USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot -45:sc= 1.28 USER MOD Set 1.2: A 26 THR OG1 : rot -160:sc= 1.55 USER MOD Single : A 3 THR OG1 : rot -104:sc= 0.647 USER MOD Single : A 8 THR OG1 : rot 48:sc= 1.24 USER MOD Single : A 13 GLN : amide:sc=0.000189 X(o=0.00019,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00692 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.513 K(o=0.51,f=-3.2!) USER MOD Single : A 40 MET CE :methyl -167:sc= -0.0693 (180deg=-0.337) USER MOD Single : A 41 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.51) USER MOD Single : A 45 SER OG : rot 82:sc= 1.02 USER MOD Single : A 49 HIS :FLIP no HD1:sc=-0.00424 F(o=-1.2,f=-0.0042) USER MOD Single : A 50 TYR OH : rot 130:sc=-0.00314 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 0.797 (180deg=0.184) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.034) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.0453 (180deg=-0.199) USER MOD Single : A 64 ASN : amide:sc= -0.0134 X(o=-0.013,f=0.064) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= 0.766 (180deg=0.131) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.0337 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -11.825 4.927 5.973 1.00 0.00 N ATOM 21 CA PRO A 2 -11.573 6.376 6.126 1.00 0.00 C ATOM 22 C PRO A 2 -10.103 6.718 5.811 1.00 0.00 C ATOM 23 O PRO A 2 -9.526 7.642 6.395 1.00 0.00 O ATOM 24 CB PRO A 2 -11.909 6.567 7.618 1.00 0.00 C ATOM 25 CG PRO A 2 -11.406 5.305 8.275 1.00 0.00 C ATOM 26 CD PRO A 2 -11.390 4.213 7.200 1.00 0.00 C ATOM 0 HA PRO A 2 -12.145 7.019 5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.419 7.451 8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.980 6.696 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.408 5.456 8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.052 5.019 9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.396 3.781 7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.066 3.395 7.449 1.00 0.00 H new ATOM 34 N THR A 3 -9.536 5.965 4.858 1.00 0.00 N ATOM 35 CA THR A 3 -8.107 5.984 4.539 1.00 0.00 C ATOM 36 C THR A 3 -7.709 7.345 3.970 1.00 0.00 C ATOM 37 O THR A 3 -6.941 8.062 4.599 1.00 0.00 O ATOM 38 CB THR A 3 -7.759 4.852 3.520 1.00 0.00 C ATOM 39 OG1 THR A 3 -8.612 3.729 3.776 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.277 4.421 3.613 1.00 0.00 C ATOM 0 H THR A 3 -10.069 5.316 4.279 1.00 0.00 H new ATOM 0 HA THR A 3 -7.546 5.810 5.457 1.00 0.00 H new ATOM 0 HB THR A 3 -7.918 5.234 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.102 3.028 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.081 3.632 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.635 5.276 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.068 4.050 4.616 1.00 0.00 H new ATOM 48 N LEU A 4 -8.322 7.706 2.815 1.00 0.00 N ATOM 49 CA LEU A 4 -8.085 8.992 2.126 1.00 0.00 C ATOM 50 C LEU A 4 -8.362 10.175 3.072 1.00 0.00 C ATOM 51 O LEU A 4 -7.633 11.153 3.059 1.00 0.00 O ATOM 52 CB LEU A 4 -8.977 9.118 0.852 1.00 0.00 C ATOM 53 CG LEU A 4 -8.757 8.041 -0.257 1.00 0.00 C ATOM 54 CD1 LEU A 4 -9.674 8.293 -1.478 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.280 7.981 -0.683 1.00 0.00 C ATOM 0 H LEU A 4 -8.996 7.109 2.337 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.038 9.016 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.022 9.082 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.808 10.101 0.412 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.027 7.073 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.496 7.526 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.717 8.257 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.456 9.274 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.155 7.223 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.974 8.952 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.663 7.726 0.179 1.00 0.00 H new ATOM 67 N ASP A 5 -9.401 10.021 3.919 1.00 0.00 N ATOM 68 CA ASP A 5 -9.810 11.032 4.923 1.00 0.00 C ATOM 69 C ASP A 5 -8.683 11.313 5.937 1.00 0.00 C ATOM 70 O ASP A 5 -8.362 12.477 6.221 1.00 0.00 O ATOM 71 CB ASP A 5 -11.097 10.540 5.635 1.00 0.00 C ATOM 72 CG ASP A 5 -11.621 11.498 6.715 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.080 12.609 6.371 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.602 11.139 7.914 1.00 0.00 O ATOM 0 H ASP A 5 -9.986 9.185 3.927 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.014 11.975 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.877 10.389 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.899 9.570 6.090 1.00 0.00 H new ATOM 79 N ALA A 6 -8.078 10.232 6.449 1.00 0.00 N ATOM 80 CA ALA A 6 -6.943 10.298 7.394 1.00 0.00 C ATOM 81 C ALA A 6 -5.657 10.780 6.693 1.00 0.00 C ATOM 82 O ALA A 6 -4.811 11.442 7.303 1.00 0.00 O ATOM 83 CB ALA A 6 -6.715 8.919 8.033 1.00 0.00 C ATOM 0 H ALA A 6 -8.361 9.279 6.221 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.189 11.020 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.877 8.974 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.613 8.614 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.493 8.189 7.254 1.00 0.00 H new ATOM 89 N LEU A 7 -5.535 10.439 5.399 1.00 0.00 N ATOM 90 CA LEU A 7 -4.361 10.765 4.581 1.00 0.00 C ATOM 91 C LEU A 7 -4.383 12.243 4.127 1.00 0.00 C ATOM 92 O LEU A 7 -3.322 12.829 3.970 1.00 0.00 O ATOM 93 CB LEU A 7 -4.273 9.829 3.339 1.00 0.00 C ATOM 94 CG LEU A 7 -4.039 8.305 3.599 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.995 7.510 2.269 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.773 8.060 4.444 1.00 0.00 C ATOM 0 H LEU A 7 -6.255 9.926 4.890 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.479 10.610 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.197 9.935 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.465 10.190 2.703 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.888 7.938 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.831 6.454 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.941 7.631 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.182 7.885 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.644 6.990 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.903 8.456 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.876 8.561 5.407 1.00 0.00 H new ATOM 108 N THR A 8 -5.589 12.844 3.945 1.00 0.00 N ATOM 109 CA THR A 8 -5.734 14.209 3.358 1.00 0.00 C ATOM 110 C THR A 8 -4.895 15.300 4.103 1.00 0.00 C ATOM 111 O THR A 8 -4.182 16.049 3.425 1.00 0.00 O ATOM 112 CB THR A 8 -7.240 14.653 3.229 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.964 13.705 2.427 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.407 16.046 2.590 1.00 0.00 C ATOM 0 H THR A 8 -6.476 12.407 4.195 1.00 0.00 H new ATOM 0 HA THR A 8 -5.322 14.126 2.352 1.00 0.00 H new ATOM 0 HB THR A 8 -7.632 14.696 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.772 12.797 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.467 16.294 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.895 16.790 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.978 16.041 1.588 1.00 0.00 H new ATOM 122 N PRO A 9 -4.924 15.394 5.493 1.00 0.00 N ATOM 123 CA PRO A 9 -4.043 16.330 6.242 1.00 0.00 C ATOM 124 C PRO A 9 -2.532 16.050 6.030 1.00 0.00 C ATOM 125 O PRO A 9 -1.724 16.988 6.041 1.00 0.00 O ATOM 126 CB PRO A 9 -4.451 16.121 7.728 1.00 0.00 C ATOM 127 CG PRO A 9 -5.826 15.537 7.659 1.00 0.00 C ATOM 128 CD PRO A 9 -5.815 14.657 6.434 1.00 0.00 C ATOM 0 HA PRO A 9 -4.173 17.356 5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.760 15.451 8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.447 17.062 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.056 14.962 8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.583 16.317 7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.430 13.662 6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.816 14.527 6.022 1.00 0.00 H new ATOM 136 N ILE A 10 -2.167 14.763 5.818 1.00 0.00 N ATOM 137 CA ILE A 10 -0.754 14.347 5.607 1.00 0.00 C ATOM 138 C ILE A 10 -0.239 14.905 4.261 1.00 0.00 C ATOM 139 O ILE A 10 0.857 15.450 4.188 1.00 0.00 O ATOM 140 CB ILE A 10 -0.571 12.774 5.620 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.186 12.129 6.909 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.930 12.381 5.465 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.486 12.491 8.209 1.00 0.00 C ATOM 0 H ILE A 10 -2.832 13.990 5.788 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.177 14.753 6.438 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.116 12.379 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.232 12.428 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.171 11.045 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.025 11.295 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.312 12.768 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.504 12.805 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.986 11.996 9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.554 12.167 8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.523 13.571 8.354 1.00 0.00 H new ATOM 155 N PHE A 11 -1.075 14.781 3.209 1.00 0.00 N ATOM 156 CA PHE A 11 -0.752 15.279 1.852 1.00 0.00 C ATOM 157 C PHE A 11 -0.738 16.822 1.827 1.00 0.00 C ATOM 158 O PHE A 11 0.103 17.425 1.168 1.00 0.00 O ATOM 159 CB PHE A 11 -1.763 14.732 0.801 1.00 0.00 C ATOM 160 CG PHE A 11 -1.631 13.237 0.477 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.760 12.273 1.470 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.406 12.794 -0.826 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.676 10.927 1.178 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.319 11.447 -1.111 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.456 10.514 -0.111 1.00 0.00 C ATOM 0 H PHE A 11 -1.990 14.335 3.274 1.00 0.00 H new ATOM 0 HA PHE A 11 0.242 14.917 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.774 14.920 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.643 15.299 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.929 12.584 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.298 13.515 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.784 10.197 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.142 11.124 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.391 9.460 -0.339 1.00 0.00 H new ATOM 175 N ARG A 12 -1.675 17.449 2.557 1.00 0.00 N ATOM 176 CA ARG A 12 -1.746 18.921 2.678 1.00 0.00 C ATOM 177 C ARG A 12 -0.561 19.488 3.488 1.00 0.00 C ATOM 178 O ARG A 12 -0.218 20.665 3.345 1.00 0.00 O ATOM 179 CB ARG A 12 -3.097 19.340 3.312 1.00 0.00 C ATOM 180 CG ARG A 12 -4.315 19.142 2.379 1.00 0.00 C ATOM 181 CD ARG A 12 -5.640 19.593 3.013 1.00 0.00 C ATOM 182 NE ARG A 12 -6.750 19.511 2.054 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.049 19.692 2.337 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.463 19.960 3.573 1.00 0.00 N ATOM 185 NH2 ARG A 12 -8.936 19.591 1.357 1.00 0.00 N ATOM 0 H ARG A 12 -2.401 16.957 3.078 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.680 19.342 1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.253 18.764 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.041 20.389 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.153 19.699 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.389 18.089 2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.860 18.971 3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.543 20.618 3.372 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.512 19.297 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.787 20.032 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.457 20.093 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.626 19.379 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.928 19.725 1.551 1.00 0.00 H new ATOM 199 N GLN A 13 0.046 18.643 4.343 1.00 0.00 N ATOM 200 CA GLN A 13 1.270 18.983 5.086 1.00 0.00 C ATOM 201 C GLN A 13 2.506 18.887 4.163 1.00 0.00 C ATOM 202 O GLN A 13 3.227 19.876 3.976 1.00 0.00 O ATOM 203 CB GLN A 13 1.420 18.030 6.320 1.00 0.00 C ATOM 204 CG GLN A 13 2.678 18.254 7.187 1.00 0.00 C ATOM 205 CD GLN A 13 2.748 19.652 7.806 1.00 0.00 C ATOM 206 OE1 GLN A 13 2.214 19.891 8.889 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.399 20.585 7.127 1.00 0.00 N ATOM 0 H GLN A 13 -0.301 17.704 4.537 1.00 0.00 H new ATOM 0 HA GLN A 13 1.197 20.010 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.540 18.143 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.426 17.000 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.698 17.510 7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.565 18.090 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.831 20.356 6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.468 21.532 7.499 1.00 0.00 H new ATOM 216 N VAL A 14 2.711 17.683 3.587 1.00 0.00 N ATOM 217 CA VAL A 14 3.874 17.348 2.737 1.00 0.00 C ATOM 218 C VAL A 14 3.956 18.251 1.492 1.00 0.00 C ATOM 219 O VAL A 14 4.990 18.865 1.228 1.00 0.00 O ATOM 220 CB VAL A 14 3.832 15.830 2.297 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.915 15.496 1.235 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.961 14.896 3.529 1.00 0.00 C ATOM 0 H VAL A 14 2.063 16.904 3.701 1.00 0.00 H new ATOM 0 HA VAL A 14 4.766 17.521 3.338 1.00 0.00 H new ATOM 0 HB VAL A 14 2.862 15.658 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.846 14.442 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.756 16.109 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.903 15.701 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.930 13.857 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.907 15.089 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.137 15.085 4.217 1.00 0.00 H new ATOM 232 N PHE A 15 2.855 18.330 0.746 1.00 0.00 N ATOM 233 CA PHE A 15 2.785 19.110 -0.506 1.00 0.00 C ATOM 234 C PHE A 15 2.513 20.600 -0.226 1.00 0.00 C ATOM 235 O PHE A 15 2.634 21.414 -1.148 1.00 0.00 O ATOM 236 CB PHE A 15 1.719 18.504 -1.459 1.00 0.00 C ATOM 237 CG PHE A 15 2.068 17.080 -1.906 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.925 16.859 -2.985 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.572 15.968 -1.228 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.273 15.578 -3.358 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.918 14.689 -1.608 1.00 0.00 C ATOM 242 CZ PHE A 15 2.769 14.495 -2.671 1.00 0.00 C ATOM 0 H PHE A 15 1.983 17.858 0.985 1.00 0.00 H new ATOM 0 HA PHE A 15 3.755 19.052 -1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.751 18.496 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.618 19.142 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.320 17.701 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.905 16.111 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.943 15.423 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.521 13.840 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.042 13.493 -2.967 1.00 0.00 H new ATOM 252 N ASP A 16 2.150 20.938 1.046 1.00 0.00 N ATOM 253 CA ASP A 16 1.918 22.331 1.505 1.00 0.00 C ATOM 254 C ASP A 16 0.791 22.987 0.680 1.00 0.00 C ATOM 255 O ASP A 16 1.050 23.712 -0.286 1.00 0.00 O ATOM 256 CB ASP A 16 3.251 23.159 1.488 1.00 0.00 C ATOM 257 CG ASP A 16 3.075 24.630 1.912 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.794 24.880 3.105 1.00 0.00 O ATOM 259 OD2 ASP A 16 3.198 25.538 1.057 1.00 0.00 O ATOM 0 H ASP A 16 2.011 20.244 1.781 1.00 0.00 H new ATOM 0 HA ASP A 16 1.584 22.313 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.972 22.683 2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.674 23.128 0.484 1.00 0.00 H new ATOM 264 N ASP A 17 -0.468 22.680 1.046 1.00 0.00 N ATOM 265 CA ASP A 17 -1.636 23.095 0.253 1.00 0.00 C ATOM 266 C ASP A 17 -2.934 22.947 1.084 1.00 0.00 C ATOM 267 O ASP A 17 -2.900 22.423 2.199 1.00 0.00 O ATOM 268 CB ASP A 17 -1.694 22.248 -1.057 1.00 0.00 C ATOM 269 CG ASP A 17 -2.573 22.879 -2.140 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.116 23.819 -2.811 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.736 22.472 -2.301 1.00 0.00 O ATOM 0 H ASP A 17 -0.700 22.147 1.884 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.543 24.147 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.684 22.121 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.073 21.253 -0.823 1.00 0.00 H new ATOM 276 N ASP A 18 -4.068 23.409 0.526 1.00 0.00 N ATOM 277 CA ASP A 18 -5.394 23.365 1.193 1.00 0.00 C ATOM 278 C ASP A 18 -6.477 22.836 0.229 1.00 0.00 C ATOM 279 O ASP A 18 -7.462 22.231 0.656 1.00 0.00 O ATOM 280 CB ASP A 18 -5.757 24.787 1.696 1.00 0.00 C ATOM 281 CG ASP A 18 -7.051 24.840 2.530 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.009 24.494 3.730 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.117 25.219 1.990 1.00 0.00 O ATOM 0 H ASP A 18 -4.096 23.826 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.346 22.682 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.933 25.171 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.862 25.450 0.837 1.00 0.00 H new ATOM 288 N SER A 19 -6.259 23.048 -1.083 1.00 0.00 N ATOM 289 CA SER A 19 -7.226 22.688 -2.144 1.00 0.00 C ATOM 290 C SER A 19 -7.121 21.201 -2.543 1.00 0.00 C ATOM 291 O SER A 19 -8.035 20.683 -3.190 1.00 0.00 O ATOM 292 CB SER A 19 -7.001 23.582 -3.387 1.00 0.00 C ATOM 293 OG SER A 19 -7.093 24.951 -3.046 1.00 0.00 O ATOM 0 H SER A 19 -5.405 23.475 -1.441 1.00 0.00 H new ATOM 0 HA SER A 19 -8.227 22.853 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.021 23.375 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.741 23.343 -4.151 1.00 0.00 H new ATOM 0 HG SER A 19 -6.946 25.498 -3.846 1.00 0.00 H new ATOM 299 N ILE A 20 -6.008 20.520 -2.166 1.00 0.00 N ATOM 300 CA ILE A 20 -5.821 19.079 -2.455 1.00 0.00 C ATOM 301 C ILE A 20 -6.846 18.254 -1.647 1.00 0.00 C ATOM 302 O ILE A 20 -6.734 18.118 -0.429 1.00 0.00 O ATOM 303 CB ILE A 20 -4.343 18.589 -2.154 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.322 19.292 -3.107 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.214 17.041 -2.269 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.854 18.954 -2.861 1.00 0.00 C ATOM 0 H ILE A 20 -5.230 20.947 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.988 18.927 -3.521 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.112 18.866 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.570 19.028 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.449 20.371 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.187 16.745 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.885 16.566 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.480 16.728 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.232 19.494 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.579 19.245 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.702 17.882 -2.985 1.00 0.00 H new ATOM 318 N VAL A 21 -7.862 17.737 -2.350 1.00 0.00 N ATOM 319 CA VAL A 21 -8.900 16.873 -1.781 1.00 0.00 C ATOM 320 C VAL A 21 -8.684 15.499 -2.419 1.00 0.00 C ATOM 321 O VAL A 21 -8.872 15.354 -3.636 1.00 0.00 O ATOM 322 CB VAL A 21 -10.350 17.416 -2.096 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.441 16.539 -1.430 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.496 18.897 -1.670 1.00 0.00 C ATOM 0 H VAL A 21 -7.986 17.912 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.826 16.835 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.493 17.360 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.426 16.941 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.366 15.518 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.299 16.540 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.504 19.244 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.316 18.987 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.771 19.505 -2.212 1.00 0.00 H new ATOM 334 N LEU A 22 -8.243 14.514 -1.621 1.00 0.00 N ATOM 335 CA LEU A 22 -7.789 13.220 -2.150 1.00 0.00 C ATOM 336 C LEU A 22 -8.923 12.463 -2.828 1.00 0.00 C ATOM 337 O LEU A 22 -10.013 12.336 -2.273 1.00 0.00 O ATOM 338 CB LEU A 22 -7.165 12.346 -1.042 1.00 0.00 C ATOM 339 CG LEU A 22 -5.891 12.927 -0.369 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.280 11.904 0.602 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.858 13.405 -1.419 1.00 0.00 C ATOM 0 H LEU A 22 -8.191 14.590 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.024 13.436 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.917 12.176 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.919 11.373 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.185 13.805 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.389 12.328 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.007 11.657 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.010 11.000 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.981 13.805 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.562 12.565 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.303 14.182 -2.040 1.00 0.00 H new ATOM 353 N THR A 23 -8.645 11.999 -4.038 1.00 0.00 N ATOM 354 CA THR A 23 -9.531 11.137 -4.808 1.00 0.00 C ATOM 355 C THR A 23 -8.732 9.890 -5.196 1.00 0.00 C ATOM 356 O THR A 23 -7.494 9.857 -5.066 1.00 0.00 O ATOM 357 CB THR A 23 -10.072 11.850 -6.098 1.00 0.00 C ATOM 358 OG1 THR A 23 -8.995 12.105 -7.013 1.00 0.00 O ATOM 359 CG2 THR A 23 -10.790 13.175 -5.771 1.00 0.00 C ATOM 0 H THR A 23 -7.775 12.217 -4.524 1.00 0.00 H new ATOM 0 HA THR A 23 -10.401 10.881 -4.203 1.00 0.00 H new ATOM 0 HB THR A 23 -10.798 11.178 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.227 12.466 -6.522 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.147 13.633 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.636 12.978 -5.113 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.095 13.853 -5.275 1.00 0.00 H new ATOM 367 N ARG A 24 -9.439 8.877 -5.676 1.00 0.00 N ATOM 368 CA ARG A 24 -8.835 7.632 -6.168 1.00 0.00 C ATOM 369 C ARG A 24 -7.994 7.855 -7.448 1.00 0.00 C ATOM 370 O ARG A 24 -7.199 6.988 -7.815 1.00 0.00 O ATOM 371 CB ARG A 24 -9.948 6.586 -6.416 1.00 0.00 C ATOM 372 CG ARG A 24 -10.863 6.338 -5.189 1.00 0.00 C ATOM 373 CD ARG A 24 -12.004 5.343 -5.472 1.00 0.00 C ATOM 374 NE ARG A 24 -12.968 5.268 -4.353 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.396 4.147 -3.759 1.00 0.00 C ATOM 376 NH1 ARG A 24 -12.869 2.965 -4.071 1.00 0.00 N ATOM 377 NH2 ARG A 24 -14.330 4.225 -2.821 1.00 0.00 N ATOM 0 H ARG A 24 -10.457 8.889 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.149 7.263 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.562 6.915 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.487 5.643 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.258 5.962 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.290 7.287 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.527 5.641 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.584 4.354 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.341 6.150 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.129 2.905 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.205 2.119 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.715 5.132 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.664 3.378 -2.362 1.00 0.00 H new ATOM 391 N GLU A 25 -8.172 9.021 -8.112 1.00 0.00 N ATOM 392 CA GLU A 25 -7.467 9.374 -9.368 1.00 0.00 C ATOM 393 C GLU A 25 -6.428 10.503 -9.162 1.00 0.00 C ATOM 394 O GLU A 25 -5.718 10.857 -10.117 1.00 0.00 O ATOM 395 CB GLU A 25 -8.507 9.787 -10.446 1.00 0.00 C ATOM 396 CG GLU A 25 -9.430 10.951 -10.023 1.00 0.00 C ATOM 397 CD GLU A 25 -10.463 11.325 -11.092 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.277 10.454 -11.467 1.00 0.00 O ATOM 399 OE2 GLU A 25 -10.490 12.487 -11.547 1.00 0.00 O ATOM 0 H GLU A 25 -8.812 9.747 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.917 8.494 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.978 10.070 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.122 8.921 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.950 10.678 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.820 11.825 -9.796 1.00 0.00 H new ATOM 406 N THR A 26 -6.350 11.080 -7.936 1.00 0.00 N ATOM 407 CA THR A 26 -5.317 12.094 -7.592 1.00 0.00 C ATOM 408 C THR A 26 -3.899 11.510 -7.787 1.00 0.00 C ATOM 409 O THR A 26 -3.632 10.407 -7.340 1.00 0.00 O ATOM 410 CB THR A 26 -5.473 12.591 -6.113 1.00 0.00 C ATOM 411 OG1 THR A 26 -6.754 13.194 -5.923 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.392 13.605 -5.707 1.00 0.00 C ATOM 0 H THR A 26 -6.988 10.862 -7.170 1.00 0.00 H new ATOM 0 HA THR A 26 -5.458 12.942 -8.262 1.00 0.00 H new ATOM 0 HB THR A 26 -5.365 11.708 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.731 13.769 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.552 13.913 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.408 13.145 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.448 14.477 -6.358 1.00 0.00 H new ATOM 420 N SER A 27 -3.006 12.267 -8.430 1.00 0.00 N ATOM 421 CA SER A 27 -1.662 11.793 -8.820 1.00 0.00 C ATOM 422 C SER A 27 -0.799 12.985 -9.241 1.00 0.00 C ATOM 423 O SER A 27 -1.202 14.132 -9.052 1.00 0.00 O ATOM 424 CB SER A 27 -1.790 10.779 -9.981 1.00 0.00 C ATOM 425 OG SER A 27 -2.515 11.328 -11.069 1.00 0.00 O ATOM 0 H SER A 27 -3.190 13.233 -8.699 1.00 0.00 H new ATOM 0 HA SER A 27 -1.185 11.299 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.797 10.481 -10.317 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.290 9.878 -9.626 1.00 0.00 H new ATOM 0 HG SER A 27 -2.578 10.665 -11.788 1.00 0.00 H new ATOM 431 N ALA A 28 0.396 12.718 -9.810 1.00 0.00 N ATOM 432 CA ALA A 28 1.197 13.765 -10.471 1.00 0.00 C ATOM 433 C ALA A 28 0.667 14.131 -11.868 1.00 0.00 C ATOM 434 O ALA A 28 1.271 14.958 -12.565 1.00 0.00 O ATOM 435 CB ALA A 28 2.650 13.336 -10.540 1.00 0.00 C ATOM 0 H ALA A 28 0.823 11.792 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 28 1.113 14.668 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.236 14.114 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.030 13.176 -9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.729 12.410 -11.109 1.00 0.00 H new ATOM 441 N ASN A 29 -0.477 13.542 -12.258 1.00 0.00 N ATOM 442 CA ASN A 29 -1.181 13.893 -13.499 1.00 0.00 C ATOM 443 C ASN A 29 -2.285 14.910 -13.151 1.00 0.00 C ATOM 444 O ASN A 29 -2.538 15.866 -13.896 1.00 0.00 O ATOM 445 CB ASN A 29 -1.784 12.623 -14.162 1.00 0.00 C ATOM 446 CG ASN A 29 -2.452 12.879 -15.522 1.00 0.00 C ATOM 447 OD1 ASN A 29 -1.861 13.750 -16.340 1.00 0.00 O flip ATOM 448 ND2 ASN A 29 -3.476 12.272 -15.849 1.00 0.00 N flip ATOM 0 H ASN A 29 -0.938 12.809 -11.719 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.486 14.333 -14.214 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.993 11.884 -14.292 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.519 12.188 -13.485 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.906 11.611 -15.202 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.892 12.431 -16.767 1.00 0.00 H new ATOM 455 N ASP A 30 -2.942 14.664 -11.995 1.00 0.00 N ATOM 456 CA ASP A 30 -3.920 15.592 -11.391 1.00 0.00 C ATOM 457 C ASP A 30 -3.216 16.805 -10.753 1.00 0.00 C ATOM 458 O ASP A 30 -3.730 17.927 -10.805 1.00 0.00 O ATOM 459 CB ASP A 30 -4.765 14.837 -10.328 1.00 0.00 C ATOM 460 CG ASP A 30 -5.784 15.725 -9.590 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.737 16.213 -10.237 1.00 0.00 O ATOM 462 OD2 ASP A 30 -5.647 15.931 -8.358 1.00 0.00 O ATOM 0 H ASP A 30 -2.806 13.811 -11.453 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.576 15.965 -12.178 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.297 14.020 -10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.093 14.388 -9.597 1.00 0.00 H new ATOM 467 N ILE A 31 -2.010 16.578 -10.202 1.00 0.00 N ATOM 468 CA ILE A 31 -1.266 17.587 -9.427 1.00 0.00 C ATOM 469 C ILE A 31 0.078 17.803 -10.124 1.00 0.00 C ATOM 470 O ILE A 31 0.981 16.967 -10.040 1.00 0.00 O ATOM 471 CB ILE A 31 -1.056 17.171 -7.915 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.437 16.933 -7.216 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.217 18.236 -7.148 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.358 16.540 -5.750 1.00 0.00 C ATOM 0 H ILE A 31 -1.522 15.686 -10.282 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.846 18.510 -9.397 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.496 16.236 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.031 17.843 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.971 16.152 -7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.090 17.922 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.761 18.337 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.734 19.195 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.365 16.398 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.796 15.611 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.857 17.328 -5.188 1.00 0.00 H new ATOM 486 N ASP A 32 0.158 18.915 -10.859 1.00 0.00 N ATOM 487 CA ASP A 32 1.354 19.302 -11.621 1.00 0.00 C ATOM 488 C ASP A 32 2.559 19.574 -10.685 1.00 0.00 C ATOM 489 O ASP A 32 3.713 19.423 -11.091 1.00 0.00 O ATOM 490 CB ASP A 32 1.031 20.533 -12.513 1.00 0.00 C ATOM 491 CG ASP A 32 2.235 21.033 -13.336 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.694 20.304 -14.243 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.742 22.144 -13.062 1.00 0.00 O ATOM 0 H ASP A 32 -0.611 19.580 -10.944 1.00 0.00 H new ATOM 0 HA ASP A 32 1.641 18.472 -12.267 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.219 20.275 -13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.672 21.345 -11.881 1.00 0.00 H new ATOM 498 N ALA A 33 2.277 19.955 -9.425 1.00 0.00 N ATOM 499 CA ALA A 33 3.316 20.238 -8.403 1.00 0.00 C ATOM 500 C ALA A 33 3.855 18.953 -7.715 1.00 0.00 C ATOM 501 O ALA A 33 4.783 19.035 -6.898 1.00 0.00 O ATOM 502 CB ALA A 33 2.752 21.214 -7.355 1.00 0.00 C ATOM 0 H ALA A 33 1.324 20.077 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 33 4.165 20.690 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.514 21.422 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.460 22.144 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.881 20.768 -6.874 1.00 0.00 H new ATOM 508 N TRP A 34 3.274 17.778 -8.038 1.00 0.00 N ATOM 509 CA TRP A 34 3.657 16.485 -7.422 1.00 0.00 C ATOM 510 C TRP A 34 4.935 15.930 -8.095 1.00 0.00 C ATOM 511 O TRP A 34 4.869 15.186 -9.081 1.00 0.00 O ATOM 512 CB TRP A 34 2.467 15.482 -7.526 1.00 0.00 C ATOM 513 CG TRP A 34 2.595 14.172 -6.754 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.650 13.290 -6.740 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.588 13.578 -5.929 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.365 12.228 -5.930 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.113 12.377 -5.425 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.297 13.957 -5.556 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.403 11.555 -4.567 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.413 13.137 -4.706 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.144 11.946 -4.224 1.00 0.00 C ATOM 0 H TRP A 34 2.529 17.696 -8.730 1.00 0.00 H new ATOM 0 HA TRP A 34 3.882 16.634 -6.366 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.565 15.990 -7.184 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.318 15.242 -8.579 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.571 13.419 -7.290 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.992 11.448 -5.735 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.136 14.874 -5.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.830 10.640 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.413 13.417 -4.408 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.439 11.322 -3.564 1.00 0.00 H new ATOM 532 N ASP A 35 6.094 16.383 -7.604 1.00 0.00 N ATOM 533 CA ASP A 35 7.404 15.786 -7.940 1.00 0.00 C ATOM 534 C ASP A 35 7.613 14.473 -7.183 1.00 0.00 C ATOM 535 O ASP A 35 6.955 14.225 -6.167 1.00 0.00 O ATOM 536 CB ASP A 35 8.557 16.773 -7.607 1.00 0.00 C ATOM 537 CG ASP A 35 8.484 18.085 -8.411 1.00 0.00 C ATOM 538 OD1 ASP A 35 7.672 18.966 -8.052 1.00 0.00 O ATOM 539 OD2 ASP A 35 9.220 18.232 -9.410 1.00 0.00 O ATOM 0 H ASP A 35 6.157 17.173 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 35 7.413 15.579 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.532 17.005 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.512 16.286 -7.805 1.00 0.00 H new ATOM 544 N SER A 36 8.559 13.650 -7.686 1.00 0.00 N ATOM 545 CA SER A 36 8.947 12.377 -7.043 1.00 0.00 C ATOM 546 C SER A 36 9.701 12.619 -5.714 1.00 0.00 C ATOM 547 O SER A 36 9.723 11.746 -4.846 1.00 0.00 O ATOM 548 CB SER A 36 9.753 11.427 -7.985 1.00 0.00 C ATOM 549 OG SER A 36 10.621 12.121 -8.942 1.00 0.00 O ATOM 0 H SER A 36 9.072 13.849 -8.545 1.00 0.00 H new ATOM 0 HA SER A 36 8.014 11.861 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.364 10.762 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.052 10.800 -8.536 1.00 0.00 H new ATOM 0 HG SER A 36 11.092 11.462 -9.494 1.00 0.00 H new ATOM 554 N LEU A 37 10.308 13.809 -5.580 1.00 0.00 N ATOM 555 CA LEU A 37 10.916 14.271 -4.311 1.00 0.00 C ATOM 556 C LEU A 37 9.825 14.376 -3.224 1.00 0.00 C ATOM 557 O LEU A 37 9.958 13.821 -2.132 1.00 0.00 O ATOM 558 CB LEU A 37 11.625 15.653 -4.484 1.00 0.00 C ATOM 559 CG LEU A 37 12.893 15.709 -5.409 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.924 14.625 -5.027 1.00 0.00 C ATOM 561 CD2 LEU A 37 12.523 15.665 -6.911 1.00 0.00 C ATOM 0 H LEU A 37 10.394 14.480 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 37 11.670 13.543 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.893 16.360 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.915 16.008 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 37 13.370 16.674 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.787 14.695 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.244 14.775 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.469 13.639 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.432 15.706 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.987 14.741 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.889 16.517 -7.155 1.00 0.00 H new ATOM 573 N SER A 38 8.714 15.026 -3.604 1.00 0.00 N ATOM 574 CA SER A 38 7.569 15.289 -2.716 1.00 0.00 C ATOM 575 C SER A 38 6.764 13.989 -2.473 1.00 0.00 C ATOM 576 O SER A 38 6.154 13.810 -1.415 1.00 0.00 O ATOM 577 CB SER A 38 6.679 16.372 -3.361 1.00 0.00 C ATOM 578 OG SER A 38 7.446 17.496 -3.759 1.00 0.00 O ATOM 0 H SER A 38 8.583 15.389 -4.548 1.00 0.00 H new ATOM 0 HA SER A 38 7.926 15.643 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.164 15.955 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.911 16.685 -2.653 1.00 0.00 H new ATOM 0 HG SER A 38 6.858 18.166 -4.166 1.00 0.00 H new ATOM 584 N HIS A 39 6.791 13.103 -3.488 1.00 0.00 N ATOM 585 CA HIS A 39 6.192 11.753 -3.454 1.00 0.00 C ATOM 586 C HIS A 39 6.867 10.889 -2.376 1.00 0.00 C ATOM 587 O HIS A 39 6.187 10.265 -1.560 1.00 0.00 O ATOM 588 CB HIS A 39 6.345 11.102 -4.859 1.00 0.00 C ATOM 589 CG HIS A 39 5.840 9.684 -4.999 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.539 9.412 -5.347 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.512 8.512 -4.872 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.458 8.095 -5.426 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.623 7.508 -5.140 1.00 0.00 N ATOM 0 H HIS A 39 7.242 13.312 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 39 5.134 11.828 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.821 11.725 -5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.401 11.118 -5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.553 8.394 -4.609 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.559 7.559 -5.690 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.813 6.506 -5.124 1.00 0.00 H new ATOM 601 N MET A 40 8.212 10.883 -2.370 1.00 0.00 N ATOM 602 CA MET A 40 9.000 10.091 -1.405 1.00 0.00 C ATOM 603 C MET A 40 8.818 10.642 0.015 1.00 0.00 C ATOM 604 O MET A 40 8.677 9.870 0.962 1.00 0.00 O ATOM 605 CB MET A 40 10.500 10.066 -1.788 1.00 0.00 C ATOM 606 CG MET A 40 10.820 9.247 -3.043 1.00 0.00 C ATOM 607 SD MET A 40 10.307 7.516 -2.898 1.00 0.00 S ATOM 608 CE MET A 40 11.252 6.951 -1.475 1.00 0.00 C ATOM 0 H MET A 40 8.779 11.420 -3.026 1.00 0.00 H new ATOM 0 HA MET A 40 8.631 9.066 -1.434 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.840 11.090 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.069 9.662 -0.951 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.324 9.698 -3.902 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.892 9.289 -3.236 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.210 5.863 -1.419 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.289 7.270 -1.577 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.830 7.378 -0.565 1.00 0.00 H new ATOM 618 N ASN A 41 8.790 11.995 0.125 1.00 0.00 N ATOM 619 CA ASN A 41 8.513 12.708 1.396 1.00 0.00 C ATOM 620 C ASN A 41 7.144 12.298 1.964 1.00 0.00 C ATOM 621 O ASN A 41 6.988 12.145 3.175 1.00 0.00 O ATOM 622 CB ASN A 41 8.560 14.248 1.189 1.00 0.00 C ATOM 623 CG ASN A 41 9.945 14.778 0.815 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.970 14.227 1.215 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.983 15.855 0.052 1.00 0.00 N ATOM 0 H ASN A 41 8.959 12.620 -0.664 1.00 0.00 H new ATOM 0 HA ASN A 41 9.288 12.428 2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.853 14.522 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.228 14.739 2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.881 16.254 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.115 16.288 -0.263 1.00 0.00 H new ATOM 632 N LEU A 42 6.171 12.098 1.059 1.00 0.00 N ATOM 633 CA LEU A 42 4.809 11.683 1.415 1.00 0.00 C ATOM 634 C LEU A 42 4.807 10.252 1.991 1.00 0.00 C ATOM 635 O LEU A 42 4.275 10.020 3.082 1.00 0.00 O ATOM 636 CB LEU A 42 3.889 11.829 0.160 1.00 0.00 C ATOM 637 CG LEU A 42 2.352 11.592 0.339 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.975 10.097 0.303 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.835 12.279 1.623 1.00 0.00 C ATOM 0 H LEU A 42 6.311 12.221 0.056 1.00 0.00 H new ATOM 0 HA LEU A 42 4.414 12.327 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.027 12.834 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.247 11.133 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 42 1.856 12.052 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.898 9.990 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.270 9.670 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.490 9.572 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.765 12.100 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.356 11.871 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.019 13.352 1.561 1.00 0.00 H new ATOM 651 N ILE A 43 5.409 9.315 1.246 1.00 0.00 N ATOM 652 CA ILE A 43 5.415 7.881 1.597 1.00 0.00 C ATOM 653 C ILE A 43 6.114 7.645 2.955 1.00 0.00 C ATOM 654 O ILE A 43 5.580 6.922 3.801 1.00 0.00 O ATOM 655 CB ILE A 43 6.054 6.999 0.432 1.00 0.00 C ATOM 656 CG1 ILE A 43 4.982 6.600 -0.649 1.00 0.00 C ATOM 657 CG2 ILE A 43 6.779 5.733 0.963 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.330 7.739 -1.405 1.00 0.00 C ATOM 0 H ILE A 43 5.907 9.526 0.381 1.00 0.00 H new ATOM 0 HA ILE A 43 4.380 7.557 1.706 1.00 0.00 H new ATOM 0 HB ILE A 43 6.807 7.631 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.457 5.938 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.198 6.024 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.193 5.173 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.584 6.030 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.069 5.106 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.612 7.337 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.815 8.394 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.093 8.306 -1.938 1.00 0.00 H new ATOM 670 N VAL A 44 7.274 8.293 3.170 1.00 0.00 N ATOM 671 CA VAL A 44 8.037 8.140 4.420 1.00 0.00 C ATOM 672 C VAL A 44 7.306 8.785 5.612 1.00 0.00 C ATOM 673 O VAL A 44 7.473 8.344 6.751 1.00 0.00 O ATOM 674 CB VAL A 44 9.499 8.694 4.295 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.265 7.972 3.160 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.530 10.228 4.104 1.00 0.00 C ATOM 0 H VAL A 44 7.702 8.926 2.495 1.00 0.00 H new ATOM 0 HA VAL A 44 8.111 7.069 4.609 1.00 0.00 H new ATOM 0 HB VAL A 44 10.005 8.485 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.276 8.372 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.311 6.904 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.747 8.130 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.564 10.564 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.990 10.492 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.058 10.711 4.960 1.00 0.00 H new ATOM 686 N SER A 45 6.498 9.838 5.334 1.00 0.00 N ATOM 687 CA SER A 45 5.580 10.431 6.333 1.00 0.00 C ATOM 688 C SER A 45 4.509 9.415 6.759 1.00 0.00 C ATOM 689 O SER A 45 4.203 9.306 7.942 1.00 0.00 O ATOM 690 CB SER A 45 4.919 11.728 5.808 1.00 0.00 C ATOM 691 OG SER A 45 5.871 12.771 5.666 1.00 0.00 O ATOM 0 H SER A 45 6.465 10.294 4.422 1.00 0.00 H new ATOM 0 HA SER A 45 6.177 10.696 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.444 11.533 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.133 12.042 6.495 1.00 0.00 H new ATOM 0 HG SER A 45 6.346 12.667 4.815 1.00 0.00 H new ATOM 697 N LEU A 46 3.969 8.643 5.799 1.00 0.00 N ATOM 698 CA LEU A 46 2.970 7.598 6.096 1.00 0.00 C ATOM 699 C LEU A 46 3.606 6.495 6.968 1.00 0.00 C ATOM 700 O LEU A 46 2.989 6.007 7.919 1.00 0.00 O ATOM 701 CB LEU A 46 2.397 6.983 4.793 1.00 0.00 C ATOM 702 CG LEU A 46 1.793 7.979 3.753 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.225 7.233 2.527 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.735 8.891 4.401 1.00 0.00 C ATOM 0 H LEU A 46 4.207 8.722 4.810 1.00 0.00 H new ATOM 0 HA LEU A 46 2.147 8.060 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.193 6.421 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.623 6.266 5.067 1.00 0.00 H new ATOM 0 HG LEU A 46 2.601 8.619 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.812 7.954 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.022 6.668 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.439 6.549 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.334 9.573 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.072 8.281 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.194 9.466 5.205 1.00 0.00 H new ATOM 716 N GLU A 47 4.862 6.150 6.641 1.00 0.00 N ATOM 717 CA GLU A 47 5.627 5.108 7.335 1.00 0.00 C ATOM 718 C GLU A 47 5.863 5.462 8.817 1.00 0.00 C ATOM 719 O GLU A 47 5.508 4.673 9.699 1.00 0.00 O ATOM 720 CB GLU A 47 6.963 4.847 6.592 1.00 0.00 C ATOM 721 CG GLU A 47 6.781 4.241 5.187 1.00 0.00 C ATOM 722 CD GLU A 47 8.108 3.958 4.466 1.00 0.00 C ATOM 723 OE1 GLU A 47 8.658 2.844 4.630 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.613 4.840 3.745 1.00 0.00 O ATOM 0 H GLU A 47 5.377 6.592 5.880 1.00 0.00 H new ATOM 0 HA GLU A 47 5.040 4.190 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.510 5.786 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.577 4.175 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.217 3.312 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.185 4.923 4.580 1.00 0.00 H new ATOM 731 N VAL A 48 6.430 6.650 9.084 1.00 0.00 N ATOM 732 CA VAL A 48 6.766 7.076 10.455 1.00 0.00 C ATOM 733 C VAL A 48 5.504 7.375 11.309 1.00 0.00 C ATOM 734 O VAL A 48 5.475 7.054 12.500 1.00 0.00 O ATOM 735 CB VAL A 48 7.750 8.307 10.471 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.118 7.936 9.847 1.00 0.00 C ATOM 737 CG2 VAL A 48 7.146 9.553 9.774 1.00 0.00 C ATOM 0 H VAL A 48 6.666 7.335 8.367 1.00 0.00 H new ATOM 0 HA VAL A 48 7.280 6.230 10.912 1.00 0.00 H new ATOM 0 HB VAL A 48 7.908 8.570 11.517 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.777 8.804 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.569 7.123 10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.973 7.620 8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.862 10.374 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.921 9.315 8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.230 9.848 10.285 1.00 0.00 H new ATOM 747 N HIS A 49 4.467 7.989 10.689 1.00 0.00 N ATOM 748 CA HIS A 49 3.194 8.335 11.376 1.00 0.00 C ATOM 749 C HIS A 49 2.412 7.081 11.796 1.00 0.00 C ATOM 750 O HIS A 49 2.092 6.914 12.974 1.00 0.00 O ATOM 751 CB HIS A 49 2.299 9.252 10.485 1.00 0.00 C ATOM 752 CG HIS A 49 2.710 10.704 10.465 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.875 11.299 10.121 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.865 11.726 10.830 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.710 12.648 10.275 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.487 12.875 10.704 1.00 0.00 N flip ATOM 0 H HIS A 49 4.487 8.258 9.705 1.00 0.00 H new ATOM 0 HA HIS A 49 3.463 8.883 12.279 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.313 8.870 9.464 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.269 9.184 10.836 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.847 11.602 11.168 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.459 13.401 10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.088 13.792 10.905 1.00 0.00 H new ATOM 765 N TYR A 50 2.115 6.208 10.822 1.00 0.00 N ATOM 766 CA TYR A 50 1.245 5.029 11.035 1.00 0.00 C ATOM 767 C TYR A 50 2.036 3.790 11.522 1.00 0.00 C ATOM 768 O TYR A 50 1.432 2.735 11.761 1.00 0.00 O ATOM 769 CB TYR A 50 0.470 4.708 9.727 1.00 0.00 C ATOM 770 CG TYR A 50 -0.466 5.838 9.239 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.754 5.990 9.762 1.00 0.00 C ATOM 772 CD2 TYR A 50 -0.059 6.753 8.264 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.591 7.005 9.327 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.894 7.767 7.828 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.157 7.890 8.362 1.00 0.00 C ATOM 776 OH TYR A 50 -2.990 8.904 7.936 1.00 0.00 O ATOM 0 H TYR A 50 2.466 6.293 9.868 1.00 0.00 H new ATOM 0 HA TYR A 50 0.538 5.277 11.826 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.190 4.485 8.939 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.122 3.806 9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.103 5.303 10.519 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.931 6.667 7.841 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.583 7.103 9.743 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.556 8.460 7.071 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.509 9.757 7.967 1.00 0.00 H new ATOM 786 N LYS A 51 3.378 3.943 11.671 1.00 0.00 N ATOM 787 CA LYS A 51 4.306 2.866 12.118 1.00 0.00 C ATOM 788 C LYS A 51 4.311 1.702 11.097 1.00 0.00 C ATOM 789 O LYS A 51 4.491 0.533 11.456 1.00 0.00 O ATOM 790 CB LYS A 51 4.001 2.348 13.575 1.00 0.00 C ATOM 791 CG LYS A 51 4.315 3.327 14.738 1.00 0.00 C ATOM 792 CD LYS A 51 3.384 4.556 14.754 1.00 0.00 C ATOM 793 CE LYS A 51 3.683 5.536 15.891 1.00 0.00 C ATOM 794 NZ LYS A 51 2.830 6.744 15.816 1.00 0.00 N ATOM 0 H LYS A 51 3.853 4.826 11.483 1.00 0.00 H new ATOM 0 HA LYS A 51 5.303 3.305 12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.945 2.082 13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.569 1.432 13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.226 2.797 15.686 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.349 3.662 14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.471 5.080 13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.351 4.218 14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.527 5.040 16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.732 5.829 15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.382 7.577 16.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.495 6.872 14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.013 6.632 16.450 1.00 0.00 H new ATOM 808 N ILE A 52 4.150 2.054 9.811 1.00 0.00 N ATOM 809 CA ILE A 52 4.063 1.091 8.698 1.00 0.00 C ATOM 810 C ILE A 52 5.328 1.187 7.830 1.00 0.00 C ATOM 811 O ILE A 52 6.264 1.918 8.185 1.00 0.00 O ATOM 812 CB ILE A 52 2.761 1.343 7.850 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.749 2.764 7.201 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.513 1.122 8.733 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.479 3.109 6.429 1.00 0.00 C ATOM 0 H ILE A 52 4.076 3.026 9.510 1.00 0.00 H new ATOM 0 HA ILE A 52 4.000 0.080 9.100 1.00 0.00 H new ATOM 0 HB ILE A 52 2.747 0.626 7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.892 3.507 7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.600 2.846 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.614 1.297 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.508 0.098 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.535 1.815 9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.566 4.114 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.341 2.394 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.622 3.066 7.101 1.00 0.00 H new ATOM 827 N LYS A 53 5.370 0.440 6.707 1.00 0.00 N ATOM 828 CA LYS A 53 6.558 0.400 5.832 1.00 0.00 C ATOM 829 C LYS A 53 6.154 0.037 4.396 1.00 0.00 C ATOM 830 O LYS A 53 5.559 -1.019 4.170 1.00 0.00 O ATOM 831 CB LYS A 53 7.598 -0.612 6.411 1.00 0.00 C ATOM 832 CG LYS A 53 9.024 -0.571 5.784 1.00 0.00 C ATOM 833 CD LYS A 53 9.214 -1.442 4.518 1.00 0.00 C ATOM 834 CE LYS A 53 9.000 -2.936 4.798 1.00 0.00 C ATOM 835 NZ LYS A 53 9.260 -3.768 3.606 1.00 0.00 N ATOM 0 H LYS A 53 4.596 -0.142 6.386 1.00 0.00 H new ATOM 0 HA LYS A 53 7.021 1.386 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.690 -0.433 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.200 -1.619 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.264 0.462 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.744 -0.892 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.515 -1.116 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.218 -1.289 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.657 -3.250 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.977 -3.098 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.103 -4.769 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.616 -3.487 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.244 -3.635 3.297 1.00 0.00 H new ATOM 849 N PHE A 54 6.486 0.923 3.443 1.00 0.00 N ATOM 850 CA PHE A 54 6.352 0.672 1.997 1.00 0.00 C ATOM 851 C PHE A 54 7.748 0.417 1.415 1.00 0.00 C ATOM 852 O PHE A 54 8.718 1.059 1.830 1.00 0.00 O ATOM 853 CB PHE A 54 5.720 1.885 1.276 1.00 0.00 C ATOM 854 CG PHE A 54 4.361 2.313 1.811 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.188 1.703 1.372 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.256 3.335 2.753 1.00 0.00 C ATOM 857 CE1 PHE A 54 1.963 2.102 1.863 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.031 3.728 3.235 1.00 0.00 C ATOM 859 CZ PHE A 54 1.885 3.112 2.790 1.00 0.00 C ATOM 0 H PHE A 54 6.860 1.847 3.657 1.00 0.00 H new ATOM 0 HA PHE A 54 5.703 -0.191 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.405 2.730 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.619 1.647 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.239 0.910 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.150 3.825 3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.061 1.618 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.968 4.522 3.964 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.923 3.423 3.170 1.00 0.00 H new ATOM 869 N ALA A 55 7.837 -0.514 0.457 1.00 0.00 N ATOM 870 CA ALA A 55 9.079 -0.817 -0.270 1.00 0.00 C ATOM 871 C ALA A 55 9.039 -0.131 -1.649 1.00 0.00 C ATOM 872 O ALA A 55 7.949 0.091 -2.192 1.00 0.00 O ATOM 873 CB ALA A 55 9.258 -2.337 -0.401 1.00 0.00 C ATOM 0 H ALA A 55 7.044 -1.083 0.161 1.00 0.00 H new ATOM 0 HA ALA A 55 9.936 -0.432 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.181 -2.550 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.307 -2.784 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.413 -2.757 -0.947 1.00 0.00 H new ATOM 879 N LEU A 56 10.229 0.193 -2.200 1.00 0.00 N ATOM 880 CA LEU A 56 10.388 0.952 -3.470 1.00 0.00 C ATOM 881 C LEU A 56 9.618 0.307 -4.647 1.00 0.00 C ATOM 882 O LEU A 56 9.065 1.024 -5.490 1.00 0.00 O ATOM 883 CB LEU A 56 11.914 1.120 -3.784 1.00 0.00 C ATOM 884 CG LEU A 56 12.346 2.218 -4.833 1.00 0.00 C ATOM 885 CD1 LEU A 56 12.173 1.769 -6.300 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.618 3.552 -4.569 1.00 0.00 C ATOM 0 H LEU A 56 11.119 -0.066 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 56 9.943 1.939 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.424 1.338 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.289 0.159 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 56 13.416 2.369 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.489 2.572 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.782 0.884 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.125 1.533 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.934 4.291 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.541 3.400 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.864 3.909 -3.569 1.00 0.00 H new ATOM 898 N GLY A 57 9.561 -1.034 -4.668 1.00 0.00 N ATOM 899 CA GLY A 57 8.812 -1.774 -5.691 1.00 0.00 C ATOM 900 C GLY A 57 7.320 -1.449 -5.671 1.00 0.00 C ATOM 901 O GLY A 57 6.717 -1.219 -6.720 1.00 0.00 O ATOM 0 H GLY A 57 10.028 -1.629 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.219 -1.540 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.950 -2.844 -5.535 1.00 0.00 H new ATOM 905 N GLU A 58 6.746 -1.385 -4.449 1.00 0.00 N ATOM 906 CA GLU A 58 5.327 -1.019 -4.229 1.00 0.00 C ATOM 907 C GLU A 58 5.073 0.453 -4.606 1.00 0.00 C ATOM 908 O GLU A 58 3.969 0.808 -5.041 1.00 0.00 O ATOM 909 CB GLU A 58 4.922 -1.244 -2.753 1.00 0.00 C ATOM 910 CG GLU A 58 5.158 -2.668 -2.225 1.00 0.00 C ATOM 911 CD GLU A 58 4.736 -2.818 -0.755 1.00 0.00 C ATOM 912 OE1 GLU A 58 5.187 -2.002 0.081 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.953 -3.734 -0.416 1.00 0.00 O ATOM 0 H GLU A 58 7.253 -1.585 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 58 4.722 -1.661 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.478 -0.544 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.865 -1.001 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.600 -3.378 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.213 -2.921 -2.326 1.00 0.00 H new ATOM 920 N LEU A 59 6.112 1.301 -4.446 1.00 0.00 N ATOM 921 CA LEU A 59 6.027 2.745 -4.754 1.00 0.00 C ATOM 922 C LEU A 59 5.870 2.963 -6.262 1.00 0.00 C ATOM 923 O LEU A 59 5.128 3.850 -6.695 1.00 0.00 O ATOM 924 CB LEU A 59 7.265 3.519 -4.217 1.00 0.00 C ATOM 925 CG LEU A 59 7.575 3.331 -2.700 1.00 0.00 C ATOM 926 CD1 LEU A 59 8.674 4.300 -2.219 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.303 3.440 -1.849 1.00 0.00 C ATOM 0 H LEU A 59 7.026 1.007 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 59 5.146 3.140 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.140 3.210 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.118 4.582 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 59 7.963 2.321 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.862 4.139 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.590 4.119 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.348 5.328 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.556 3.304 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.854 4.423 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.594 2.670 -2.154 1.00 0.00 H new ATOM 939 N GLN A 60 6.571 2.131 -7.051 1.00 0.00 N ATOM 940 CA GLN A 60 6.460 2.126 -8.526 1.00 0.00 C ATOM 941 C GLN A 60 5.090 1.581 -9.006 1.00 0.00 C ATOM 942 O GLN A 60 4.782 1.645 -10.202 1.00 0.00 O ATOM 943 CB GLN A 60 7.629 1.309 -9.151 1.00 0.00 C ATOM 944 CG GLN A 60 9.051 1.716 -8.681 1.00 0.00 C ATOM 945 CD GLN A 60 9.298 3.232 -8.678 1.00 0.00 C ATOM 946 OE1 GLN A 60 9.692 3.816 -9.685 1.00 0.00 O ATOM 947 NE2 GLN A 60 9.103 3.868 -7.527 1.00 0.00 N ATOM 0 H GLN A 60 7.231 1.443 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 60 6.528 3.160 -8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.477 0.255 -8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.581 1.409 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.214 1.330 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.787 1.240 -9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.775 3.354 -6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.281 4.870 -7.462 1.00 0.00 H new ATOM 956 N LYS A 61 4.280 1.033 -8.072 1.00 0.00 N ATOM 957 CA LYS A 61 2.894 0.587 -8.354 1.00 0.00 C ATOM 958 C LYS A 61 1.876 1.671 -7.935 1.00 0.00 C ATOM 959 O LYS A 61 0.693 1.561 -8.261 1.00 0.00 O ATOM 960 CB LYS A 61 2.576 -0.752 -7.620 1.00 0.00 C ATOM 961 CG LYS A 61 3.672 -1.839 -7.715 1.00 0.00 C ATOM 962 CD LYS A 61 4.161 -2.120 -9.155 1.00 0.00 C ATOM 963 CE LYS A 61 5.273 -3.181 -9.201 1.00 0.00 C ATOM 964 NZ LYS A 61 5.848 -3.317 -10.560 1.00 0.00 N ATOM 0 H LYS A 61 4.566 0.887 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 61 2.811 0.421 -9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.394 -0.535 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.650 -1.158 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.524 -1.535 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.288 -2.765 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.320 -2.453 -9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.528 -1.194 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.061 -2.912 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.872 -4.142 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.594 -4.041 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.101 -3.598 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.253 -2.407 -10.858 1.00 0.00 H new ATOM 978 N LEU A 62 2.342 2.717 -7.217 1.00 0.00 N ATOM 979 CA LEU A 62 1.471 3.806 -6.737 1.00 0.00 C ATOM 980 C LEU A 62 1.255 4.825 -7.869 1.00 0.00 C ATOM 981 O LEU A 62 2.017 5.793 -7.993 1.00 0.00 O ATOM 982 CB LEU A 62 2.083 4.509 -5.487 1.00 0.00 C ATOM 983 CG LEU A 62 2.364 3.612 -4.244 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.024 4.427 -3.113 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.084 2.910 -3.753 1.00 0.00 C ATOM 0 H LEU A 62 3.322 2.827 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 62 0.512 3.380 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.020 4.978 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.408 5.309 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 62 3.064 2.834 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.210 3.778 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.969 4.841 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.361 5.239 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.317 2.293 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.342 3.659 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.686 2.281 -4.549 1.00 0.00 H new ATOM 997 N LYS A 63 0.258 4.575 -8.733 1.00 0.00 N ATOM 998 CA LYS A 63 -0.049 5.474 -9.855 1.00 0.00 C ATOM 999 C LYS A 63 -0.890 6.667 -9.373 1.00 0.00 C ATOM 1000 O LYS A 63 -0.776 7.781 -9.896 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.787 4.719 -10.988 1.00 0.00 C ATOM 1002 CG LYS A 63 -0.962 5.569 -12.263 1.00 0.00 C ATOM 1003 CD LYS A 63 -1.806 4.897 -13.363 1.00 0.00 C ATOM 1004 CE LYS A 63 -1.897 5.771 -14.628 1.00 0.00 C ATOM 1005 NZ LYS A 63 -2.420 7.134 -14.326 1.00 0.00 N ATOM 0 H LYS A 63 -0.349 3.757 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 63 0.894 5.848 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.233 3.813 -11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.767 4.405 -10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.427 6.517 -11.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.023 5.802 -12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.368 3.932 -13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.809 4.702 -12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.910 5.854 -15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.546 5.287 -15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.642 7.626 -15.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.282 7.055 -13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.701 7.673 -13.802 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.729 6.410 -8.363 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.671 7.391 -7.795 1.00 0.00 C ATOM 1021 C ASN A 64 -2.734 7.218 -6.267 1.00 0.00 C ATOM 1022 O ASN A 64 -2.152 6.284 -5.709 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.098 7.229 -8.389 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.144 7.238 -9.917 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.226 8.291 -10.546 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.081 6.059 -10.519 1.00 0.00 N ATOM 0 H ASN A 64 -1.776 5.499 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.310 8.387 -8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.525 6.293 -8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.730 8.034 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.100 6.005 -11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.014 5.206 -9.964 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.454 8.140 -5.606 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.740 8.083 -4.161 1.00 0.00 C ATOM 1035 C VAL A 65 -4.805 7.001 -3.861 1.00 0.00 C ATOM 1036 O VAL A 65 -4.997 6.601 -2.708 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.189 9.495 -3.615 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.349 9.496 -2.077 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.187 10.590 -4.048 1.00 0.00 C ATOM 0 H VAL A 65 -3.859 8.956 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.822 7.807 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.165 9.713 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.659 10.487 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.104 8.764 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.397 9.238 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.514 11.556 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.199 10.356 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.141 10.631 -5.136 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.463 6.498 -4.925 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.304 5.309 -4.826 1.00 0.00 C ATOM 1051 C GLY A 66 -5.467 4.075 -4.511 1.00 0.00 C ATOM 1052 O GLY A 66 -5.895 3.211 -3.751 1.00 0.00 O ATOM 0 H GLY A 66 -5.422 6.904 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.054 5.453 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.841 5.160 -5.763 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.241 4.028 -5.083 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.240 2.992 -4.765 1.00 0.00 C ATOM 1058 C ASP A 67 -2.776 3.127 -3.313 1.00 0.00 C ATOM 1059 O ASP A 67 -2.548 2.121 -2.659 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.007 3.070 -5.702 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.348 2.820 -7.173 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.795 3.757 -7.857 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.203 1.675 -7.655 1.00 0.00 O ATOM 0 H ASP A 67 -3.922 4.706 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.722 2.026 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.547 4.053 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.267 2.338 -5.378 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.621 4.385 -2.822 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.306 4.654 -1.397 1.00 0.00 C ATOM 1070 C LEU A 68 -3.462 4.228 -0.482 1.00 0.00 C ATOM 1071 O LEU A 68 -3.215 3.783 0.625 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.938 6.156 -1.117 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.474 6.594 -1.435 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.551 5.675 -0.736 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.223 6.689 -2.954 1.00 0.00 C ATOM 0 H LEU A 68 -2.709 5.226 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.424 4.055 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.614 6.785 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.133 6.363 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.337 7.597 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.561 6.006 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.403 5.719 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.414 4.650 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.807 6.997 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.397 5.716 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.902 7.422 -3.390 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.712 4.357 -0.947 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.889 3.932 -0.165 1.00 0.00 C ATOM 1089 C ALA A 69 -5.782 2.427 0.156 1.00 0.00 C ATOM 1090 O ALA A 69 -5.811 2.033 1.316 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.184 4.255 -0.919 1.00 0.00 C ATOM 0 H ALA A 69 -4.938 4.752 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.915 4.483 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.040 3.934 -0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.245 5.329 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.188 3.732 -1.875 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.551 1.629 -0.899 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.346 0.171 -0.790 1.00 0.00 C ATOM 1099 C ASP A 70 -4.092 -0.165 0.032 1.00 0.00 C ATOM 1100 O ASP A 70 -4.181 -0.919 0.994 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.254 -0.476 -2.191 1.00 0.00 C ATOM 1102 CG ASP A 70 -6.598 -0.454 -2.926 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -6.957 0.587 -3.501 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -7.318 -1.476 -2.919 1.00 0.00 O ATOM 0 H ASP A 70 -5.501 1.976 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.210 -0.240 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.508 0.052 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.912 -1.506 -2.092 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.949 0.447 -0.340 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.618 0.139 0.243 1.00 0.00 C ATOM 1111 C LEU A 71 -1.590 0.423 1.757 1.00 0.00 C ATOM 1112 O LEU A 71 -1.245 -0.467 2.533 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.461 0.913 -0.504 1.00 0.00 C ATOM 1114 CG LEU A 71 0.459 0.066 -1.449 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.234 -1.016 -0.667 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.348 -0.545 -2.611 1.00 0.00 C ATOM 0 H LEU A 71 -2.919 1.173 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.442 -0.927 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.912 1.711 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.169 1.389 0.247 1.00 0.00 H new ATOM 0 HG LEU A 71 1.197 0.742 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.861 -1.583 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.861 -0.541 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.528 -1.689 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.317 -1.127 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.127 -1.194 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.806 0.253 -3.196 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.970 1.656 2.158 1.00 0.00 N ATOM 1129 CA VAL A 72 -2.052 2.051 3.581 1.00 0.00 C ATOM 1130 C VAL A 72 -3.010 1.106 4.351 1.00 0.00 C ATOM 1131 O VAL A 72 -2.679 0.684 5.445 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.484 3.564 3.772 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.597 3.945 5.268 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.505 4.532 3.049 1.00 0.00 C ATOM 0 H VAL A 72 -2.227 2.400 1.510 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.048 1.957 3.996 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.470 3.666 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.895 4.990 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.343 3.313 5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.632 3.801 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.832 5.561 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.502 4.406 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.494 4.309 1.982 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.160 0.726 3.733 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.123 -0.247 4.336 1.00 0.00 C ATOM 1146 C ASP A 73 -4.471 -1.616 4.581 1.00 0.00 C ATOM 1147 O ASP A 73 -4.755 -2.258 5.587 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.405 -0.451 3.461 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.443 0.671 3.596 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.618 1.196 4.713 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.130 0.999 2.601 1.00 0.00 O ATOM 0 H ASP A 73 -4.446 1.076 2.819 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.419 0.193 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.108 -0.533 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.871 -1.397 3.735 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.604 -2.044 3.654 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.908 -3.342 3.753 1.00 0.00 C ATOM 1158 C LYS A 74 -1.886 -3.311 4.894 1.00 0.00 C ATOM 1159 O LYS A 74 -1.749 -4.279 5.640 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.222 -3.723 2.417 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.185 -3.885 1.219 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.349 -4.857 1.512 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.349 -4.945 0.353 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.486 -5.843 0.672 1.00 0.00 N ATOM 0 H LYS A 74 -3.364 -1.509 2.820 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.654 -4.106 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.485 -2.958 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.678 -4.657 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.591 -2.910 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.626 -4.245 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.946 -5.849 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.870 -4.533 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.726 -3.949 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.839 -5.307 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.140 -5.876 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.128 -6.800 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.988 -5.484 1.509 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.204 -2.166 5.037 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.196 -1.956 6.080 1.00 0.00 C ATOM 1180 C LYS A 75 -0.862 -1.850 7.465 1.00 0.00 C ATOM 1181 O LYS A 75 -0.336 -2.366 8.454 1.00 0.00 O ATOM 1182 CB LYS A 75 0.619 -0.674 5.777 1.00 0.00 C ATOM 1183 CG LYS A 75 1.287 -0.624 4.391 1.00 0.00 C ATOM 1184 CD LYS A 75 2.264 -1.790 4.139 1.00 0.00 C ATOM 1185 CE LYS A 75 2.825 -1.784 2.710 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.832 -2.847 2.515 1.00 0.00 N ATOM 0 H LYS A 75 -1.338 -1.358 4.429 1.00 0.00 H new ATOM 0 HA LYS A 75 0.479 -2.812 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.042 0.187 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.393 -0.568 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.514 -0.635 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.824 0.319 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.088 -1.730 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.753 -2.735 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.010 -1.919 1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.274 -0.814 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.516 -2.548 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.330 -3.022 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.360 -3.720 2.205 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.038 -1.188 7.507 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.822 -1.005 8.740 1.00 0.00 C ATOM 1202 C LEU A 76 -3.548 -2.304 9.123 1.00 0.00 C ATOM 1203 O LEU A 76 -3.832 -2.531 10.297 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.823 0.180 8.617 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.199 1.600 8.378 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.276 2.708 8.424 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.039 1.889 9.356 1.00 0.00 C ATOM 0 H LEU A 76 -2.468 -0.766 6.684 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.123 -0.756 9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.507 -0.035 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.420 0.218 9.528 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.776 1.601 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.808 3.678 8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.020 2.524 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.760 2.705 9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.634 2.881 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.408 1.846 10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.255 1.144 9.221 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.835 -3.155 8.121 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.353 -4.519 8.352 1.00 0.00 C ATOM 1221 C ALA A 77 -3.282 -5.373 9.060 1.00 0.00 C ATOM 1222 O ALA A 77 -3.593 -6.169 9.948 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.802 -5.163 7.029 1.00 0.00 C ATOM 0 H ALA A 77 -3.716 -2.921 7.135 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.228 -4.462 8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.180 -6.167 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.590 -4.559 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.954 -5.220 6.346 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.007 -5.162 8.670 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.843 -5.784 9.337 1.00 0.00 C ATOM 1231 C ARG A 78 -0.642 -5.190 10.752 1.00 0.00 C ATOM 1232 O ARG A 78 -0.119 -5.868 11.641 1.00 0.00 O ATOM 1233 CB ARG A 78 0.451 -5.594 8.493 1.00 0.00 C ATOM 1234 CG ARG A 78 0.381 -6.158 7.053 1.00 0.00 C ATOM 1235 CD ARG A 78 0.173 -7.686 6.997 1.00 0.00 C ATOM 1236 NE ARG A 78 1.314 -8.430 7.573 1.00 0.00 N ATOM 1237 CZ ARG A 78 2.082 -9.327 6.921 1.00 0.00 C ATOM 1238 NH1 ARG A 78 1.889 -9.588 5.633 1.00 0.00 N ATOM 1239 NH2 ARG A 78 3.051 -9.950 7.564 1.00 0.00 N ATOM 0 H ARG A 78 -1.756 -4.558 7.887 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.044 -6.852 9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.679 -4.529 8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.280 -6.072 9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.434 -5.669 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.302 -5.906 6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.737 -7.946 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.028 -7.993 5.961 1.00 0.00 H new ATOM 0 HE ARG A 78 1.540 -8.249 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.150 -9.107 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.480 -10.270 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.217 -9.753 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.634 -10.629 7.074 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.072 -3.919 10.943 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.986 -3.199 12.242 1.00 0.00 C ATOM 1255 C LYS A 79 -1.944 -3.762 13.312 1.00 0.00 C ATOM 1256 O LYS A 79 -1.935 -3.272 14.444 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.219 -1.670 12.057 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.064 -0.916 11.354 1.00 0.00 C ATOM 1259 CD LYS A 79 1.255 -0.946 12.161 1.00 0.00 C ATOM 1260 CE LYS A 79 1.127 -0.245 13.524 1.00 0.00 C ATOM 1261 NZ LYS A 79 2.344 -0.414 14.337 1.00 0.00 N ATOM 0 H LYS A 79 -1.490 -3.360 10.199 1.00 0.00 H new ATOM 0 HA LYS A 79 0.028 -3.361 12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.133 -1.523 11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.384 -1.221 13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.107 -1.358 10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.360 0.120 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.559 -1.981 12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.043 -0.465 11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.935 0.817 13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.270 -0.649 14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.325 0.254 15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.385 -1.387 14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.182 -0.228 13.750 1.00 0.00 H new