USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 28 HIS : no HD1:sc= -1.45 K(o=0.27,f=1.6) USER MOD Set 1.2: A 29 HIS : no HE2:sc= 0.506 K(o=0.27,f=-6.2!) USER MOD Set 1.3: A 30 LYS NZ :NH3+ 168:sc= 1.21 (180deg=-0.125) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.01 (180deg=0.619) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= 1.19 (180deg=1.02) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.0676 (180deg=-0.337) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 75:sc= 0.423 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.32) USER MOD Single : A 43 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.022) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.06) USER MOD Single : A 50 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.762) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -0.0118 (180deg=-0.145) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.133 USER MOD Single : A 60 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=-0.00098) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 62 HIS : no HD1:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.938 -6.131 4.029 1.00 0.00 N ATOM 2 CA MET A 1 11.049 -6.981 3.569 1.00 0.00 C ATOM 3 C MET A 1 11.236 -6.904 2.061 1.00 0.00 C ATOM 4 O MET A 1 12.367 -6.851 1.579 1.00 0.00 O ATOM 5 CB MET A 1 10.871 -8.454 3.974 1.00 0.00 C ATOM 6 CG MET A 1 11.007 -8.767 5.459 1.00 0.00 C ATOM 7 SD MET A 1 9.700 -8.058 6.476 1.00 0.00 S ATOM 8 CE MET A 1 10.177 -8.686 8.088 1.00 0.00 C ATOM 0 H1 MET A 1 9.632 -6.440 4.974 1.00 0.00 H new ATOM 0 H2 MET A 1 10.254 -5.141 4.074 1.00 0.00 H new ATOM 0 H3 MET A 1 9.142 -6.210 3.364 1.00 0.00 H new ATOM 0 HA MET A 1 11.938 -6.589 4.063 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.886 -8.783 3.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.604 -9.049 3.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.012 -9.849 5.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.970 -8.397 5.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.467 -8.338 8.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.179 -9.776 8.068 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.175 -8.326 8.338 1.00 0.00 H new ATOM 20 N ASN A 2 10.147 -6.931 1.314 1.00 0.00 N ATOM 21 CA ASN A 2 10.197 -6.878 -0.139 1.00 0.00 C ATOM 22 C ASN A 2 9.140 -5.950 -0.661 1.00 0.00 C ATOM 23 O ASN A 2 7.958 -6.109 -0.336 1.00 0.00 O ATOM 24 CB ASN A 2 9.974 -8.265 -0.772 1.00 0.00 C ATOM 25 CG ASN A 2 11.110 -9.235 -0.565 1.00 0.00 C ATOM 26 OD1 ASN A 2 11.138 -9.980 0.415 1.00 0.00 O ATOM 27 ND2 ASN A 2 12.042 -9.246 -1.485 1.00 0.00 N ATOM 0 H ASN A 2 9.203 -6.990 1.696 1.00 0.00 H new ATOM 0 HA ASN A 2 11.191 -6.520 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.063 -8.698 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.810 -8.140 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.830 -9.889 -1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.980 -8.612 -2.281 1.00 0.00 H new ATOM 34 N VAL A 3 9.535 -5.006 -1.493 1.00 0.00 N ATOM 35 CA VAL A 3 8.587 -4.067 -2.080 1.00 0.00 C ATOM 36 C VAL A 3 7.657 -4.746 -3.075 1.00 0.00 C ATOM 37 O VAL A 3 6.547 -4.288 -3.297 1.00 0.00 O ATOM 38 CB VAL A 3 9.249 -2.819 -2.721 1.00 0.00 C ATOM 39 CG1 VAL A 3 9.927 -1.984 -1.656 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.241 -3.203 -3.818 1.00 0.00 C ATOM 0 H VAL A 3 10.504 -4.865 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 3 7.997 -3.705 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 3 8.462 -2.227 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.388 -1.111 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.188 -1.660 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.693 -2.580 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.683 -2.301 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.028 -3.828 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.721 -3.755 -4.601 1.00 0.00 H new ATOM 50 N THR A 4 8.097 -5.847 -3.658 1.00 0.00 N ATOM 51 CA THR A 4 7.243 -6.587 -4.554 1.00 0.00 C ATOM 52 C THR A 4 6.077 -7.224 -3.758 1.00 0.00 C ATOM 53 O THR A 4 4.941 -7.262 -4.221 1.00 0.00 O ATOM 54 CB THR A 4 8.035 -7.638 -5.394 1.00 0.00 C ATOM 55 OG1 THR A 4 7.162 -8.344 -6.276 1.00 0.00 O ATOM 56 CG2 THR A 4 8.768 -8.626 -4.506 1.00 0.00 C ATOM 0 H THR A 4 9.029 -6.240 -3.526 1.00 0.00 H new ATOM 0 HA THR A 4 6.821 -5.892 -5.280 1.00 0.00 H new ATOM 0 HB THR A 4 8.772 -7.090 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.678 -8.996 -6.794 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.308 -9.342 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.474 -8.091 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.049 -9.157 -3.881 1.00 0.00 H new ATOM 64 N LYS A 5 6.358 -7.656 -2.525 1.00 0.00 N ATOM 65 CA LYS A 5 5.330 -8.185 -1.652 1.00 0.00 C ATOM 66 C LYS A 5 4.453 -7.065 -1.128 1.00 0.00 C ATOM 67 O LYS A 5 3.268 -7.259 -0.889 1.00 0.00 O ATOM 68 CB LYS A 5 5.938 -9.018 -0.520 1.00 0.00 C ATOM 69 CG LYS A 5 6.162 -10.494 -0.871 1.00 0.00 C ATOM 70 CD LYS A 5 6.975 -10.704 -2.140 1.00 0.00 C ATOM 71 CE LYS A 5 7.086 -12.181 -2.487 1.00 0.00 C ATOM 72 NZ LYS A 5 7.770 -12.404 -3.779 1.00 0.00 N ATOM 0 H LYS A 5 7.293 -7.646 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 5 4.696 -8.857 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.892 -8.577 -0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.284 -8.959 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.670 -10.983 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.194 -10.982 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.508 -10.168 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.972 -10.283 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.630 -12.698 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.089 -12.619 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.822 -13.424 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.238 -11.934 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.732 -12.011 -3.735 1.00 0.00 H new ATOM 86 N LEU A 6 5.042 -5.887 -0.971 1.00 0.00 N ATOM 87 CA LEU A 6 4.298 -4.693 -0.597 1.00 0.00 C ATOM 88 C LEU A 6 3.277 -4.401 -1.693 1.00 0.00 C ATOM 89 O LEU A 6 2.093 -4.247 -1.420 1.00 0.00 O ATOM 90 CB LEU A 6 5.260 -3.503 -0.427 1.00 0.00 C ATOM 91 CG LEU A 6 4.668 -2.165 0.045 1.00 0.00 C ATOM 92 CD1 LEU A 6 3.976 -2.308 1.391 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.769 -1.123 0.131 1.00 0.00 C ATOM 0 H LEU A 6 6.042 -5.733 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 6 3.786 -4.851 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.033 -3.796 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.754 -3.332 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 6 3.919 -1.847 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.569 -1.344 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.167 -3.034 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.695 -2.649 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.348 -0.175 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.528 -1.453 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.223 -0.991 -0.851 1.00 0.00 H new ATOM 105 N ASN A 7 3.757 -4.396 -2.939 1.00 0.00 N ATOM 106 CA ASN A 7 2.923 -4.179 -4.135 1.00 0.00 C ATOM 107 C ASN A 7 1.810 -5.225 -4.219 1.00 0.00 C ATOM 108 O ASN A 7 0.660 -4.907 -4.539 1.00 0.00 O ATOM 109 CB ASN A 7 3.784 -4.257 -5.405 1.00 0.00 C ATOM 110 CG ASN A 7 2.992 -4.054 -6.699 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.018 -3.303 -6.751 1.00 0.00 O ATOM 112 ND2 ASN A 7 3.381 -4.752 -7.736 1.00 0.00 N ATOM 0 H ASN A 7 4.743 -4.543 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 7 2.475 -3.188 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.569 -3.503 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.277 -5.228 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.873 -4.682 -8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.192 -5.366 -7.662 1.00 0.00 H new ATOM 119 N ASP A 8 2.163 -6.467 -3.925 1.00 0.00 N ATOM 120 CA ASP A 8 1.207 -7.584 -3.924 1.00 0.00 C ATOM 121 C ASP A 8 0.072 -7.308 -2.940 1.00 0.00 C ATOM 122 O ASP A 8 -1.109 -7.514 -3.252 1.00 0.00 O ATOM 123 CB ASP A 8 1.917 -8.891 -3.553 1.00 0.00 C ATOM 124 CG ASP A 8 1.006 -10.093 -3.621 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.362 -10.437 -2.606 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.922 -10.731 -4.693 1.00 0.00 O ATOM 0 H ASP A 8 3.115 -6.737 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 8 0.788 -7.683 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.762 -9.043 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.323 -8.805 -2.545 1.00 0.00 H new ATOM 131 N ARG A 9 0.438 -6.804 -1.765 1.00 0.00 N ATOM 132 CA ARG A 9 -0.528 -6.428 -0.734 1.00 0.00 C ATOM 133 C ARG A 9 -1.404 -5.292 -1.217 1.00 0.00 C ATOM 134 O ARG A 9 -2.603 -5.298 -1.002 1.00 0.00 O ATOM 135 CB ARG A 9 0.172 -5.978 0.541 1.00 0.00 C ATOM 136 CG ARG A 9 0.991 -7.034 1.240 1.00 0.00 C ATOM 137 CD ARG A 9 1.695 -6.435 2.437 1.00 0.00 C ATOM 138 NE ARG A 9 0.739 -5.864 3.403 1.00 0.00 N ATOM 139 CZ ARG A 9 1.047 -5.005 4.382 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.293 -4.559 4.516 1.00 0.00 N ATOM 141 NH2 ARG A 9 0.095 -4.579 5.208 1.00 0.00 N ATOM 0 H ARG A 9 1.410 -6.644 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.134 -7.310 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.824 -5.138 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.581 -5.608 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.347 -7.853 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.723 -7.454 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.294 -7.202 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.383 -5.658 2.103 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.237 -6.147 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.019 -4.872 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.523 -3.904 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.864 -4.907 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.324 -3.924 5.956 1.00 0.00 H new ATOM 155 N ILE A 10 -0.789 -4.323 -1.873 1.00 0.00 N ATOM 156 CA ILE A 10 -1.496 -3.156 -2.393 1.00 0.00 C ATOM 157 C ILE A 10 -2.519 -3.574 -3.438 1.00 0.00 C ATOM 158 O ILE A 10 -3.648 -3.087 -3.439 1.00 0.00 O ATOM 159 CB ILE A 10 -0.510 -2.124 -3.005 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.493 -1.689 -1.946 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.266 -0.904 -3.547 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.598 -0.819 -2.474 1.00 0.00 C ATOM 0 H ILE A 10 0.213 -4.319 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.011 -2.684 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 10 0.018 -2.593 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.035 -1.151 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.930 -2.576 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.555 -0.194 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.965 -1.223 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.815 -0.426 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.271 -0.551 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.153 -1.361 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.173 0.087 -2.906 1.00 0.00 H new ATOM 174 N GLU A 11 -2.139 -4.499 -4.295 1.00 0.00 N ATOM 175 CA GLU A 11 -3.029 -4.984 -5.331 1.00 0.00 C ATOM 176 C GLU A 11 -4.210 -5.722 -4.699 1.00 0.00 C ATOM 177 O GLU A 11 -5.366 -5.552 -5.101 1.00 0.00 O ATOM 178 CB GLU A 11 -2.288 -5.892 -6.293 1.00 0.00 C ATOM 179 CG GLU A 11 -3.073 -6.210 -7.544 1.00 0.00 C ATOM 180 CD GLU A 11 -2.325 -7.110 -8.467 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.296 -6.693 -9.018 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.762 -8.252 -8.672 1.00 0.00 O ATOM 0 H GLU A 11 -1.216 -4.932 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.407 -4.131 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.346 -5.420 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.038 -6.823 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.017 -6.679 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.317 -5.283 -8.063 1.00 0.00 H new ATOM 189 N ALA A 12 -3.915 -6.485 -3.669 1.00 0.00 N ATOM 190 CA ALA A 12 -4.927 -7.204 -2.923 1.00 0.00 C ATOM 191 C ALA A 12 -5.818 -6.229 -2.156 1.00 0.00 C ATOM 192 O ALA A 12 -6.972 -6.532 -1.847 1.00 0.00 O ATOM 193 CB ALA A 12 -4.275 -8.187 -1.971 1.00 0.00 C ATOM 0 H ALA A 12 -2.965 -6.625 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.549 -7.759 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.046 -8.722 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.676 -8.900 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.634 -7.648 -1.274 1.00 0.00 H new ATOM 199 N LYS A 13 -5.275 -5.059 -1.862 1.00 0.00 N ATOM 200 CA LYS A 13 -5.987 -4.033 -1.130 1.00 0.00 C ATOM 201 C LYS A 13 -6.963 -3.347 -2.071 1.00 0.00 C ATOM 202 O LYS A 13 -8.053 -2.944 -1.672 1.00 0.00 O ATOM 203 CB LYS A 13 -5.003 -3.014 -0.523 1.00 0.00 C ATOM 204 CG LYS A 13 -5.632 -2.015 0.442 1.00 0.00 C ATOM 205 CD LYS A 13 -6.190 -2.723 1.661 1.00 0.00 C ATOM 206 CE LYS A 13 -6.825 -1.765 2.644 1.00 0.00 C ATOM 207 NZ LYS A 13 -7.367 -2.488 3.806 1.00 0.00 N ATOM 0 H LYS A 13 -4.325 -4.797 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.537 -4.488 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.216 -3.557 0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.526 -2.464 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.887 -1.282 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.428 -1.467 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.930 -3.458 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.389 -3.271 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.086 -1.036 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.623 -1.209 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.155 -1.946 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.709 -3.423 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.620 -2.606 4.520 1.00 0.00 H new ATOM 221 N LYS A 14 -6.562 -3.239 -3.326 1.00 0.00 N ATOM 222 CA LYS A 14 -7.395 -2.664 -4.370 1.00 0.00 C ATOM 223 C LYS A 14 -8.622 -3.521 -4.549 1.00 0.00 C ATOM 224 O LYS A 14 -9.742 -3.029 -4.529 1.00 0.00 O ATOM 225 CB LYS A 14 -6.633 -2.598 -5.692 1.00 0.00 C ATOM 226 CG LYS A 14 -5.385 -1.740 -5.667 1.00 0.00 C ATOM 227 CD LYS A 14 -4.634 -1.864 -6.968 1.00 0.00 C ATOM 228 CE LYS A 14 -3.375 -1.019 -6.982 1.00 0.00 C ATOM 229 NZ LYS A 14 -2.711 -1.053 -8.303 1.00 0.00 N ATOM 0 H LYS A 14 -5.646 -3.549 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.678 -1.653 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.354 -3.610 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.303 -2.216 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.656 -0.698 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.744 -2.044 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.371 -2.908 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.282 -1.562 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.624 0.011 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.686 -1.379 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.854 -0.464 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.451 -2.033 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.360 -0.686 -9.028 1.00 0.00 H new ATOM 243 N LYS A 15 -8.393 -4.825 -4.663 1.00 0.00 N ATOM 244 CA LYS A 15 -9.473 -5.800 -4.849 1.00 0.00 C ATOM 245 C LYS A 15 -10.374 -5.837 -3.620 1.00 0.00 C ATOM 246 O LYS A 15 -11.583 -6.064 -3.716 1.00 0.00 O ATOM 247 CB LYS A 15 -8.896 -7.198 -5.093 1.00 0.00 C ATOM 248 CG LYS A 15 -7.896 -7.287 -6.236 1.00 0.00 C ATOM 249 CD LYS A 15 -8.483 -6.818 -7.559 1.00 0.00 C ATOM 250 CE LYS A 15 -7.473 -6.969 -8.685 1.00 0.00 C ATOM 251 NZ LYS A 15 -7.106 -8.381 -8.908 1.00 0.00 N ATOM 0 H LYS A 15 -7.461 -5.239 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.058 -5.495 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.412 -7.540 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.718 -7.885 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.020 -6.684 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.556 -8.317 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.379 -7.395 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.788 -5.775 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.887 -6.552 -9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.578 -6.394 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.656 -8.480 -9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.442 -8.688 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.961 -8.972 -8.872 1.00 0.00 H new ATOM 265 N GLU A 16 -9.774 -5.568 -2.479 1.00 0.00 N ATOM 266 CA GLU A 16 -10.461 -5.578 -1.214 1.00 0.00 C ATOM 267 C GLU A 16 -11.403 -4.398 -1.187 1.00 0.00 C ATOM 268 O GLU A 16 -12.563 -4.523 -0.828 1.00 0.00 O ATOM 269 CB GLU A 16 -9.442 -5.467 -0.083 1.00 0.00 C ATOM 270 CG GLU A 16 -10.004 -5.654 1.304 1.00 0.00 C ATOM 271 CD GLU A 16 -8.964 -5.439 2.366 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.098 -6.325 2.570 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.980 -4.387 3.017 1.00 0.00 O ATOM 0 H GLU A 16 -8.784 -5.334 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.021 -6.504 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.660 -6.209 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.967 -4.487 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.829 -4.958 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.414 -6.660 1.396 1.00 0.00 H new ATOM 280 N LEU A 17 -10.890 -3.262 -1.612 1.00 0.00 N ATOM 281 CA LEU A 17 -11.652 -2.040 -1.714 1.00 0.00 C ATOM 282 C LEU A 17 -12.763 -2.146 -2.725 1.00 0.00 C ATOM 283 O LEU A 17 -13.818 -1.590 -2.515 1.00 0.00 O ATOM 284 CB LEU A 17 -10.751 -0.853 -2.018 1.00 0.00 C ATOM 285 CG LEU A 17 -10.438 0.078 -0.842 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.501 1.177 -1.280 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.719 0.685 -0.281 1.00 0.00 C ATOM 0 H LEU A 17 -9.917 -3.163 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.116 -1.874 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.809 -1.231 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.217 -0.263 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.958 -0.510 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.287 1.831 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.572 0.739 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.967 1.756 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.475 1.343 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.222 1.258 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.378 -0.111 0.066 1.00 0.00 H new ATOM 299 N ILE A 18 -12.527 -2.850 -3.818 1.00 0.00 N ATOM 300 CA ILE A 18 -13.573 -3.063 -4.819 1.00 0.00 C ATOM 301 C ILE A 18 -14.727 -3.836 -4.180 1.00 0.00 C ATOM 302 O ILE A 18 -15.885 -3.435 -4.259 1.00 0.00 O ATOM 303 CB ILE A 18 -13.045 -3.842 -6.059 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.908 -3.066 -6.740 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.179 -4.105 -7.053 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.269 -3.795 -7.906 1.00 0.00 C ATOM 0 H ILE A 18 -11.630 -3.283 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.912 -2.087 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.654 -4.801 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.296 -2.110 -7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.140 -2.845 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.790 -4.650 -7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.957 -4.696 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.599 -3.156 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.476 -3.179 -8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.848 -4.739 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.022 -3.992 -8.669 1.00 0.00 H new ATOM 318 N TYR A 19 -14.382 -4.903 -3.500 1.00 0.00 N ATOM 319 CA TYR A 19 -15.348 -5.729 -2.829 1.00 0.00 C ATOM 320 C TYR A 19 -16.066 -4.944 -1.716 1.00 0.00 C ATOM 321 O TYR A 19 -17.294 -4.872 -1.685 1.00 0.00 O ATOM 322 CB TYR A 19 -14.655 -6.980 -2.265 1.00 0.00 C ATOM 323 CG TYR A 19 -15.573 -7.895 -1.505 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.457 -8.724 -2.170 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.569 -7.916 -0.118 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.312 -9.547 -1.478 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.422 -8.730 0.580 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.291 -9.548 -0.105 1.00 0.00 C ATOM 329 OH TYR A 19 -18.158 -10.355 0.590 1.00 0.00 O ATOM 0 H TYR A 19 -13.418 -5.221 -3.398 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.106 -6.041 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.204 -7.535 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.843 -6.668 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.476 -8.725 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.882 -7.280 0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.997 -10.190 -2.011 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.412 -8.730 1.660 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.014 -10.238 1.552 1.00 0.00 H new ATOM 339 N LEU A 20 -15.291 -4.327 -0.845 1.00 0.00 N ATOM 340 CA LEU A 20 -15.827 -3.607 0.300 1.00 0.00 C ATOM 341 C LEU A 20 -16.651 -2.396 -0.088 1.00 0.00 C ATOM 342 O LEU A 20 -17.648 -2.102 0.569 1.00 0.00 O ATOM 343 CB LEU A 20 -14.729 -3.215 1.288 1.00 0.00 C ATOM 344 CG LEU A 20 -14.010 -4.373 1.987 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.930 -3.845 2.911 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.002 -5.233 2.760 1.00 0.00 C ATOM 0 H LEU A 20 -14.273 -4.309 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.503 -4.305 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.986 -2.619 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.167 -2.572 2.051 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.539 -4.995 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.429 -4.681 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.203 -3.274 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.380 -3.200 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.471 -6.050 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.503 -4.624 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.742 -5.642 2.072 1.00 0.00 H new ATOM 358 N VAL A 21 -16.271 -1.708 -1.154 1.00 0.00 N ATOM 359 CA VAL A 21 -17.009 -0.527 -1.567 1.00 0.00 C ATOM 360 C VAL A 21 -18.399 -0.924 -2.030 1.00 0.00 C ATOM 361 O VAL A 21 -19.379 -0.266 -1.720 1.00 0.00 O ATOM 362 CB VAL A 21 -16.255 0.311 -2.657 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.251 -0.318 -4.046 1.00 0.00 C ATOM 364 CG2 VAL A 21 -16.698 1.759 -2.679 1.00 0.00 C ATOM 0 H VAL A 21 -15.469 -1.943 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.098 0.127 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.211 0.299 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.709 0.328 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -15.765 -1.293 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.277 -0.440 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.147 2.297 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -17.765 1.810 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.501 2.214 -1.708 1.00 0.00 H new ATOM 374 N GLU A 22 -18.474 -2.026 -2.728 1.00 0.00 N ATOM 375 CA GLU A 22 -19.752 -2.547 -3.179 1.00 0.00 C ATOM 376 C GLU A 22 -20.611 -3.065 -2.010 1.00 0.00 C ATOM 377 O GLU A 22 -21.836 -2.903 -2.010 1.00 0.00 O ATOM 378 CB GLU A 22 -19.584 -3.634 -4.227 1.00 0.00 C ATOM 379 CG GLU A 22 -18.808 -3.207 -5.457 1.00 0.00 C ATOM 380 CD GLU A 22 -18.849 -4.241 -6.546 1.00 0.00 C ATOM 381 OE1 GLU A 22 -18.327 -5.371 -6.360 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.453 -3.971 -7.603 1.00 0.00 O ATOM 0 H GLU A 22 -17.667 -2.587 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.276 -1.709 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.078 -4.485 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.571 -3.978 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.217 -2.269 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.771 -3.015 -5.181 1.00 0.00 H new ATOM 389 N LYS A 23 -19.967 -3.684 -1.023 1.00 0.00 N ATOM 390 CA LYS A 23 -20.686 -4.283 0.110 1.00 0.00 C ATOM 391 C LYS A 23 -21.123 -3.242 1.149 1.00 0.00 C ATOM 392 O LYS A 23 -22.212 -3.353 1.722 1.00 0.00 O ATOM 393 CB LYS A 23 -19.847 -5.377 0.793 1.00 0.00 C ATOM 394 CG LYS A 23 -19.369 -6.501 -0.128 1.00 0.00 C ATOM 395 CD LYS A 23 -20.501 -7.305 -0.774 1.00 0.00 C ATOM 396 CE LYS A 23 -21.287 -8.134 0.236 1.00 0.00 C ATOM 397 NZ LYS A 23 -22.307 -8.979 -0.424 1.00 0.00 N ATOM 0 H LYS A 23 -18.953 -3.786 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.586 -4.733 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.976 -4.910 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.436 -5.815 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.748 -6.072 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.736 -7.180 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.180 -6.622 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.084 -7.966 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.601 -8.766 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.772 -7.471 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.821 -9.528 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.976 -8.375 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.842 -9.629 -1.089 1.00 0.00 H new ATOM 411 N TYR A 24 -20.279 -2.260 1.415 1.00 0.00 N ATOM 412 CA TYR A 24 -20.607 -1.228 2.395 1.00 0.00 C ATOM 413 C TYR A 24 -21.404 -0.099 1.763 1.00 0.00 C ATOM 414 O TYR A 24 -22.380 0.396 2.346 1.00 0.00 O ATOM 415 CB TYR A 24 -19.349 -0.646 3.066 1.00 0.00 C ATOM 416 CG TYR A 24 -18.578 -1.597 3.954 1.00 0.00 C ATOM 417 CD1 TYR A 24 -19.222 -2.393 4.892 1.00 0.00 C ATOM 418 CD2 TYR A 24 -17.197 -1.684 3.862 1.00 0.00 C ATOM 419 CE1 TYR A 24 -18.511 -3.251 5.706 1.00 0.00 C ATOM 420 CE2 TYR A 24 -16.480 -2.534 4.675 1.00 0.00 C ATOM 421 CZ TYR A 24 -17.140 -3.314 5.595 1.00 0.00 C ATOM 422 OH TYR A 24 -16.422 -4.164 6.416 1.00 0.00 O ATOM 0 H TYR A 24 -19.367 -2.152 0.972 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.214 -1.714 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.679 -0.283 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.644 0.218 3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.297 -2.340 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -16.674 -1.074 3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -19.027 -3.869 6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -15.405 -2.587 4.590 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.467 -4.089 6.209 1.00 0.00 H new ATOM 432 N GLY A 25 -20.999 0.301 0.591 1.00 0.00 N ATOM 433 CA GLY A 25 -21.643 1.380 -0.088 1.00 0.00 C ATOM 434 C GLY A 25 -20.621 2.327 -0.651 1.00 0.00 C ATOM 435 O GLY A 25 -19.546 2.511 -0.064 1.00 0.00 O ATOM 0 H GLY A 25 -20.216 -0.112 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -22.269 0.991 -0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.300 1.911 0.600 1.00 0.00 H new ATOM 439 N PHE A 26 -20.926 2.904 -1.781 1.00 0.00 N ATOM 440 CA PHE A 26 -20.029 3.829 -2.428 1.00 0.00 C ATOM 441 C PHE A 26 -20.000 5.125 -1.643 1.00 0.00 C ATOM 442 O PHE A 26 -21.062 5.709 -1.350 1.00 0.00 O ATOM 443 CB PHE A 26 -20.439 4.058 -3.884 1.00 0.00 C ATOM 444 CG PHE A 26 -20.396 2.802 -4.721 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.215 2.390 -5.309 1.00 0.00 C ATOM 446 CD2 PHE A 26 -21.532 2.035 -4.908 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.167 1.238 -6.070 1.00 0.00 C ATOM 448 CE2 PHE A 26 -21.492 0.881 -5.667 1.00 0.00 C ATOM 449 CZ PHE A 26 -20.305 0.481 -6.248 1.00 0.00 C ATOM 0 H PHE A 26 -21.801 2.748 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.023 3.409 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -21.448 4.469 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -19.779 4.804 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.318 2.976 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -22.463 2.342 -4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.237 0.930 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -22.387 0.293 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.268 -0.422 -6.840 1.00 0.00 H new ATOM 459 N THR A 27 -18.797 5.561 -1.315 1.00 0.00 N ATOM 460 CA THR A 27 -18.550 6.683 -0.435 1.00 0.00 C ATOM 461 C THR A 27 -19.042 6.335 0.975 1.00 0.00 C ATOM 462 O THR A 27 -20.194 6.608 1.359 1.00 0.00 O ATOM 463 CB THR A 27 -19.178 8.000 -0.946 1.00 0.00 C ATOM 464 OG1 THR A 27 -18.815 8.183 -2.330 1.00 0.00 O ATOM 465 CG2 THR A 27 -18.668 9.190 -0.143 1.00 0.00 C ATOM 0 H THR A 27 -17.942 5.130 -1.665 1.00 0.00 H new ATOM 0 HA THR A 27 -17.475 6.863 -0.412 1.00 0.00 H new ATOM 0 HB THR A 27 -20.261 7.939 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 27 -19.210 9.015 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.123 10.106 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.931 9.060 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.584 9.257 -0.240 1.00 0.00 H new ATOM 473 N HIS A 28 -18.191 5.653 1.687 1.00 0.00 N ATOM 474 CA HIS A 28 -18.462 5.178 3.016 1.00 0.00 C ATOM 475 C HIS A 28 -17.238 5.503 3.860 1.00 0.00 C ATOM 476 O HIS A 28 -16.114 5.402 3.362 1.00 0.00 O ATOM 477 CB HIS A 28 -18.741 3.650 2.962 1.00 0.00 C ATOM 478 CG HIS A 28 -19.023 2.990 4.280 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.277 2.826 4.809 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.172 2.435 5.162 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.153 2.193 5.972 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.881 1.932 6.237 1.00 0.00 N ATOM 0 H HIS A 28 -17.261 5.404 1.350 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.341 5.652 3.453 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.591 3.478 2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -17.881 3.159 2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.099 2.389 5.048 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.979 1.927 6.615 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -18.505 1.460 7.059 1.00 0.00 H new ATOM 490 N HIS A 29 -17.444 5.875 5.108 1.00 0.00 N ATOM 491 CA HIS A 29 -16.358 6.328 5.989 1.00 0.00 C ATOM 492 C HIS A 29 -15.197 5.320 6.104 1.00 0.00 C ATOM 493 O HIS A 29 -14.030 5.712 6.059 1.00 0.00 O ATOM 494 CB HIS A 29 -16.883 6.776 7.388 1.00 0.00 C ATOM 495 CG HIS A 29 -17.587 5.715 8.206 1.00 0.00 C ATOM 496 ND1 HIS A 29 -18.956 5.564 8.266 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.075 4.760 9.019 1.00 0.00 C ATOM 498 CE1 HIS A 29 -19.233 4.557 9.084 1.00 0.00 C ATOM 499 NE2 HIS A 29 -18.116 4.022 9.576 1.00 0.00 N ATOM 0 H HIS A 29 -18.363 5.876 5.550 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.937 7.209 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.039 7.152 7.967 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.569 7.611 7.246 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -19.641 6.131 7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -16.024 4.597 9.206 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.230 4.216 9.320 1.00 0.00 H new ATOM 507 N LYS A 30 -15.513 4.032 6.185 1.00 0.00 N ATOM 508 CA LYS A 30 -14.476 3.011 6.316 1.00 0.00 C ATOM 509 C LYS A 30 -13.672 2.848 5.041 1.00 0.00 C ATOM 510 O LYS A 30 -12.451 2.725 5.092 1.00 0.00 O ATOM 511 CB LYS A 30 -15.038 1.657 6.759 1.00 0.00 C ATOM 512 CG LYS A 30 -15.746 1.680 8.098 1.00 0.00 C ATOM 513 CD LYS A 30 -16.188 0.289 8.507 1.00 0.00 C ATOM 514 CE LYS A 30 -16.917 0.298 9.843 1.00 0.00 C ATOM 515 NZ LYS A 30 -18.187 1.059 9.793 1.00 0.00 N ATOM 0 H LYS A 30 -16.467 3.671 6.163 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.808 3.369 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.734 1.301 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.221 0.936 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.081 2.091 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.613 2.339 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.841 -0.125 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.318 -0.365 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.124 -0.728 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.268 0.731 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.740 0.869 10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.980 2.076 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.734 0.767 8.958 1.00 0.00 H new ATOM 529 N VAL A 31 -14.339 2.894 3.887 1.00 0.00 N ATOM 530 CA VAL A 31 -13.637 2.687 2.624 1.00 0.00 C ATOM 531 C VAL A 31 -12.686 3.835 2.333 1.00 0.00 C ATOM 532 O VAL A 31 -11.610 3.629 1.786 1.00 0.00 O ATOM 533 CB VAL A 31 -14.566 2.390 1.407 1.00 0.00 C ATOM 534 CG1 VAL A 31 -15.443 1.178 1.671 1.00 0.00 C ATOM 535 CG2 VAL A 31 -15.402 3.590 0.987 1.00 0.00 C ATOM 0 H VAL A 31 -15.340 3.068 3.802 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.056 1.775 2.762 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.908 2.166 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.080 0.995 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.814 0.306 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -16.065 1.363 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.026 3.318 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.036 3.901 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -14.743 4.412 0.706 1.00 0.00 H new ATOM 545 N ILE A 32 -13.069 5.027 2.763 1.00 0.00 N ATOM 546 CA ILE A 32 -12.226 6.207 2.636 1.00 0.00 C ATOM 547 C ILE A 32 -10.934 6.002 3.443 1.00 0.00 C ATOM 548 O ILE A 32 -9.832 6.296 2.961 1.00 0.00 O ATOM 549 CB ILE A 32 -12.973 7.493 3.116 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.235 7.722 2.264 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.057 8.716 3.052 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.087 8.900 2.703 1.00 0.00 C ATOM 0 H ILE A 32 -13.969 5.204 3.208 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.978 6.346 1.584 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.269 7.348 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.935 7.873 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.845 6.819 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.602 9.597 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.191 8.556 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.725 8.868 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.954 8.986 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.422 8.745 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.498 9.816 2.648 1.00 0.00 H new ATOM 564 N SER A 33 -11.072 5.446 4.642 1.00 0.00 N ATOM 565 CA SER A 33 -9.930 5.154 5.489 1.00 0.00 C ATOM 566 C SER A 33 -9.031 4.087 4.834 1.00 0.00 C ATOM 567 O SER A 33 -7.799 4.208 4.832 1.00 0.00 O ATOM 568 CB SER A 33 -10.423 4.681 6.857 1.00 0.00 C ATOM 569 OG SER A 33 -11.343 5.620 7.404 1.00 0.00 O ATOM 0 H SER A 33 -11.972 5.188 5.048 1.00 0.00 H new ATOM 0 HA SER A 33 -9.336 6.059 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.902 3.706 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.577 4.555 7.532 1.00 0.00 H new ATOM 0 HG SER A 33 -12.206 5.537 6.947 1.00 0.00 H new ATOM 575 N PHE A 34 -9.655 3.071 4.235 1.00 0.00 N ATOM 576 CA PHE A 34 -8.910 2.007 3.570 1.00 0.00 C ATOM 577 C PHE A 34 -8.183 2.556 2.345 1.00 0.00 C ATOM 578 O PHE A 34 -7.052 2.148 2.042 1.00 0.00 O ATOM 579 CB PHE A 34 -9.829 0.840 3.144 1.00 0.00 C ATOM 580 CG PHE A 34 -10.636 0.210 4.254 1.00 0.00 C ATOM 581 CD1 PHE A 34 -10.130 0.101 5.541 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.919 -0.251 4.005 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.887 -0.462 6.550 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.679 -0.811 5.012 1.00 0.00 C ATOM 585 CZ PHE A 34 -12.163 -0.916 6.284 1.00 0.00 C ATOM 0 H PHE A 34 -10.669 2.965 4.198 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.185 1.623 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.516 1.202 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.215 0.067 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.134 0.460 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.330 -0.171 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.480 -0.547 7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.677 -1.166 4.802 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.756 -1.353 7.073 1.00 0.00 H new ATOM 595 N SER A 35 -8.832 3.485 1.661 1.00 0.00 N ATOM 596 CA SER A 35 -8.289 4.120 0.484 1.00 0.00 C ATOM 597 C SER A 35 -7.042 4.922 0.836 1.00 0.00 C ATOM 598 O SER A 35 -6.030 4.844 0.132 1.00 0.00 O ATOM 599 CB SER A 35 -9.357 5.001 -0.188 1.00 0.00 C ATOM 600 OG SER A 35 -8.881 5.586 -1.390 1.00 0.00 O ATOM 0 H SER A 35 -9.762 3.819 1.916 1.00 0.00 H new ATOM 0 HA SER A 35 -7.995 3.350 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.241 4.400 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.665 5.787 0.501 1.00 0.00 H new ATOM 0 HG SER A 35 -9.587 6.136 -1.788 1.00 0.00 H new ATOM 606 N GLN A 36 -7.097 5.648 1.937 1.00 0.00 N ATOM 607 CA GLN A 36 -5.964 6.440 2.394 1.00 0.00 C ATOM 608 C GLN A 36 -4.773 5.557 2.750 1.00 0.00 C ATOM 609 O GLN A 36 -3.617 5.934 2.519 1.00 0.00 O ATOM 610 CB GLN A 36 -6.367 7.344 3.553 1.00 0.00 C ATOM 611 CG GLN A 36 -7.340 8.432 3.132 1.00 0.00 C ATOM 612 CD GLN A 36 -7.827 9.284 4.282 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.134 9.474 5.283 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.999 9.830 4.139 1.00 0.00 N ATOM 0 H GLN A 36 -7.920 5.707 2.537 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.648 7.081 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.820 6.741 4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.475 7.804 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.858 9.073 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.198 7.971 2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.546 9.651 3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.371 10.437 4.869 1.00 0.00 H new ATOM 623 N GLU A 37 -5.058 4.375 3.270 1.00 0.00 N ATOM 624 CA GLU A 37 -4.020 3.400 3.563 1.00 0.00 C ATOM 625 C GLU A 37 -3.412 2.860 2.289 1.00 0.00 C ATOM 626 O GLU A 37 -2.194 2.830 2.145 1.00 0.00 O ATOM 627 CB GLU A 37 -4.552 2.270 4.439 1.00 0.00 C ATOM 628 CG GLU A 37 -4.622 2.630 5.905 1.00 0.00 C ATOM 629 CD GLU A 37 -3.236 2.793 6.501 1.00 0.00 C ATOM 630 OE1 GLU A 37 -2.631 3.867 6.362 1.00 0.00 O ATOM 631 OE2 GLU A 37 -2.715 1.823 7.117 1.00 0.00 O ATOM 0 H GLU A 37 -6.003 4.066 3.499 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.235 3.908 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.547 1.990 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.914 1.395 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.184 3.556 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.164 1.854 6.446 1.00 0.00 H new ATOM 638 N LEU A 38 -4.268 2.475 1.350 1.00 0.00 N ATOM 639 CA LEU A 38 -3.829 1.958 0.050 1.00 0.00 C ATOM 640 C LEU A 38 -2.966 3.017 -0.635 1.00 0.00 C ATOM 641 O LEU A 38 -1.912 2.715 -1.181 1.00 0.00 O ATOM 642 CB LEU A 38 -5.080 1.598 -0.809 1.00 0.00 C ATOM 643 CG LEU A 38 -4.880 0.847 -2.160 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.216 0.355 -2.660 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.260 1.732 -3.239 1.00 0.00 C ATOM 0 H LEU A 38 -5.281 2.510 1.462 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.233 1.054 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.740 0.991 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.609 2.526 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.197 0.020 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.080 -0.171 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.651 -0.324 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.883 1.204 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.144 1.158 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.909 2.587 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.284 2.084 -2.905 1.00 0.00 H new ATOM 657 N ASP A 39 -3.414 4.252 -0.547 1.00 0.00 N ATOM 658 CA ASP A 39 -2.741 5.397 -1.145 1.00 0.00 C ATOM 659 C ASP A 39 -1.356 5.593 -0.537 1.00 0.00 C ATOM 660 O ASP A 39 -0.384 5.855 -1.244 1.00 0.00 O ATOM 661 CB ASP A 39 -3.588 6.650 -0.934 1.00 0.00 C ATOM 662 CG ASP A 39 -3.019 7.871 -1.596 1.00 0.00 C ATOM 663 OD1 ASP A 39 -3.253 8.058 -2.809 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.374 8.680 -0.916 1.00 0.00 O ATOM 0 H ASP A 39 -4.270 4.498 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.619 5.213 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.592 6.471 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.686 6.838 0.135 1.00 0.00 H new ATOM 669 N ARG A 40 -1.271 5.416 0.771 1.00 0.00 N ATOM 670 CA ARG A 40 -0.020 5.568 1.494 1.00 0.00 C ATOM 671 C ARG A 40 0.959 4.445 1.126 1.00 0.00 C ATOM 672 O ARG A 40 2.141 4.692 0.891 1.00 0.00 O ATOM 673 CB ARG A 40 -0.272 5.600 3.006 1.00 0.00 C ATOM 674 CG ARG A 40 0.979 5.823 3.833 1.00 0.00 C ATOM 675 CD ARG A 40 0.674 5.875 5.324 1.00 0.00 C ATOM 676 NE ARG A 40 0.040 4.640 5.817 1.00 0.00 N ATOM 677 CZ ARG A 40 0.688 3.610 6.376 1.00 0.00 C ATOM 678 NH1 ARG A 40 2.032 3.587 6.426 1.00 0.00 N ATOM 679 NH2 ARG A 40 -0.007 2.596 6.860 1.00 0.00 N ATOM 0 H ARG A 40 -2.065 5.164 1.360 1.00 0.00 H new ATOM 0 HA ARG A 40 0.431 6.517 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.988 6.391 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.732 4.659 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.692 5.022 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.455 6.755 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.599 6.049 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.018 6.722 5.527 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.973 4.563 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.570 4.360 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.513 2.796 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.026 2.604 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.475 1.806 7.288 1.00 0.00 H new ATOM 693 N LEU A 41 0.457 3.221 1.047 1.00 0.00 N ATOM 694 CA LEU A 41 1.290 2.087 0.648 1.00 0.00 C ATOM 695 C LEU A 41 1.704 2.206 -0.815 1.00 0.00 C ATOM 696 O LEU A 41 2.822 1.854 -1.184 1.00 0.00 O ATOM 697 CB LEU A 41 0.623 0.723 0.936 1.00 0.00 C ATOM 698 CG LEU A 41 0.711 0.172 2.384 1.00 0.00 C ATOM 699 CD1 LEU A 41 0.061 1.088 3.403 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.101 -1.221 2.455 1.00 0.00 C ATOM 0 H LEU A 41 -0.514 2.985 1.251 1.00 0.00 H new ATOM 0 HA LEU A 41 2.189 2.123 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.431 0.802 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.066 -0.015 0.268 1.00 0.00 H new ATOM 0 HG LEU A 41 1.769 0.119 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.154 0.650 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.555 2.059 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.994 1.213 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.169 -1.596 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.946 -1.176 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.642 -1.890 1.786 1.00 0.00 H new ATOM 712 N LEU A 42 0.805 2.720 -1.638 1.00 0.00 N ATOM 713 CA LEU A 42 1.096 2.983 -3.044 1.00 0.00 C ATOM 714 C LEU A 42 2.227 3.986 -3.140 1.00 0.00 C ATOM 715 O LEU A 42 3.154 3.843 -3.947 1.00 0.00 O ATOM 716 CB LEU A 42 -0.135 3.561 -3.742 1.00 0.00 C ATOM 717 CG LEU A 42 0.057 3.960 -5.203 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.286 2.742 -6.083 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.109 4.797 -5.688 1.00 0.00 C ATOM 0 H LEU A 42 -0.144 2.967 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 42 1.377 2.047 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.939 2.827 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.467 4.438 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 42 0.954 4.575 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.419 3.060 -7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.179 2.214 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.575 2.077 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.952 5.070 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.031 4.223 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.184 5.701 -5.084 1.00 0.00 H new ATOM 731 N ASN A 43 2.157 4.984 -2.281 1.00 0.00 N ATOM 732 CA ASN A 43 3.148 6.025 -2.225 1.00 0.00 C ATOM 733 C ASN A 43 4.501 5.447 -1.834 1.00 0.00 C ATOM 734 O ASN A 43 5.520 5.902 -2.316 1.00 0.00 O ATOM 735 CB ASN A 43 2.742 7.112 -1.237 1.00 0.00 C ATOM 736 CG ASN A 43 3.619 8.347 -1.323 1.00 0.00 C ATOM 737 OD1 ASN A 43 3.899 8.993 -0.313 1.00 0.00 O ATOM 738 ND2 ASN A 43 3.998 8.726 -2.523 1.00 0.00 N ATOM 0 H ASN A 43 1.404 5.090 -1.601 1.00 0.00 H new ATOM 0 HA ASN A 43 3.224 6.472 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.706 7.395 -1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.787 6.711 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.542 9.581 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.748 8.166 -3.338 1.00 0.00 H new ATOM 745 N LEU A 44 4.490 4.416 -0.987 1.00 0.00 N ATOM 746 CA LEU A 44 5.711 3.719 -0.557 1.00 0.00 C ATOM 747 C LEU A 44 6.504 3.188 -1.744 1.00 0.00 C ATOM 748 O LEU A 44 7.725 3.328 -1.786 1.00 0.00 O ATOM 749 CB LEU A 44 5.388 2.573 0.420 1.00 0.00 C ATOM 750 CG LEU A 44 4.929 2.971 1.826 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.591 1.733 2.641 1.00 0.00 C ATOM 752 CD2 LEU A 44 6.012 3.777 2.529 1.00 0.00 C ATOM 0 H LEU A 44 3.636 4.038 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 44 6.327 4.453 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.611 1.954 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.276 1.949 0.517 1.00 0.00 H new ATOM 0 HG LEU A 44 4.035 3.588 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.266 2.031 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.791 1.181 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.473 1.098 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.671 4.052 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.919 3.177 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.223 4.680 1.956 1.00 0.00 H new ATOM 764 N LEU A 45 5.808 2.624 -2.726 1.00 0.00 N ATOM 765 CA LEU A 45 6.465 2.096 -3.929 1.00 0.00 C ATOM 766 C LEU A 45 7.203 3.213 -4.664 1.00 0.00 C ATOM 767 O LEU A 45 8.299 3.007 -5.208 1.00 0.00 O ATOM 768 CB LEU A 45 5.447 1.458 -4.885 1.00 0.00 C ATOM 769 CG LEU A 45 4.652 0.260 -4.365 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.692 -0.225 -5.440 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.583 -0.872 -3.938 1.00 0.00 C ATOM 0 H LEU A 45 4.794 2.518 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 45 7.174 1.333 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.737 2.229 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.978 1.146 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 45 4.084 0.576 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.127 -1.079 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.004 0.578 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.256 -0.523 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.991 -1.711 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.180 -1.193 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.243 -0.521 -3.145 1.00 0.00 H new ATOM 783 N ILE A 46 6.589 4.372 -4.686 1.00 0.00 N ATOM 784 CA ILE A 46 7.148 5.545 -5.332 1.00 0.00 C ATOM 785 C ILE A 46 8.295 6.101 -4.488 1.00 0.00 C ATOM 786 O ILE A 46 9.407 6.298 -4.975 1.00 0.00 O ATOM 787 CB ILE A 46 6.071 6.649 -5.483 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.794 6.067 -6.106 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.607 7.795 -6.344 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.640 7.037 -6.168 1.00 0.00 C ATOM 0 H ILE A 46 5.679 4.533 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 46 7.509 5.252 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 46 5.829 7.038 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.020 5.723 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.489 5.192 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.841 8.565 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.492 8.222 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.870 7.416 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.778 6.548 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.384 7.363 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.923 7.902 -6.768 1.00 0.00 H new ATOM 802 N GLU A 47 8.008 6.295 -3.214 1.00 0.00 N ATOM 803 CA GLU A 47 8.917 6.884 -2.248 1.00 0.00 C ATOM 804 C GLU A 47 10.226 6.122 -2.173 1.00 0.00 C ATOM 805 O GLU A 47 11.307 6.706 -2.333 1.00 0.00 O ATOM 806 CB GLU A 47 8.271 6.904 -0.863 1.00 0.00 C ATOM 807 CG GLU A 47 9.127 7.579 0.179 1.00 0.00 C ATOM 808 CD GLU A 47 8.574 7.489 1.562 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.458 7.984 1.806 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.273 6.945 2.446 1.00 0.00 O ATOM 0 H GLU A 47 7.107 6.039 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 47 9.128 7.901 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.311 7.417 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.066 5.880 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.121 7.131 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.247 8.629 -0.087 1.00 0.00 H new ATOM 817 N LEU A 48 10.122 4.823 -1.958 1.00 0.00 N ATOM 818 CA LEU A 48 11.279 3.976 -1.811 1.00 0.00 C ATOM 819 C LEU A 48 12.172 3.994 -3.028 1.00 0.00 C ATOM 820 O LEU A 48 13.379 4.088 -2.885 1.00 0.00 O ATOM 821 CB LEU A 48 10.914 2.546 -1.375 1.00 0.00 C ATOM 822 CG LEU A 48 10.745 2.291 0.145 1.00 0.00 C ATOM 823 CD1 LEU A 48 12.043 2.573 0.889 1.00 0.00 C ATOM 824 CD2 LEU A 48 9.609 3.109 0.744 1.00 0.00 C ATOM 0 H LEU A 48 9.232 4.331 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 48 11.863 4.405 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.983 2.269 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.686 1.872 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 48 10.489 1.238 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.900 2.387 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.829 1.921 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.330 3.613 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.530 2.896 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.810 4.171 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.673 2.847 0.251 1.00 0.00 H new ATOM 836 N LYS A 49 11.588 3.974 -4.216 1.00 0.00 N ATOM 837 CA LYS A 49 12.394 4.022 -5.431 1.00 0.00 C ATOM 838 C LYS A 49 13.038 5.381 -5.620 1.00 0.00 C ATOM 839 O LYS A 49 14.152 5.478 -6.136 1.00 0.00 O ATOM 840 CB LYS A 49 11.619 3.625 -6.690 1.00 0.00 C ATOM 841 CG LYS A 49 11.231 2.156 -6.752 1.00 0.00 C ATOM 842 CD LYS A 49 10.784 1.754 -8.159 1.00 0.00 C ATOM 843 CE LYS A 49 9.470 2.407 -8.597 1.00 0.00 C ATOM 844 NZ LYS A 49 8.314 1.924 -7.806 1.00 0.00 N ATOM 0 H LYS A 49 10.580 3.926 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 49 13.176 3.276 -5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.714 4.230 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.223 3.866 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.079 1.541 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.426 1.961 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.567 2.021 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.672 0.670 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.552 3.489 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.298 2.200 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.433 2.126 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.400 0.898 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.297 2.408 -6.886 1.00 0.00 H new ATOM 858 N THR A 50 12.347 6.421 -5.200 1.00 0.00 N ATOM 859 CA THR A 50 12.862 7.763 -5.303 1.00 0.00 C ATOM 860 C THR A 50 14.089 7.946 -4.405 1.00 0.00 C ATOM 861 O THR A 50 15.078 8.572 -4.808 1.00 0.00 O ATOM 862 CB THR A 50 11.767 8.803 -4.968 1.00 0.00 C ATOM 863 OG1 THR A 50 10.646 8.590 -5.844 1.00 0.00 O ATOM 864 CG2 THR A 50 12.283 10.229 -5.161 1.00 0.00 C ATOM 0 H THR A 50 11.419 6.357 -4.781 1.00 0.00 H new ATOM 0 HA THR A 50 13.173 7.927 -6.335 1.00 0.00 H new ATOM 0 HB THR A 50 11.475 8.680 -3.925 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.089 7.865 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.492 10.938 -4.918 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.137 10.399 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.589 10.368 -6.198 1.00 0.00 H new ATOM 872 N LYS A 51 14.053 7.379 -3.216 1.00 0.00 N ATOM 873 CA LYS A 51 15.176 7.506 -2.344 1.00 0.00 C ATOM 874 C LYS A 51 16.237 6.446 -2.645 1.00 0.00 C ATOM 875 O LYS A 51 17.328 6.799 -3.080 1.00 0.00 O ATOM 876 CB LYS A 51 14.738 7.534 -0.847 1.00 0.00 C ATOM 877 CG LYS A 51 13.816 6.394 -0.409 1.00 0.00 C ATOM 878 CD LYS A 51 13.300 6.567 1.025 1.00 0.00 C ATOM 879 CE LYS A 51 12.551 7.891 1.208 1.00 0.00 C ATOM 880 NZ LYS A 51 11.860 7.979 2.516 1.00 0.00 N ATOM 0 H LYS A 51 13.270 6.839 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 51 15.648 8.470 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.632 7.514 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.234 8.481 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.968 6.336 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.353 5.448 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.638 5.738 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.139 6.526 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.255 8.718 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.821 8.005 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.770 8.977 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.914 7.554 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.411 7.468 3.235 1.00 0.00 H new ATOM 894 N LYS A 52 15.870 5.150 -2.505 1.00 0.00 N ATOM 895 CA LYS A 52 16.746 3.920 -2.663 1.00 0.00 C ATOM 896 C LYS A 52 18.159 3.982 -2.013 1.00 0.00 C ATOM 897 O LYS A 52 18.920 3.032 -2.062 1.00 0.00 O ATOM 898 CB LYS A 52 16.800 3.399 -4.107 1.00 0.00 C ATOM 899 CG LYS A 52 17.418 4.331 -5.120 1.00 0.00 C ATOM 900 CD LYS A 52 17.452 3.671 -6.479 1.00 0.00 C ATOM 901 CE LYS A 52 18.134 4.538 -7.505 1.00 0.00 C ATOM 902 NZ LYS A 52 18.186 3.886 -8.822 1.00 0.00 N ATOM 0 H LYS A 52 14.910 4.900 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 52 16.218 3.183 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.359 2.463 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.784 3.167 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.845 5.257 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.429 4.598 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.972 2.716 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.434 3.455 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.604 5.487 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.146 4.767 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.662 4.513 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.713 2.993 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.219 3.690 -9.151 1.00 0.00 H new ATOM 916 N LYS A 53 18.453 5.082 -1.401 1.00 0.00 N ATOM 917 CA LYS A 53 19.689 5.340 -0.723 1.00 0.00 C ATOM 918 C LYS A 53 19.607 4.827 0.699 1.00 0.00 C ATOM 919 O LYS A 53 20.612 4.718 1.407 1.00 0.00 O ATOM 920 CB LYS A 53 19.936 6.843 -0.755 1.00 0.00 C ATOM 921 CG LYS A 53 18.758 7.674 -0.210 1.00 0.00 C ATOM 922 CD LYS A 53 19.025 9.165 -0.294 1.00 0.00 C ATOM 923 CE LYS A 53 20.125 9.602 0.657 1.00 0.00 C ATOM 924 NZ LYS A 53 19.740 9.467 2.072 1.00 0.00 N ATOM 0 H LYS A 53 17.806 5.869 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 53 20.517 4.827 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 53 20.829 7.068 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.140 7.147 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.856 7.435 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.569 7.398 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.304 9.426 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.110 9.710 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 21.019 9.007 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.385 10.641 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.433 9.961 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.798 9.884 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.716 8.460 2.331 1.00 0.00 H new ATOM 938 N ARG A 54 18.394 4.527 1.111 1.00 0.00 N ATOM 939 CA ARG A 54 18.159 3.948 2.389 1.00 0.00 C ATOM 940 C ARG A 54 18.395 2.461 2.303 1.00 0.00 C ATOM 941 O ARG A 54 18.085 1.821 1.288 1.00 0.00 O ATOM 942 CB ARG A 54 16.753 4.268 2.918 1.00 0.00 C ATOM 943 CG ARG A 54 16.681 5.511 3.802 1.00 0.00 C ATOM 944 CD ARG A 54 17.432 5.273 5.111 1.00 0.00 C ATOM 945 NE ARG A 54 17.349 6.400 6.037 1.00 0.00 N ATOM 946 CZ ARG A 54 17.645 6.338 7.350 1.00 0.00 C ATOM 947 NH1 ARG A 54 18.029 5.187 7.902 1.00 0.00 N ATOM 948 NH2 ARG A 54 17.565 7.425 8.096 1.00 0.00 N ATOM 0 H ARG A 54 17.551 4.683 0.559 1.00 0.00 H new ATOM 0 HA ARG A 54 18.856 4.383 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.080 4.400 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.387 3.412 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.111 6.364 3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.640 5.757 4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.031 4.383 5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.480 5.070 4.889 1.00 0.00 H new ATOM 0 HE ARG A 54 17.045 7.299 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.100 4.346 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.252 5.148 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.279 8.310 7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.789 7.379 9.090 1.00 0.00 H new ATOM 962 N TYR A 55 18.888 1.905 3.372 1.00 0.00 N ATOM 963 CA TYR A 55 19.310 0.519 3.412 1.00 0.00 C ATOM 964 C TYR A 55 18.143 -0.444 3.540 1.00 0.00 C ATOM 965 O TYR A 55 18.332 -1.631 3.675 1.00 0.00 O ATOM 966 CB TYR A 55 20.332 0.321 4.532 1.00 0.00 C ATOM 967 CG TYR A 55 21.558 1.186 4.344 1.00 0.00 C ATOM 968 CD1 TYR A 55 22.605 0.760 3.553 1.00 0.00 C ATOM 969 CD2 TYR A 55 21.650 2.443 4.932 1.00 0.00 C ATOM 970 CE1 TYR A 55 23.707 1.549 3.347 1.00 0.00 C ATOM 971 CE2 TYR A 55 22.758 3.242 4.735 1.00 0.00 C ATOM 972 CZ TYR A 55 23.782 2.789 3.938 1.00 0.00 C ATOM 973 OH TYR A 55 24.885 3.585 3.714 1.00 0.00 O ATOM 0 H TYR A 55 19.013 2.400 4.255 1.00 0.00 H new ATOM 0 HA TYR A 55 19.783 0.286 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.868 0.554 5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.630 -0.727 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.556 -0.213 3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 55 20.841 2.800 5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.515 1.198 2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 55 22.820 4.214 5.203 1.00 0.00 H new ATOM 0 HH TYR A 55 24.784 4.429 4.202 1.00 0.00 H new ATOM 983 N SER A 56 16.957 0.078 3.432 1.00 0.00 N ATOM 984 CA SER A 56 15.754 -0.688 3.507 1.00 0.00 C ATOM 985 C SER A 56 15.501 -1.461 2.209 1.00 0.00 C ATOM 986 O SER A 56 14.925 -2.548 2.227 1.00 0.00 O ATOM 987 CB SER A 56 14.627 0.258 3.838 1.00 0.00 C ATOM 988 OG SER A 56 14.792 1.453 3.086 1.00 0.00 O ATOM 0 H SER A 56 16.798 1.075 3.285 1.00 0.00 H new ATOM 0 HA SER A 56 15.834 -1.444 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.667 -0.204 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.624 0.482 4.905 1.00 0.00 H new ATOM 0 HG SER A 56 14.062 2.074 3.294 1.00 0.00 H new ATOM 994 N LEU A 57 15.921 -0.896 1.090 1.00 0.00 N ATOM 995 CA LEU A 57 15.807 -1.590 -0.188 1.00 0.00 C ATOM 996 C LEU A 57 17.069 -2.345 -0.459 1.00 0.00 C ATOM 997 O LEU A 57 17.064 -3.413 -1.070 1.00 0.00 O ATOM 998 CB LEU A 57 15.599 -0.622 -1.352 1.00 0.00 C ATOM 999 CG LEU A 57 14.349 0.229 -1.344 1.00 0.00 C ATOM 1000 CD1 LEU A 57 14.268 1.009 -2.639 1.00 0.00 C ATOM 1001 CD2 LEU A 57 13.119 -0.636 -1.169 1.00 0.00 C ATOM 0 H LEU A 57 16.341 0.032 1.036 1.00 0.00 H new ATOM 0 HA LEU A 57 14.945 -2.253 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.459 0.046 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 57 15.604 -1.202 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 57 14.393 0.925 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.368 1.624 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.145 1.649 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.232 0.316 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.229 -0.007 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.056 -1.349 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.185 -1.176 -0.224 1.00 0.00 H new ATOM 1013 N LEU A 58 18.143 -1.780 0.002 1.00 0.00 N ATOM 1014 CA LEU A 58 19.457 -2.292 -0.258 1.00 0.00 C ATOM 1015 C LEU A 58 19.757 -3.503 0.595 1.00 0.00 C ATOM 1016 O LEU A 58 19.888 -4.617 0.090 1.00 0.00 O ATOM 1017 CB LEU A 58 20.485 -1.200 0.016 1.00 0.00 C ATOM 1018 CG LEU A 58 20.286 0.114 -0.735 1.00 0.00 C ATOM 1019 CD1 LEU A 58 21.262 1.151 -0.234 1.00 0.00 C ATOM 1020 CD2 LEU A 58 20.453 -0.091 -2.233 1.00 0.00 C ATOM 0 H LEU A 58 18.133 -0.938 0.578 1.00 0.00 H new ATOM 0 HA LEU A 58 19.506 -2.599 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 58 20.483 -0.988 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.473 -1.589 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 58 19.271 0.467 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.111 2.084 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.099 1.320 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 58 22.281 0.799 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.307 0.858 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.456 -0.466 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.716 -0.813 -2.586 1.00 0.00 H new ATOM 1032 N GLU A 59 19.784 -3.299 1.874 1.00 0.00 N ATOM 1033 CA GLU A 59 20.220 -4.297 2.795 1.00 0.00 C ATOM 1034 C GLU A 59 19.006 -4.802 3.534 1.00 0.00 C ATOM 1035 O GLU A 59 17.866 -4.619 3.077 1.00 0.00 O ATOM 1036 CB GLU A 59 21.187 -3.649 3.800 1.00 0.00 C ATOM 1037 CG GLU A 59 22.299 -2.820 3.170 1.00 0.00 C ATOM 1038 CD GLU A 59 23.200 -3.611 2.267 1.00 0.00 C ATOM 1039 OE1 GLU A 59 24.009 -4.404 2.773 1.00 0.00 O ATOM 1040 OE2 GLU A 59 23.125 -3.446 1.028 1.00 0.00 O ATOM 0 H GLU A 59 19.500 -2.423 2.312 1.00 0.00 H new ATOM 0 HA GLU A 59 20.721 -5.115 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.615 -3.012 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.637 -4.434 4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.854 -2.003 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.897 -2.368 3.961 1.00 0.00 H new ATOM 1047 N HIS A 60 19.233 -5.436 4.633 1.00 0.00 N ATOM 1048 CA HIS A 60 18.172 -5.862 5.494 1.00 0.00 C ATOM 1049 C HIS A 60 17.780 -4.675 6.350 1.00 0.00 C ATOM 1050 O HIS A 60 18.642 -3.867 6.729 1.00 0.00 O ATOM 1051 CB HIS A 60 18.604 -7.066 6.387 1.00 0.00 C ATOM 1052 CG HIS A 60 19.702 -6.783 7.397 1.00 0.00 C ATOM 1053 ND1 HIS A 60 21.045 -6.974 7.161 1.00 0.00 N ATOM 1054 CD2 HIS A 60 19.612 -6.321 8.670 1.00 0.00 C ATOM 1055 CE1 HIS A 60 21.715 -6.629 8.266 1.00 0.00 C ATOM 1056 NE2 HIS A 60 20.884 -6.223 9.220 1.00 0.00 N ATOM 0 H HIS A 60 20.166 -5.678 4.966 1.00 0.00 H new ATOM 0 HA HIS A 60 17.327 -6.206 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 60 17.727 -7.428 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 60 18.935 -7.875 5.736 1.00 0.00 H new ATOM 0 HD2 HIS A 60 18.693 -6.068 9.177 1.00 0.00 H new ATOM 0 HE1 HIS A 60 22.789 -6.674 8.369 1.00 0.00 H new ATOM 0 HE2 HIS A 60 21.128 -5.906 10.158 1.00 0.00 H new ATOM 1064 N HIS A 61 16.534 -4.531 6.636 1.00 0.00 N ATOM 1065 CA HIS A 61 16.123 -3.441 7.459 1.00 0.00 C ATOM 1066 C HIS A 61 15.766 -3.954 8.832 1.00 0.00 C ATOM 1067 O HIS A 61 14.656 -4.437 9.062 1.00 0.00 O ATOM 1068 CB HIS A 61 14.967 -2.653 6.830 1.00 0.00 C ATOM 1069 CG HIS A 61 14.639 -1.381 7.560 1.00 0.00 C ATOM 1070 ND1 HIS A 61 15.393 -0.228 7.480 1.00 0.00 N ATOM 1071 CD2 HIS A 61 13.628 -1.100 8.407 1.00 0.00 C ATOM 1072 CE1 HIS A 61 14.828 0.688 8.263 1.00 0.00 C ATOM 1073 NE2 HIS A 61 13.751 0.209 8.850 1.00 0.00 N ATOM 0 H HIS A 61 15.785 -5.146 6.318 1.00 0.00 H new ATOM 0 HA HIS A 61 16.954 -2.742 7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.221 -2.414 5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.080 -3.285 6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.845 -1.786 8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 61 15.203 1.692 8.399 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.134 0.700 9.497 1.00 0.00 H new ATOM 1081 N HIS A 62 16.713 -3.900 9.715 1.00 0.00 N ATOM 1082 CA HIS A 62 16.518 -4.348 11.061 1.00 0.00 C ATOM 1083 C HIS A 62 17.125 -3.316 11.975 1.00 0.00 C ATOM 1084 O HIS A 62 18.352 -3.152 12.020 1.00 0.00 O ATOM 1085 CB HIS A 62 17.165 -5.734 11.284 1.00 0.00 C ATOM 1086 CG HIS A 62 16.819 -6.379 12.606 1.00 0.00 C ATOM 1087 ND1 HIS A 62 15.943 -7.434 12.739 1.00 0.00 N ATOM 1088 CD2 HIS A 62 17.256 -6.100 13.860 1.00 0.00 C ATOM 1089 CE1 HIS A 62 15.866 -7.755 14.029 1.00 0.00 C ATOM 1090 NE2 HIS A 62 16.652 -6.969 14.761 1.00 0.00 N ATOM 0 H HIS A 62 17.649 -3.542 9.523 1.00 0.00 H new ATOM 0 HA HIS A 62 15.454 -4.461 11.271 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.857 -6.399 10.477 1.00 0.00 H new ATOM 0 HB3 HIS A 62 18.248 -5.631 11.216 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.962 -5.325 14.117 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.249 -8.547 14.428 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.784 -6.998 15.772 1.00 0.00 H new ATOM 1098 N HIS A 63 16.285 -2.605 12.655 1.00 0.00 N ATOM 1099 CA HIS A 63 16.724 -1.578 13.539 1.00 0.00 C ATOM 1100 C HIS A 63 17.060 -2.211 14.873 1.00 0.00 C ATOM 1101 O HIS A 63 16.309 -3.068 15.367 1.00 0.00 O ATOM 1102 CB HIS A 63 15.636 -0.513 13.714 1.00 0.00 C ATOM 1103 CG HIS A 63 16.126 0.729 14.394 1.00 0.00 C ATOM 1104 ND1 HIS A 63 16.046 0.964 15.750 1.00 0.00 N ATOM 1105 CD2 HIS A 63 16.728 1.813 13.863 1.00 0.00 C ATOM 1106 CE1 HIS A 63 16.588 2.157 15.993 1.00 0.00 C ATOM 1107 NE2 HIS A 63 17.021 2.717 14.872 1.00 0.00 N ATOM 0 H HIS A 63 15.273 -2.721 12.612 1.00 0.00 H new ATOM 0 HA HIS A 63 17.605 -1.087 13.125 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.235 -0.249 12.735 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.814 -0.935 14.292 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.947 1.954 12.815 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.664 2.607 16.972 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.475 3.625 14.773 1.00 0.00 H new ATOM 1115 N HIS A 64 18.184 -1.847 15.413 1.00 0.00 N ATOM 1116 CA HIS A 64 18.618 -2.345 16.673 1.00 0.00 C ATOM 1117 C HIS A 64 18.243 -1.342 17.743 1.00 0.00 C ATOM 1118 O HIS A 64 19.064 -0.461 18.065 1.00 0.00 O ATOM 1119 CB HIS A 64 20.135 -2.560 16.652 1.00 0.00 C ATOM 1120 CG HIS A 64 20.617 -3.555 15.633 1.00 0.00 C ATOM 1121 ND1 HIS A 64 21.476 -3.244 14.599 1.00 0.00 N ATOM 1122 CD2 HIS A 64 20.360 -4.882 15.514 1.00 0.00 C ATOM 1123 CE1 HIS A 64 21.708 -4.358 13.902 1.00 0.00 C ATOM 1124 NE2 HIS A 64 21.054 -5.387 14.413 1.00 0.00 N ATOM 1125 OXT HIS A 64 17.107 -1.386 18.234 1.00 0.00 O ATOM 0 H HIS A 64 18.830 -1.187 14.981 1.00 0.00 H new ATOM 0 HA HIS A 64 18.139 -3.301 16.884 1.00 0.00 H new ATOM 0 HB2 HIS A 64 20.621 -1.603 16.463 1.00 0.00 H new ATOM 0 HB3 HIS A 64 20.455 -2.890 17.641 1.00 0.00 H new ATOM 0 HD2 HIS A 64 19.720 -5.456 16.167 1.00 0.00 H new ATOM 0 HE1 HIS A 64 22.347 -4.412 13.033 1.00 0.00 H new ATOM 0 HE2 HIS A 64 21.056 -6.349 14.074 1.00 0.00 H new TER 1133 HIS A 64