497 -10.535 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.076 -7.921 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.382 -8.020 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.609 -7.283 -0.702 1.00 0.00 H new ATOM 1789 N GLU A 109 1.843 -11.462 1.644 1.00 0.00 N ATOM 1790 CA GLU A 109 2.000 -12.834 2.123 1.00 0.00 C ATOM 1791 C GLU A 109 0.838 -13.235 3.030 1.00 0.00 C ATOM 1792 O GLU A 109 0.407 -14.390 3.034 1.00 0.00 O ATOM 1793 CB GLU A 109 3.322 -12.996 2.865 1.00 0.00 C ATOM 1794 CG GLU A 109 4.536 -12.683 2.008 1.00 0.00 C ATOM 1795 CD GLU A 109 5.837 -12.954 2.723 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.146 -12.244 3.701 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.556 -13.888 2.314 1.00 0.00 O ATOM 0 H GLU A 109 2.561 -10.816 1.971 1.00 0.00 H new ATOM 0 HA GLU A 109 2.001 -13.492 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.323 -12.342 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.400 -14.019 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.496 -13.279 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.503 -11.636 1.706 1.00 0.00 H new ATOM 1804 N GLU A 110 0.342 -12.277 3.804 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.816 -12.508 4.658 1.00 0.00 C ATOM 1806 C GLU A 110 -2.084 -12.671 3.821 1.00 0.00 C ATOM 1807 O GLU A 110 -2.946 -13.497 4.132 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.993 -11.354 5.653 1.00 0.00 C ATOM 1809 CG GLU A 110 -0.730 -11.741 7.103 1.00 0.00 C ATOM 1810 CD GLU A 110 0.733 -12.000 7.399 1.00 0.00 C ATOM 1811 OE1 GLU A 110 1.232 -13.094 7.060 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.387 -11.118 7.996 1.00 0.00 O ATOM 0 H GLU A 110 0.724 -11.333 3.858 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.643 -13.430 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.320 -10.543 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.009 -10.968 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.090 -10.945 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.306 -12.635 7.343 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.185 -11.893 2.748 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.384 -11.887 1.920 1.00 0.00 C ATOM 1821 C ILE A 111 -3.380 -13.039 0.914 1.00 0.00 C ATOM 1822 O ILE A 111 -4.149 -13.991 1.051 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.542 -10.560 1.148 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.259 -9.365 2.058 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.950 -10.458 0.582 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.338 -8.027 1.354 1.00 0.00 C ATOM 0 H ILE A 111 -1.451 -11.259 2.432 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.224 -12.006 2.605 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.821 -10.548 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.970 -9.373 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.266 -9.478 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.056 -9.519 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.131 -11.293 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.673 -10.489 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.125 -7.229 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.607 -7.997 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.339 -7.890 0.944 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.497 -12.962 -0.077 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.489 -13.917 -1.170 1.00 0.00 C ATOM 1840 C GLU A 112 -1.348 -14.920 -1.028 1.00 0.00 C ATOM 1841 O GLU A 112 -0.373 -14.910 -1.783 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.436 -13.200 -2.526 1.00 0.00 C ATOM 1843 CG GLU A 112 -1.361 -12.128 -2.625 1.00 0.00 C ATOM 1844 CD GLU A 112 -1.311 -11.464 -3.990 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -0.674 -12.025 -4.908 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -1.894 -10.374 -4.146 1.00 0.00 O ATOM 0 H GLU A 112 -1.776 -12.243 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.422 -14.479 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.268 -13.940 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.407 -12.744 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -1.541 -11.369 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -0.390 -12.573 -2.408 1.00 0.00 H new ATOM 1853 N LYS A 113 -1.460 -15.756 -0.018 1.00 0.00 N ATOM 1854 CA LYS A 113 -0.587 -16.912 0.117 1.00 0.00 C ATOM 1855 C LYS A 113 -1.011 -17.971 -0.895 1.00 0.00 C ATOM 1856 O LYS A 113 -2.206 -18.237 -1.050 1.00 0.00 O ATOM 1857 CB LYS A 113 -0.608 -17.482 1.549 1.00 0.00 C ATOM 1858 CG LYS A 113 -1.997 -17.787 2.099 1.00 0.00 C ATOM 1859 CD LYS A 113 -2.713 -16.521 2.541 1.00 0.00 C ATOM 1860 CE LYS A 113 -4.149 -16.792 2.946 1.00 0.00 C ATOM 1861 NZ LYS A 113 -4.893 -15.529 3.180 1.00 0.00 N ATOM 0 H LYS A 113 -2.149 -15.659 0.727 1.00 0.00 H new ATOM 0 HA LYS A 113 0.439 -16.602 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.016 -18.397 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -0.118 -16.771 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.588 -18.293 1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -1.913 -18.472 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.178 -16.076 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.696 -15.793 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.646 -17.370 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.165 -17.399 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.845 -15.748 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.385 -14.952 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.971 -15.001 2.287 1.00 0.00 H new ATOM 1875 N LYS A 114 -0.028 -18.557 -1.575 1.00 0.00 N ATOM 1876 CA LYS A 114 -0.272 -19.452 -2.708 1.00 0.00 C ATOM 1877 C LYS A 114 -0.864 -18.670 -3.875 1.00 0.00 C ATOM 1878 O LYS A 114 -2.081 -18.533 -4.006 1.00 0.00 O ATOM 1879 CB LYS A 114 -1.188 -20.619 -2.327 1.00 0.00 C ATOM 1880 CG LYS A 114 -0.534 -21.639 -1.409 1.00 0.00 C ATOM 1881 CD LYS A 114 0.560 -22.411 -2.131 1.00 0.00 C ATOM 1882 CE LYS A 114 0.010 -23.162 -3.336 1.00 0.00 C ATOM 1883 NZ LYS A 114 1.069 -23.912 -4.058 1.00 0.00 N ATOM 0 H LYS A 114 0.960 -18.426 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 114 0.686 -19.876 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.080 -20.225 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.518 -21.121 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.112 -21.132 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.288 -22.333 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.340 -21.722 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.024 -23.117 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.765 -23.855 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.462 -22.455 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.650 -24.408 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.796 -23.249 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.503 -24.605 -3.415 1.00 0.00 H new ATOM 1897 N ASN A 115 0.015 -18.148 -4.713 1.00 0.00 N ATOM 1898 CA ASN A 115 -0.387 -17.297 -5.824 1.00 0.00 C ATOM 1899 C ASN A 115 0.605 -17.433 -6.969 1.00 0.00 C ATOM 1900 O ASN A 115 0.278 -18.115 -7.963 1.00 0.00 O ATOM 1901 CB ASN A 115 -0.477 -15.833 -5.375 1.00 0.00 C ATOM 1902 CG ASN A 115 -1.057 -14.924 -6.442 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -0.336 -14.378 -7.281 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -2.367 -14.747 -6.409 1.00 0.00 N ATOM 1905 OXT ASN A 115 1.727 -16.892 -6.855 1.00 0.00 O ATOM 0 H ASN A 115 1.021 -18.300 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.372 -17.615 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.092 -15.770 -4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 115 0.518 -15.479 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.817 -14.140 -7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.927 -15.217 -5.698 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.672 -1.557 6.771 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.964 0.882 1.789 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.234 -2.905 2.582 1.00 0.00 ZN