USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 HIS : no HE2:sc= -0.611 K(o=-0.61,f=-2.1!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -7.17! C(o=-9.5!,f=-10!) USER MOD Set 2.2: A 81 SER OG : rot -90:sc= -2.3! USER MOD Set 3.1: A 28 LYS NZ :NH3+ 172:sc= -1.42 (180deg=-1.56) USER MOD Set 3.2: A 29 ASN : amide:sc= -2.53! C(o=-4!,f=-12!) USER MOD Set 4.1: A 1 MET CE :methyl -108:sc= 0 (180deg=0) USER MOD Set 4.2: A 48 MET CE :methyl -129:sc= -0.255 (180deg=-2.63!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 67:sc= 1.21 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -5.77! C(o=-5.8!,f=-8.8!) USER MOD Single : A 13 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.595 X(o=-0.6,f=-1!) USER MOD Single : A 20 ASN : amide:sc= -4.94! K(o=-4.9!,f=-1) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -3.92! C(o=-3.9!,f=-10!) USER MOD Single : A 27 GLN : amide:sc= -0.883 K(o=-0.88,f=-0.12) USER MOD Single : A 30 MET CE :methyl 155:sc= -0.545 (180deg=-1.32) USER MOD Single : A 31 ASN : amide:sc= -6.21! C(o=-6.2!,f=-1.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-8.1!) USER MOD Single : A 36 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.68) USER MOD Single : A 38 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.54) USER MOD Single : A 39 ASN : amide:sc= -0.0934 K(o=-0.093,f=-1.7!) USER MOD Single : A 45 HIS : no HD1:sc= -0.715 X(o=-0.71,f=-1) USER MOD Single : A 49 GLN : amide:sc= -4.06! K(o=-4.1!,f=-1.6) USER MOD Single : A 53 SER OG : rot -149:sc= -1.13 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.206 (180deg=-1.35) USER MOD Single : A 58 GLN : amide:sc= -3.92! C(o=-3.9!,f=-7.1!) USER MOD Single : A 60 MET CE :methyl 173:sc= -1.36 (180deg=-1.5) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.04! K(o=-2!,f=-0.86) USER MOD Single : A 66 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.076) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 GLN : amide:sc= -15.1! C(o=-15!,f=-9.5!) USER MOD Single : A 76 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 80 ASN : amide:sc= -0.0407 X(o=-0.041,f=-0.21) USER MOD Single : A 83 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.0066) USER MOD Single : A 84 ASN : amide:sc= -0.584 K(o=-0.58,f=-4.8!) USER MOD Single : A 88 ASN : amide:sc= -4.57! C(o=-4.6!,f=-11!) USER MOD Single : A 94 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.053) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -5.31! C(o=-5.3!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.892 -19.357 -9.442 1.00 0.00 N ATOM 2 CA MET A 1 3.383 -17.950 -9.493 1.00 0.00 C ATOM 3 C MET A 1 2.742 -17.228 -10.680 1.00 0.00 C ATOM 4 O MET A 1 3.355 -17.049 -11.715 1.00 0.00 O ATOM 5 CB MET A 1 4.905 -17.947 -9.655 1.00 0.00 C ATOM 6 CG MET A 1 5.380 -16.534 -9.998 1.00 0.00 C ATOM 7 SD MET A 1 5.887 -16.475 -11.735 1.00 0.00 S ATOM 8 CE MET A 1 5.885 -14.674 -11.911 1.00 0.00 C ATOM 0 H1 MET A 1 3.328 -19.848 -8.635 1.00 0.00 H new ATOM 0 H2 MET A 1 1.858 -19.360 -9.332 1.00 0.00 H new ATOM 0 H3 MET A 1 3.147 -19.846 -10.324 1.00 0.00 H new ATOM 0 HA MET A 1 3.115 -17.438 -8.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.380 -18.288 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.199 -18.642 -10.442 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.581 -15.816 -9.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.214 -16.252 -9.355 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.037 -14.369 -12.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.806 -14.212 -10.927 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.811 -14.354 -12.388 1.00 0.00 H new ATOM 20 N TYR A 2 1.513 -16.810 -10.539 1.00 0.00 N ATOM 21 CA TYR A 2 0.835 -16.099 -11.659 1.00 0.00 C ATOM 22 C TYR A 2 1.648 -14.860 -12.042 1.00 0.00 C ATOM 23 O TYR A 2 2.235 -14.794 -13.104 1.00 0.00 O ATOM 24 CB TYR A 2 -0.568 -15.674 -11.220 1.00 0.00 C ATOM 25 CG TYR A 2 -0.840 -16.192 -9.827 1.00 0.00 C ATOM 26 CD1 TYR A 2 -0.823 -17.570 -9.576 1.00 0.00 C ATOM 27 CD2 TYR A 2 -1.111 -15.293 -8.789 1.00 0.00 C ATOM 28 CE1 TYR A 2 -1.075 -18.048 -8.284 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.364 -15.771 -7.499 1.00 0.00 C ATOM 30 CZ TYR A 2 -1.347 -17.148 -7.245 1.00 0.00 C ATOM 31 OH TYR A 2 -1.595 -17.620 -5.972 1.00 0.00 O ATOM 0 H TYR A 2 0.950 -16.930 -9.697 1.00 0.00 H new ATOM 0 HA TYR A 2 0.759 -16.764 -12.519 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.652 -14.587 -11.238 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.312 -16.063 -11.916 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.616 -18.263 -10.378 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.125 -14.231 -8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.060 -19.110 -8.088 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.573 -15.077 -6.698 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.779 -18.023 -5.608 1.00 0.00 H new ATOM 41 N GLY A 3 1.686 -13.875 -11.185 1.00 0.00 N ATOM 42 CA GLY A 3 2.461 -12.642 -11.499 1.00 0.00 C ATOM 43 C GLY A 3 1.606 -11.412 -11.191 1.00 0.00 C ATOM 44 O GLY A 3 2.112 -10.361 -10.853 1.00 0.00 O ATOM 0 H GLY A 3 1.213 -13.872 -10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.379 -12.617 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.754 -12.641 -12.549 1.00 0.00 H new ATOM 48 N LYS A 4 0.313 -11.534 -11.305 1.00 0.00 N ATOM 49 CA LYS A 4 -0.573 -10.371 -11.021 1.00 0.00 C ATOM 50 C LYS A 4 0.002 -9.560 -9.857 1.00 0.00 C ATOM 51 O LYS A 4 -0.077 -8.348 -9.839 1.00 0.00 O ATOM 52 CB LYS A 4 -1.971 -10.872 -10.658 1.00 0.00 C ATOM 53 CG LYS A 4 -2.385 -11.966 -11.641 1.00 0.00 C ATOM 54 CD LYS A 4 -3.862 -11.799 -12.004 1.00 0.00 C ATOM 55 CE LYS A 4 -4.429 -13.141 -12.469 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.244 -12.937 -13.699 1.00 0.00 N ATOM 0 H LYS A 4 -0.169 -12.389 -11.583 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.634 -9.737 -11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.978 -11.260 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.685 -10.049 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.771 -11.912 -12.540 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.218 -12.948 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.420 -11.436 -11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.972 -11.054 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.618 -13.841 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.042 -13.581 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.630 -13.850 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.026 -12.283 -13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.646 -12.535 -14.449 1.00 0.00 H new ATOM 70 N LEU A 5 0.585 -10.211 -8.886 1.00 0.00 N ATOM 71 CA LEU A 5 1.161 -9.452 -7.740 1.00 0.00 C ATOM 72 C LEU A 5 1.891 -8.227 -8.283 1.00 0.00 C ATOM 73 O LEU A 5 1.580 -7.107 -7.930 1.00 0.00 O ATOM 74 CB LEU A 5 2.151 -10.325 -6.961 1.00 0.00 C ATOM 75 CG LEU A 5 1.457 -11.573 -6.382 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.016 -11.285 -6.075 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.545 -12.733 -7.371 1.00 0.00 C ATOM 0 H LEU A 5 0.686 -11.225 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 5 0.357 -9.151 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.966 -10.630 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.594 -9.744 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 5 1.967 -11.841 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.485 -12.181 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.085 -10.476 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.528 -10.993 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.051 -13.609 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.055 -12.454 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.592 -12.966 -7.566 1.00 0.00 H new ATOM 89 N ASN A 6 2.852 -8.419 -9.146 1.00 0.00 N ATOM 90 CA ASN A 6 3.571 -7.247 -9.702 1.00 0.00 C ATOM 91 C ASN A 6 2.543 -6.152 -9.972 1.00 0.00 C ATOM 92 O ASN A 6 2.794 -4.982 -9.759 1.00 0.00 O ATOM 93 CB ASN A 6 4.272 -7.639 -11.004 1.00 0.00 C ATOM 94 CG ASN A 6 4.223 -9.157 -11.176 1.00 0.00 C ATOM 95 OD1 ASN A 6 4.559 -9.894 -10.269 1.00 0.00 O ATOM 96 ND2 ASN A 6 3.816 -9.662 -12.309 1.00 0.00 N ATOM 0 H ASN A 6 3.165 -9.329 -9.485 1.00 0.00 H new ATOM 0 HA ASN A 6 4.325 -6.893 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.788 -7.151 -11.850 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.307 -7.298 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.780 -10.674 -12.433 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.534 -9.045 -13.070 1.00 0.00 H new ATOM 103 N ASP A 7 1.370 -6.527 -10.409 1.00 0.00 N ATOM 104 CA ASP A 7 0.313 -5.512 -10.657 1.00 0.00 C ATOM 105 C ASP A 7 -0.042 -4.875 -9.315 1.00 0.00 C ATOM 106 O ASP A 7 -0.200 -3.678 -9.203 1.00 0.00 O ATOM 107 CB ASP A 7 -0.925 -6.186 -11.252 1.00 0.00 C ATOM 108 CG ASP A 7 -1.634 -5.214 -12.198 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.191 -4.081 -12.293 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.609 -5.619 -12.810 1.00 0.00 O ATOM 0 H ASP A 7 1.101 -7.492 -10.604 1.00 0.00 H new ATOM 0 HA ASP A 7 0.666 -4.757 -11.359 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.637 -7.088 -11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.602 -6.493 -10.455 1.00 0.00 H new ATOM 115 N LEU A 8 -0.140 -5.677 -8.288 1.00 0.00 N ATOM 116 CA LEU A 8 -0.454 -5.130 -6.940 1.00 0.00 C ATOM 117 C LEU A 8 0.788 -4.413 -6.417 1.00 0.00 C ATOM 118 O LEU A 8 0.728 -3.300 -5.933 1.00 0.00 O ATOM 119 CB LEU A 8 -0.797 -6.280 -5.984 1.00 0.00 C ATOM 120 CG LEU A 8 -2.306 -6.338 -5.737 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.796 -4.994 -5.200 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.024 -6.663 -7.048 1.00 0.00 C ATOM 0 H LEU A 8 -0.016 -6.689 -8.327 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.300 -4.446 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.455 -7.225 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.272 -6.144 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.522 -7.114 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.871 -5.042 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.287 -4.769 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.580 -4.211 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.099 -6.705 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.806 -5.889 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.680 -7.627 -7.422 1.00 0.00 H new ATOM 134 N LEU A 9 1.917 -5.058 -6.516 1.00 0.00 N ATOM 135 CA LEU A 9 3.184 -4.450 -6.037 1.00 0.00 C ATOM 136 C LEU A 9 3.454 -3.153 -6.800 1.00 0.00 C ATOM 137 O LEU A 9 3.502 -2.082 -6.230 1.00 0.00 O ATOM 138 CB LEU A 9 4.331 -5.432 -6.289 1.00 0.00 C ATOM 139 CG LEU A 9 5.578 -4.973 -5.539 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.591 -6.116 -5.491 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.201 -3.775 -6.259 1.00 0.00 C ATOM 0 H LEU A 9 2.014 -5.992 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 9 3.106 -4.231 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.045 -6.431 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.540 -5.495 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 9 5.303 -4.683 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.483 -5.790 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.151 -6.971 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.863 -6.404 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.091 -3.450 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.475 -4.063 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.481 -2.958 -6.296 1.00 0.00 H new ATOM 153 N GLU A 10 3.640 -3.245 -8.088 1.00 0.00 N ATOM 154 CA GLU A 10 3.915 -2.023 -8.890 1.00 0.00 C ATOM 155 C GLU A 10 2.821 -0.981 -8.642 1.00 0.00 C ATOM 156 O GLU A 10 3.098 0.184 -8.436 1.00 0.00 O ATOM 157 CB GLU A 10 3.942 -2.385 -10.377 1.00 0.00 C ATOM 158 CG GLU A 10 5.110 -3.336 -10.650 1.00 0.00 C ATOM 159 CD GLU A 10 5.372 -3.402 -12.156 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.408 -3.414 -12.905 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.531 -3.439 -12.535 1.00 0.00 O ATOM 0 H GLU A 10 3.613 -4.115 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 10 4.879 -1.610 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.002 -2.855 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.045 -1.483 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.003 -2.991 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.881 -4.330 -10.266 1.00 0.00 H new ATOM 168 N ASP A 11 1.582 -1.387 -8.666 1.00 0.00 N ATOM 169 CA ASP A 11 0.475 -0.415 -8.440 1.00 0.00 C ATOM 170 C ASP A 11 0.535 0.119 -7.007 1.00 0.00 C ATOM 171 O ASP A 11 0.067 1.200 -6.723 1.00 0.00 O ATOM 172 CB ASP A 11 -0.870 -1.108 -8.670 1.00 0.00 C ATOM 173 CG ASP A 11 -0.976 -1.543 -10.133 1.00 0.00 C ATOM 174 OD1 ASP A 11 0.051 -1.852 -10.715 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.083 -1.559 -10.646 1.00 0.00 O ATOM 0 H ASP A 11 1.288 -2.349 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 11 0.581 0.416 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.962 -1.974 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.687 -0.431 -8.421 1.00 0.00 H new ATOM 180 N LEU A 12 1.103 -0.630 -6.101 1.00 0.00 N ATOM 181 CA LEU A 12 1.185 -0.156 -4.689 1.00 0.00 C ATOM 182 C LEU A 12 2.347 0.831 -4.546 1.00 0.00 C ATOM 183 O LEU A 12 2.183 1.926 -4.045 1.00 0.00 O ATOM 184 CB LEU A 12 1.413 -1.359 -3.764 1.00 0.00 C ATOM 185 CG LEU A 12 1.795 -0.879 -2.359 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.650 -0.062 -1.761 1.00 0.00 C ATOM 187 CD2 LEU A 12 2.061 -2.091 -1.466 1.00 0.00 C ATOM 0 H LEU A 12 1.513 -1.547 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 12 0.255 0.343 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.509 -1.967 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.203 -1.993 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 12 2.689 -0.259 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.927 0.276 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.450 0.802 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.245 -0.681 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.333 -1.753 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.163 -2.706 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.877 -2.679 -1.885 1.00 0.00 H new ATOM 199 N GLN A 13 3.520 0.452 -4.975 1.00 0.00 N ATOM 200 CA GLN A 13 4.688 1.371 -4.852 1.00 0.00 C ATOM 201 C GLN A 13 4.420 2.652 -5.646 1.00 0.00 C ATOM 202 O GLN A 13 4.956 3.701 -5.347 1.00 0.00 O ATOM 203 CB GLN A 13 5.947 0.673 -5.382 1.00 0.00 C ATOM 204 CG GLN A 13 6.169 1.029 -6.854 1.00 0.00 C ATOM 205 CD GLN A 13 7.317 0.184 -7.412 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.274 -0.244 -8.548 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.347 -0.076 -6.654 1.00 0.00 N ATOM 0 H GLN A 13 3.720 -0.451 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 13 4.840 1.630 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.813 0.974 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.846 -0.407 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.258 0.848 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.402 2.089 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.382 0.284 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.117 -0.639 -7.015 1.00 0.00 H new ATOM 216 N GLU A 14 3.587 2.582 -6.648 1.00 0.00 N ATOM 217 CA GLU A 14 3.283 3.805 -7.444 1.00 0.00 C ATOM 218 C GLU A 14 2.496 4.780 -6.570 1.00 0.00 C ATOM 219 O GLU A 14 2.954 5.862 -6.265 1.00 0.00 O ATOM 220 CB GLU A 14 2.448 3.429 -8.669 1.00 0.00 C ATOM 221 CG GLU A 14 3.312 2.647 -9.659 1.00 0.00 C ATOM 222 CD GLU A 14 3.607 3.518 -10.882 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.673 4.100 -11.409 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.762 3.589 -11.270 1.00 0.00 O ATOM 0 H GLU A 14 3.105 1.735 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 14 4.212 4.269 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.590 2.829 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.056 4.328 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.244 2.343 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.798 1.735 -9.964 1.00 0.00 H new ATOM 231 N VAL A 15 1.319 4.399 -6.152 1.00 0.00 N ATOM 232 CA VAL A 15 0.517 5.302 -5.285 1.00 0.00 C ATOM 233 C VAL A 15 1.444 5.882 -4.216 1.00 0.00 C ATOM 234 O VAL A 15 1.290 7.007 -3.786 1.00 0.00 O ATOM 235 CB VAL A 15 -0.625 4.500 -4.639 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.661 3.099 -5.246 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.414 4.383 -3.124 1.00 0.00 C ATOM 0 H VAL A 15 0.882 3.505 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 15 0.080 6.114 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.566 5.018 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.469 2.526 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.828 3.172 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.289 2.597 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.233 3.812 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.530 3.875 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.389 5.379 -2.682 1.00 0.00 H new ATOM 247 N LEU A 16 2.417 5.118 -3.800 1.00 0.00 N ATOM 248 CA LEU A 16 3.371 5.615 -2.774 1.00 0.00 C ATOM 249 C LEU A 16 4.278 6.664 -3.421 1.00 0.00 C ATOM 250 O LEU A 16 4.696 7.613 -2.788 1.00 0.00 O ATOM 251 CB LEU A 16 4.211 4.441 -2.254 1.00 0.00 C ATOM 252 CG LEU A 16 5.332 4.947 -1.338 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.753 5.355 0.019 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.354 3.826 -1.133 1.00 0.00 C ATOM 0 H LEU A 16 2.591 4.168 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 16 2.833 6.062 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.574 3.744 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.639 3.892 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 16 5.812 5.811 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.555 5.713 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.019 6.149 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.272 4.494 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.155 4.178 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.865 2.967 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.771 3.534 -2.096 1.00 0.00 H new ATOM 266 N LYS A 17 4.580 6.503 -4.682 1.00 0.00 N ATOM 267 CA LYS A 17 5.452 7.495 -5.371 1.00 0.00 C ATOM 268 C LYS A 17 4.623 8.733 -5.715 1.00 0.00 C ATOM 269 O LYS A 17 5.045 9.853 -5.509 1.00 0.00 O ATOM 270 CB LYS A 17 6.018 6.883 -6.655 1.00 0.00 C ATOM 271 CG LYS A 17 6.904 7.912 -7.362 1.00 0.00 C ATOM 272 CD LYS A 17 8.121 7.209 -7.970 1.00 0.00 C ATOM 273 CE LYS A 17 7.678 6.376 -9.174 1.00 0.00 C ATOM 274 NZ LYS A 17 8.472 5.116 -9.226 1.00 0.00 N ATOM 0 H LYS A 17 4.260 5.728 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 17 6.277 7.774 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.596 5.989 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.205 6.574 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.337 8.420 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.228 8.675 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.864 7.945 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.595 6.569 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.615 6.146 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.817 6.944 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.171 4.549 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.482 5.346 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.318 4.572 -8.353 1.00 0.00 H new ATOM 288 N HIS A 18 3.439 8.537 -6.227 1.00 0.00 N ATOM 289 CA HIS A 18 2.574 9.698 -6.575 1.00 0.00 C ATOM 290 C HIS A 18 2.041 10.321 -5.283 1.00 0.00 C ATOM 291 O HIS A 18 1.303 11.286 -5.303 1.00 0.00 O ATOM 292 CB HIS A 18 1.400 9.222 -7.436 1.00 0.00 C ATOM 293 CG HIS A 18 1.449 9.891 -8.784 1.00 0.00 C ATOM 294 ND1 HIS A 18 2.101 11.099 -8.992 1.00 0.00 N ATOM 295 CD2 HIS A 18 0.921 9.536 -10.002 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.948 11.425 -10.289 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.238 10.507 -10.944 1.00 0.00 N ATOM 0 H HIS A 18 3.033 7.621 -6.419 1.00 0.00 H new ATOM 0 HA HIS A 18 3.151 10.436 -7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.441 8.139 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.457 9.452 -6.940 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.349 8.641 -10.197 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.350 12.319 -10.742 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.981 10.515 -11.931 1.00 0.00 H new ATOM 306 N VAL A 19 2.406 9.767 -4.158 1.00 0.00 N ATOM 307 CA VAL A 19 1.922 10.314 -2.861 1.00 0.00 C ATOM 308 C VAL A 19 3.047 11.110 -2.192 1.00 0.00 C ATOM 309 O VAL A 19 2.827 12.171 -1.644 1.00 0.00 O ATOM 310 CB VAL A 19 1.496 9.153 -1.956 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.701 9.534 -0.491 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.018 8.841 -2.195 1.00 0.00 C ATOM 0 H VAL A 19 3.021 8.956 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 19 1.071 10.973 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 19 2.101 8.276 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.396 8.704 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.754 9.758 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.100 10.412 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.288 8.015 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.582 9.722 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.131 8.563 -3.238 1.00 0.00 H new ATOM 322 N ASN A 20 4.249 10.607 -2.232 1.00 0.00 N ATOM 323 CA ASN A 20 5.383 11.337 -1.598 1.00 0.00 C ATOM 324 C ASN A 20 5.513 12.724 -2.229 1.00 0.00 C ATOM 325 O ASN A 20 6.106 13.621 -1.663 1.00 0.00 O ATOM 326 CB ASN A 20 6.679 10.552 -1.817 1.00 0.00 C ATOM 327 CG ASN A 20 6.569 9.185 -1.142 1.00 0.00 C ATOM 328 OD1 ASN A 20 7.527 8.438 -1.096 1.00 0.00 O ATOM 329 ND2 ASN A 20 5.434 8.821 -0.613 1.00 0.00 N ATOM 0 H ASN A 20 4.496 9.722 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 20 5.197 11.441 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.866 10.428 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.525 11.104 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.351 7.910 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.630 9.447 -0.651 1.00 0.00 H new ATOM 336 N GLN A 21 4.966 12.908 -3.400 1.00 0.00 N ATOM 337 CA GLN A 21 5.059 14.237 -4.069 1.00 0.00 C ATOM 338 C GLN A 21 3.822 15.071 -3.726 1.00 0.00 C ATOM 339 O GLN A 21 3.818 16.278 -3.862 1.00 0.00 O ATOM 340 CB GLN A 21 5.135 14.035 -5.585 1.00 0.00 C ATOM 341 CG GLN A 21 6.375 14.742 -6.133 1.00 0.00 C ATOM 342 CD GLN A 21 6.284 14.816 -7.659 1.00 0.00 C ATOM 343 OE1 GLN A 21 6.697 13.904 -8.348 1.00 0.00 O ATOM 344 NE2 GLN A 21 5.760 15.872 -8.218 1.00 0.00 N ATOM 0 H GLN A 21 4.458 12.194 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 21 5.952 14.758 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.177 12.971 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.238 14.431 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.451 15.745 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.275 14.203 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.414 16.637 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.697 15.933 -9.234 1.00 0.00 H new ATOM 353 N HIS A 22 2.773 14.437 -3.282 1.00 0.00 N ATOM 354 CA HIS A 22 1.536 15.191 -2.932 1.00 0.00 C ATOM 355 C HIS A 22 1.207 14.979 -1.456 1.00 0.00 C ATOM 356 O HIS A 22 0.057 14.907 -1.074 1.00 0.00 O ATOM 357 CB HIS A 22 0.373 14.686 -3.787 1.00 0.00 C ATOM 358 CG HIS A 22 0.349 15.432 -5.092 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.047 16.785 -5.164 1.00 0.00 N ATOM 360 CD2 HIS A 22 0.577 15.028 -6.384 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.101 17.143 -6.460 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.420 16.110 -7.242 1.00 0.00 N ATOM 0 H HIS A 22 2.718 13.428 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 22 1.695 16.253 -3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.479 13.617 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.569 14.827 -3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.838 14.025 -6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.090 18.142 -6.822 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.526 16.114 -8.256 1.00 0.00 H new ATOM 371 N TRP A 23 2.203 14.879 -0.619 1.00 0.00 N ATOM 372 CA TRP A 23 1.927 14.674 0.826 1.00 0.00 C ATOM 373 C TRP A 23 1.656 16.018 1.487 1.00 0.00 C ATOM 374 O TRP A 23 2.314 17.004 1.216 1.00 0.00 O ATOM 375 CB TRP A 23 3.124 14.023 1.507 1.00 0.00 C ATOM 376 CG TRP A 23 2.677 13.436 2.805 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.439 14.132 3.939 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.402 12.048 3.113 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.035 13.247 4.926 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.000 11.950 4.462 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.466 10.879 2.355 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.672 10.722 5.038 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.138 9.639 2.923 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.741 9.561 4.266 1.00 0.00 C ATOM 0 H TRP A 23 3.189 14.930 -0.873 1.00 0.00 H new ATOM 0 HA TRP A 23 1.058 14.024 0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.547 13.248 0.868 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.909 14.760 1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.546 15.200 4.056 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.793 13.522 5.878 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.771 10.929 1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.367 10.670 6.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.191 8.742 2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.489 8.605 4.702 1.00 0.00 H new ATOM 395 N GLN A 24 0.695 16.064 2.358 1.00 0.00 N ATOM 396 CA GLN A 24 0.383 17.349 3.047 1.00 0.00 C ATOM 397 C GLN A 24 -0.240 17.065 4.414 1.00 0.00 C ATOM 398 O GLN A 24 -0.957 16.102 4.593 1.00 0.00 O ATOM 399 CB GLN A 24 -0.591 18.164 2.196 1.00 0.00 C ATOM 400 CG GLN A 24 -0.121 19.619 2.146 1.00 0.00 C ATOM 401 CD GLN A 24 -1.161 20.471 1.417 1.00 0.00 C ATOM 402 OE1 GLN A 24 -2.121 20.921 2.011 1.00 0.00 O ATOM 403 NE2 GLN A 24 -1.009 20.713 0.143 1.00 0.00 N ATOM 0 H GLN A 24 0.110 15.272 2.626 1.00 0.00 H new ATOM 0 HA GLN A 24 1.304 17.916 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.644 17.752 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.595 18.108 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.030 19.998 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.840 19.684 1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.203 20.335 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.696 21.280 -0.354 1.00 0.00 H new ATOM 412 N GLY A 25 0.021 17.905 5.380 1.00 0.00 N ATOM 413 CA GLY A 25 -0.564 17.689 6.733 1.00 0.00 C ATOM 414 C GLY A 25 0.430 16.933 7.615 1.00 0.00 C ATOM 415 O GLY A 25 0.057 16.294 8.578 1.00 0.00 O ATOM 0 H GLY A 25 0.614 18.730 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.812 18.648 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.493 17.125 6.651 1.00 0.00 H new ATOM 419 N GLY A 26 1.694 17.000 7.300 1.00 0.00 N ATOM 420 CA GLY A 26 2.703 16.283 8.133 1.00 0.00 C ATOM 421 C GLY A 26 3.878 15.848 7.257 1.00 0.00 C ATOM 422 O GLY A 26 4.062 14.678 6.985 1.00 0.00 O ATOM 0 H GLY A 26 2.072 17.517 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.055 16.933 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.247 15.413 8.605 1.00 0.00 H new ATOM 426 N GLN A 27 4.677 16.779 6.817 1.00 0.00 N ATOM 427 CA GLN A 27 5.841 16.413 5.964 1.00 0.00 C ATOM 428 C GLN A 27 6.730 15.431 6.726 1.00 0.00 C ATOM 429 O GLN A 27 7.721 14.946 6.215 1.00 0.00 O ATOM 430 CB GLN A 27 6.639 17.673 5.623 1.00 0.00 C ATOM 431 CG GLN A 27 7.693 17.341 4.565 1.00 0.00 C ATOM 432 CD GLN A 27 7.833 18.520 3.600 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.235 18.349 2.468 1.00 0.00 O ATOM 434 NE2 GLN A 27 7.515 19.719 4.007 1.00 0.00 N ATOM 0 H GLN A 27 4.575 17.775 7.011 1.00 0.00 H new ATOM 0 HA GLN A 27 5.492 15.949 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.970 18.450 5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.120 18.065 6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.650 17.132 5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.406 16.442 4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.177 19.862 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.604 20.513 3.373 1.00 0.00 H new ATOM 443 N LYS A 28 6.381 15.130 7.948 1.00 0.00 N ATOM 444 CA LYS A 28 7.202 14.176 8.746 1.00 0.00 C ATOM 445 C LYS A 28 6.695 12.751 8.518 1.00 0.00 C ATOM 446 O LYS A 28 7.413 11.789 8.706 1.00 0.00 O ATOM 447 CB LYS A 28 7.092 14.525 10.234 1.00 0.00 C ATOM 448 CG LYS A 28 5.717 15.135 10.518 1.00 0.00 C ATOM 449 CD LYS A 28 5.571 15.388 12.022 1.00 0.00 C ATOM 450 CE LYS A 28 4.289 16.181 12.285 1.00 0.00 C ATOM 451 NZ LYS A 28 3.192 15.659 11.421 1.00 0.00 N ATOM 0 H LYS A 28 5.562 15.504 8.428 1.00 0.00 H new ATOM 0 HA LYS A 28 8.244 14.246 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.236 13.630 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.877 15.228 10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.601 16.069 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.931 14.463 10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.542 14.440 12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.435 15.939 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.008 16.100 13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.455 17.239 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.293 16.104 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.399 15.880 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.118 14.628 11.538 1.00 0.00 H new ATOM 465 N ASN A 29 5.462 12.605 8.111 1.00 0.00 N ATOM 466 CA ASN A 29 4.915 11.240 7.871 1.00 0.00 C ATOM 467 C ASN A 29 5.447 10.704 6.540 1.00 0.00 C ATOM 468 O ASN A 29 5.810 9.550 6.425 1.00 0.00 O ATOM 469 CB ASN A 29 3.388 11.300 7.821 1.00 0.00 C ATOM 470 CG ASN A 29 2.864 12.016 9.067 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.457 12.971 9.528 1.00 0.00 O ATOM 472 ND2 ASN A 29 1.767 11.593 9.635 1.00 0.00 N ATOM 0 H ASN A 29 4.812 13.371 7.935 1.00 0.00 H new ATOM 0 HA ASN A 29 5.225 10.579 8.681 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.063 11.826 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.976 10.293 7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.408 12.064 10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.269 10.791 9.248 1.00 0.00 H new ATOM 479 N MET A 30 5.494 11.532 5.532 1.00 0.00 N ATOM 480 CA MET A 30 6.000 11.068 4.209 1.00 0.00 C ATOM 481 C MET A 30 7.156 10.088 4.419 1.00 0.00 C ATOM 482 O MET A 30 7.373 9.191 3.629 1.00 0.00 O ATOM 483 CB MET A 30 6.490 12.270 3.401 1.00 0.00 C ATOM 484 CG MET A 30 7.198 11.782 2.136 1.00 0.00 C ATOM 485 SD MET A 30 7.009 13.016 0.825 1.00 0.00 S ATOM 486 CE MET A 30 8.682 12.885 0.148 1.00 0.00 C ATOM 0 H MET A 30 5.204 12.509 5.567 1.00 0.00 H new ATOM 0 HA MET A 30 5.196 10.569 3.667 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.649 12.910 3.135 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.171 12.872 4.002 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.255 11.612 2.341 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.778 10.828 1.816 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.677 13.197 -0.896 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.355 13.527 0.715 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.022 11.852 0.217 1.00 0.00 H new ATOM 496 N ASN A 31 7.898 10.249 5.480 1.00 0.00 N ATOM 497 CA ASN A 31 9.038 9.325 5.739 1.00 0.00 C ATOM 498 C ASN A 31 8.553 8.144 6.581 1.00 0.00 C ATOM 499 O ASN A 31 8.530 7.016 6.132 1.00 0.00 O ATOM 500 CB ASN A 31 10.137 10.072 6.498 1.00 0.00 C ATOM 501 CG ASN A 31 10.428 11.401 5.798 1.00 0.00 C ATOM 502 OD1 ASN A 31 11.289 12.147 6.220 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.743 11.731 4.737 1.00 0.00 N ATOM 0 H ASN A 31 7.764 10.980 6.179 1.00 0.00 H new ATOM 0 HA ASN A 31 9.433 8.960 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.825 10.251 7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.042 9.465 6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.931 12.614 4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.020 11.105 4.382 1.00 0.00 H new ATOM 510 N LYS A 32 8.162 8.395 7.800 1.00 0.00 N ATOM 511 CA LYS A 32 7.678 7.289 8.672 1.00 0.00 C ATOM 512 C LYS A 32 6.763 6.364 7.865 1.00 0.00 C ATOM 513 O LYS A 32 6.759 5.163 8.051 1.00 0.00 O ATOM 514 CB LYS A 32 6.901 7.874 9.853 1.00 0.00 C ATOM 515 CG LYS A 32 7.886 8.393 10.902 1.00 0.00 C ATOM 516 CD LYS A 32 7.172 9.372 11.838 1.00 0.00 C ATOM 517 CE LYS A 32 6.393 8.591 12.897 1.00 0.00 C ATOM 518 NZ LYS A 32 7.035 8.784 14.228 1.00 0.00 N ATOM 0 H LYS A 32 8.157 9.320 8.230 1.00 0.00 H new ATOM 0 HA LYS A 32 8.530 6.720 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.255 8.683 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.255 7.113 10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.296 7.560 11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.726 8.888 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.898 10.029 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.494 10.008 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.358 8.932 12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.372 7.532 12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.506 8.253 14.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.015 8.439 14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.032 9.795 14.471 1.00 0.00 H new ATOM 532 N VAL A 33 5.990 6.912 6.968 1.00 0.00 N ATOM 533 CA VAL A 33 5.078 6.063 6.150 1.00 0.00 C ATOM 534 C VAL A 33 5.895 5.308 5.098 1.00 0.00 C ATOM 535 O VAL A 33 5.635 4.157 4.805 1.00 0.00 O ATOM 536 CB VAL A 33 4.043 6.946 5.453 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.384 7.867 6.480 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.737 7.793 4.381 1.00 0.00 C ATOM 0 H VAL A 33 5.950 7.911 6.766 1.00 0.00 H new ATOM 0 HA VAL A 33 4.568 5.350 6.798 1.00 0.00 H new ATOM 0 HB VAL A 33 3.283 6.318 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.646 8.497 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.892 7.266 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.143 8.496 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.001 8.424 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.496 8.421 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.209 7.138 3.649 1.00 0.00 H new ATOM 548 N ASP A 34 6.880 5.946 4.530 1.00 0.00 N ATOM 549 CA ASP A 34 7.713 5.265 3.499 1.00 0.00 C ATOM 550 C ASP A 34 8.226 3.937 4.056 1.00 0.00 C ATOM 551 O ASP A 34 8.443 2.989 3.327 1.00 0.00 O ATOM 552 CB ASP A 34 8.899 6.158 3.130 1.00 0.00 C ATOM 553 CG ASP A 34 9.875 5.375 2.249 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.442 4.425 1.619 1.00 0.00 O ATOM 555 OD2 ASP A 34 11.039 5.740 2.219 1.00 0.00 O ATOM 0 H ASP A 34 7.145 6.910 4.735 1.00 0.00 H new ATOM 0 HA ASP A 34 7.111 5.077 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.549 7.046 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.404 6.502 4.033 1.00 0.00 H new ATOM 560 N HIS A 35 8.421 3.858 5.344 1.00 0.00 N ATOM 561 CA HIS A 35 8.918 2.589 5.944 1.00 0.00 C ATOM 562 C HIS A 35 7.744 1.628 6.140 1.00 0.00 C ATOM 563 O HIS A 35 7.907 0.423 6.134 1.00 0.00 O ATOM 564 CB HIS A 35 9.566 2.881 7.300 1.00 0.00 C ATOM 565 CG HIS A 35 9.811 1.587 8.025 1.00 0.00 C ATOM 566 ND1 HIS A 35 8.782 0.712 8.345 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.962 1.001 8.495 1.00 0.00 C ATOM 568 CE1 HIS A 35 9.328 -0.342 8.979 1.00 0.00 C ATOM 569 NE2 HIS A 35 10.651 -0.214 9.095 1.00 0.00 N ATOM 0 H HIS A 35 8.258 4.617 6.006 1.00 0.00 H new ATOM 0 HA HIS A 35 9.655 2.138 5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.506 3.415 7.159 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.918 3.526 7.894 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.954 1.419 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.765 -1.187 9.348 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.298 -0.870 9.532 1.00 0.00 H new ATOM 578 N HIS A 36 6.562 2.150 6.315 1.00 0.00 N ATOM 579 CA HIS A 36 5.377 1.268 6.513 1.00 0.00 C ATOM 580 C HIS A 36 5.112 0.475 5.232 1.00 0.00 C ATOM 581 O HIS A 36 4.893 -0.719 5.265 1.00 0.00 O ATOM 582 CB HIS A 36 4.153 2.123 6.841 1.00 0.00 C ATOM 583 CG HIS A 36 4.041 2.284 8.331 1.00 0.00 C ATOM 584 ND1 HIS A 36 5.031 1.844 9.200 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.064 2.834 9.124 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.631 2.134 10.451 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.441 2.738 10.458 1.00 0.00 N ATOM 0 H HIS A 36 6.365 3.151 6.330 1.00 0.00 H new ATOM 0 HA HIS A 36 5.572 0.580 7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.239 3.099 6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.252 1.654 6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.145 3.273 8.766 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.202 1.906 11.339 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.918 3.061 11.272 1.00 0.00 H new ATOM 596 N LEU A 37 5.128 1.131 4.105 1.00 0.00 N ATOM 597 CA LEU A 37 4.876 0.417 2.823 1.00 0.00 C ATOM 598 C LEU A 37 6.134 -0.349 2.408 1.00 0.00 C ATOM 599 O LEU A 37 6.092 -1.537 2.161 1.00 0.00 O ATOM 600 CB LEU A 37 4.517 1.432 1.737 1.00 0.00 C ATOM 601 CG LEU A 37 3.011 1.680 1.744 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.740 3.137 1.386 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.339 0.780 0.709 1.00 0.00 C ATOM 0 H LEU A 37 5.305 2.132 4.017 1.00 0.00 H new ATOM 0 HA LEU A 37 4.051 -0.284 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.050 2.367 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.830 1.061 0.761 1.00 0.00 H new ATOM 0 HG LEU A 37 2.613 1.460 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.665 3.319 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.220 3.787 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.140 3.349 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.264 0.958 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.738 1.003 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.535 -0.264 0.953 1.00 0.00 H new ATOM 615 N GLN A 38 7.252 0.321 2.329 1.00 0.00 N ATOM 616 CA GLN A 38 8.507 -0.375 1.929 1.00 0.00 C ATOM 617 C GLN A 38 8.508 -1.784 2.521 1.00 0.00 C ATOM 618 O GLN A 38 8.828 -2.749 1.854 1.00 0.00 O ATOM 619 CB GLN A 38 9.714 0.406 2.453 1.00 0.00 C ATOM 620 CG GLN A 38 10.103 1.480 1.436 1.00 0.00 C ATOM 621 CD GLN A 38 11.351 2.220 1.922 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.384 2.178 1.284 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.298 2.903 3.032 1.00 0.00 N ATOM 0 H GLN A 38 7.350 1.317 2.524 1.00 0.00 H new ATOM 0 HA GLN A 38 8.565 -0.436 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.475 0.866 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.552 -0.270 2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.294 1.023 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.281 2.183 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.431 2.939 3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.124 3.402 3.364 1.00 0.00 H new ATOM 632 N ASN A 39 8.142 -1.915 3.768 1.00 0.00 N ATOM 633 CA ASN A 39 8.111 -3.264 4.394 1.00 0.00 C ATOM 634 C ASN A 39 6.985 -4.080 3.758 1.00 0.00 C ATOM 635 O ASN A 39 7.087 -5.281 3.596 1.00 0.00 O ATOM 636 CB ASN A 39 7.857 -3.128 5.897 1.00 0.00 C ATOM 637 CG ASN A 39 8.549 -4.274 6.638 1.00 0.00 C ATOM 638 OD1 ASN A 39 8.959 -5.244 6.033 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.696 -4.204 7.934 1.00 0.00 N ATOM 0 H ASN A 39 7.864 -1.146 4.378 1.00 0.00 H new ATOM 0 HA ASN A 39 9.066 -3.765 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.234 -2.170 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.786 -3.145 6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.155 -4.964 8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.352 -3.390 8.443 1.00 0.00 H new ATOM 646 N VAL A 40 5.911 -3.434 3.387 1.00 0.00 N ATOM 647 CA VAL A 40 4.780 -4.168 2.754 1.00 0.00 C ATOM 648 C VAL A 40 5.137 -4.484 1.300 1.00 0.00 C ATOM 649 O VAL A 40 5.244 -5.632 0.917 1.00 0.00 O ATOM 650 CB VAL A 40 3.515 -3.309 2.804 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.310 -4.152 2.378 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.300 -2.810 4.234 1.00 0.00 C ATOM 0 H VAL A 40 5.770 -2.430 3.496 1.00 0.00 H new ATOM 0 HA VAL A 40 4.598 -5.097 3.294 1.00 0.00 H new ATOM 0 HB VAL A 40 3.624 -2.460 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.408 -3.541 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.462 -4.517 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.201 -4.999 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.399 -2.197 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.189 -3.663 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.158 -2.214 4.544 1.00 0.00 H new ATOM 662 N ILE A 41 5.329 -3.478 0.486 1.00 0.00 N ATOM 663 CA ILE A 41 5.687 -3.738 -0.938 1.00 0.00 C ATOM 664 C ILE A 41 6.587 -4.972 -1.014 1.00 0.00 C ATOM 665 O ILE A 41 6.530 -5.738 -1.956 1.00 0.00 O ATOM 666 CB ILE A 41 6.436 -2.534 -1.509 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.631 -1.259 -1.238 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.611 -2.725 -3.017 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.892 -0.237 -2.346 1.00 0.00 C ATOM 0 H ILE A 41 5.254 -2.494 0.745 1.00 0.00 H new ATOM 0 HA ILE A 41 4.778 -3.906 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 41 7.414 -2.447 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.567 -1.493 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.910 -0.840 -0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.145 -1.870 -3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.181 -3.635 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.632 -2.806 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.317 0.668 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.954 0.006 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.591 -0.656 -3.306 1.00 0.00 H new ATOM 681 N GLU A 42 7.415 -5.174 -0.025 1.00 0.00 N ATOM 682 CA GLU A 42 8.316 -6.360 -0.034 1.00 0.00 C ATOM 683 C GLU A 42 7.484 -7.627 0.175 1.00 0.00 C ATOM 684 O GLU A 42 7.759 -8.663 -0.396 1.00 0.00 O ATOM 685 CB GLU A 42 9.344 -6.231 1.092 1.00 0.00 C ATOM 686 CG GLU A 42 10.684 -6.809 0.629 1.00 0.00 C ATOM 687 CD GLU A 42 11.292 -5.897 -0.438 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.000 -4.713 -0.414 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.040 -6.399 -1.260 1.00 0.00 O ATOM 0 H GLU A 42 7.506 -4.567 0.790 1.00 0.00 H new ATOM 0 HA GLU A 42 8.835 -6.417 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.464 -5.184 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.995 -6.759 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.365 -6.900 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.540 -7.812 0.226 1.00 0.00 H new ATOM 696 N ASP A 43 6.465 -7.553 0.989 1.00 0.00 N ATOM 697 CA ASP A 43 5.617 -8.755 1.229 1.00 0.00 C ATOM 698 C ASP A 43 4.992 -9.202 -0.093 1.00 0.00 C ATOM 699 O ASP A 43 5.129 -10.337 -0.504 1.00 0.00 O ATOM 700 CB ASP A 43 4.510 -8.409 2.229 1.00 0.00 C ATOM 701 CG ASP A 43 3.691 -9.664 2.538 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.139 -10.232 1.611 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.630 -10.035 3.699 1.00 0.00 O ATOM 0 H ASP A 43 6.184 -6.714 1.497 1.00 0.00 H new ATOM 0 HA ASP A 43 6.229 -9.560 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.945 -8.011 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.864 -7.632 1.819 1.00 0.00 H new ATOM 708 N ILE A 44 4.311 -8.314 -0.765 1.00 0.00 N ATOM 709 CA ILE A 44 3.683 -8.682 -2.065 1.00 0.00 C ATOM 710 C ILE A 44 4.727 -9.349 -2.955 1.00 0.00 C ATOM 711 O ILE A 44 4.529 -10.440 -3.450 1.00 0.00 O ATOM 712 CB ILE A 44 3.175 -7.420 -2.754 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.132 -6.736 -1.868 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.542 -7.791 -4.097 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.541 -5.286 -1.610 1.00 0.00 C ATOM 0 H ILE A 44 4.163 -7.349 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 44 2.853 -9.367 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 44 4.009 -6.738 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.155 -6.767 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.038 -7.270 -0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.179 -6.889 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.287 -8.275 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.709 -8.474 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.794 -4.804 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.509 -5.265 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.612 -4.754 -2.559 1.00 0.00 H new ATOM 727 N HIS A 45 5.841 -8.704 -3.158 1.00 0.00 N ATOM 728 CA HIS A 45 6.899 -9.309 -4.009 1.00 0.00 C ATOM 729 C HIS A 45 7.179 -10.719 -3.495 1.00 0.00 C ATOM 730 O HIS A 45 7.535 -11.608 -4.242 1.00 0.00 O ATOM 731 CB HIS A 45 8.172 -8.465 -3.917 1.00 0.00 C ATOM 732 CG HIS A 45 8.822 -8.387 -5.271 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.603 -9.342 -6.255 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.691 -7.475 -5.820 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.326 -8.986 -7.333 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.006 -7.858 -7.119 1.00 0.00 N ATOM 0 H HIS A 45 6.063 -7.786 -2.772 1.00 0.00 H new ATOM 0 HA HIS A 45 6.573 -9.347 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.932 -7.464 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.861 -8.905 -3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 45 10.071 -6.596 -5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.353 -9.544 -8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 45 10.626 -7.378 -7.771 1.00 0.00 H new ATOM 745 N ASP A 46 7.018 -10.927 -2.217 1.00 0.00 N ATOM 746 CA ASP A 46 7.267 -12.274 -1.636 1.00 0.00 C ATOM 747 C ASP A 46 6.001 -13.129 -1.746 1.00 0.00 C ATOM 748 O ASP A 46 5.963 -14.252 -1.281 1.00 0.00 O ATOM 749 CB ASP A 46 7.661 -12.127 -0.166 1.00 0.00 C ATOM 750 CG ASP A 46 8.678 -10.993 -0.027 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.420 -10.769 -0.970 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.700 -10.367 1.020 1.00 0.00 O ATOM 0 H ASP A 46 6.723 -10.216 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 46 8.075 -12.760 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.779 -11.917 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.086 -13.060 0.204 1.00 0.00 H new ATOM 757 N PHE A 47 4.962 -12.618 -2.354 1.00 0.00 N ATOM 758 CA PHE A 47 3.713 -13.418 -2.480 1.00 0.00 C ATOM 759 C PHE A 47 3.790 -14.271 -3.745 1.00 0.00 C ATOM 760 O PHE A 47 3.182 -15.318 -3.840 1.00 0.00 O ATOM 761 CB PHE A 47 2.508 -12.479 -2.559 1.00 0.00 C ATOM 762 CG PHE A 47 1.232 -13.289 -2.593 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.839 -13.927 -3.774 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.443 -13.402 -1.441 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.341 -14.678 -3.806 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.738 -14.153 -1.473 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.130 -14.793 -2.654 1.00 0.00 C ATOM 0 H PHE A 47 4.926 -11.686 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 47 3.602 -14.066 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.501 -11.808 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.578 -11.856 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.447 -13.840 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.746 -12.910 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.644 -15.169 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.347 -14.238 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.040 -15.375 -2.677 1.00 0.00 H new ATOM 777 N MET A 48 4.542 -13.834 -4.720 1.00 0.00 N ATOM 778 CA MET A 48 4.667 -14.625 -5.976 1.00 0.00 C ATOM 779 C MET A 48 5.546 -15.849 -5.716 1.00 0.00 C ATOM 780 O MET A 48 5.315 -16.916 -6.248 1.00 0.00 O ATOM 781 CB MET A 48 5.306 -13.765 -7.070 1.00 0.00 C ATOM 782 CG MET A 48 6.548 -13.067 -6.514 1.00 0.00 C ATOM 783 SD MET A 48 7.584 -12.502 -7.888 1.00 0.00 S ATOM 784 CE MET A 48 8.138 -14.134 -8.441 1.00 0.00 C ATOM 0 H MET A 48 5.074 -12.964 -4.700 1.00 0.00 H new ATOM 0 HA MET A 48 3.677 -14.944 -6.302 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.577 -14.387 -7.923 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.591 -13.025 -7.429 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.256 -12.221 -5.892 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.109 -13.751 -5.878 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.224 -14.139 -8.530 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.830 -14.888 -7.716 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.694 -14.360 -9.411 1.00 0.00 H new ATOM 794 N GLN A 49 6.552 -15.702 -4.897 1.00 0.00 N ATOM 795 CA GLN A 49 7.445 -16.859 -4.601 1.00 0.00 C ATOM 796 C GLN A 49 6.591 -18.084 -4.275 1.00 0.00 C ATOM 797 O GLN A 49 6.566 -19.049 -5.013 1.00 0.00 O ATOM 798 CB GLN A 49 8.334 -16.523 -3.401 1.00 0.00 C ATOM 799 CG GLN A 49 9.075 -15.212 -3.665 1.00 0.00 C ATOM 800 CD GLN A 49 9.644 -14.672 -2.351 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.706 -14.082 -2.331 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.976 -14.850 -1.244 1.00 0.00 N ATOM 0 H GLN A 49 6.794 -14.833 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 49 8.071 -17.070 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.728 -16.435 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.048 -17.328 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.880 -15.375 -4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.397 -14.482 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.084 -15.345 -1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.345 -14.494 -0.363 1.00 0.00 H new ATOM 811 N GLY A 50 5.889 -18.050 -3.178 1.00 0.00 N ATOM 812 CA GLY A 50 5.033 -19.212 -2.805 1.00 0.00 C ATOM 813 C GLY A 50 3.660 -19.061 -3.463 1.00 0.00 C ATOM 814 O GLY A 50 2.753 -19.831 -3.215 1.00 0.00 O ATOM 0 H GLY A 50 5.870 -17.269 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.502 -20.142 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.926 -19.266 -1.722 1.00 0.00 H new ATOM 818 N GLY A 51 3.501 -18.073 -4.300 1.00 0.00 N ATOM 819 CA GLY A 51 2.189 -17.872 -4.975 1.00 0.00 C ATOM 820 C GLY A 51 1.058 -18.196 -3.998 1.00 0.00 C ATOM 821 O GLY A 51 0.026 -18.713 -4.378 1.00 0.00 O ATOM 0 H GLY A 51 4.224 -17.396 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.100 -16.842 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.119 -18.512 -5.855 1.00 0.00 H new ATOM 825 N GLY A 52 1.244 -17.896 -2.743 1.00 0.00 N ATOM 826 CA GLY A 52 0.178 -18.188 -1.743 1.00 0.00 C ATOM 827 C GLY A 52 0.741 -18.019 -0.332 1.00 0.00 C ATOM 828 O GLY A 52 0.800 -18.957 0.438 1.00 0.00 O ATOM 0 H GLY A 52 2.087 -17.462 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.668 -17.517 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.194 -19.204 -1.878 1.00 0.00 H new ATOM 832 N SER A 53 1.155 -16.831 0.015 1.00 0.00 N ATOM 833 CA SER A 53 1.711 -16.607 1.377 1.00 0.00 C ATOM 834 C SER A 53 0.611 -16.061 2.286 1.00 0.00 C ATOM 835 O SER A 53 0.852 -15.229 3.139 1.00 0.00 O ATOM 836 CB SER A 53 2.858 -15.598 1.300 1.00 0.00 C ATOM 837 OG SER A 53 3.381 -15.584 -0.021 1.00 0.00 O ATOM 0 H SER A 53 1.132 -16.007 -0.586 1.00 0.00 H new ATOM 0 HA SER A 53 2.084 -17.548 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.503 -14.604 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.640 -15.864 2.011 1.00 0.00 H new ATOM 0 HG SER A 53 4.337 -15.371 0.008 1.00 0.00 H new ATOM 843 N GLY A 54 -0.597 -16.520 2.112 1.00 0.00 N ATOM 844 CA GLY A 54 -1.708 -16.025 2.971 1.00 0.00 C ATOM 845 C GLY A 54 -1.220 -15.940 4.416 1.00 0.00 C ATOM 846 O GLY A 54 -1.836 -15.315 5.256 1.00 0.00 O ATOM 0 H GLY A 54 -0.862 -17.215 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.041 -15.045 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.565 -16.695 2.902 1.00 0.00 H new ATOM 850 N GLY A 55 -0.113 -16.565 4.709 1.00 0.00 N ATOM 851 CA GLY A 55 0.422 -16.522 6.098 1.00 0.00 C ATOM 852 C GLY A 55 1.398 -15.352 6.227 1.00 0.00 C ATOM 853 O GLY A 55 1.567 -14.787 7.289 1.00 0.00 O ATOM 0 H GLY A 55 0.444 -17.104 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.395 -16.410 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.926 -17.459 6.335 1.00 0.00 H new ATOM 857 N LYS A 56 2.040 -14.981 5.152 1.00 0.00 N ATOM 858 CA LYS A 56 3.001 -13.844 5.215 1.00 0.00 C ATOM 859 C LYS A 56 2.282 -12.550 4.838 1.00 0.00 C ATOM 860 O LYS A 56 2.733 -11.466 5.145 1.00 0.00 O ATOM 861 CB LYS A 56 4.152 -14.093 4.237 1.00 0.00 C ATOM 862 CG LYS A 56 4.721 -15.495 4.461 1.00 0.00 C ATOM 863 CD LYS A 56 5.759 -15.450 5.585 1.00 0.00 C ATOM 864 CE LYS A 56 5.895 -16.839 6.212 1.00 0.00 C ATOM 865 NZ LYS A 56 5.694 -17.879 5.164 1.00 0.00 N ATOM 0 H LYS A 56 1.940 -15.416 4.235 1.00 0.00 H new ATOM 0 HA LYS A 56 3.398 -13.758 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.799 -13.993 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.932 -13.346 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.920 -16.188 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.179 -15.864 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.721 -15.121 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.459 -14.726 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.880 -16.950 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.161 -16.964 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.122 -18.774 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.676 -18.019 5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.144 -17.571 4.278 1.00 0.00 H new ATOM 879 N LEU A 57 1.160 -12.654 4.181 1.00 0.00 N ATOM 880 CA LEU A 57 0.414 -11.426 3.797 1.00 0.00 C ATOM 881 C LEU A 57 -0.368 -10.920 5.007 1.00 0.00 C ATOM 882 O LEU A 57 -0.186 -9.807 5.458 1.00 0.00 O ATOM 883 CB LEU A 57 -0.561 -11.748 2.665 1.00 0.00 C ATOM 884 CG LEU A 57 -0.936 -10.457 1.932 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.020 -10.754 0.900 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.466 -9.431 2.937 1.00 0.00 C ATOM 0 H LEU A 57 0.730 -13.533 3.895 1.00 0.00 H new ATOM 0 HA LEU A 57 1.116 -10.663 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.108 -12.455 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.456 -12.224 3.066 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.053 -10.057 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.287 -9.835 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.648 -11.484 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.900 -11.155 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.732 -8.513 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.348 -9.833 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.696 -9.216 3.678 1.00 0.00 H new ATOM 898 N GLN A 58 -1.237 -11.730 5.540 1.00 0.00 N ATOM 899 CA GLN A 58 -2.023 -11.290 6.721 1.00 0.00 C ATOM 900 C GLN A 58 -1.082 -10.628 7.729 1.00 0.00 C ATOM 901 O GLN A 58 -1.511 -10.033 8.697 1.00 0.00 O ATOM 902 CB GLN A 58 -2.708 -12.501 7.356 1.00 0.00 C ATOM 903 CG GLN A 58 -4.038 -12.768 6.640 1.00 0.00 C ATOM 904 CD GLN A 58 -3.925 -12.354 5.168 1.00 0.00 C ATOM 905 OE1 GLN A 58 -3.117 -12.890 4.436 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.707 -11.416 4.701 1.00 0.00 N ATOM 0 H GLN A 58 -1.436 -12.674 5.210 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.785 -10.573 6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.062 -13.376 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.883 -12.319 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.295 -13.825 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.841 -12.211 7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.386 -10.965 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.638 -11.135 3.723 1.00 0.00 H new ATOM 915 N GLU A 59 0.201 -10.714 7.497 1.00 0.00 N ATOM 916 CA GLU A 59 1.173 -10.079 8.429 1.00 0.00 C ATOM 917 C GLU A 59 1.281 -8.590 8.098 1.00 0.00 C ATOM 918 O GLU A 59 1.035 -7.741 8.931 1.00 0.00 O ATOM 919 CB GLU A 59 2.546 -10.736 8.271 1.00 0.00 C ATOM 920 CG GLU A 59 2.496 -12.165 8.813 1.00 0.00 C ATOM 921 CD GLU A 59 2.078 -12.138 10.284 1.00 0.00 C ATOM 922 OE1 GLU A 59 2.310 -11.126 10.926 1.00 0.00 O ATOM 923 OE2 GLU A 59 1.535 -13.127 10.745 1.00 0.00 O ATOM 0 H GLU A 59 0.617 -11.198 6.701 1.00 0.00 H new ATOM 0 HA GLU A 59 0.831 -10.207 9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.838 -10.745 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.300 -10.159 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.790 -12.760 8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.472 -12.639 8.710 1.00 0.00 H new ATOM 930 N MET A 60 1.639 -8.262 6.884 1.00 0.00 N ATOM 931 CA MET A 60 1.749 -6.826 6.510 1.00 0.00 C ATOM 932 C MET A 60 0.346 -6.219 6.464 1.00 0.00 C ATOM 933 O MET A 60 0.178 -5.016 6.464 1.00 0.00 O ATOM 934 CB MET A 60 2.416 -6.697 5.137 1.00 0.00 C ATOM 935 CG MET A 60 1.597 -7.460 4.096 1.00 0.00 C ATOM 936 SD MET A 60 0.321 -6.371 3.421 1.00 0.00 S ATOM 937 CE MET A 60 0.507 -6.853 1.687 1.00 0.00 C ATOM 0 H MET A 60 1.858 -8.925 6.140 1.00 0.00 H new ATOM 0 HA MET A 60 2.355 -6.298 7.246 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.493 -5.647 4.856 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.431 -7.091 5.176 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.246 -7.817 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.138 -8.338 4.550 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.279 -6.387 1.093 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.480 -6.526 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.433 -7.937 1.601 1.00 0.00 H new ATOM 947 N MET A 61 -0.668 -7.046 6.437 1.00 0.00 N ATOM 948 CA MET A 61 -2.060 -6.517 6.404 1.00 0.00 C ATOM 949 C MET A 61 -2.181 -5.383 7.420 1.00 0.00 C ATOM 950 O MET A 61 -2.628 -4.298 7.106 1.00 0.00 O ATOM 951 CB MET A 61 -3.040 -7.638 6.760 1.00 0.00 C ATOM 952 CG MET A 61 -4.474 -7.106 6.736 1.00 0.00 C ATOM 953 SD MET A 61 -5.529 -8.183 7.737 1.00 0.00 S ATOM 954 CE MET A 61 -6.619 -6.896 8.393 1.00 0.00 C ATOM 0 H MET A 61 -0.590 -8.063 6.436 1.00 0.00 H new ATOM 0 HA MET A 61 -2.293 -6.143 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.937 -8.461 6.053 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.807 -8.036 7.748 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.503 -6.088 7.124 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.843 -7.068 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.362 -7.348 9.050 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.030 -6.172 8.956 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.123 -6.391 7.569 1.00 0.00 H new ATOM 964 N LYS A 62 -1.773 -5.622 8.637 1.00 0.00 N ATOM 965 CA LYS A 62 -1.852 -4.549 9.664 1.00 0.00 C ATOM 966 C LYS A 62 -1.028 -3.354 9.185 1.00 0.00 C ATOM 967 O LYS A 62 -1.496 -2.233 9.160 1.00 0.00 O ATOM 968 CB LYS A 62 -1.293 -5.062 10.991 1.00 0.00 C ATOM 969 CG LYS A 62 -2.080 -6.297 11.436 1.00 0.00 C ATOM 970 CD LYS A 62 -1.790 -6.581 12.911 1.00 0.00 C ATOM 971 CE LYS A 62 -2.802 -5.837 13.783 1.00 0.00 C ATOM 972 NZ LYS A 62 -2.654 -6.275 15.200 1.00 0.00 N ATOM 0 H LYS A 62 -1.390 -6.510 8.962 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.890 -4.251 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.238 -5.311 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.359 -4.283 11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.148 -6.134 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.802 -7.157 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.846 -7.652 13.104 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.777 -6.265 13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.644 -4.761 13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.815 -6.036 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.342 -5.769 15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.826 -7.299 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.691 -6.063 15.530 1.00 0.00 H new ATOM 986 N GLU A 63 0.195 -3.588 8.788 1.00 0.00 N ATOM 987 CA GLU A 63 1.040 -2.467 8.293 1.00 0.00 C ATOM 988 C GLU A 63 0.339 -1.819 7.098 1.00 0.00 C ATOM 989 O GLU A 63 0.420 -0.625 6.888 1.00 0.00 O ATOM 990 CB GLU A 63 2.406 -3.006 7.859 1.00 0.00 C ATOM 991 CG GLU A 63 3.410 -1.854 7.783 1.00 0.00 C ATOM 992 CD GLU A 63 4.293 -1.861 9.032 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.820 -1.433 10.071 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.429 -2.295 8.929 1.00 0.00 O ATOM 0 H GLU A 63 0.642 -4.505 8.786 1.00 0.00 H new ATOM 0 HA GLU A 63 1.185 -1.731 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.753 -3.759 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.324 -3.495 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.026 -1.953 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.883 -0.903 7.703 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.360 -2.603 6.321 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.082 -2.041 5.146 1.00 0.00 C ATOM 1003 C PHE A 64 -2.191 -1.113 5.652 1.00 0.00 C ATOM 1004 O PHE A 64 -2.276 0.039 5.277 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.710 -3.181 4.339 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.635 -2.876 2.859 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.723 -1.554 2.401 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.478 -3.922 1.943 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.651 -1.282 1.029 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.407 -3.650 0.571 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.494 -2.331 0.114 1.00 0.00 C ATOM 0 H PHE A 64 -0.461 -3.610 6.451 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.388 -1.489 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.191 -4.116 4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.749 -3.318 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.846 -0.745 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.411 -4.941 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.717 -0.263 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.285 -4.459 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.440 -2.121 -0.944 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.044 -1.620 6.506 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.155 -0.788 7.050 1.00 0.00 C ATOM 1023 C GLN A 65 -3.582 0.345 7.905 1.00 0.00 C ATOM 1024 O GLN A 65 -4.285 1.257 8.291 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.057 -1.668 7.920 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.481 -1.104 7.938 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.408 -2.034 7.153 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.329 -1.584 6.499 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -7.203 -3.322 7.192 1.00 0.00 N ATOM 0 H GLN A 65 -3.017 -2.580 6.850 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.729 -0.363 6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.066 -2.687 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.663 -1.715 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.832 -1.006 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.494 -0.106 7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.430 -3.699 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.815 -3.952 6.674 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.313 0.299 8.201 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.704 1.380 9.028 1.00 0.00 C ATOM 1040 C GLN A 66 -1.453 2.592 8.139 1.00 0.00 C ATOM 1041 O GLN A 66 -1.462 3.722 8.585 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.380 0.892 9.620 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.664 -0.066 10.778 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.484 0.672 12.106 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.217 0.061 13.123 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -0.619 1.970 12.141 1.00 0.00 N ATOM 0 H GLN A 66 -1.672 -0.438 7.907 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.377 1.649 9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.210 0.389 8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.209 1.740 9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.679 -0.456 10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.010 -0.921 10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.843 2.483 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.501 2.472 13.021 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.242 2.358 6.876 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.002 3.480 5.934 1.00 0.00 C ATOM 1057 C VAL A 67 -2.351 4.000 5.444 1.00 0.00 C ATOM 1058 O VAL A 67 -2.623 5.183 5.462 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.200 2.963 4.740 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.718 4.064 4.205 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.643 1.769 5.180 1.00 0.00 C ATOM 0 H VAL A 67 -1.226 1.430 6.454 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.450 4.279 6.430 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.888 2.661 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.284 3.684 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.117 4.917 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.407 4.376 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.217 1.397 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.325 2.077 5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.010 0.979 5.551 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.198 3.110 5.010 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.535 3.524 4.512 1.00 0.00 C ATOM 1073 C LEU A 68 -5.168 4.523 5.487 1.00 0.00 C ATOM 1074 O LEU A 68 -5.654 5.564 5.094 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.429 2.285 4.394 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.823 2.687 3.909 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.584 3.386 5.039 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.697 3.638 2.717 1.00 0.00 C ATOM 0 H LEU A 68 -3.018 2.106 4.979 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.430 3.999 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.985 1.572 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.502 1.786 5.360 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.368 1.793 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.576 3.670 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.679 2.708 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.039 4.278 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.691 3.923 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.148 4.530 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.162 3.139 1.909 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.172 4.211 6.755 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.782 5.139 7.750 1.00 0.00 C ATOM 1092 C ASP A 69 -4.823 6.295 8.042 1.00 0.00 C ATOM 1093 O ASP A 69 -5.188 7.274 8.661 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.068 4.380 9.047 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.305 4.973 9.725 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -8.191 5.417 9.014 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.345 4.972 10.945 1.00 0.00 O ATOM 0 H ASP A 69 -4.779 3.354 7.145 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.712 5.537 7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.229 3.323 8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.209 4.444 9.715 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.597 6.190 7.609 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.624 7.287 7.873 1.00 0.00 C ATOM 1104 C GLU A 70 -2.764 8.368 6.804 1.00 0.00 C ATOM 1105 O GLU A 70 -3.201 9.469 7.075 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.200 6.728 7.846 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.213 7.829 8.241 1.00 0.00 C ATOM 1108 CD GLU A 70 0.994 7.206 8.945 1.00 0.00 C ATOM 1109 OE1 GLU A 70 0.827 6.162 9.554 1.00 0.00 O ATOM 1110 OE2 GLU A 70 2.065 7.783 8.864 1.00 0.00 O ATOM 0 H GLU A 70 -3.228 5.396 7.086 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.828 7.718 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.115 5.885 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.964 6.353 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.112 8.376 7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.699 8.549 8.899 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.397 8.068 5.590 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.511 9.087 4.512 1.00 0.00 C ATOM 1119 C ILE A 71 -3.933 9.648 4.496 1.00 0.00 C ATOM 1120 O ILE A 71 -4.140 10.830 4.307 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.193 8.449 3.157 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.520 7.091 3.371 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.247 9.364 2.378 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.834 6.650 2.076 1.00 0.00 C ATOM 0 H ILE A 71 -2.024 7.164 5.299 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.802 9.893 4.700 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.118 8.310 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.789 7.159 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.260 6.350 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.018 8.913 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.723 10.332 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.325 9.500 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.355 5.683 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.576 6.566 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.082 7.387 1.794 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.914 8.813 4.702 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.319 9.308 4.704 1.00 0.00 C ATOM 1138 C LYS A 72 -6.412 10.537 5.610 1.00 0.00 C ATOM 1139 O LYS A 72 -7.133 11.473 5.331 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.248 8.213 5.233 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.691 8.718 5.223 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.590 7.714 5.949 1.00 0.00 C ATOM 1143 CE LYS A 72 -9.473 7.925 7.459 1.00 0.00 C ATOM 1144 NZ LYS A 72 -10.666 8.669 7.951 1.00 0.00 N ATOM 0 H LYS A 72 -4.804 7.813 4.868 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.617 9.573 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.161 7.318 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.957 7.932 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.750 9.692 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.033 8.852 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.625 7.841 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.300 6.696 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.396 6.963 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.564 8.481 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.586 8.813 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.720 9.592 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.526 8.122 7.743 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.681 10.540 6.690 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.717 11.707 7.612 1.00 0.00 C ATOM 1160 C GLN A 73 -4.989 12.883 6.959 1.00 0.00 C ATOM 1161 O GLN A 73 -5.281 14.032 7.224 1.00 0.00 O ATOM 1162 CB GLN A 73 -5.021 11.341 8.925 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.153 12.500 9.914 1.00 0.00 C ATOM 1164 CD GLN A 73 -6.369 12.269 10.812 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -7.464 12.059 10.330 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -6.222 12.297 12.109 1.00 0.00 N ATOM 0 H GLN A 73 -5.059 9.783 6.973 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.751 11.983 7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.465 10.439 9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.969 11.123 8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.250 12.580 10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.259 13.441 9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.303 12.473 12.514 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.026 12.143 12.717 1.00 0.00 H new ATOM 1175 N GLN A 74 -4.041 12.603 6.106 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.291 13.702 5.434 1.00 0.00 C ATOM 1177 C GLN A 74 -4.212 14.422 4.448 1.00 0.00 C ATOM 1178 O GLN A 74 -3.962 15.546 4.058 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.096 13.118 4.677 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.168 12.409 5.663 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.253 13.435 6.335 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.064 13.314 7.500 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.189 14.450 5.642 1.00 0.00 N ATOM 0 H GLN A 74 -3.753 11.660 5.845 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.937 14.409 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.440 12.417 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.557 13.911 4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.755 11.882 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.571 11.660 5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.077 14.553 4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.800 15.139 6.080 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.273 13.786 4.038 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.204 14.438 3.076 1.00 0.00 C ATOM 1194 C LEU A 75 -6.697 15.761 3.660 1.00 0.00 C ATOM 1195 O LEU A 75 -7.400 16.513 3.014 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.397 13.517 2.814 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.102 12.636 1.600 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.910 13.516 0.363 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.823 11.835 1.856 1.00 0.00 C ATOM 0 H LEU A 75 -5.536 12.844 4.327 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.682 14.628 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.590 12.896 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.295 14.109 2.638 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.936 11.954 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.700 12.887 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.818 14.091 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.075 14.198 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.609 11.205 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.991 12.520 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.957 11.208 2.738 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.332 16.053 4.878 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.778 17.330 5.502 1.00 0.00 C ATOM 1213 C GLN A 76 -5.859 18.467 5.051 1.00 0.00 C ATOM 1214 O GLN A 76 -4.914 18.820 5.728 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.720 17.200 7.025 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.216 18.497 7.668 1.00 0.00 C ATOM 1217 CD GLN A 76 -8.686 18.718 7.308 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -9.027 19.694 6.669 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -9.578 17.847 7.695 1.00 0.00 N ATOM 0 H GLN A 76 -5.745 15.463 5.467 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.801 17.547 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.334 16.361 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.699 16.991 7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.100 18.446 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.616 19.339 7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.292 17.028 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.561 17.986 7.461 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.127 19.040 3.909 1.00 0.00 N ATOM 1229 CA GLY A 77 -5.267 20.153 3.414 1.00 0.00 C ATOM 1230 C GLY A 77 -5.221 20.123 1.885 1.00 0.00 C ATOM 1231 O GLY A 77 -6.024 19.475 1.242 1.00 0.00 O ATOM 0 H GLY A 77 -6.903 18.786 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.659 21.110 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.260 20.057 3.820 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.290 20.822 1.295 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.196 20.836 -0.192 1.00 0.00 C ATOM 1237 C GLY A 78 -3.772 19.454 -0.694 1.00 0.00 C ATOM 1238 O GLY A 78 -3.131 19.323 -1.717 1.00 0.00 O ATOM 0 H GLY A 78 -3.590 21.384 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.158 21.111 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.475 21.588 -0.514 1.00 0.00 H new ATOM 1242 N ASP A 79 -4.127 18.421 0.019 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.746 17.047 -0.417 1.00 0.00 C ATOM 1244 C ASP A 79 -4.793 16.520 -1.400 1.00 0.00 C ATOM 1245 O ASP A 79 -4.928 15.328 -1.593 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.688 16.125 0.802 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.231 15.922 1.223 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -1.393 15.805 0.346 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -1.981 15.886 2.417 1.00 0.00 O ATOM 0 H ASP A 79 -4.664 18.468 0.885 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.770 17.075 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.258 16.557 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.146 15.164 0.566 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.535 17.394 -2.024 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.569 16.930 -2.992 1.00 0.00 C ATOM 1256 C ASN A 80 -5.926 15.972 -3.992 1.00 0.00 C ATOM 1257 O ASN A 80 -6.599 15.331 -4.774 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.153 18.134 -3.736 1.00 0.00 C ATOM 1259 CG ASN A 80 -8.396 18.636 -2.998 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -9.328 17.890 -2.774 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -8.449 19.880 -2.606 1.00 0.00 N ATOM 0 H ASN A 80 -5.470 18.405 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.368 16.418 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.410 18.929 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.412 17.854 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.272 20.224 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.667 20.508 -2.793 1.00 0.00 H new ATOM 1268 N SER A 81 -4.627 15.852 -3.959 1.00 0.00 N ATOM 1269 CA SER A 81 -3.945 14.917 -4.890 1.00 0.00 C ATOM 1270 C SER A 81 -4.040 13.519 -4.294 1.00 0.00 C ATOM 1271 O SER A 81 -4.353 12.559 -4.971 1.00 0.00 O ATOM 1272 CB SER A 81 -2.477 15.310 -5.039 1.00 0.00 C ATOM 1273 OG SER A 81 -2.288 15.950 -6.294 1.00 0.00 O ATOM 0 H SER A 81 -4.011 16.362 -3.326 1.00 0.00 H new ATOM 0 HA SER A 81 -4.415 14.950 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.183 15.978 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.843 14.426 -4.969 1.00 0.00 H new ATOM 0 HG SER A 81 -2.064 15.280 -6.973 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.795 13.404 -3.019 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.896 12.078 -2.365 1.00 0.00 C ATOM 1281 C LEU A 82 -5.315 11.558 -2.572 1.00 0.00 C ATOM 1282 O LEU A 82 -5.535 10.394 -2.840 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.610 12.224 -0.873 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.162 11.817 -0.596 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.242 12.461 -1.633 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.750 12.287 0.799 1.00 0.00 C ATOM 0 H LEU A 82 -3.529 14.173 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.174 11.383 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.777 13.254 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.292 11.599 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.080 10.732 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.210 12.170 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.528 12.127 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.331 13.546 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.718 11.995 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.837 13.372 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.401 11.830 1.544 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.283 12.427 -2.472 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.690 11.996 -2.684 1.00 0.00 C ATOM 1300 C HIS A 83 -7.739 11.106 -3.923 1.00 0.00 C ATOM 1301 O HIS A 83 -8.584 10.243 -4.053 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.577 13.224 -2.902 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.991 12.898 -2.510 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -11.062 13.100 -3.368 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.526 12.386 -1.354 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -12.178 12.714 -2.721 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.904 12.272 -1.493 1.00 0.00 N ATOM 0 H HIS A 83 -6.159 13.415 -2.253 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.049 11.449 -1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.208 14.062 -2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.540 13.532 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.963 12.114 -0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.171 12.757 -3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.567 11.923 -0.801 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.825 11.307 -4.832 1.00 0.00 N ATOM 1317 CA ASN A 84 -6.798 10.475 -6.064 1.00 0.00 C ATOM 1318 C ASN A 84 -5.898 9.263 -5.829 1.00 0.00 C ATOM 1319 O ASN A 84 -6.132 8.192 -6.353 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.248 11.300 -7.229 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.188 12.473 -7.516 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -7.894 12.930 -6.639 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.227 12.983 -8.716 1.00 0.00 N ATOM 0 H ASN A 84 -6.093 12.015 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.808 10.143 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.252 11.670 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.149 10.674 -8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.850 13.765 -8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.635 12.600 -9.453 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.868 9.421 -5.041 1.00 0.00 N ATOM 1331 CA VAL A 85 -3.957 8.280 -4.774 1.00 0.00 C ATOM 1332 C VAL A 85 -4.446 7.529 -3.535 1.00 0.00 C ATOM 1333 O VAL A 85 -4.575 6.321 -3.537 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.550 8.820 -4.529 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.518 7.754 -4.891 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.326 10.061 -5.397 1.00 0.00 C ATOM 0 H VAL A 85 -4.621 10.293 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.944 7.600 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.441 9.083 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.515 8.144 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.677 6.869 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.624 7.487 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.322 10.449 -5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.436 9.795 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.060 10.824 -5.137 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.729 8.240 -2.479 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.219 7.575 -1.241 1.00 0.00 C ATOM 1348 C HIS A 86 -6.396 6.663 -1.597 1.00 0.00 C ATOM 1349 O HIS A 86 -6.671 5.693 -0.917 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.668 8.644 -0.237 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.787 8.111 0.615 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -8.118 8.211 0.237 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.789 7.476 1.833 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.861 7.653 1.211 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -8.098 7.191 2.203 1.00 0.00 N ATOM 0 H HIS A 86 -4.642 9.255 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.423 6.979 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.829 8.939 0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.997 9.537 -0.767 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.470 8.631 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.910 7.236 2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.939 7.588 1.192 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.088 6.963 -2.661 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.242 6.113 -3.066 1.00 0.00 C ATOM 1366 C GLU A 87 -7.719 4.782 -3.612 1.00 0.00 C ATOM 1367 O GLU A 87 -8.414 3.785 -3.619 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.047 6.829 -4.153 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.528 6.850 -3.765 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.109 5.441 -3.886 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.542 4.534 -3.298 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.112 5.290 -4.566 1.00 0.00 O ATOM 0 H GLU A 87 -6.904 7.761 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.883 5.930 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.680 7.847 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.918 6.321 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.642 7.215 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.074 7.537 -4.412 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.498 4.762 -4.073 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.929 3.500 -4.621 1.00 0.00 C ATOM 1381 C ASN A 88 -5.750 2.482 -3.492 1.00 0.00 C ATOM 1382 O ASN A 88 -6.390 1.449 -3.470 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.572 3.792 -5.264 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.651 5.101 -6.049 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.638 5.807 -5.978 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.646 5.460 -6.801 1.00 0.00 N ATOM 0 H ASN A 88 -5.870 5.566 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.608 3.092 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.801 3.862 -4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.288 2.975 -5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.689 6.332 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.817 4.868 -6.861 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.884 2.764 -2.556 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.663 1.813 -1.429 1.00 0.00 C ATOM 1395 C ILE A 89 -5.987 1.131 -1.074 1.00 0.00 C ATOM 1396 O ILE A 89 -6.064 -0.076 -0.969 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.132 2.580 -0.209 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.663 2.967 -0.457 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.238 1.702 1.047 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.871 2.912 0.853 1.00 0.00 C ATOM 0 H ILE A 89 -4.320 3.613 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.935 1.058 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.726 3.482 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.220 2.290 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.610 3.970 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.860 2.252 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.281 1.434 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.649 0.796 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.834 3.188 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.306 3.608 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.909 1.901 1.259 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.027 1.894 -0.882 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.341 1.286 -0.523 1.00 0.00 C ATOM 1414 C LYS A 90 -8.577 0.035 -1.373 1.00 0.00 C ATOM 1415 O LYS A 90 -8.653 -1.065 -0.863 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.458 2.296 -0.780 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.702 1.894 0.014 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.794 2.741 1.285 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.543 4.041 0.981 1.00 0.00 C ATOM 1420 NZ LYS A 90 -10.924 5.162 1.743 1.00 0.00 N ATOM 0 H LYS A 90 -7.025 2.911 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.336 1.011 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.134 3.295 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.690 2.335 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.595 2.034 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.655 0.836 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.311 2.186 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.795 2.964 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.509 4.251 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.594 3.940 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.366 6.060 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.069 5.011 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.905 5.199 1.540 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.692 0.190 -2.662 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.922 -0.994 -3.537 1.00 0.00 C ATOM 1436 C GLU A 91 -7.613 -1.770 -3.697 1.00 0.00 C ATOM 1437 O GLU A 91 -7.582 -2.982 -3.628 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.408 -0.527 -4.909 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.719 0.244 -4.751 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.901 -0.716 -4.901 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.992 -1.355 -5.936 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.694 -0.797 -3.978 1.00 0.00 O ATOM 0 H GLU A 91 -8.637 1.085 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.675 -1.640 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.655 0.107 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.555 -1.384 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.752 0.728 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.781 1.033 -5.500 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.530 -1.076 -3.911 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.218 -1.762 -4.077 1.00 0.00 C ATOM 1451 C ILE A 92 -4.966 -2.687 -2.880 1.00 0.00 C ATOM 1452 O ILE A 92 -4.763 -3.875 -3.026 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.109 -0.705 -4.156 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.782 -0.422 -5.625 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.850 -1.208 -3.439 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -2.889 -1.534 -6.174 1.00 0.00 C ATOM 0 H ILE A 92 -6.497 -0.059 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.225 -2.356 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.451 0.210 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.701 -0.359 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.280 0.541 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.069 -0.450 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.082 -1.406 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.503 -2.126 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.657 -1.331 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.964 -1.575 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.408 -2.489 -6.096 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.961 -2.138 -1.700 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.706 -2.959 -0.483 1.00 0.00 C ATOM 1470 C PHE A 93 -5.683 -4.136 -0.426 1.00 0.00 C ATOM 1471 O PHE A 93 -5.284 -5.273 -0.271 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.884 -2.066 0.747 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.909 -2.885 2.018 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.276 -4.135 2.086 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.569 -2.377 3.143 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.306 -4.869 3.275 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.598 -3.111 4.331 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.968 -4.358 4.399 1.00 0.00 C ATOM 0 H PHE A 93 -5.124 -1.147 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.693 -3.359 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.071 -1.341 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.811 -1.500 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.766 -4.530 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.057 -1.415 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.818 -5.831 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.107 -2.716 5.197 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.992 -4.926 5.317 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.954 -3.880 -0.550 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.939 -4.999 -0.501 1.00 0.00 C ATOM 1490 C HIS A 94 -7.815 -5.841 -1.771 1.00 0.00 C ATOM 1491 O HIS A 94 -8.436 -6.878 -1.902 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.359 -4.432 -0.398 1.00 0.00 C ATOM 1493 CG HIS A 94 -9.990 -4.885 0.891 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.723 -4.026 1.699 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.004 -6.102 1.528 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.143 -4.731 2.766 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -10.731 -6.000 2.708 1.00 0.00 N ATOM 0 H HIS A 94 -7.354 -2.951 -0.682 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.736 -5.622 0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.331 -3.343 -0.438 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.958 -4.767 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.524 -7.000 1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.739 -4.322 3.569 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.912 -6.739 3.387 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.016 -5.409 -2.708 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.855 -6.194 -3.965 1.00 0.00 C ATOM 1508 C HIS A 95 -5.924 -7.376 -3.701 1.00 0.00 C ATOM 1509 O HIS A 95 -6.086 -8.443 -4.257 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.255 -5.302 -5.055 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.157 -5.297 -6.257 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -7.106 -6.290 -7.224 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.139 -4.426 -6.663 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.032 -5.997 -8.155 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.686 -4.872 -7.859 1.00 0.00 N ATOM 0 H HIS A 95 -6.469 -4.549 -2.658 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.827 -6.559 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.128 -4.287 -4.679 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.265 -5.665 -5.332 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.439 -3.533 -6.134 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.222 -6.597 -9.032 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.432 -4.432 -8.398 1.00 0.00 H new ATOM 1524 N LEU A 96 -4.952 -7.197 -2.852 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.022 -8.317 -2.553 1.00 0.00 C ATOM 1526 C LEU A 96 -4.793 -9.409 -1.809 1.00 0.00 C ATOM 1527 O LEU A 96 -4.901 -10.526 -2.272 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.873 -7.814 -1.680 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.544 -8.382 -2.190 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.481 -8.223 -1.106 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.699 -9.869 -2.521 1.00 0.00 C ATOM 0 H LEU A 96 -4.763 -6.327 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.613 -8.717 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.843 -6.725 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.033 -8.114 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.248 -7.842 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.467 -8.626 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.359 -7.166 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.790 -8.763 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.749 -10.262 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.999 -10.412 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.460 -9.993 -3.292 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.339 -9.094 -0.664 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.106 -10.122 0.092 1.00 0.00 C ATOM 1545 C GLU A 97 -7.106 -10.784 -0.854 1.00 0.00 C ATOM 1546 O GLU A 97 -7.710 -11.790 -0.535 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.854 -9.458 1.250 1.00 0.00 C ATOM 1548 CG GLU A 97 -5.856 -9.058 2.339 1.00 0.00 C ATOM 1549 CD GLU A 97 -6.560 -8.191 3.384 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -6.621 -6.990 3.184 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -7.025 -8.743 4.368 1.00 0.00 O ATOM 0 H GLU A 97 -5.287 -8.175 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.424 -10.872 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.391 -8.579 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.598 -10.143 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.440 -9.948 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.022 -8.511 1.899 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.278 -10.231 -2.024 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.229 -10.828 -3.001 1.00 0.00 C ATOM 1560 C GLU A 98 -7.487 -11.873 -3.834 1.00 0.00 C ATOM 1561 O GLU A 98 -8.042 -12.883 -4.220 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.779 -9.732 -3.916 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.236 -9.446 -3.551 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.862 -8.545 -4.619 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.211 -7.595 -5.020 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.983 -8.820 -5.015 1.00 0.00 O ATOM 0 H GLU A 98 -6.799 -9.389 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.059 -11.298 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.183 -8.825 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.709 -10.044 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.793 -10.380 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.290 -8.963 -2.575 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.229 -11.645 -4.103 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.448 -12.632 -4.898 1.00 0.00 C ATOM 1575 C LEU A 99 -5.167 -13.854 -4.022 1.00 0.00 C ATOM 1576 O LEU A 99 -4.637 -14.851 -4.472 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.123 -12.005 -5.337 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.279 -11.395 -6.730 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.430 -10.128 -6.831 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.813 -12.403 -7.781 1.00 0.00 C ATOM 0 H LEU A 99 -5.710 -10.818 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.014 -12.927 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.819 -11.237 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.337 -12.760 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.326 -11.145 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.542 -9.693 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.759 -9.409 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.383 -10.377 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.924 -11.970 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.766 -12.651 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.417 -13.308 -7.710 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.517 -13.775 -2.768 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.277 -14.917 -1.844 1.00 0.00 C ATOM 1594 C VAL A 100 -6.620 -15.484 -1.382 1.00 0.00 C ATOM 1595 O VAL A 100 -6.731 -16.643 -1.033 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.474 -14.419 -0.641 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.782 -13.110 -1.010 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.408 -14.170 0.541 1.00 0.00 C ATOM 0 H VAL A 100 -5.962 -12.962 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.718 -15.702 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.735 -15.171 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.208 -12.749 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.112 -13.278 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.531 -12.367 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.829 -13.816 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.148 -13.418 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.914 -15.098 0.807 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.639 -14.672 -1.371 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.970 -15.157 -0.925 1.00 0.00 C ATOM 1610 C HIS A 101 -9.487 -16.214 -1.904 1.00 0.00 C ATOM 1611 O HIS A 101 -10.665 -16.509 -1.949 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.948 -13.982 -0.872 1.00 0.00 C ATOM 1613 CG HIS A 101 -9.669 -13.162 0.356 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -8.965 -13.670 1.439 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -9.985 -11.866 0.688 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -8.881 -12.695 2.363 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -9.484 -11.578 1.954 1.00 0.00 N ATOM 0 H HIS A 101 -7.606 -13.692 -1.652 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.881 -15.600 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.845 -13.367 -1.766 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.974 -14.348 -0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.536 -11.178 0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.387 -12.804 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.562 -10.697 2.463 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.615 -16.789 -2.688 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.057 -17.827 -3.661 1.00 0.00 C ATOM 1628 C ARG A 102 -9.533 -19.065 -2.901 1.00 0.00 C ATOM 1629 O ARG A 102 -9.413 -19.074 -1.686 1.00 0.00 O ATOM 1630 CB ARG A 102 -7.887 -18.208 -4.570 1.00 0.00 C ATOM 1631 CG ARG A 102 -6.963 -17.002 -4.752 1.00 0.00 C ATOM 1632 CD ARG A 102 -5.989 -17.276 -5.898 1.00 0.00 C ATOM 1633 NE ARG A 102 -6.754 -17.535 -7.150 1.00 0.00 N ATOM 1634 CZ ARG A 102 -7.270 -16.539 -7.815 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -7.105 -15.315 -7.392 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -7.951 -16.765 -8.906 1.00 0.00 N ATOM 1637 OXT ARG A 102 -10.008 -19.986 -3.545 1.00 0.00 O ATOM 0 H ARG A 102 -7.616 -16.584 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.873 -17.433 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.333 -19.041 -4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.260 -18.542 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.550 -16.109 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -6.413 -16.809 -3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.324 -16.424 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.362 -18.135 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.874 -18.490 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.572 -15.137 -6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.509 -14.537 -7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.079 -17.721 -9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.355 -15.986 -9.426 1.00 0.00 H new TER 1651 ARG A 102