USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=16 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 107 HIS HD1 : A 107 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 102 GLN : amide:sc= -0.129 K(o=-2.2,f=-0.7) USER MOD Set 1.2: A 105 GLN : amide:sc= -2.08! K(o=-2.2!,f=-0.68) USER MOD Set 2.1: A 81 HIS : no HD1:sc= 1.26 K(o=-1.5,f=-12!) USER MOD Set 2.2: A 100 HIS : no HD1:sc= -2.72! C(o=-1.5!,f=-16!) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0987) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.0555 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0656) USER MOD Single : A 12 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.76) USER MOD Single : A 13 GLN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.14) USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= 0.265 (180deg=-1.03) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3! K(o=-3!,f=-0.012) USER MOD Single : A 37 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.22) USER MOD Single : A 38 GLN : amide:sc= -7.33! C(o=-7.3!,f=-2.3!) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 1.32 (180deg=1.2) USER MOD Single : A 45 LYS NZ :NH3+ -107:sc= 0.336 (180deg=-0.0318) USER MOD Single : A 46 GLN : amide:sc= -0.235 K(o=-0.24,f=-0.91) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0503 (180deg=-0.231) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.642 (180deg=0.516) USER MOD Single : A 60 ASN : amide:sc= -1.1! C(o=-1.1!,f=-7.6!) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= -0.29! (180deg=-3.85!) USER MOD Single : A 65 GLN : amide:sc= -0.0251 K(o=-0.025,f=-1.5!) USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= 1.71 (180deg=-0.198!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= -0.853! (180deg=-1.69!) USER MOD Single : A 85 SER OG : rot 6:sc= 0.305 USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.11) USER MOD Single : A 87 GLN : amide:sc=-0.00714 K(o=-0.0071,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= 0.842 K(o=0.84,f=-3.4!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0624 X(o=-0.062,f=-0.1) USER MOD Single : A 99 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.086) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 1.07 K(o=1.1,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.623 -18.298 1.396 1.00 0.00 N ATOM 2 CA MET A 1 -13.998 -17.598 0.251 1.00 0.00 C ATOM 3 C MET A 1 -14.593 -16.206 0.131 1.00 0.00 C ATOM 4 O MET A 1 -15.596 -16.001 -0.557 1.00 0.00 O ATOM 5 CB MET A 1 -14.213 -18.386 -1.046 1.00 0.00 C ATOM 6 CG MET A 1 -13.474 -17.811 -2.244 1.00 0.00 C ATOM 7 SD MET A 1 -11.684 -17.808 -2.020 1.00 0.00 S ATOM 8 CE MET A 1 -11.146 -17.157 -3.601 1.00 0.00 C ATOM 0 H1 MET A 1 -13.944 -18.972 1.804 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.898 -17.603 2.119 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.467 -18.811 1.070 1.00 0.00 H new ATOM 0 HA MET A 1 -12.924 -17.519 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.890 -19.416 -0.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.279 -18.416 -1.269 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.724 -18.390 -3.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.816 -16.791 -2.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.062 -17.243 -3.680 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.615 -17.723 -4.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.433 -16.108 -3.679 1.00 0.00 H new ATOM 20 N ASP A 2 -13.995 -15.264 0.837 1.00 0.00 N ATOM 21 CA ASP A 2 -14.543 -13.922 0.944 1.00 0.00 C ATOM 22 C ASP A 2 -13.453 -12.914 1.264 1.00 0.00 C ATOM 23 O ASP A 2 -12.608 -13.155 2.128 1.00 0.00 O ATOM 24 CB ASP A 2 -15.642 -13.879 2.015 1.00 0.00 C ATOM 25 CG ASP A 2 -15.225 -14.536 3.320 1.00 0.00 C ATOM 26 OD1 ASP A 2 -15.320 -15.782 3.412 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.818 -13.815 4.258 1.00 0.00 O ATOM 0 H ASP A 2 -13.124 -15.404 1.349 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.980 -13.655 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.914 -12.841 2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.534 -14.376 1.633 1.00 0.00 H new ATOM 32 N GLU A 3 -13.492 -11.787 0.556 1.00 0.00 N ATOM 33 CA GLU A 3 -12.506 -10.716 0.701 1.00 0.00 C ATOM 34 C GLU A 3 -11.084 -11.266 0.663 1.00 0.00 C ATOM 35 O GLU A 3 -10.400 -11.340 1.687 1.00 0.00 O ATOM 36 CB GLU A 3 -12.725 -9.911 1.986 1.00 0.00 C ATOM 37 CG GLU A 3 -14.084 -9.229 2.080 1.00 0.00 C ATOM 38 CD GLU A 3 -15.200 -10.178 2.467 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.248 -10.592 3.644 1.00 0.00 O ATOM 40 OE2 GLU A 3 -16.042 -10.504 1.602 1.00 0.00 O ATOM 0 H GLU A 3 -14.212 -11.589 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.643 -10.044 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.607 -10.576 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.946 -9.153 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.030 -8.424 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.321 -8.771 1.120 1.00 0.00 H new ATOM 47 N LEU A 4 -10.655 -11.661 -0.520 1.00 0.00 N ATOM 48 CA LEU A 4 -9.332 -12.226 -0.703 1.00 0.00 C ATOM 49 C LEU A 4 -8.670 -11.574 -1.910 1.00 0.00 C ATOM 50 O LEU A 4 -7.739 -10.783 -1.771 1.00 0.00 O ATOM 51 CB LEU A 4 -9.426 -13.746 -0.881 1.00 0.00 C ATOM 52 CG LEU A 4 -8.093 -14.491 -0.842 1.00 0.00 C ATOM 53 CD1 LEU A 4 -7.427 -14.328 0.517 1.00 0.00 C ATOM 54 CD2 LEU A 4 -8.303 -15.962 -1.159 1.00 0.00 C ATOM 0 H LEU A 4 -11.208 -11.600 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.724 -12.030 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.071 -14.148 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.912 -13.954 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.435 -14.062 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.479 -14.866 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.246 -13.270 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.079 -14.731 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.345 -16.481 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.977 -16.400 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.737 -16.061 -2.154 1.00 0.00 H new ATOM 66 N ARG A 5 -9.186 -11.885 -3.092 1.00 0.00 N ATOM 67 CA ARG A 5 -8.729 -11.256 -4.325 1.00 0.00 C ATOM 68 C ARG A 5 -9.081 -9.771 -4.303 1.00 0.00 C ATOM 69 O ARG A 5 -8.343 -8.929 -4.814 1.00 0.00 O ATOM 70 CB ARG A 5 -9.364 -11.936 -5.546 1.00 0.00 C ATOM 71 CG ARG A 5 -8.956 -13.390 -5.726 1.00 0.00 C ATOM 72 CD ARG A 5 -9.581 -13.995 -6.974 1.00 0.00 C ATOM 73 NE ARG A 5 -9.115 -15.361 -7.207 1.00 0.00 N ATOM 74 CZ ARG A 5 -9.366 -16.060 -8.311 1.00 0.00 C ATOM 75 NH1 ARG A 5 -10.104 -15.540 -9.281 1.00 0.00 N ATOM 76 NH2 ARG A 5 -8.877 -17.285 -8.440 1.00 0.00 N ATOM 0 H ARG A 5 -9.927 -12.574 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.647 -11.367 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.449 -11.882 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.091 -11.379 -6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.870 -13.459 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.259 -13.965 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.666 -13.993 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.339 -13.376 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.561 -15.807 -6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.484 -14.598 -9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.292 -16.081 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.310 -17.689 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.067 -17.824 -9.285 1.00 0.00 H new ATOM 90 N GLU A 6 -10.227 -9.475 -3.705 1.00 0.00 N ATOM 91 CA GLU A 6 -10.734 -8.114 -3.595 1.00 0.00 C ATOM 92 C GLU A 6 -9.742 -7.223 -2.849 1.00 0.00 C ATOM 93 O GLU A 6 -9.422 -6.122 -3.292 1.00 0.00 O ATOM 94 CB GLU A 6 -12.075 -8.109 -2.846 1.00 0.00 C ATOM 95 CG GLU A 6 -13.188 -8.920 -3.508 1.00 0.00 C ATOM 96 CD GLU A 6 -12.928 -10.418 -3.527 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.224 -10.921 -2.624 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.424 -11.097 -4.451 1.00 0.00 O ATOM 0 H GLU A 6 -10.834 -10.176 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.873 -7.724 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.913 -8.496 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.411 -7.078 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.124 -8.730 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.320 -8.571 -4.532 1.00 0.00 H new ATOM 105 N LEU A 7 -9.245 -7.720 -1.723 1.00 0.00 N ATOM 106 CA LEU A 7 -8.319 -6.958 -0.892 1.00 0.00 C ATOM 107 C LEU A 7 -6.946 -6.862 -1.545 1.00 0.00 C ATOM 108 O LEU A 7 -6.259 -5.849 -1.420 1.00 0.00 O ATOM 109 CB LEU A 7 -8.215 -7.585 0.497 1.00 0.00 C ATOM 110 CG LEU A 7 -9.488 -7.491 1.339 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.324 -8.255 2.643 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.831 -6.037 1.617 1.00 0.00 C ATOM 0 H LEU A 7 -9.467 -8.648 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.709 -5.945 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.946 -8.635 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.401 -7.102 1.038 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.307 -7.941 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.240 -8.176 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.120 -9.304 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.494 -7.833 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.739 -5.986 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.011 -5.567 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.989 -5.514 0.674 1.00 0.00 H new ATOM 124 N LEU A 8 -6.559 -7.914 -2.261 1.00 0.00 N ATOM 125 CA LEU A 8 -5.291 -7.924 -2.976 1.00 0.00 C ATOM 126 C LEU A 8 -5.244 -6.810 -4.013 1.00 0.00 C ATOM 127 O LEU A 8 -4.178 -6.279 -4.310 1.00 0.00 O ATOM 128 CB LEU A 8 -5.052 -9.275 -3.647 1.00 0.00 C ATOM 129 CG LEU A 8 -4.719 -10.425 -2.696 1.00 0.00 C ATOM 130 CD1 LEU A 8 -4.470 -11.700 -3.481 1.00 0.00 C ATOM 131 CD2 LEU A 8 -3.507 -10.080 -1.843 1.00 0.00 C ATOM 0 H LEU A 8 -7.106 -8.769 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.499 -7.755 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.942 -9.542 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.236 -9.168 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.570 -10.584 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.234 -12.511 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.363 -11.956 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.634 -11.549 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.286 -10.911 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.648 -9.896 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.718 -9.186 -1.256 1.00 0.00 H new ATOM 143 N LYS A 9 -6.410 -6.452 -4.548 1.00 0.00 N ATOM 144 CA LYS A 9 -6.515 -5.396 -5.550 1.00 0.00 C ATOM 145 C LYS A 9 -5.957 -4.079 -5.010 1.00 0.00 C ATOM 146 O LYS A 9 -5.346 -3.303 -5.747 1.00 0.00 O ATOM 147 CB LYS A 9 -7.981 -5.221 -5.964 1.00 0.00 C ATOM 148 CG LYS A 9 -8.224 -4.086 -6.949 1.00 0.00 C ATOM 149 CD LYS A 9 -9.704 -3.938 -7.274 1.00 0.00 C ATOM 150 CE LYS A 9 -10.250 -5.179 -7.963 1.00 0.00 C ATOM 151 NZ LYS A 9 -9.686 -5.354 -9.330 1.00 0.00 N ATOM 0 H LYS A 9 -7.301 -6.882 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.927 -5.682 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.335 -6.152 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.580 -5.045 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.847 -3.153 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.666 -4.273 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.263 -3.755 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.852 -3.069 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.020 -6.058 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.336 -5.110 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.171 -6.141 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.823 -4.480 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.670 -5.564 -9.262 1.00 0.00 H new ATOM 165 N ALA A 10 -6.151 -3.845 -3.718 1.00 0.00 N ATOM 166 CA ALA A 10 -5.645 -2.642 -3.075 1.00 0.00 C ATOM 167 C ALA A 10 -4.121 -2.662 -3.024 1.00 0.00 C ATOM 168 O ALA A 10 -3.461 -1.681 -3.374 1.00 0.00 O ATOM 169 CB ALA A 10 -6.226 -2.513 -1.675 1.00 0.00 C ATOM 0 H ALA A 10 -6.656 -4.475 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.954 -1.777 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.841 -1.609 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.313 -2.455 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.942 -3.382 -1.082 1.00 0.00 H new ATOM 175 N GLU A 11 -3.571 -3.796 -2.612 1.00 0.00 N ATOM 176 CA GLU A 11 -2.128 -3.965 -2.530 1.00 0.00 C ATOM 177 C GLU A 11 -1.499 -3.907 -3.918 1.00 0.00 C ATOM 178 O GLU A 11 -0.488 -3.237 -4.122 1.00 0.00 O ATOM 179 CB GLU A 11 -1.787 -5.295 -1.855 1.00 0.00 C ATOM 180 CG GLU A 11 -2.300 -5.407 -0.428 1.00 0.00 C ATOM 181 CD GLU A 11 -1.731 -4.336 0.477 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.518 -4.312 0.701 1.00 0.00 O ATOM 183 OE2 GLU A 11 -2.472 -3.500 0.984 1.00 0.00 O ATOM 0 H GLU A 11 -4.106 -4.616 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.722 -3.150 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.205 -6.110 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.705 -5.424 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.388 -5.337 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.045 -6.389 -0.029 1.00 0.00 H new ATOM 190 N GLN A 12 -2.119 -4.596 -4.870 1.00 0.00 N ATOM 191 CA GLN A 12 -1.645 -4.625 -6.246 1.00 0.00 C ATOM 192 C GLN A 12 -1.570 -3.218 -6.829 1.00 0.00 C ATOM 193 O GLN A 12 -0.606 -2.868 -7.509 1.00 0.00 O ATOM 194 CB GLN A 12 -2.576 -5.486 -7.098 1.00 0.00 C ATOM 195 CG GLN A 12 -2.495 -6.974 -6.791 1.00 0.00 C ATOM 196 CD GLN A 12 -1.140 -7.571 -7.126 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.452 -7.108 -8.033 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.754 -8.610 -6.403 1.00 0.00 N ATOM 0 H GLN A 12 -2.961 -5.148 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.643 -5.054 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.602 -5.150 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.338 -5.329 -8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.706 -7.134 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.267 -7.499 -7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.354 -8.965 -5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.144 -9.056 -6.590 1.00 0.00 H new ATOM 207 N GLN A 13 -2.589 -2.416 -6.548 1.00 0.00 N ATOM 208 CA GLN A 13 -2.639 -1.041 -7.026 1.00 0.00 C ATOM 209 C GLN A 13 -1.525 -0.214 -6.400 1.00 0.00 C ATOM 210 O GLN A 13 -0.818 0.519 -7.094 1.00 0.00 O ATOM 211 CB GLN A 13 -4.000 -0.425 -6.701 1.00 0.00 C ATOM 212 CG GLN A 13 -4.171 1.000 -7.196 1.00 0.00 C ATOM 213 CD GLN A 13 -5.585 1.507 -7.005 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.431 1.367 -7.888 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.858 2.090 -5.849 1.00 0.00 N ATOM 0 H GLN A 13 -3.395 -2.696 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.498 -1.044 -8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.781 -1.046 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.146 -0.443 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.478 1.653 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.909 1.049 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.129 2.187 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.797 2.442 -5.665 1.00 0.00 H new ATOM 224 N GLY A 14 -1.368 -0.351 -5.090 1.00 0.00 N ATOM 225 CA GLY A 14 -0.321 0.365 -4.387 1.00 0.00 C ATOM 226 C GLY A 14 1.060 0.017 -4.906 1.00 0.00 C ATOM 227 O GLY A 14 1.870 0.904 -5.177 1.00 0.00 O ATOM 0 H GLY A 14 -1.949 -0.947 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.486 1.438 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.376 0.134 -3.323 1.00 0.00 H new ATOM 231 N ILE A 15 1.315 -1.276 -5.076 1.00 0.00 N ATOM 232 CA ILE A 15 2.598 -1.749 -5.585 1.00 0.00 C ATOM 233 C ILE A 15 2.848 -1.241 -7.004 1.00 0.00 C ATOM 234 O ILE A 15 3.965 -0.843 -7.341 1.00 0.00 O ATOM 235 CB ILE A 15 2.677 -3.294 -5.577 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.552 -3.826 -4.147 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.980 -3.771 -6.208 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.559 -5.339 -4.052 1.00 0.00 C ATOM 0 H ILE A 15 0.647 -2.018 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 15 3.366 -1.354 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 15 1.848 -3.682 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.373 -3.430 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.628 -3.448 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.015 -4.860 -6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.034 -3.421 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.824 -3.373 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.467 -5.638 -3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.722 -5.743 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.494 -5.725 -4.459 1.00 0.00 H new ATOM 250 N LYS A 16 1.806 -1.246 -7.830 1.00 0.00 N ATOM 251 CA LYS A 16 1.929 -0.806 -9.217 1.00 0.00 C ATOM 252 C LYS A 16 2.343 0.659 -9.281 1.00 0.00 C ATOM 253 O LYS A 16 3.171 1.044 -10.107 1.00 0.00 O ATOM 254 CB LYS A 16 0.616 -1.009 -9.974 1.00 0.00 C ATOM 255 CG LYS A 16 0.745 -0.787 -11.472 1.00 0.00 C ATOM 256 CD LYS A 16 -0.593 -0.899 -12.177 1.00 0.00 C ATOM 257 CE LYS A 16 -0.431 -0.798 -13.684 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.743 -0.800 -14.382 1.00 0.00 N ATOM 0 H LYS A 16 0.869 -1.549 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 16 2.701 -1.412 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.253 -2.021 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.134 -0.326 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.172 0.199 -11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.438 -1.518 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.063 -1.849 -11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.259 -0.110 -11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.111 0.115 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.172 -1.633 -14.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.590 -0.730 -15.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.249 -1.683 -14.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.309 0.011 -14.060 1.00 0.00 H new ATOM 272 N ILE A 17 1.766 1.471 -8.405 1.00 0.00 N ATOM 273 CA ILE A 17 2.137 2.878 -8.324 1.00 0.00 C ATOM 274 C ILE A 17 3.580 3.020 -7.845 1.00 0.00 C ATOM 275 O ILE A 17 4.334 3.847 -8.357 1.00 0.00 O ATOM 276 CB ILE A 17 1.193 3.665 -7.388 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.242 3.593 -7.915 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.640 5.117 -7.263 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.248 4.333 -7.058 1.00 0.00 C ATOM 0 H ILE A 17 1.044 1.183 -7.745 1.00 0.00 H new ATOM 0 HA ILE A 17 2.045 3.299 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 17 1.231 3.213 -6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.269 4.002 -8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.540 2.547 -7.987 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.960 5.651 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.650 5.153 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.630 5.587 -8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.241 4.236 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.252 3.909 -6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.976 5.387 -7.006 1.00 0.00 H new ATOM 291 N LEU A 18 3.964 2.188 -6.880 1.00 0.00 N ATOM 292 CA LEU A 18 5.326 2.192 -6.349 1.00 0.00 C ATOM 293 C LEU A 18 6.354 1.949 -7.454 1.00 0.00 C ATOM 294 O LEU A 18 7.444 2.521 -7.429 1.00 0.00 O ATOM 295 CB LEU A 18 5.482 1.142 -5.245 1.00 0.00 C ATOM 296 CG LEU A 18 4.671 1.406 -3.974 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.865 0.276 -2.978 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.063 2.738 -3.350 1.00 0.00 C ATOM 0 H LEU A 18 3.348 1.499 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 18 5.509 3.179 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.192 0.171 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.536 1.075 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 18 3.616 1.454 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.282 0.479 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.532 -0.662 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.920 0.199 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.474 2.905 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.122 2.722 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.874 3.542 -4.061 1.00 0.00 H new ATOM 310 N LYS A 19 6.001 1.101 -8.416 1.00 0.00 N ATOM 311 CA LYS A 19 6.871 0.821 -9.559 1.00 0.00 C ATOM 312 C LYS A 19 7.221 2.116 -10.290 1.00 0.00 C ATOM 313 O LYS A 19 8.380 2.364 -10.625 1.00 0.00 O ATOM 314 CB LYS A 19 6.185 -0.141 -10.537 1.00 0.00 C ATOM 315 CG LYS A 19 5.702 -1.438 -9.905 1.00 0.00 C ATOM 316 CD LYS A 19 6.854 -2.320 -9.445 1.00 0.00 C ATOM 317 CE LYS A 19 7.655 -2.857 -10.621 1.00 0.00 C ATOM 318 NZ LYS A 19 8.644 -3.877 -10.188 1.00 0.00 N ATOM 0 H LYS A 19 5.116 0.593 -8.428 1.00 0.00 H new ATOM 0 HA LYS A 19 7.784 0.359 -9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.334 0.367 -10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.881 -0.380 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.061 -1.208 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.093 -1.985 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.510 -1.749 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.464 -3.153 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.977 -3.294 -11.354 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.172 -2.035 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.172 -4.221 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.305 -3.452 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.148 -4.673 -9.738 1.00 0.00 H new ATOM 332 N GLU A 20 6.206 2.945 -10.512 1.00 0.00 N ATOM 333 CA GLU A 20 6.382 4.224 -11.189 1.00 0.00 C ATOM 334 C GLU A 20 7.096 5.215 -10.283 1.00 0.00 C ATOM 335 O GLU A 20 7.865 6.058 -10.749 1.00 0.00 O ATOM 336 CB GLU A 20 5.029 4.783 -11.633 1.00 0.00 C ATOM 337 CG GLU A 20 4.326 3.914 -12.663 1.00 0.00 C ATOM 338 CD GLU A 20 5.032 3.893 -14.009 1.00 0.00 C ATOM 339 OE1 GLU A 20 6.275 4.016 -14.048 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.342 3.744 -15.041 1.00 0.00 O ATOM 0 H GLU A 20 5.245 2.751 -10.230 1.00 0.00 H new ATOM 0 HA GLU A 20 6.998 4.063 -12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.385 4.892 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.175 5.780 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.254 2.895 -12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.307 4.276 -12.800 1.00 0.00 H new ATOM 347 N VAL A 21 6.836 5.114 -8.987 1.00 0.00 N ATOM 348 CA VAL A 21 7.515 5.947 -8.006 1.00 0.00 C ATOM 349 C VAL A 21 9.023 5.720 -8.068 1.00 0.00 C ATOM 350 O VAL A 21 9.803 6.664 -7.975 1.00 0.00 O ATOM 351 CB VAL A 21 7.000 5.668 -6.577 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.811 6.436 -5.546 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.530 6.032 -6.465 1.00 0.00 C ATOM 0 H VAL A 21 6.159 4.462 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 21 7.298 6.987 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 21 7.116 4.603 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.428 6.222 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.856 6.133 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.731 7.505 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.181 5.830 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.399 7.091 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.953 5.437 -7.173 1.00 0.00 H new ATOM 363 N LEU A 22 9.421 4.467 -8.259 1.00 0.00 N ATOM 364 CA LEU A 22 10.830 4.120 -8.425 1.00 0.00 C ATOM 365 C LEU A 22 11.418 4.821 -9.645 1.00 0.00 C ATOM 366 O LEU A 22 12.558 5.291 -9.619 1.00 0.00 O ATOM 367 CB LEU A 22 10.990 2.606 -8.568 1.00 0.00 C ATOM 368 CG LEU A 22 10.682 1.802 -7.306 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.652 0.318 -7.618 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.716 2.094 -6.231 1.00 0.00 C ATOM 0 H LEU A 22 8.785 3.671 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 22 11.369 4.453 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.336 2.261 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.013 2.391 -8.877 1.00 0.00 H new ATOM 0 HG LEU A 22 9.700 2.098 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.431 -0.241 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.881 0.118 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.622 0.008 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.485 1.515 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.706 1.820 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.699 3.157 -5.989 1.00 0.00 H new ATOM 382 N LYS A 23 10.628 4.890 -10.708 1.00 0.00 N ATOM 383 CA LYS A 23 11.041 5.554 -11.936 1.00 0.00 C ATOM 384 C LYS A 23 11.219 7.050 -11.705 1.00 0.00 C ATOM 385 O LYS A 23 12.244 7.630 -12.060 1.00 0.00 O ATOM 386 CB LYS A 23 9.992 5.333 -13.030 1.00 0.00 C ATOM 387 CG LYS A 23 9.801 3.877 -13.425 1.00 0.00 C ATOM 388 CD LYS A 23 10.256 3.631 -14.856 1.00 0.00 C ATOM 389 CE LYS A 23 9.440 4.438 -15.858 1.00 0.00 C ATOM 390 NZ LYS A 23 8.036 3.956 -15.957 1.00 0.00 N ATOM 0 H LYS A 23 9.690 4.491 -10.744 1.00 0.00 H new ATOM 0 HA LYS A 23 11.994 5.128 -12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.037 5.733 -12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.279 5.903 -13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.364 3.236 -12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.751 3.604 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.310 3.892 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.168 2.569 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.442 5.488 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.912 4.380 -16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.537 4.489 -16.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.032 2.944 -16.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.555 4.098 -15.046 1.00 0.00 H new ATOM 404 N LYS A 24 10.228 7.659 -11.070 1.00 0.00 N ATOM 405 CA LYS A 24 10.217 9.102 -10.863 1.00 0.00 C ATOM 406 C LYS A 24 11.200 9.526 -9.779 1.00 0.00 C ATOM 407 O LYS A 24 11.664 10.665 -9.771 1.00 0.00 O ATOM 408 CB LYS A 24 8.808 9.587 -10.521 1.00 0.00 C ATOM 409 CG LYS A 24 7.949 9.903 -11.739 1.00 0.00 C ATOM 410 CD LYS A 24 7.723 8.684 -12.620 1.00 0.00 C ATOM 411 CE LYS A 24 6.945 9.043 -13.875 1.00 0.00 C ATOM 412 NZ LYS A 24 7.635 10.093 -14.671 1.00 0.00 N ATOM 0 H LYS A 24 9.416 7.174 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 24 10.534 9.566 -11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.307 8.825 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.883 10.480 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.986 10.294 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.428 10.688 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.684 8.251 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.180 7.923 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.812 8.151 -14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.950 9.392 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.054 10.955 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.558 10.305 -14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.776 9.754 -15.644 1.00 0.00 H new ATOM 426 N ALA A 25 11.509 8.616 -8.866 1.00 0.00 N ATOM 427 CA ALA A 25 12.513 8.879 -7.844 1.00 0.00 C ATOM 428 C ALA A 25 13.871 9.106 -8.492 1.00 0.00 C ATOM 429 O ALA A 25 14.615 10.006 -8.104 1.00 0.00 O ATOM 430 CB ALA A 25 12.580 7.731 -6.849 1.00 0.00 C ATOM 0 H ALA A 25 11.081 7.692 -8.812 1.00 0.00 H new ATOM 0 HA ALA A 25 12.229 9.781 -7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.336 7.947 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.610 7.610 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.842 6.811 -7.372 1.00 0.00 H new ATOM 436 N LYS A 26 14.183 8.286 -9.488 1.00 0.00 N ATOM 437 CA LYS A 26 15.421 8.437 -10.238 1.00 0.00 C ATOM 438 C LYS A 26 15.355 9.656 -11.157 1.00 0.00 C ATOM 439 O LYS A 26 16.362 10.334 -11.370 1.00 0.00 O ATOM 440 CB LYS A 26 15.730 7.171 -11.042 1.00 0.00 C ATOM 441 CG LYS A 26 16.045 5.965 -10.170 1.00 0.00 C ATOM 442 CD LYS A 26 16.507 4.777 -11.000 1.00 0.00 C ATOM 443 CE LYS A 26 16.912 3.600 -10.125 1.00 0.00 C ATOM 444 NZ LYS A 26 17.429 2.459 -10.931 1.00 0.00 N ATOM 0 H LYS A 26 13.595 7.510 -9.794 1.00 0.00 H new ATOM 0 HA LYS A 26 16.230 8.592 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.877 6.937 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.576 7.365 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.819 6.229 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.159 5.688 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.707 4.471 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.351 5.075 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.677 3.920 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.054 3.271 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.694 1.678 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.691 2.136 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.264 2.765 -11.470 1.00 0.00 H new ATOM 458 N GLU A 27 14.169 9.924 -11.700 1.00 0.00 N ATOM 459 CA GLU A 27 13.947 11.113 -12.523 1.00 0.00 C ATOM 460 C GLU A 27 14.203 12.381 -11.713 1.00 0.00 C ATOM 461 O GLU A 27 14.925 13.279 -12.155 1.00 0.00 O ATOM 462 CB GLU A 27 12.520 11.124 -13.075 1.00 0.00 C ATOM 463 CG GLU A 27 12.270 10.081 -14.151 1.00 0.00 C ATOM 464 CD GLU A 27 10.816 10.023 -14.570 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.218 11.088 -14.812 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.262 8.910 -14.663 1.00 0.00 O ATOM 0 H GLU A 27 13.345 9.333 -11.585 1.00 0.00 H new ATOM 0 HA GLU A 27 14.646 11.084 -13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.822 10.960 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.306 12.112 -13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.888 10.305 -15.021 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.579 9.102 -13.784 1.00 0.00 H new ATOM 473 N GLY A 28 13.621 12.436 -10.523 1.00 0.00 N ATOM 474 CA GLY A 28 13.842 13.553 -9.628 1.00 0.00 C ATOM 475 C GLY A 28 13.125 14.808 -10.072 1.00 0.00 C ATOM 476 O GLY A 28 13.757 15.837 -10.313 1.00 0.00 O ATOM 0 H GLY A 28 12.994 11.719 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.506 13.283 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.911 13.754 -9.562 1.00 0.00 H new ATOM 480 N ASP A 29 11.807 14.725 -10.191 1.00 0.00 N ATOM 481 CA ASP A 29 10.997 15.888 -10.540 1.00 0.00 C ATOM 482 C ASP A 29 9.880 16.076 -9.528 1.00 0.00 C ATOM 483 O ASP A 29 9.189 15.122 -9.178 1.00 0.00 O ATOM 484 CB ASP A 29 10.398 15.763 -11.941 1.00 0.00 C ATOM 485 CG ASP A 29 9.451 16.908 -12.254 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.930 18.021 -12.546 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.220 16.706 -12.187 1.00 0.00 O ATOM 0 H ASP A 29 11.275 13.866 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 29 11.655 16.757 -10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.200 15.743 -12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.864 14.816 -12.025 1.00 0.00 H new ATOM 492 N GLU A 30 9.702 17.312 -9.082 1.00 0.00 N ATOM 493 CA GLU A 30 8.728 17.636 -8.043 1.00 0.00 C ATOM 494 C GLU A 30 7.304 17.332 -8.496 1.00 0.00 C ATOM 495 O GLU A 30 6.524 16.760 -7.744 1.00 0.00 O ATOM 496 CB GLU A 30 8.840 19.115 -7.675 1.00 0.00 C ATOM 497 CG GLU A 30 10.255 19.560 -7.346 1.00 0.00 C ATOM 498 CD GLU A 30 10.359 21.059 -7.179 1.00 0.00 C ATOM 499 OE1 GLU A 30 10.605 21.755 -8.190 1.00 0.00 O ATOM 500 OE2 GLU A 30 10.192 21.546 -6.042 1.00 0.00 O ATOM 0 H GLU A 30 10.225 18.117 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 30 8.947 17.017 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.464 19.715 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.197 19.316 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.584 19.071 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.929 19.237 -8.139 1.00 0.00 H new ATOM 507 N GLN A 31 6.974 17.709 -9.727 1.00 0.00 N ATOM 508 CA GLN A 31 5.629 17.525 -10.247 1.00 0.00 C ATOM 509 C GLN A 31 5.282 16.049 -10.327 1.00 0.00 C ATOM 510 O GLN A 31 4.210 15.631 -9.886 1.00 0.00 O ATOM 511 CB GLN A 31 5.491 18.168 -11.628 1.00 0.00 C ATOM 512 CG GLN A 31 5.362 19.685 -11.599 1.00 0.00 C ATOM 513 CD GLN A 31 6.636 20.395 -11.184 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.590 21.446 -10.547 1.00 0.00 O ATOM 515 NE2 GLN A 31 7.780 19.844 -11.565 1.00 0.00 N ATOM 0 H GLN A 31 7.623 18.145 -10.382 1.00 0.00 H new ATOM 0 HA GLN A 31 4.935 18.012 -9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.359 17.900 -12.230 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.616 17.749 -12.126 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.067 20.035 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.562 19.960 -10.911 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.775 18.971 -12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.665 20.293 -11.331 1.00 0.00 H new ATOM 524 N GLU A 32 6.195 15.268 -10.889 1.00 0.00 N ATOM 525 CA GLU A 32 6.015 13.827 -10.988 1.00 0.00 C ATOM 526 C GLU A 32 5.922 13.211 -9.593 1.00 0.00 C ATOM 527 O GLU A 32 5.049 12.385 -9.322 1.00 0.00 O ATOM 528 CB GLU A 32 7.179 13.190 -11.755 1.00 0.00 C ATOM 529 CG GLU A 32 7.382 13.743 -13.159 1.00 0.00 C ATOM 530 CD GLU A 32 6.179 13.542 -14.058 1.00 0.00 C ATOM 531 OE1 GLU A 32 5.917 12.386 -14.458 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.498 14.540 -14.375 1.00 0.00 O ATOM 0 H GLU A 32 7.071 15.611 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 32 5.089 13.634 -11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.097 13.334 -11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.010 12.115 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.606 14.808 -13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.250 13.262 -13.610 1.00 0.00 H new ATOM 539 N LEU A 33 6.818 13.642 -8.713 1.00 0.00 N ATOM 540 CA LEU A 33 6.890 13.121 -7.352 1.00 0.00 C ATOM 541 C LEU A 33 5.643 13.460 -6.539 1.00 0.00 C ATOM 542 O LEU A 33 5.092 12.598 -5.859 1.00 0.00 O ATOM 543 CB LEU A 33 8.142 13.664 -6.655 1.00 0.00 C ATOM 544 CG LEU A 33 9.432 12.895 -6.951 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.614 13.545 -6.250 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.295 11.438 -6.531 1.00 0.00 C ATOM 0 H LEU A 33 7.513 14.359 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 33 6.947 12.034 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.281 14.704 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.972 13.658 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 33 9.611 12.926 -8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.522 12.984 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.726 14.571 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.443 13.546 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.222 10.908 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.090 11.385 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.475 10.976 -7.081 1.00 0.00 H new ATOM 558 N ALA A 34 5.198 14.708 -6.614 1.00 0.00 N ATOM 559 CA ALA A 34 4.022 15.144 -5.868 1.00 0.00 C ATOM 560 C ALA A 34 2.771 14.438 -6.374 1.00 0.00 C ATOM 561 O ALA A 34 1.951 13.970 -5.588 1.00 0.00 O ATOM 562 CB ALA A 34 3.858 16.652 -5.967 1.00 0.00 C ATOM 0 H ALA A 34 5.632 15.436 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 34 4.164 14.879 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.976 16.960 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.740 17.142 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.740 16.937 -7.012 1.00 0.00 H new ATOM 568 N ARG A 35 2.646 14.357 -7.690 1.00 0.00 N ATOM 569 CA ARG A 35 1.529 13.684 -8.330 1.00 0.00 C ATOM 570 C ARG A 35 1.479 12.218 -7.911 1.00 0.00 C ATOM 571 O ARG A 35 0.415 11.694 -7.588 1.00 0.00 O ATOM 572 CB ARG A 35 1.705 13.802 -9.843 1.00 0.00 C ATOM 573 CG ARG A 35 0.446 13.597 -10.654 1.00 0.00 C ATOM 574 CD ARG A 35 0.742 13.795 -12.132 1.00 0.00 C ATOM 575 NE ARG A 35 -0.433 13.620 -12.984 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.397 13.722 -14.316 1.00 0.00 C ATOM 577 NH1 ARG A 35 0.732 14.049 -14.932 1.00 0.00 N ATOM 578 NH2 ARG A 35 -1.491 13.517 -15.036 1.00 0.00 N ATOM 0 H ARG A 35 3.318 14.757 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 35 0.590 14.148 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.108 14.789 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.448 13.072 -10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.053 12.594 -10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.323 14.299 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.147 14.796 -12.284 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.514 13.089 -12.439 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.326 13.409 -12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.577 14.224 -14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.754 14.126 -15.949 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.369 13.279 -14.574 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.455 13.597 -16.052 1.00 0.00 H new ATOM 592 N LEU A 36 2.637 11.566 -7.899 1.00 0.00 N ATOM 593 CA LEU A 36 2.720 10.174 -7.477 1.00 0.00 C ATOM 594 C LEU A 36 2.442 10.036 -5.987 1.00 0.00 C ATOM 595 O LEU A 36 1.765 9.102 -5.566 1.00 0.00 O ATOM 596 CB LEU A 36 4.085 9.581 -7.816 1.00 0.00 C ATOM 597 CG LEU A 36 4.294 9.253 -9.294 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.640 8.588 -9.498 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.177 8.358 -9.812 1.00 0.00 C ATOM 0 H LEU A 36 3.528 11.978 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 36 1.957 9.619 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.858 10.282 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.224 8.670 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 36 4.274 10.185 -9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.776 8.360 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.432 9.260 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.681 7.665 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.347 8.138 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.163 7.428 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.220 8.867 -9.697 1.00 0.00 H new ATOM 611 N ASN A 37 2.963 10.970 -5.198 1.00 0.00 N ATOM 612 CA ASN A 37 2.674 11.012 -3.768 1.00 0.00 C ATOM 613 C ASN A 37 1.167 11.086 -3.560 1.00 0.00 C ATOM 614 O ASN A 37 0.598 10.361 -2.743 1.00 0.00 O ATOM 615 CB ASN A 37 3.352 12.229 -3.127 1.00 0.00 C ATOM 616 CG ASN A 37 3.138 12.309 -1.626 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.145 12.863 -1.157 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.082 11.779 -0.861 1.00 0.00 N ATOM 0 H ASN A 37 3.587 11.708 -5.524 1.00 0.00 H new ATOM 0 HA ASN A 37 3.062 10.109 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.422 12.192 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.969 13.137 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.999 11.822 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.891 11.328 -1.288 1.00 0.00 H new ATOM 625 N GLN A 38 0.533 11.947 -4.343 1.00 0.00 N ATOM 626 CA GLN A 38 -0.905 12.117 -4.317 1.00 0.00 C ATOM 627 C GLN A 38 -1.627 10.833 -4.721 1.00 0.00 C ATOM 628 O GLN A 38 -2.637 10.465 -4.118 1.00 0.00 O ATOM 629 CB GLN A 38 -1.293 13.274 -5.237 1.00 0.00 C ATOM 630 CG GLN A 38 -0.959 14.654 -4.674 1.00 0.00 C ATOM 631 CD GLN A 38 -1.728 15.032 -3.408 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.017 16.210 -3.185 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.031 14.067 -2.554 1.00 0.00 N ATOM 0 H GLN A 38 1.008 12.548 -5.016 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.212 12.349 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.785 13.150 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.364 13.223 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.109 14.695 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.159 15.402 -5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.779 13.101 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.516 14.289 -1.685 1.00 0.00 H new ATOM 642 N GLU A 39 -1.102 10.149 -5.733 1.00 0.00 N ATOM 643 CA GLU A 39 -1.667 8.877 -6.169 1.00 0.00 C ATOM 644 C GLU A 39 -1.569 7.831 -5.063 1.00 0.00 C ATOM 645 O GLU A 39 -2.513 7.070 -4.837 1.00 0.00 O ATOM 646 CB GLU A 39 -0.964 8.364 -7.426 1.00 0.00 C ATOM 647 CG GLU A 39 -1.213 9.218 -8.660 1.00 0.00 C ATOM 648 CD GLU A 39 -2.685 9.353 -8.990 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.328 8.328 -9.300 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.212 10.484 -8.932 1.00 0.00 O ATOM 0 H GLU A 39 -0.287 10.454 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.718 9.049 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.109 8.318 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.297 7.346 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.788 10.209 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.693 8.779 -9.511 1.00 0.00 H new ATOM 657 N ILE A 40 -0.425 7.802 -4.382 1.00 0.00 N ATOM 658 CA ILE A 40 -0.199 6.860 -3.288 1.00 0.00 C ATOM 659 C ILE A 40 -1.226 7.059 -2.180 1.00 0.00 C ATOM 660 O ILE A 40 -1.873 6.106 -1.749 1.00 0.00 O ATOM 661 CB ILE A 40 1.223 7.007 -2.694 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.282 6.666 -3.746 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.387 6.117 -1.467 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.701 6.887 -3.270 1.00 0.00 C ATOM 0 H ILE A 40 0.362 8.423 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.303 5.858 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 40 1.360 8.044 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.165 5.624 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.107 7.272 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.393 6.235 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.657 6.403 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.228 5.076 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.397 6.625 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.835 7.935 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.894 6.261 -2.399 1.00 0.00 H new ATOM 676 N VAL A 41 -1.391 8.307 -1.750 1.00 0.00 N ATOM 677 CA VAL A 41 -2.329 8.637 -0.680 1.00 0.00 C ATOM 678 C VAL A 41 -3.726 8.105 -0.994 1.00 0.00 C ATOM 679 O VAL A 41 -4.341 7.425 -0.174 1.00 0.00 O ATOM 680 CB VAL A 41 -2.403 10.163 -0.446 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.422 10.498 0.635 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.036 10.717 -0.076 1.00 0.00 C ATOM 0 H VAL A 41 -0.886 9.109 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.959 8.160 0.228 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.725 10.631 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.456 11.578 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.406 10.142 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.135 10.014 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.111 11.793 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.684 10.237 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.332 10.519 -0.884 1.00 0.00 H new ATOM 692 N LYS A 42 -4.211 8.407 -2.190 1.00 0.00 N ATOM 693 CA LYS A 42 -5.535 7.968 -2.613 1.00 0.00 C ATOM 694 C LYS A 42 -5.622 6.444 -2.692 1.00 0.00 C ATOM 695 O LYS A 42 -6.592 5.848 -2.228 1.00 0.00 O ATOM 696 CB LYS A 42 -5.887 8.578 -3.969 1.00 0.00 C ATOM 697 CG LYS A 42 -5.956 10.097 -3.958 1.00 0.00 C ATOM 698 CD LYS A 42 -6.293 10.649 -5.334 1.00 0.00 C ATOM 699 CE LYS A 42 -5.239 10.270 -6.361 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.564 10.789 -7.713 1.00 0.00 N ATOM 0 H LYS A 42 -3.707 8.955 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.251 8.310 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.145 8.262 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.848 8.182 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.708 10.423 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.001 10.503 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.264 10.269 -5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.377 11.734 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.271 10.660 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.148 9.185 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.735 10.688 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.360 10.250 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.825 11.793 -7.646 1.00 0.00 H new ATOM 714 N ALA A 43 -4.596 5.822 -3.264 1.00 0.00 N ATOM 715 CA ALA A 43 -4.596 4.380 -3.487 1.00 0.00 C ATOM 716 C ALA A 43 -4.558 3.603 -2.177 1.00 0.00 C ATOM 717 O ALA A 43 -5.335 2.667 -1.982 1.00 0.00 O ATOM 718 CB ALA A 43 -3.422 3.980 -4.364 1.00 0.00 C ATOM 0 H ALA A 43 -3.751 6.296 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.527 4.129 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.436 2.901 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.497 4.488 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.490 4.263 -3.875 1.00 0.00 H new ATOM 724 N GLU A 44 -3.662 4.001 -1.284 1.00 0.00 N ATOM 725 CA GLU A 44 -3.496 3.312 -0.011 1.00 0.00 C ATOM 726 C GLU A 44 -4.758 3.448 0.843 1.00 0.00 C ATOM 727 O GLU A 44 -5.181 2.493 1.493 1.00 0.00 O ATOM 728 CB GLU A 44 -2.285 3.873 0.738 1.00 0.00 C ATOM 729 CG GLU A 44 -0.963 3.716 -0.003 1.00 0.00 C ATOM 730 CD GLU A 44 -0.224 2.437 0.342 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.439 1.405 -0.295 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.610 2.443 1.266 1.00 0.00 O ATOM 0 H GLU A 44 -3.039 4.797 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.328 2.253 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.453 4.931 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.208 3.376 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.152 3.739 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.324 4.569 0.226 1.00 0.00 H new ATOM 739 N LYS A 45 -5.367 4.637 0.827 1.00 0.00 N ATOM 740 CA LYS A 45 -6.594 4.877 1.591 1.00 0.00 C ATOM 741 C LYS A 45 -7.779 4.122 0.998 1.00 0.00 C ATOM 742 O LYS A 45 -8.677 3.704 1.727 1.00 0.00 O ATOM 743 CB LYS A 45 -6.909 6.372 1.699 1.00 0.00 C ATOM 744 CG LYS A 45 -5.917 7.117 2.570 1.00 0.00 C ATOM 745 CD LYS A 45 -6.348 8.548 2.847 1.00 0.00 C ATOM 746 CE LYS A 45 -5.337 9.258 3.736 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.222 8.620 5.076 1.00 0.00 N ATOM 0 H LYS A 45 -5.034 5.443 0.298 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.420 4.497 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.912 6.811 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.912 6.499 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.798 6.587 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.942 7.122 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.454 9.089 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.326 8.551 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.362 9.255 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.630 10.301 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.677 9.225 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.691 7.692 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.218 8.497 5.317 1.00 0.00 H new ATOM 761 N GLN A 46 -7.786 3.948 -0.318 1.00 0.00 N ATOM 762 CA GLN A 46 -8.783 3.101 -0.961 1.00 0.00 C ATOM 763 C GLN A 46 -8.625 1.676 -0.452 1.00 0.00 C ATOM 764 O GLN A 46 -9.603 0.953 -0.248 1.00 0.00 O ATOM 765 CB GLN A 46 -8.624 3.145 -2.481 1.00 0.00 C ATOM 766 CG GLN A 46 -9.632 2.290 -3.236 1.00 0.00 C ATOM 767 CD GLN A 46 -11.075 2.607 -2.881 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.417 3.737 -2.532 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.933 1.606 -2.972 1.00 0.00 N ATOM 0 H GLN A 46 -7.118 4.379 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.780 3.466 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.717 4.178 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.618 2.816 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.489 2.433 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.436 1.239 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.611 0.683 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.917 1.756 -2.749 1.00 0.00 H new ATOM 778 N GLY A 47 -7.374 1.290 -0.244 1.00 0.00 N ATOM 779 CA GLY A 47 -7.081 0.019 0.385 1.00 0.00 C ATOM 780 C GLY A 47 -7.632 -0.044 1.796 1.00 0.00 C ATOM 781 O GLY A 47 -8.289 -1.012 2.171 1.00 0.00 O ATOM 0 H GLY A 47 -6.553 1.838 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.508 -0.789 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.002 -0.137 0.407 1.00 0.00 H new ATOM 785 N VAL A 48 -7.389 1.003 2.572 1.00 0.00 N ATOM 786 CA VAL A 48 -7.932 1.096 3.922 1.00 0.00 C ATOM 787 C VAL A 48 -9.455 0.957 3.895 1.00 0.00 C ATOM 788 O VAL A 48 -10.043 0.303 4.755 1.00 0.00 O ATOM 789 CB VAL A 48 -7.546 2.430 4.601 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.137 2.522 6.001 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.034 2.577 4.656 1.00 0.00 C ATOM 0 H VAL A 48 -6.819 1.801 2.291 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.502 0.280 4.503 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.958 3.244 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.850 3.470 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.224 2.462 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.761 1.699 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.777 3.521 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.609 1.752 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.630 2.564 3.644 1.00 0.00 H new ATOM 801 N LYS A 49 -10.076 1.549 2.878 1.00 0.00 N ATOM 802 CA LYS A 49 -11.527 1.519 2.733 1.00 0.00 C ATOM 803 C LYS A 49 -12.047 0.088 2.574 1.00 0.00 C ATOM 804 O LYS A 49 -12.978 -0.316 3.274 1.00 0.00 O ATOM 805 CB LYS A 49 -11.961 2.363 1.531 1.00 0.00 C ATOM 806 CG LYS A 49 -13.467 2.572 1.448 1.00 0.00 C ATOM 807 CD LYS A 49 -13.969 3.463 2.576 1.00 0.00 C ATOM 808 CE LYS A 49 -15.487 3.562 2.589 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.037 3.913 1.256 1.00 0.00 N ATOM 0 H LYS A 49 -9.592 2.058 2.138 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.956 1.938 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.470 3.335 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.618 1.881 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.721 3.021 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.972 1.607 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.623 3.069 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.541 4.460 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.909 2.611 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.794 4.313 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.045 4.152 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.521 4.730 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.931 3.103 0.612 1.00 0.00 H new ATOM 823 N VAL A 50 -11.453 -0.686 1.664 1.00 0.00 N ATOM 824 CA VAL A 50 -11.896 -2.060 1.446 1.00 0.00 C ATOM 825 C VAL A 50 -11.574 -2.942 2.645 1.00 0.00 C ATOM 826 O VAL A 50 -12.368 -3.805 3.014 1.00 0.00 O ATOM 827 CB VAL A 50 -11.311 -2.695 0.161 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.969 -2.108 -1.075 1.00 0.00 C ATOM 829 CG2 VAL A 50 -9.803 -2.521 0.085 1.00 0.00 C ATOM 0 H VAL A 50 -10.675 -0.389 1.075 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.977 -2.002 1.317 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.523 -3.763 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.543 -2.568 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.041 -2.302 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.795 -1.032 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.430 -2.980 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.559 -1.459 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.338 -3.000 0.947 1.00 0.00 H new ATOM 839 N TYR A 51 -10.423 -2.714 3.266 1.00 0.00 N ATOM 840 CA TYR A 51 -10.041 -3.480 4.444 1.00 0.00 C ATOM 841 C TYR A 51 -10.983 -3.188 5.609 1.00 0.00 C ATOM 842 O TYR A 51 -11.509 -4.108 6.229 1.00 0.00 O ATOM 843 CB TYR A 51 -8.585 -3.196 4.834 1.00 0.00 C ATOM 844 CG TYR A 51 -7.573 -3.992 4.028 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.080 -3.516 2.820 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.111 -5.223 4.480 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.163 -4.240 2.084 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.195 -5.954 3.749 1.00 0.00 C ATOM 849 CZ TYR A 51 -5.723 -5.457 2.554 1.00 0.00 C ATOM 850 OH TYR A 51 -4.810 -6.179 1.824 1.00 0.00 O ATOM 0 H TYR A 51 -9.743 -2.011 2.976 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.123 -4.539 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.384 -2.132 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.451 -3.420 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.421 -2.561 2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.475 -5.614 5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.793 -3.854 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.850 -6.911 4.113 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.602 -7.014 2.294 1.00 0.00 H new ATOM 860 N LYS A 52 -11.220 -1.910 5.884 1.00 0.00 N ATOM 861 CA LYS A 52 -12.108 -1.512 6.977 1.00 0.00 C ATOM 862 C LYS A 52 -13.520 -2.046 6.750 1.00 0.00 C ATOM 863 O LYS A 52 -14.191 -2.490 7.684 1.00 0.00 O ATOM 864 CB LYS A 52 -12.139 0.013 7.105 1.00 0.00 C ATOM 865 CG LYS A 52 -12.980 0.518 8.266 1.00 0.00 C ATOM 866 CD LYS A 52 -12.987 2.037 8.327 1.00 0.00 C ATOM 867 CE LYS A 52 -13.890 2.543 9.436 1.00 0.00 C ATOM 868 NZ LYS A 52 -13.899 4.027 9.504 1.00 0.00 N ATOM 0 H LYS A 52 -10.812 -1.131 5.368 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.722 -1.939 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.119 0.378 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.525 0.438 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.002 0.152 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.590 0.117 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.972 2.401 8.488 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.322 2.439 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.905 2.180 9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.556 2.137 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.527 4.335 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.935 4.372 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.242 4.414 8.601 1.00 0.00 H new ATOM 882 N GLU A 53 -13.955 -2.005 5.501 1.00 0.00 N ATOM 883 CA GLU A 53 -15.274 -2.492 5.126 1.00 0.00 C ATOM 884 C GLU A 53 -15.376 -4.000 5.357 1.00 0.00 C ATOM 885 O GLU A 53 -16.384 -4.497 5.864 1.00 0.00 O ATOM 886 CB GLU A 53 -15.540 -2.147 3.659 1.00 0.00 C ATOM 887 CG GLU A 53 -16.938 -2.485 3.180 1.00 0.00 C ATOM 888 CD GLU A 53 -17.211 -1.953 1.787 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.581 -0.767 1.661 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.053 -2.711 0.809 1.00 0.00 O ATOM 0 H GLU A 53 -13.409 -1.636 4.723 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.028 -2.010 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.366 -1.081 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.818 -2.676 3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.071 -3.567 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.668 -2.070 3.875 1.00 0.00 H new ATOM 897 N ALA A 54 -14.321 -4.719 4.998 1.00 0.00 N ATOM 898 CA ALA A 54 -14.273 -6.163 5.178 1.00 0.00 C ATOM 899 C ALA A 54 -14.121 -6.538 6.652 1.00 0.00 C ATOM 900 O ALA A 54 -14.629 -7.567 7.096 1.00 0.00 O ATOM 901 CB ALA A 54 -13.138 -6.752 4.357 1.00 0.00 C ATOM 0 H ALA A 54 -13.481 -4.322 4.577 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.218 -6.580 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.110 -7.832 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.297 -6.528 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.192 -6.319 4.681 1.00 0.00 H new ATOM 907 N ALA A 55 -13.416 -5.697 7.400 1.00 0.00 N ATOM 908 CA ALA A 55 -13.176 -5.932 8.821 1.00 0.00 C ATOM 909 C ALA A 55 -14.484 -6.023 9.601 1.00 0.00 C ATOM 910 O ALA A 55 -14.630 -6.858 10.492 1.00 0.00 O ATOM 911 CB ALA A 55 -12.296 -4.835 9.399 1.00 0.00 C ATOM 0 H ALA A 55 -12.997 -4.838 7.043 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.661 -6.888 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.127 -5.025 10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.340 -4.822 8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.790 -3.871 9.278 1.00 0.00 H new ATOM 917 N GLU A 56 -15.441 -5.174 9.246 1.00 0.00 N ATOM 918 CA GLU A 56 -16.738 -5.161 9.913 1.00 0.00 C ATOM 919 C GLU A 56 -17.663 -6.232 9.336 1.00 0.00 C ATOM 920 O GLU A 56 -18.874 -6.209 9.562 1.00 0.00 O ATOM 921 CB GLU A 56 -17.392 -3.783 9.788 1.00 0.00 C ATOM 922 CG GLU A 56 -16.650 -2.677 10.522 1.00 0.00 C ATOM 923 CD GLU A 56 -16.562 -2.914 12.019 1.00 0.00 C ATOM 924 OE1 GLU A 56 -17.591 -3.272 12.636 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.466 -2.737 12.591 1.00 0.00 O ATOM 0 H GLU A 56 -15.344 -4.485 8.500 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.573 -5.380 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.463 -3.520 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.411 -3.840 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.643 -2.590 10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.152 -1.727 10.339 1.00 0.00 H new ATOM 932 N LYS A 57 -17.091 -7.169 8.593 1.00 0.00 N ATOM 933 CA LYS A 57 -17.842 -8.292 8.054 1.00 0.00 C ATOM 934 C LYS A 57 -16.972 -9.546 8.097 1.00 0.00 C ATOM 935 O LYS A 57 -17.049 -10.417 7.224 1.00 0.00 O ATOM 936 CB LYS A 57 -18.284 -8.001 6.617 1.00 0.00 C ATOM 937 CG LYS A 57 -19.379 -8.935 6.123 1.00 0.00 C ATOM 938 CD LYS A 57 -19.550 -8.856 4.616 1.00 0.00 C ATOM 939 CE LYS A 57 -18.281 -9.275 3.894 1.00 0.00 C ATOM 940 NZ LYS A 57 -17.861 -10.655 4.262 1.00 0.00 N ATOM 0 H LYS A 57 -16.101 -7.172 8.349 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.735 -8.450 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.638 -6.972 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.421 -8.082 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.139 -9.959 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -20.321 -8.681 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.375 -9.498 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.814 -7.838 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.441 -9.220 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.480 -8.576 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.011 -10.915 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.650 -10.694 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.628 -11.322 4.041 1.00 0.00 H new ATOM 954 N ALA A 58 -16.134 -9.626 9.122 1.00 0.00 N ATOM 955 CA ALA A 58 -15.223 -10.749 9.281 1.00 0.00 C ATOM 956 C ALA A 58 -15.880 -11.886 10.056 1.00 0.00 C ATOM 957 O ALA A 58 -16.141 -11.767 11.253 1.00 0.00 O ATOM 958 CB ALA A 58 -13.943 -10.300 9.971 1.00 0.00 C ATOM 0 H ALA A 58 -16.067 -8.923 9.858 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.971 -11.123 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.272 -11.152 10.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.457 -9.531 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.182 -9.895 10.954 1.00 0.00 H new ATOM 964 N ARG A 59 -16.142 -12.986 9.358 1.00 0.00 N ATOM 965 CA ARG A 59 -16.752 -14.168 9.963 1.00 0.00 C ATOM 966 C ARG A 59 -15.878 -14.727 11.086 1.00 0.00 C ATOM 967 O ARG A 59 -16.378 -15.221 12.098 1.00 0.00 O ATOM 968 CB ARG A 59 -16.976 -15.245 8.898 1.00 0.00 C ATOM 969 CG ARG A 59 -17.903 -14.817 7.772 1.00 0.00 C ATOM 970 CD ARG A 59 -18.051 -15.917 6.734 1.00 0.00 C ATOM 971 NE ARG A 59 -18.521 -17.166 7.330 1.00 0.00 N ATOM 972 CZ ARG A 59 -18.524 -18.345 6.709 1.00 0.00 C ATOM 973 NH1 ARG A 59 -18.131 -18.448 5.446 1.00 0.00 N ATOM 974 NH2 ARG A 59 -18.936 -19.423 7.355 1.00 0.00 N ATOM 0 H ARG A 59 -15.940 -13.085 8.363 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.710 -13.872 10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.013 -15.528 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.388 -16.134 9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.882 -14.564 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.512 -13.916 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.751 -15.597 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.092 -16.086 6.244 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.871 -17.133 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.822 -17.619 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.138 -19.356 4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.249 -19.349 8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.941 -20.328 6.885 1.00 0.00 H new ATOM 988 N ASN A 60 -14.571 -14.627 10.900 1.00 0.00 N ATOM 989 CA ASN A 60 -13.606 -15.138 11.866 1.00 0.00 C ATOM 990 C ASN A 60 -12.665 -14.017 12.291 1.00 0.00 C ATOM 991 O ASN A 60 -12.138 -13.300 11.440 1.00 0.00 O ATOM 992 CB ASN A 60 -12.826 -16.307 11.239 1.00 0.00 C ATOM 993 CG ASN A 60 -11.718 -16.865 12.123 1.00 0.00 C ATOM 994 OD1 ASN A 60 -11.744 -16.739 13.344 1.00 0.00 O ATOM 995 ND2 ASN A 60 -10.743 -17.515 11.506 1.00 0.00 N ATOM 0 H ASN A 60 -14.149 -14.192 10.080 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.124 -15.504 12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.525 -17.109 11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.391 -15.974 10.297 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.984 -17.929 12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.751 -17.602 10.490 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.489 -13.815 13.611 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.568 -12.809 14.163 1.00 0.00 C ATOM 1004 C PRO A 61 -10.191 -12.811 13.497 1.00 0.00 C ATOM 1005 O PRO A 61 -9.578 -11.761 13.335 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.452 -13.220 15.629 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.770 -13.830 15.941 1.00 0.00 C ATOM 1008 CD PRO A 61 -13.218 -14.524 14.682 1.00 0.00 C ATOM 0 HA PRO A 61 -11.940 -11.797 14.004 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.639 -13.930 15.781 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.249 -12.361 16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.687 -14.537 16.767 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.490 -13.069 16.244 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.970 -15.585 14.700 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.297 -14.451 14.547 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.718 -13.987 13.098 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.424 -14.103 12.423 1.00 0.00 C ATOM 1018 C GLU A 62 -8.443 -13.374 11.081 1.00 0.00 C ATOM 1019 O GLU A 62 -7.436 -12.817 10.652 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.062 -15.573 12.218 1.00 0.00 C ATOM 1021 CG GLU A 62 -7.936 -16.346 13.517 1.00 0.00 C ATOM 1022 CD GLU A 62 -7.741 -17.830 13.297 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -8.744 -18.527 13.049 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -6.588 -18.309 13.390 1.00 0.00 O ATOM 0 H GLU A 62 -10.207 -14.872 13.228 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.668 -13.638 13.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.823 -16.044 11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.120 -15.636 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.094 -15.954 14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.831 -16.187 14.118 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.603 -13.368 10.435 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.773 -12.682 9.161 1.00 0.00 C ATOM 1033 C LYS A 63 -9.706 -11.175 9.397 1.00 0.00 C ATOM 1034 O LYS A 63 -9.126 -10.435 8.604 1.00 0.00 O ATOM 1035 CB LYS A 63 -11.114 -13.099 8.529 1.00 0.00 C ATOM 1036 CG LYS A 63 -11.220 -12.889 7.019 1.00 0.00 C ATOM 1037 CD LYS A 63 -11.608 -11.463 6.654 1.00 0.00 C ATOM 1038 CE LYS A 63 -11.720 -11.282 5.144 1.00 0.00 C ATOM 1039 NZ LYS A 63 -12.911 -11.967 4.563 1.00 0.00 N ATOM 0 H LYS A 63 -10.444 -13.834 10.776 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.978 -12.957 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.286 -14.153 8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.914 -12.540 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.265 -13.132 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.959 -13.579 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.560 -11.213 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.866 -10.770 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.771 -10.218 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.818 -11.668 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.647 -12.419 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.254 -12.690 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.663 -11.270 4.392 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.280 -10.733 10.516 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.200 -9.331 10.908 1.00 0.00 C ATOM 1055 C ARG A 64 -8.774 -8.983 11.316 1.00 0.00 C ATOM 1056 O ARG A 64 -8.276 -7.915 10.989 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.145 -9.017 12.074 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.157 -7.539 12.446 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.776 -7.289 13.813 1.00 0.00 C ATOM 1060 NE ARG A 64 -13.167 -7.731 13.892 1.00 0.00 N ATOM 1061 CZ ARG A 64 -14.197 -6.911 14.103 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -14.001 -5.602 14.205 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -15.424 -7.401 14.226 1.00 0.00 N ATOM 0 H ARG A 64 -10.802 -11.324 11.162 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.500 -8.732 10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.156 -9.328 11.810 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.848 -9.603 12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.136 -7.157 12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.712 -6.982 11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.191 -7.807 14.573 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.724 -6.225 14.042 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.361 -8.726 13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.059 -5.219 14.122 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.792 -4.979 14.366 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.581 -8.407 14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.211 -6.772 14.387 1.00 0.00 H new ATOM 1077 N GLN A 65 -8.132 -9.903 12.032 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.778 -9.725 12.523 1.00 0.00 C ATOM 1079 C GLN A 65 -5.807 -9.408 11.392 1.00 0.00 C ATOM 1080 O GLN A 65 -4.991 -8.490 11.504 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.356 -11.010 13.229 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.915 -11.029 13.677 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.482 -12.396 14.167 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -4.998 -13.422 13.721 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -3.531 -12.428 15.081 1.00 0.00 N ATOM 0 H GLN A 65 -8.546 -10.800 12.287 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.757 -8.881 13.212 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.996 -11.160 14.098 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.527 -11.852 12.558 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.276 -10.723 12.849 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.775 -10.299 14.474 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.127 -11.558 15.427 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.200 -13.323 15.441 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.911 -10.156 10.301 1.00 0.00 N ATOM 1095 CA VAL A 66 -5.065 -9.928 9.138 1.00 0.00 C ATOM 1096 C VAL A 66 -5.379 -8.572 8.512 1.00 0.00 C ATOM 1097 O VAL A 66 -4.477 -7.783 8.220 1.00 0.00 O ATOM 1098 CB VAL A 66 -5.241 -11.048 8.086 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.377 -10.784 6.863 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.900 -12.401 8.690 1.00 0.00 C ATOM 0 H VAL A 66 -6.573 -10.925 10.198 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.028 -9.937 9.474 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.285 -11.057 7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.518 -11.585 6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.663 -9.833 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.329 -10.744 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.029 -13.178 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.865 -12.396 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.561 -12.600 9.534 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.667 -8.303 8.349 1.00 0.00 N ATOM 1111 CA ILE A 67 -7.134 -7.042 7.789 1.00 0.00 C ATOM 1112 C ILE A 67 -6.689 -5.854 8.639 1.00 0.00 C ATOM 1113 O ILE A 67 -6.153 -4.876 8.123 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.672 -7.040 7.679 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -9.123 -7.979 6.560 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.201 -5.632 7.455 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.624 -8.060 6.412 1.00 0.00 C ATOM 0 H ILE A 67 -7.415 -8.950 8.600 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.694 -6.943 6.797 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.085 -7.402 8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.690 -7.643 5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.730 -8.977 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.288 -5.659 7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.910 -4.997 8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.785 -5.229 6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.873 -8.743 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.062 -8.425 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.021 -7.070 6.188 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.899 -5.963 9.942 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.602 -4.885 10.882 1.00 0.00 C ATOM 1131 C ASP A 68 -5.121 -4.530 10.860 1.00 0.00 C ATOM 1132 O ASP A 68 -4.754 -3.352 10.884 1.00 0.00 O ATOM 1133 CB ASP A 68 -7.025 -5.298 12.294 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.738 -4.238 13.337 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.561 -3.308 13.494 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.705 -4.348 14.027 1.00 0.00 O ATOM 0 H ASP A 68 -7.280 -6.801 10.381 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.164 -4.001 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.092 -5.521 12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.507 -6.217 12.567 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.279 -5.553 10.792 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.836 -5.354 10.767 1.00 0.00 C ATOM 1143 C LYS A 69 -2.419 -4.577 9.514 1.00 0.00 C ATOM 1144 O LYS A 69 -1.651 -3.617 9.597 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.136 -6.724 10.837 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.610 -6.676 10.884 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.003 -6.479 9.503 1.00 0.00 C ATOM 1148 CE LYS A 69 1.513 -6.459 9.547 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.085 -6.151 8.214 1.00 0.00 N ATOM 0 H LYS A 69 -4.571 -6.530 10.753 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.534 -4.761 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.494 -7.252 11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.438 -7.313 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.293 -5.864 11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.231 -7.602 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.336 -7.280 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.366 -5.543 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.848 -5.716 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.882 -7.426 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.988 -6.655 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.422 -6.455 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.248 -5.127 8.134 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.945 -4.979 8.364 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.635 -4.308 7.108 1.00 0.00 C ATOM 1165 C ILE A 70 -3.298 -2.932 7.039 1.00 0.00 C ATOM 1166 O ILE A 70 -2.718 -1.985 6.516 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.020 -5.172 5.887 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.118 -6.412 5.845 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.911 -4.373 4.593 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.238 -7.232 4.577 1.00 0.00 C ATOM 0 H ILE A 70 -3.588 -5.766 8.275 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.555 -4.163 7.076 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.059 -5.486 5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.081 -6.096 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.355 -7.048 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.188 -5.006 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.581 -3.515 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.886 -4.026 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.566 -8.088 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.264 -7.582 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.970 -6.616 3.719 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.510 -2.829 7.569 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.219 -1.552 7.639 1.00 0.00 C ATOM 1184 C LEU A 71 -4.358 -0.521 8.366 1.00 0.00 C ATOM 1185 O LEU A 71 -4.188 0.604 7.897 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.564 -1.752 8.360 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.587 -0.610 8.254 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.963 -1.108 8.665 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.193 0.575 9.126 1.00 0.00 C ATOM 0 H LEU A 71 -5.027 -3.617 7.959 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.415 -1.183 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.026 -2.659 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.360 -1.927 9.416 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.609 -0.277 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.683 -0.293 8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.266 -1.924 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.928 -1.465 9.694 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.939 1.364 9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.137 0.258 10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.221 0.953 8.809 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.812 -0.926 9.507 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.925 -0.070 10.284 1.00 0.00 C ATOM 1203 C GLU A 72 -1.646 0.209 9.501 1.00 0.00 C ATOM 1204 O GLU A 72 -1.148 1.336 9.476 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.597 -0.750 11.619 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.740 0.084 12.560 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.408 1.379 12.969 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.477 1.325 13.614 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -1.872 2.457 12.642 1.00 0.00 O ATOM 0 H GLU A 72 -3.970 -1.847 9.916 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.422 0.880 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.530 -1.000 12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.083 -1.690 11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.514 -0.500 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.789 0.308 12.076 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.146 -0.828 8.840 1.00 0.00 N ATOM 1217 CA ASP A 73 0.085 -0.748 8.059 1.00 0.00 C ATOM 1218 C ASP A 73 -0.045 0.270 6.933 1.00 0.00 C ATOM 1219 O ASP A 73 0.814 1.124 6.741 1.00 0.00 O ATOM 1220 CB ASP A 73 0.383 -2.101 7.419 1.00 0.00 C ATOM 1221 CG ASP A 73 1.814 -2.552 7.588 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.667 -2.130 6.776 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.086 -3.378 8.477 1.00 0.00 O ATOM 0 H ASP A 73 -1.582 -1.750 8.830 1.00 0.00 H new ATOM 0 HA ASP A 73 0.884 -0.450 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.278 -2.851 7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.151 -2.048 6.355 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.134 0.151 6.190 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.357 0.937 4.987 1.00 0.00 C ATOM 1230 C GLU A 74 -1.436 2.433 5.309 1.00 0.00 C ATOM 1231 O GLU A 74 -0.893 3.252 4.570 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.632 0.436 4.294 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.468 0.143 2.806 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.154 -0.541 2.462 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.181 0.178 2.193 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -1.076 -1.801 2.437 1.00 0.00 O ATOM 0 H GLU A 74 -1.892 -0.497 6.406 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.513 0.810 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.971 -0.471 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.417 1.182 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.294 -0.487 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.538 1.078 2.250 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.082 2.788 6.423 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.111 4.183 6.862 1.00 0.00 C ATOM 1245 C GLU A 75 -0.719 4.651 7.287 1.00 0.00 C ATOM 1246 O GLU A 75 -0.338 5.798 7.044 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.100 4.393 8.016 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.495 4.820 7.578 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.470 5.950 6.562 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.533 6.773 6.601 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.329 5.958 5.663 1.00 0.00 O ATOM 0 H GLU A 75 -2.584 2.139 7.028 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.444 4.778 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.178 3.466 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.697 5.148 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.015 3.963 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.065 5.135 8.452 1.00 0.00 H new ATOM 1258 N LYS A 76 0.040 3.752 7.908 1.00 0.00 N ATOM 1259 CA LYS A 76 1.401 4.056 8.349 1.00 0.00 C ATOM 1260 C LYS A 76 2.269 4.481 7.174 1.00 0.00 C ATOM 1261 O LYS A 76 3.099 5.387 7.293 1.00 0.00 O ATOM 1262 CB LYS A 76 2.022 2.833 9.031 1.00 0.00 C ATOM 1263 CG LYS A 76 1.546 2.612 10.455 1.00 0.00 C ATOM 1264 CD LYS A 76 2.227 3.569 11.417 1.00 0.00 C ATOM 1265 CE LYS A 76 3.721 3.291 11.506 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.409 4.215 12.444 1.00 0.00 N ATOM 0 H LYS A 76 -0.265 2.802 8.119 1.00 0.00 H new ATOM 0 HA LYS A 76 1.350 4.880 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.794 1.946 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.106 2.943 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.466 2.749 10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.751 1.584 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.065 4.596 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.778 3.476 12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.879 2.263 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.166 3.384 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.424 3.989 12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.282 5.195 12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.004 4.109 13.396 1.00 0.00 H new ATOM 1280 N HIS A 77 2.063 3.824 6.040 1.00 0.00 N ATOM 1281 CA HIS A 77 2.804 4.133 4.824 1.00 0.00 C ATOM 1282 C HIS A 77 2.525 5.568 4.384 1.00 0.00 C ATOM 1283 O HIS A 77 3.441 6.339 4.083 1.00 0.00 O ATOM 1284 CB HIS A 77 2.394 3.191 3.695 1.00 0.00 C ATOM 1285 CG HIS A 77 2.631 1.739 3.958 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.124 0.744 3.161 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.308 1.117 4.954 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.487 -0.428 3.684 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.211 -0.270 4.777 1.00 0.00 N ATOM 0 H HIS A 77 1.385 3.069 5.937 1.00 0.00 H new ATOM 0 HA HIS A 77 3.866 4.010 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.334 3.338 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.937 3.473 2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.837 1.611 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.222 -1.388 3.265 1.00 0.00 H new ATOM 1296 N ILE A 78 1.240 5.911 4.358 1.00 0.00 N ATOM 1297 CA ILE A 78 0.790 7.230 3.928 1.00 0.00 C ATOM 1298 C ILE A 78 1.343 8.310 4.839 1.00 0.00 C ATOM 1299 O ILE A 78 1.798 9.358 4.376 1.00 0.00 O ATOM 1300 CB ILE A 78 -0.746 7.324 3.932 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.343 6.156 3.156 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.203 8.649 3.334 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -2.839 6.029 3.313 1.00 0.00 C ATOM 0 H ILE A 78 0.484 5.284 4.634 1.00 0.00 H new ATOM 0 HA ILE A 78 1.158 7.379 2.913 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.096 7.276 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.106 6.274 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.871 5.231 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.292 8.697 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.797 9.473 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.847 8.726 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.195 5.177 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.083 5.880 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.321 6.938 2.954 1.00 0.00 H new ATOM 1315 N GLU A 79 1.304 8.044 6.135 1.00 0.00 N ATOM 1316 CA GLU A 79 1.814 8.975 7.126 1.00 0.00 C ATOM 1317 C GLU A 79 3.277 9.311 6.864 1.00 0.00 C ATOM 1318 O GLU A 79 3.693 10.456 7.037 1.00 0.00 O ATOM 1319 CB GLU A 79 1.639 8.402 8.529 1.00 0.00 C ATOM 1320 CG GLU A 79 0.189 8.344 8.975 1.00 0.00 C ATOM 1321 CD GLU A 79 -0.447 9.717 9.009 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.850 10.223 7.939 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -0.521 10.312 10.103 1.00 0.00 O ATOM 0 H GLU A 79 0.921 7.183 6.526 1.00 0.00 H new ATOM 0 HA GLU A 79 1.241 9.899 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.062 7.398 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.206 9.009 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.373 7.700 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.132 7.893 9.966 1.00 0.00 H new ATOM 1330 N TRP A 80 4.042 8.319 6.422 1.00 0.00 N ATOM 1331 CA TRP A 80 5.445 8.528 6.094 1.00 0.00 C ATOM 1332 C TRP A 80 5.583 9.425 4.864 1.00 0.00 C ATOM 1333 O TRP A 80 6.280 10.440 4.900 1.00 0.00 O ATOM 1334 CB TRP A 80 6.149 7.187 5.852 1.00 0.00 C ATOM 1335 CG TRP A 80 7.585 7.331 5.455 1.00 0.00 C ATOM 1336 CD1 TRP A 80 8.181 6.771 4.370 1.00 0.00 C ATOM 1337 CD2 TRP A 80 8.603 8.081 6.132 1.00 0.00 C ATOM 1338 NE1 TRP A 80 9.506 7.128 4.319 1.00 0.00 N ATOM 1339 CE2 TRP A 80 9.790 7.930 5.394 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.626 8.865 7.291 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.986 8.538 5.771 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.813 9.466 7.666 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.980 9.296 6.910 1.00 0.00 C ATOM 0 H TRP A 80 3.713 7.363 6.283 1.00 0.00 H new ATOM 0 HA TRP A 80 5.921 9.023 6.941 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.089 6.585 6.759 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.617 6.642 5.072 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.684 6.136 3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 80 10.170 6.843 3.599 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.732 8.998 7.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.885 8.415 5.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.841 10.077 8.556 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.894 9.773 7.233 1.00 0.00 H new ATOM 1354 N HIS A 81 4.905 9.055 3.780 1.00 0.00 N ATOM 1355 CA HIS A 81 4.969 9.827 2.542 1.00 0.00 C ATOM 1356 C HIS A 81 4.432 11.244 2.730 1.00 0.00 C ATOM 1357 O HIS A 81 4.898 12.183 2.080 1.00 0.00 O ATOM 1358 CB HIS A 81 4.205 9.120 1.419 1.00 0.00 C ATOM 1359 CG HIS A 81 4.905 7.901 0.896 1.00 0.00 C ATOM 1360 ND1 HIS A 81 5.986 7.947 0.040 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.673 6.582 1.130 1.00 0.00 C ATOM 1362 CE1 HIS A 81 6.367 6.691 -0.213 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.605 5.825 0.423 1.00 0.00 N ATOM 0 H HIS A 81 4.308 8.229 3.734 1.00 0.00 H new ATOM 0 HA HIS A 81 6.020 9.900 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.219 8.834 1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.050 9.821 0.598 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.892 6.185 1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.192 6.421 -0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.682 4.808 0.402 1.00 0.00 H new ATOM 1371 N LYS A 82 3.455 11.397 3.617 1.00 0.00 N ATOM 1372 CA LYS A 82 2.881 12.707 3.905 1.00 0.00 C ATOM 1373 C LYS A 82 3.870 13.569 4.688 1.00 0.00 C ATOM 1374 O LYS A 82 4.008 14.767 4.432 1.00 0.00 O ATOM 1375 CB LYS A 82 1.578 12.559 4.699 1.00 0.00 C ATOM 1376 CG LYS A 82 0.810 13.865 4.864 1.00 0.00 C ATOM 1377 CD LYS A 82 -0.453 13.691 5.702 1.00 0.00 C ATOM 1378 CE LYS A 82 -0.167 13.701 7.202 1.00 0.00 C ATOM 1379 NZ LYS A 82 0.530 12.473 7.666 1.00 0.00 N ATOM 0 H LYS A 82 3.044 10.630 4.149 1.00 0.00 H new ATOM 0 HA LYS A 82 2.664 13.197 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.938 11.832 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.808 12.156 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.456 14.607 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.541 14.253 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.156 14.490 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.936 12.751 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.442 14.572 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.106 13.807 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.459 12.404 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.088 11.638 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.532 12.517 7.390 1.00 0.00 H new ATOM 1393 N ALA A 83 4.574 12.942 5.628 1.00 0.00 N ATOM 1394 CA ALA A 83 5.507 13.649 6.500 1.00 0.00 C ATOM 1395 C ALA A 83 6.688 14.223 5.722 1.00 0.00 C ATOM 1396 O ALA A 83 7.317 15.190 6.160 1.00 0.00 O ATOM 1397 CB ALA A 83 6.005 12.724 7.598 1.00 0.00 C ATOM 0 H ALA A 83 4.515 11.939 5.805 1.00 0.00 H new ATOM 0 HA ALA A 83 4.968 14.484 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.700 13.264 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.160 12.374 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.513 11.869 7.151 1.00 0.00 H new ATOM 1403 N ALA A 84 6.985 13.625 4.573 1.00 0.00 N ATOM 1404 CA ALA A 84 8.070 14.095 3.721 1.00 0.00 C ATOM 1405 C ALA A 84 7.825 15.537 3.281 1.00 0.00 C ATOM 1406 O ALA A 84 8.668 16.407 3.493 1.00 0.00 O ATOM 1407 CB ALA A 84 8.228 13.185 2.512 1.00 0.00 C ATOM 0 H ALA A 84 6.488 12.812 4.210 1.00 0.00 H new ATOM 0 HA ALA A 84 8.995 14.068 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.042 13.550 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.453 12.172 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.302 13.180 1.937 1.00 0.00 H new ATOM 1413 N SER A 85 6.660 15.773 2.671 1.00 0.00 N ATOM 1414 CA SER A 85 6.256 17.112 2.224 1.00 0.00 C ATOM 1415 C SER A 85 7.261 17.708 1.227 1.00 0.00 C ATOM 1416 O SER A 85 7.296 18.921 1.023 1.00 0.00 O ATOM 1417 CB SER A 85 6.089 18.038 3.434 1.00 0.00 C ATOM 1418 OG SER A 85 5.149 17.503 4.356 1.00 0.00 O ATOM 0 H SER A 85 5.972 15.046 2.473 1.00 0.00 H new ATOM 0 HA SER A 85 5.301 17.019 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.051 18.175 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.758 19.022 3.101 1.00 0.00 H new ATOM 0 HG SER A 85 4.875 16.609 4.062 1.00 0.00 H new ATOM 1424 N LYS A 86 8.053 16.835 0.602 1.00 0.00 N ATOM 1425 CA LYS A 86 9.062 17.231 -0.381 1.00 0.00 C ATOM 1426 C LYS A 86 10.116 18.156 0.229 1.00 0.00 C ATOM 1427 O LYS A 86 9.959 19.378 0.244 1.00 0.00 O ATOM 1428 CB LYS A 86 8.422 17.911 -1.600 1.00 0.00 C ATOM 1429 CG LYS A 86 9.410 18.182 -2.728 1.00 0.00 C ATOM 1430 CD LYS A 86 8.822 19.089 -3.801 1.00 0.00 C ATOM 1431 CE LYS A 86 8.559 20.491 -3.269 1.00 0.00 C ATOM 1432 NZ LYS A 86 8.143 21.427 -4.348 1.00 0.00 N ATOM 0 H LYS A 86 8.012 15.829 0.765 1.00 0.00 H new ATOM 0 HA LYS A 86 9.554 16.315 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.616 17.282 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.972 18.853 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.309 18.642 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.712 17.237 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.507 19.143 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.891 18.659 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.782 20.449 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.460 20.871 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.268 22.407 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.727 21.265 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.143 21.264 -4.582 1.00 0.00 H new ATOM 1446 N GLN A 87 11.178 17.566 0.751 1.00 0.00 N ATOM 1447 CA GLN A 87 12.333 18.336 1.193 1.00 0.00 C ATOM 1448 C GLN A 87 13.355 18.348 0.067 1.00 0.00 C ATOM 1449 O GLN A 87 13.489 19.321 -0.677 1.00 0.00 O ATOM 1450 CB GLN A 87 12.974 17.711 2.434 1.00 0.00 C ATOM 1451 CG GLN A 87 12.008 17.390 3.561 1.00 0.00 C ATOM 1452 CD GLN A 87 12.680 16.611 4.679 1.00 0.00 C ATOM 1453 OE1 GLN A 87 13.626 15.853 4.441 1.00 0.00 O ATOM 1454 NE2 GLN A 87 12.195 16.781 5.898 1.00 0.00 N ATOM 0 H GLN A 87 11.266 16.558 0.880 1.00 0.00 H new ATOM 0 HA GLN A 87 12.009 19.346 1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.483 16.793 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.737 18.391 2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.596 18.317 3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.171 16.812 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.412 17.417 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.604 16.276 6.684 1.00 0.00 H new ATOM 1463 N GLY A 88 14.061 17.236 -0.037 1.00 0.00 N ATOM 1464 CA GLY A 88 14.945 16.978 -1.149 1.00 0.00 C ATOM 1465 C GLY A 88 14.949 15.498 -1.436 1.00 0.00 C ATOM 1466 O GLY A 88 15.988 14.894 -1.698 1.00 0.00 O ATOM 0 H GLY A 88 14.034 16.486 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.616 17.532 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.954 17.320 -0.916 1.00 0.00 H new ATOM 1470 N ASN A 89 13.756 14.921 -1.363 1.00 0.00 N ATOM 1471 CA ASN A 89 13.575 13.478 -1.406 1.00 0.00 C ATOM 1472 C ASN A 89 13.763 12.931 -2.813 1.00 0.00 C ATOM 1473 O ASN A 89 12.855 12.985 -3.636 1.00 0.00 O ATOM 1474 CB ASN A 89 12.180 13.097 -0.884 1.00 0.00 C ATOM 1475 CG ASN A 89 11.912 13.607 0.521 1.00 0.00 C ATOM 1476 OD1 ASN A 89 11.413 14.720 0.708 1.00 0.00 O ATOM 1477 ND2 ASN A 89 12.227 12.793 1.518 1.00 0.00 N ATOM 0 H ASN A 89 12.885 15.444 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 89 14.336 13.034 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.424 13.496 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.077 12.012 -0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.058 13.079 2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.638 11.881 1.321 1.00 0.00 H new ATOM 1484 N ALA A 90 14.957 12.429 -3.083 1.00 0.00 N ATOM 1485 CA ALA A 90 15.237 11.738 -4.330 1.00 0.00 C ATOM 1486 C ALA A 90 16.049 10.484 -4.041 1.00 0.00 C ATOM 1487 O ALA A 90 15.542 9.364 -4.121 1.00 0.00 O ATOM 1488 CB ALA A 90 15.977 12.656 -5.294 1.00 0.00 C ATOM 0 H ALA A 90 15.754 12.488 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 90 14.298 11.449 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.179 12.122 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.364 13.532 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.919 12.972 -4.845 1.00 0.00 H new ATOM 1494 N GLU A 91 17.299 10.686 -3.651 1.00 0.00 N ATOM 1495 CA GLU A 91 18.179 9.591 -3.274 1.00 0.00 C ATOM 1496 C GLU A 91 17.690 8.968 -1.973 1.00 0.00 C ATOM 1497 O GLU A 91 17.617 7.747 -1.836 1.00 0.00 O ATOM 1498 CB GLU A 91 19.605 10.113 -3.108 1.00 0.00 C ATOM 1499 CG GLU A 91 20.115 10.858 -4.329 1.00 0.00 C ATOM 1500 CD GLU A 91 21.339 11.693 -4.030 1.00 0.00 C ATOM 1501 OE1 GLU A 91 21.179 12.810 -3.492 1.00 0.00 O ATOM 1502 OE2 GLU A 91 22.465 11.246 -4.331 1.00 0.00 O ATOM 0 H GLU A 91 17.730 11.608 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 91 18.171 8.830 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.644 10.776 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 91 20.270 9.275 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.352 10.141 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.325 11.503 -4.713 1.00 0.00 H new ATOM 1509 N GLN A 92 17.338 9.832 -1.028 1.00 0.00 N ATOM 1510 CA GLN A 92 16.775 9.406 0.246 1.00 0.00 C ATOM 1511 C GLN A 92 15.435 8.719 0.024 1.00 0.00 C ATOM 1512 O GLN A 92 15.093 7.750 0.701 1.00 0.00 O ATOM 1513 CB GLN A 92 16.571 10.617 1.156 1.00 0.00 C ATOM 1514 CG GLN A 92 17.850 11.372 1.482 1.00 0.00 C ATOM 1515 CD GLN A 92 17.577 12.734 2.094 1.00 0.00 C ATOM 1516 OE1 GLN A 92 16.558 12.944 2.756 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.481 13.672 1.868 1.00 0.00 N ATOM 0 H GLN A 92 17.435 10.843 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 92 17.467 8.707 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.869 11.302 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.111 10.285 2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.452 10.781 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.437 11.496 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.311 13.458 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.349 14.610 2.247 1.00 0.00 H new ATOM 1526 N PHE A 93 14.693 9.226 -0.950 1.00 0.00 N ATOM 1527 CA PHE A 93 13.344 8.758 -1.217 1.00 0.00 C ATOM 1528 C PHE A 93 13.364 7.319 -1.722 1.00 0.00 C ATOM 1529 O PHE A 93 12.647 6.467 -1.201 1.00 0.00 O ATOM 1530 CB PHE A 93 12.676 9.684 -2.237 1.00 0.00 C ATOM 1531 CG PHE A 93 11.203 9.463 -2.403 1.00 0.00 C ATOM 1532 CD1 PHE A 93 10.332 9.702 -1.353 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.689 9.022 -3.610 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.973 9.508 -1.504 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.332 8.828 -3.768 1.00 0.00 C ATOM 1536 CZ PHE A 93 8.472 9.068 -2.715 1.00 0.00 C ATOM 0 H PHE A 93 15.008 9.969 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 93 12.769 8.777 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.844 10.718 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.162 9.551 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 93 10.720 10.044 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.357 8.828 -4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.304 9.699 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.942 8.488 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.410 8.912 -2.837 1.00 0.00 H new ATOM 1546 N ALA A 94 14.215 7.055 -2.710 1.00 0.00 N ATOM 1547 CA ALA A 94 14.321 5.727 -3.313 1.00 0.00 C ATOM 1548 C ALA A 94 14.657 4.664 -2.269 1.00 0.00 C ATOM 1549 O ALA A 94 14.122 3.557 -2.307 1.00 0.00 O ATOM 1550 CB ALA A 94 15.366 5.736 -4.419 1.00 0.00 C ATOM 0 H ALA A 94 14.846 7.748 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 94 13.351 5.474 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.437 4.742 -4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.078 6.455 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.333 6.018 -4.003 1.00 0.00 H new ATOM 1556 N SER A 95 15.533 5.016 -1.336 1.00 0.00 N ATOM 1557 CA SER A 95 15.934 4.109 -0.269 1.00 0.00 C ATOM 1558 C SER A 95 14.722 3.713 0.583 1.00 0.00 C ATOM 1559 O SER A 95 14.546 2.544 0.929 1.00 0.00 O ATOM 1560 CB SER A 95 17.015 4.773 0.596 1.00 0.00 C ATOM 1561 OG SER A 95 17.628 3.849 1.481 1.00 0.00 O ATOM 0 H SER A 95 15.982 5.931 -1.298 1.00 0.00 H new ATOM 0 HA SER A 95 16.346 3.201 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.774 5.216 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.571 5.586 1.171 1.00 0.00 H new ATOM 0 HG SER A 95 18.311 4.309 2.013 1.00 0.00 H new ATOM 1567 N LEU A 96 13.878 4.689 0.897 1.00 0.00 N ATOM 1568 CA LEU A 96 12.683 4.446 1.698 1.00 0.00 C ATOM 1569 C LEU A 96 11.612 3.694 0.907 1.00 0.00 C ATOM 1570 O LEU A 96 10.858 2.903 1.475 1.00 0.00 O ATOM 1571 CB LEU A 96 12.117 5.760 2.244 1.00 0.00 C ATOM 1572 CG LEU A 96 12.696 6.215 3.592 1.00 0.00 C ATOM 1573 CD1 LEU A 96 12.481 5.148 4.654 1.00 0.00 C ATOM 1574 CD2 LEU A 96 14.174 6.548 3.472 1.00 0.00 C ATOM 0 H LEU A 96 13.999 5.660 0.608 1.00 0.00 H new ATOM 0 HA LEU A 96 12.980 3.816 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.292 6.545 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.037 5.656 2.348 1.00 0.00 H new ATOM 0 HG LEU A 96 12.168 7.120 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.898 5.489 5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.413 4.963 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.977 4.227 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.555 6.867 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.720 5.665 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.308 7.351 2.748 1.00 0.00 H new ATOM 1586 N VAL A 97 11.549 3.936 -0.400 1.00 0.00 N ATOM 1587 CA VAL A 97 10.563 3.272 -1.251 1.00 0.00 C ATOM 1588 C VAL A 97 10.775 1.761 -1.239 1.00 0.00 C ATOM 1589 O VAL A 97 9.812 0.992 -1.275 1.00 0.00 O ATOM 1590 CB VAL A 97 10.607 3.785 -2.710 1.00 0.00 C ATOM 1591 CG1 VAL A 97 9.590 3.050 -3.575 1.00 0.00 C ATOM 1592 CG2 VAL A 97 10.350 5.281 -2.763 1.00 0.00 C ATOM 0 H VAL A 97 12.165 4.583 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 97 9.582 3.510 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 97 11.604 3.588 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.640 3.428 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.813 1.983 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.589 3.212 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.386 5.620 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.367 5.496 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.113 5.802 -2.184 1.00 0.00 H new ATOM 1602 N GLN A 98 12.036 1.342 -1.159 1.00 0.00 N ATOM 1603 CA GLN A 98 12.372 -0.079 -1.104 1.00 0.00 C ATOM 1604 C GLN A 98 11.655 -0.753 0.062 1.00 0.00 C ATOM 1605 O GLN A 98 11.195 -1.888 -0.052 1.00 0.00 O ATOM 1606 CB GLN A 98 13.884 -0.274 -0.945 1.00 0.00 C ATOM 1607 CG GLN A 98 14.715 0.335 -2.064 1.00 0.00 C ATOM 1608 CD GLN A 98 14.380 -0.233 -3.428 1.00 0.00 C ATOM 1609 OE1 GLN A 98 13.523 0.290 -4.133 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.053 -1.307 -3.811 1.00 0.00 N ATOM 0 H GLN A 98 12.842 1.966 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 98 12.049 -0.534 -2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.197 0.163 0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.097 -1.342 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.560 1.414 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.772 0.167 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.758 -1.713 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.866 -1.728 -4.721 1.00 0.00 H new ATOM 1619 N GLN A 99 11.538 -0.035 1.174 1.00 0.00 N ATOM 1620 CA GLN A 99 10.891 -0.573 2.363 1.00 0.00 C ATOM 1621 C GLN A 99 9.391 -0.721 2.138 1.00 0.00 C ATOM 1622 O GLN A 99 8.801 -1.729 2.511 1.00 0.00 O ATOM 1623 CB GLN A 99 11.155 0.325 3.573 1.00 0.00 C ATOM 1624 CG GLN A 99 12.624 0.427 3.947 1.00 0.00 C ATOM 1625 CD GLN A 99 13.229 -0.918 4.302 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.212 -1.336 5.460 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.764 -1.606 3.307 1.00 0.00 N ATOM 0 H GLN A 99 11.883 0.920 1.276 1.00 0.00 H new ATOM 0 HA GLN A 99 11.312 -1.558 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.772 1.324 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.597 -0.058 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.178 0.862 3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.734 1.106 4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.758 -1.224 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.183 -2.519 3.485 1.00 0.00 H new ATOM 1636 N HIS A 100 8.786 0.283 1.509 1.00 0.00 N ATOM 1637 CA HIS A 100 7.359 0.250 1.201 1.00 0.00 C ATOM 1638 C HIS A 100 7.073 -0.895 0.233 1.00 0.00 C ATOM 1639 O HIS A 100 6.119 -1.652 0.410 1.00 0.00 O ATOM 1640 CB HIS A 100 6.924 1.590 0.587 1.00 0.00 C ATOM 1641 CG HIS A 100 5.440 1.855 0.612 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.901 3.120 0.591 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.378 1.002 0.633 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.571 3.011 0.604 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.191 1.741 0.628 1.00 0.00 N ATOM 0 H HIS A 100 9.263 1.131 1.202 1.00 0.00 H new ATOM 0 HA HIS A 100 6.794 0.089 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.430 2.396 1.118 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.266 1.626 -0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.443 -0.076 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.891 3.850 0.596 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.237 1.380 0.640 1.00 0.00 H new ATOM 1653 N LEU A 101 7.931 -1.029 -0.771 1.00 0.00 N ATOM 1654 CA LEU A 101 7.779 -2.060 -1.789 1.00 0.00 C ATOM 1655 C LEU A 101 7.886 -3.460 -1.180 1.00 0.00 C ATOM 1656 O LEU A 101 7.046 -4.321 -1.438 1.00 0.00 O ATOM 1657 CB LEU A 101 8.841 -1.878 -2.876 1.00 0.00 C ATOM 1658 CG LEU A 101 8.735 -2.837 -4.063 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.440 -2.603 -4.828 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.939 -2.683 -4.979 1.00 0.00 C ATOM 0 H LEU A 101 8.746 -0.430 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 101 6.787 -1.959 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.782 -0.856 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.825 -1.996 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 101 8.723 -3.858 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.384 -3.295 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.591 -2.768 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.417 -1.578 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.848 -3.372 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.983 -1.660 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.850 -2.906 -4.423 1.00 0.00 H new ATOM 1672 N GLN A 102 8.918 -3.683 -0.371 1.00 0.00 N ATOM 1673 CA GLN A 102 9.111 -4.967 0.292 1.00 0.00 C ATOM 1674 C GLN A 102 7.969 -5.246 1.263 1.00 0.00 C ATOM 1675 O GLN A 102 7.530 -6.386 1.417 1.00 0.00 O ATOM 1676 CB GLN A 102 10.446 -4.979 1.039 1.00 0.00 C ATOM 1677 CG GLN A 102 11.662 -5.087 0.131 1.00 0.00 C ATOM 1678 CD GLN A 102 11.742 -6.425 -0.580 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.214 -6.591 -1.680 1.00 0.00 O ATOM 1680 NE2 GLN A 102 12.402 -7.390 0.045 1.00 0.00 N ATOM 0 H GLN A 102 9.635 -2.989 -0.159 1.00 0.00 H new ATOM 0 HA GLN A 102 9.121 -5.749 -0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.527 -4.068 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.452 -5.815 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.630 -4.288 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.566 -4.939 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.825 -7.211 0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.487 -8.311 -0.385 1.00 0.00 H new ATOM 1689 N ASP A 103 7.485 -4.187 1.895 1.00 0.00 N ATOM 1690 CA ASP A 103 6.408 -4.287 2.868 1.00 0.00 C ATOM 1691 C ASP A 103 5.100 -4.747 2.226 1.00 0.00 C ATOM 1692 O ASP A 103 4.455 -5.660 2.730 1.00 0.00 O ATOM 1693 CB ASP A 103 6.207 -2.939 3.559 1.00 0.00 C ATOM 1694 CG ASP A 103 4.956 -2.887 4.404 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.852 -2.812 3.875 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.018 -2.873 5.634 1.00 0.00 O ATOM 0 H ASP A 103 7.827 -3.237 1.748 1.00 0.00 H new ATOM 0 HA ASP A 103 6.694 -5.038 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.072 -2.727 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.161 -2.154 2.804 1.00 0.00 H new ATOM 1701 N GLU A 104 4.706 -4.117 1.123 1.00 0.00 N ATOM 1702 CA GLU A 104 3.450 -4.471 0.458 1.00 0.00 C ATOM 1703 C GLU A 104 3.528 -5.883 -0.109 1.00 0.00 C ATOM 1704 O GLU A 104 2.531 -6.600 -0.158 1.00 0.00 O ATOM 1705 CB GLU A 104 3.121 -3.480 -0.657 1.00 0.00 C ATOM 1706 CG GLU A 104 3.082 -2.034 -0.199 1.00 0.00 C ATOM 1707 CD GLU A 104 1.812 -1.637 0.536 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.111 -2.505 1.125 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.512 -0.428 0.550 1.00 0.00 O ATOM 0 H GLU A 104 5.230 -3.366 0.673 1.00 0.00 H new ATOM 0 HA GLU A 104 2.654 -4.429 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.862 -3.580 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.155 -3.741 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.936 -1.850 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.200 -1.388 -1.069 1.00 0.00 H new ATOM 1716 N GLN A 105 4.722 -6.279 -0.533 1.00 0.00 N ATOM 1717 CA GLN A 105 4.951 -7.647 -0.976 1.00 0.00 C ATOM 1718 C GLN A 105 4.790 -8.608 0.197 1.00 0.00 C ATOM 1719 O GLN A 105 4.333 -9.740 0.031 1.00 0.00 O ATOM 1720 CB GLN A 105 6.342 -7.794 -1.596 1.00 0.00 C ATOM 1721 CG GLN A 105 6.509 -7.032 -2.903 1.00 0.00 C ATOM 1722 CD GLN A 105 7.937 -7.051 -3.411 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.333 -7.932 -4.173 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.718 -6.070 -2.994 1.00 0.00 N ATOM 0 H GLN A 105 5.543 -5.675 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 105 4.212 -7.891 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.088 -7.443 -0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.542 -8.851 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.853 -7.465 -3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.192 -5.999 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.350 -5.359 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.689 -6.024 -3.304 1.00 0.00 H new ATOM 1733 N ARG A 106 5.162 -8.138 1.383 1.00 0.00 N ATOM 1734 CA ARG A 106 4.979 -8.903 2.607 1.00 0.00 C ATOM 1735 C ARG A 106 3.496 -8.986 2.938 1.00 0.00 C ATOM 1736 O ARG A 106 3.022 -10.000 3.436 1.00 0.00 O ATOM 1737 CB ARG A 106 5.741 -8.251 3.763 1.00 0.00 C ATOM 1738 CG ARG A 106 5.885 -9.145 4.984 1.00 0.00 C ATOM 1739 CD ARG A 106 6.398 -8.361 6.178 1.00 0.00 C ATOM 1740 NE ARG A 106 6.841 -9.228 7.271 1.00 0.00 N ATOM 1741 CZ ARG A 106 6.039 -9.720 8.218 1.00 0.00 C ATOM 1742 NH1 ARG A 106 4.728 -9.510 8.178 1.00 0.00 N ATOM 1743 NH2 ARG A 106 6.551 -10.444 9.201 1.00 0.00 N ATOM 0 H ARG A 106 5.595 -7.225 1.521 1.00 0.00 H new ATOM 0 HA ARG A 106 5.372 -9.909 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.733 -7.964 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.227 -7.335 4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.921 -9.593 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.570 -9.963 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.227 -7.727 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.611 -7.700 6.540 1.00 0.00 H new ATOM 0 HE ARG A 106 7.830 -9.473 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.322 -8.967 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.128 -9.892 8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.555 -10.624 9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.942 -10.822 9.927 1.00 0.00 H new ATOM 1757 N HIS A 107 2.766 -7.912 2.634 1.00 0.00 N ATOM 1758 CA HIS A 107 1.315 -7.886 2.815 1.00 0.00 C ATOM 1759 C HIS A 107 0.670 -8.997 1.990 1.00 0.00 C ATOM 1760 O HIS A 107 -0.256 -9.665 2.444 1.00 0.00 O ATOM 1761 CB HIS A 107 0.727 -6.527 2.398 1.00 0.00 C ATOM 1762 CG HIS A 107 0.979 -5.403 3.367 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.242 -4.228 3.403 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.895 -5.299 4.362 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.726 -3.478 4.408 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.736 -4.076 5.016 1.00 0.00 N ATOM 0 H HIS A 107 3.157 -7.047 2.261 1.00 0.00 H new ATOM 0 HA HIS A 107 1.103 -8.042 3.873 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.141 -6.251 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.349 -6.638 2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.633 -6.047 4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.338 -2.509 4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.284 -3.719 5.799 1.00 0.00 H new ATOM 1773 N VAL A 108 1.182 -9.197 0.779 1.00 0.00 N ATOM 1774 CA VAL A 108 0.714 -10.275 -0.080 1.00 0.00 C ATOM 1775 C VAL A 108 0.972 -11.628 0.583 1.00 0.00 C ATOM 1776 O VAL A 108 0.127 -12.520 0.540 1.00 0.00 O ATOM 1777 CB VAL A 108 1.397 -10.238 -1.466 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.887 -11.365 -2.356 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.180 -8.887 -2.132 1.00 0.00 C ATOM 0 H VAL A 108 1.922 -8.625 0.372 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.357 -10.136 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 108 2.468 -10.383 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.383 -11.316 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.101 -12.325 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.189 -11.261 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.668 -8.879 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.112 -8.712 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.605 -8.101 -1.507 1.00 0.00 H new ATOM 1789 N GLU A 109 2.139 -11.765 1.205 1.00 0.00 N ATOM 1790 CA GLU A 109 2.488 -12.989 1.925 1.00 0.00 C ATOM 1791 C GLU A 109 1.609 -13.164 3.162 1.00 0.00 C ATOM 1792 O GLU A 109 1.226 -14.276 3.513 1.00 0.00 O ATOM 1793 CB GLU A 109 3.958 -12.972 2.336 1.00 0.00 C ATOM 1794 CG GLU A 109 4.916 -12.840 1.168 1.00 0.00 C ATOM 1795 CD GLU A 109 6.360 -12.957 1.597 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.945 -11.942 2.036 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.917 -14.070 1.514 1.00 0.00 O ATOM 0 H GLU A 109 2.860 -11.044 1.226 1.00 0.00 H new ATOM 0 HA GLU A 109 2.317 -13.830 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.124 -12.144 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.185 -13.890 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.695 -13.611 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.761 -11.878 0.680 1.00 0.00 H new ATOM 1804 N GLU A 110 1.297 -12.054 3.814 1.00 0.00 N ATOM 1805 CA GLU A 110 0.432 -12.062 4.985 1.00 0.00 C ATOM 1806 C GLU A 110 -0.978 -12.525 4.611 1.00 0.00 C ATOM 1807 O GLU A 110 -1.681 -13.130 5.424 1.00 0.00 O ATOM 1808 CB GLU A 110 0.413 -10.667 5.623 1.00 0.00 C ATOM 1809 CG GLU A 110 1.759 -10.269 6.222 1.00 0.00 C ATOM 1810 CD GLU A 110 1.859 -8.794 6.576 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.821 -8.156 6.831 1.00 0.00 O ATOM 1812 OE2 GLU A 110 2.993 -8.263 6.616 1.00 0.00 O ATOM 0 H GLU A 110 1.633 -11.128 3.549 1.00 0.00 H new ATOM 0 HA GLU A 110 0.824 -12.769 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.125 -9.933 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.348 -10.640 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.937 -10.862 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.549 -10.518 5.514 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.375 -12.251 3.372 1.00 0.00 N ATOM 1820 CA ILE A 111 -2.673 -12.685 2.859 1.00 0.00 C ATOM 1821 C ILE A 111 -2.598 -14.099 2.267 1.00 0.00 C ATOM 1822 O ILE A 111 -3.201 -15.037 2.792 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.198 -11.714 1.772 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.395 -10.307 2.348 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.500 -12.231 1.168 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.458 -10.227 3.422 1.00 0.00 C ATOM 0 H ILE A 111 -0.814 -11.727 2.700 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.360 -12.688 3.705 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.451 -11.658 0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.448 -9.958 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.659 -9.627 1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.850 -11.533 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.328 -13.207 0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.253 -12.323 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.538 -9.200 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.416 -10.543 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.187 -10.880 4.252 1.00 0.00 H new ATOM 1838 N GLU A 112 -1.835 -14.240 1.187 1.00 0.00 N ATOM 1839 CA GLU A 112 -1.801 -15.470 0.397 1.00 0.00 C ATOM 1840 C GLU A 112 -0.884 -16.528 1.005 1.00 0.00 C ATOM 1841 O GLU A 112 -1.167 -17.724 0.907 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.319 -15.150 -1.020 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.294 -14.319 -1.836 1.00 0.00 C ATOM 1844 CD GLU A 112 -3.438 -15.143 -2.385 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -3.225 -15.859 -3.391 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -4.554 -15.073 -1.836 1.00 0.00 O ATOM 0 H GLU A 112 -1.222 -13.505 0.833 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.813 -15.875 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.370 -14.618 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.127 -16.085 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.693 -13.518 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.762 -13.846 -2.662 1.00 0.00 H new ATOM 1853 N LYS A 113 0.206 -16.075 1.628 1.00 0.00 N ATOM 1854 CA LYS A 113 1.278 -16.954 2.123 1.00 0.00 C ATOM 1855 C LYS A 113 2.063 -17.554 0.952 1.00 0.00 C ATOM 1856 O LYS A 113 3.250 -17.270 0.781 1.00 0.00 O ATOM 1857 CB LYS A 113 0.729 -18.048 3.050 1.00 0.00 C ATOM 1858 CG LYS A 113 0.061 -17.490 4.300 1.00 0.00 C ATOM 1859 CD LYS A 113 -0.494 -18.585 5.196 1.00 0.00 C ATOM 1860 CE LYS A 113 -1.212 -17.985 6.395 1.00 0.00 C ATOM 1861 NZ LYS A 113 -1.853 -19.015 7.255 1.00 0.00 N ATOM 0 H LYS A 113 0.375 -15.085 1.806 1.00 0.00 H new ATOM 0 HA LYS A 113 1.963 -16.348 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.009 -18.655 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.544 -18.709 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.783 -16.896 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.746 -16.818 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.183 -19.211 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.317 -19.229 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.501 -17.412 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.971 -17.285 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.327 -18.552 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.553 -19.546 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.128 -19.669 7.613 1.00 0.00 H new ATOM 1875 N LYS A 114 1.398 -18.370 0.146 1.00 0.00 N ATOM 1876 CA LYS A 114 1.973 -18.860 -1.100 1.00 0.00 C ATOM 1877 C LYS A 114 1.084 -18.460 -2.269 1.00 0.00 C ATOM 1878 O LYS A 114 0.055 -19.085 -2.529 1.00 0.00 O ATOM 1879 CB LYS A 114 2.156 -20.380 -1.088 1.00 0.00 C ATOM 1880 CG LYS A 114 3.267 -20.871 -0.172 1.00 0.00 C ATOM 1881 CD LYS A 114 3.554 -22.344 -0.416 1.00 0.00 C ATOM 1882 CE LYS A 114 4.699 -22.859 0.445 1.00 0.00 C ATOM 1883 NZ LYS A 114 4.329 -22.954 1.883 1.00 0.00 N ATOM 0 H LYS A 114 0.454 -18.708 0.334 1.00 0.00 H new ATOM 0 HA LYS A 114 2.959 -18.408 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.218 -20.844 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.363 -20.717 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.171 -20.286 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.981 -20.719 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.656 -22.926 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.796 -22.495 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.007 -23.841 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.558 -22.197 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.141 -23.309 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.061 -22.013 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.527 -23.606 1.993 1.00 0.00 H new ATOM 1897 N ASN A 115 1.476 -17.407 -2.960 1.00 0.00 N ATOM 1898 CA ASN A 115 0.713 -16.907 -4.094 1.00 0.00 C ATOM 1899 C ASN A 115 1.362 -17.345 -5.395 1.00 0.00 C ATOM 1900 O ASN A 115 0.702 -18.049 -6.187 1.00 0.00 O ATOM 1901 CB ASN A 115 0.598 -15.381 -4.045 1.00 0.00 C ATOM 1902 CG ASN A 115 -0.131 -14.814 -5.251 1.00 0.00 C ATOM 1903 OD1 ASN A 115 0.488 -14.413 -6.234 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -1.454 -14.789 -5.191 1.00 0.00 N ATOM 1905 OXT ASN A 115 2.547 -17.027 -5.599 1.00 0.00 O ATOM 0 H ASN A 115 2.323 -16.877 -2.756 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.292 -17.325 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 115 0.072 -15.088 -3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 115 1.596 -14.946 -3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.993 -14.428 -5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.933 -15.131 -4.358 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.410 -2.454 5.455 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 1.011 0.913 1.278 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.387 -3.051 1.642 1.00 0.00 ZN