USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 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 2 ASN : amide:sc= 1.1 K(o=3.4,f=-6!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -170:sc= 2.29 (180deg=1.05) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0186 (180deg=-0.233) USER MOD Single : A 6 THR OG1 : rot -86:sc= 0.702 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 72:sc= 1.07 USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.25) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.556 K(o=0.56,f=-0.0073) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -3.35! K(o=-3.3!,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.75) USER MOD Single : A 37 GLN : amide:sc= 0.051 K(o=0.051,f=-0.71) USER MOD Single : A 41 THR OG1 : rot 162:sc= 0.642 USER MOD Single : A 47 GLN : amide:sc= 0.723 K(o=0.72,f=-0.57) USER MOD Single : A 54 GLN : amide:sc=-0.00769 K(o=-0.0077,f=-0.97) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0.0603 K(o=0.06,f=-6.4!) USER MOD Single : A 60 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.5) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 62 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.266 9.613 -4.172 1.00 0.00 N ATOM 2 CA MET A 1 -9.749 8.570 -5.089 1.00 0.00 C ATOM 3 C MET A 1 -8.384 8.097 -4.607 1.00 0.00 C ATOM 4 O MET A 1 -8.270 7.044 -3.971 1.00 0.00 O ATOM 5 CB MET A 1 -9.635 9.111 -6.520 1.00 0.00 C ATOM 6 CG MET A 1 -10.951 9.600 -7.103 1.00 0.00 C ATOM 7 SD MET A 1 -10.759 10.290 -8.760 1.00 0.00 S ATOM 8 CE MET A 1 -12.455 10.735 -9.138 1.00 0.00 C ATOM 0 H1 MET A 1 -11.278 9.765 -4.355 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.134 9.306 -3.187 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.749 10.501 -4.330 1.00 0.00 H new ATOM 0 HA MET A 1 -10.447 7.733 -5.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.917 9.931 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.234 8.328 -7.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.659 8.772 -7.137 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.377 10.357 -6.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.502 11.176 -10.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.081 9.843 -9.107 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.814 11.456 -8.404 1.00 0.00 H new ATOM 20 N ASN A 2 -7.354 8.886 -4.895 1.00 0.00 N ATOM 21 CA ASN A 2 -6.016 8.587 -4.411 1.00 0.00 C ATOM 22 C ASN A 2 -5.824 9.191 -3.034 1.00 0.00 C ATOM 23 O ASN A 2 -6.136 10.366 -2.815 1.00 0.00 O ATOM 24 CB ASN A 2 -4.939 9.130 -5.352 1.00 0.00 C ATOM 25 CG ASN A 2 -4.956 8.471 -6.715 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.337 7.427 -6.919 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.650 9.083 -7.658 1.00 0.00 N ATOM 0 H ASN A 2 -7.422 9.733 -5.459 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.915 7.503 -4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.078 10.204 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.960 8.984 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.687 8.691 -8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.149 9.947 -7.445 1.00 0.00 H new ATOM 34 N LEU A 3 -5.315 8.396 -2.116 1.00 0.00 N ATOM 35 CA LEU A 3 -5.072 8.858 -0.761 1.00 0.00 C ATOM 36 C LEU A 3 -3.705 9.519 -0.663 1.00 0.00 C ATOM 37 O LEU A 3 -2.982 9.627 -1.656 1.00 0.00 O ATOM 38 CB LEU A 3 -5.186 7.701 0.231 1.00 0.00 C ATOM 39 CG LEU A 3 -6.598 7.138 0.399 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.604 6.041 1.444 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.570 8.244 0.786 1.00 0.00 C ATOM 0 H LEU A 3 -5.060 7.423 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.831 9.598 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.525 6.897 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.826 8.037 1.203 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.919 6.715 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.615 5.649 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.935 5.238 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.266 6.445 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.570 7.826 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.254 8.693 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.583 9.006 0.007 1.00 0.00 H new ATOM 53 N ARG A 4 -3.361 9.985 0.526 1.00 0.00 N ATOM 54 CA ARG A 4 -2.100 10.672 0.733 1.00 0.00 C ATOM 55 C ARG A 4 -0.997 9.675 1.035 1.00 0.00 C ATOM 56 O ARG A 4 -0.967 9.055 2.100 1.00 0.00 O ATOM 57 CB ARG A 4 -2.233 11.695 1.859 1.00 0.00 C ATOM 58 CG ARG A 4 -3.217 12.798 1.524 1.00 0.00 C ATOM 59 CD ARG A 4 -3.290 13.841 2.623 1.00 0.00 C ATOM 60 NE ARG A 4 -4.106 14.983 2.217 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.102 16.162 2.829 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.427 16.333 3.958 1.00 0.00 N ATOM 63 NH2 ARG A 4 -4.801 17.171 2.327 1.00 0.00 N ATOM 0 H ARG A 4 -3.939 9.899 1.362 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.836 11.203 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.554 11.189 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.257 12.133 2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.924 13.275 0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.206 12.367 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.709 13.394 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.285 14.180 2.873 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.719 14.867 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.905 15.556 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.430 17.242 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.341 17.041 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.798 18.077 2.796 1.00 0.00 H new ATOM 77 N TRP A 5 -0.102 9.519 0.078 1.00 0.00 N ATOM 78 CA TRP A 5 0.990 8.572 0.192 1.00 0.00 C ATOM 79 C TRP A 5 2.224 9.237 0.772 1.00 0.00 C ATOM 80 O TRP A 5 2.662 10.283 0.289 1.00 0.00 O ATOM 81 CB TRP A 5 1.322 7.967 -1.175 1.00 0.00 C ATOM 82 CG TRP A 5 0.268 7.042 -1.707 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.980 7.374 -2.158 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.382 5.623 -1.857 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.654 6.246 -2.560 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.837 5.159 -2.389 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.395 4.702 -1.587 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.062 3.811 -2.658 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.168 3.368 -1.855 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.052 2.934 -2.385 1.00 0.00 C ATOM 0 H TRP A 5 -0.111 10.043 -0.797 1.00 0.00 H new ATOM 0 HA TRP A 5 0.673 7.776 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.476 8.775 -1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.264 7.423 -1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.378 8.377 -2.193 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.606 6.222 -2.926 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.339 5.028 -1.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.002 3.472 -3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.945 2.646 -1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.198 1.882 -2.582 1.00 0.00 H new ATOM 101 N THR A 6 2.771 8.640 1.813 1.00 0.00 N ATOM 102 CA THR A 6 4.022 9.103 2.373 1.00 0.00 C ATOM 103 C THR A 6 5.163 8.730 1.432 1.00 0.00 C ATOM 104 O THR A 6 5.046 7.772 0.665 1.00 0.00 O ATOM 105 CB THR A 6 4.267 8.498 3.775 1.00 0.00 C ATOM 106 OG1 THR A 6 4.086 7.078 3.737 1.00 0.00 O ATOM 107 CG2 THR A 6 3.320 9.093 4.805 1.00 0.00 C ATOM 0 H THR A 6 2.367 7.832 2.287 1.00 0.00 H new ATOM 0 HA THR A 6 3.975 10.186 2.483 1.00 0.00 H new ATOM 0 HB THR A 6 5.291 8.734 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.138 6.866 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.517 8.648 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.473 10.171 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.290 8.888 4.514 1.00 0.00 H new ATOM 115 N SER A 7 6.248 9.489 1.468 1.00 0.00 N ATOM 116 CA SER A 7 7.390 9.223 0.603 1.00 0.00 C ATOM 117 C SER A 7 7.935 7.821 0.868 1.00 0.00 C ATOM 118 O SER A 7 8.402 7.135 -0.042 1.00 0.00 O ATOM 119 CB SER A 7 8.468 10.279 0.835 1.00 0.00 C ATOM 120 OG SER A 7 7.915 11.582 0.735 1.00 0.00 O ATOM 0 H SER A 7 6.363 10.293 2.085 1.00 0.00 H new ATOM 0 HA SER A 7 7.074 9.273 -0.439 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.915 10.141 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.267 10.159 0.103 1.00 0.00 H new ATOM 0 HG SER A 7 8.617 12.248 0.888 1.00 0.00 H new ATOM 126 N GLU A 8 7.834 7.398 2.121 1.00 0.00 N ATOM 127 CA GLU A 8 8.225 6.055 2.517 1.00 0.00 C ATOM 128 C GLU A 8 7.301 5.021 1.879 1.00 0.00 C ATOM 129 O GLU A 8 7.756 4.007 1.350 1.00 0.00 O ATOM 130 CB GLU A 8 8.178 5.936 4.036 1.00 0.00 C ATOM 131 CG GLU A 8 9.122 6.890 4.739 1.00 0.00 C ATOM 132 CD GLU A 8 8.771 7.072 6.197 1.00 0.00 C ATOM 133 OE1 GLU A 8 9.176 6.232 7.025 1.00 0.00 O ATOM 134 OE2 GLU A 8 8.095 8.068 6.523 1.00 0.00 O ATOM 0 H GLU A 8 7.481 7.973 2.886 1.00 0.00 H new ATOM 0 HA GLU A 8 9.242 5.866 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.160 6.125 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.426 4.914 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.142 6.515 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.097 7.858 4.238 1.00 0.00 H new ATOM 141 N ALA A 9 5.999 5.297 1.924 1.00 0.00 N ATOM 142 CA ALA A 9 4.997 4.414 1.335 1.00 0.00 C ATOM 143 C ALA A 9 5.187 4.304 -0.172 1.00 0.00 C ATOM 144 O ALA A 9 5.145 3.209 -0.733 1.00 0.00 O ATOM 145 CB ALA A 9 3.597 4.917 1.649 1.00 0.00 C ATOM 0 H ALA A 9 5.613 6.131 2.366 1.00 0.00 H new ATOM 0 HA ALA A 9 5.123 3.423 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.861 4.248 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.454 4.945 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.470 5.920 1.240 1.00 0.00 H new ATOM 151 N LYS A 10 5.398 5.445 -0.819 1.00 0.00 N ATOM 152 CA LYS A 10 5.629 5.487 -2.257 1.00 0.00 C ATOM 153 C LYS A 10 6.824 4.619 -2.647 1.00 0.00 C ATOM 154 O LYS A 10 6.784 3.916 -3.655 1.00 0.00 O ATOM 155 CB LYS A 10 5.846 6.932 -2.710 1.00 0.00 C ATOM 156 CG LYS A 10 4.618 7.806 -2.515 1.00 0.00 C ATOM 157 CD LYS A 10 4.895 9.266 -2.837 1.00 0.00 C ATOM 158 CE LYS A 10 5.233 9.473 -4.306 1.00 0.00 C ATOM 159 NZ LYS A 10 5.425 10.909 -4.628 1.00 0.00 N ATOM 0 H LYS A 10 5.414 6.359 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 10 4.748 5.087 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.681 7.359 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.126 6.939 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.811 7.442 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.274 7.722 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.023 9.866 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.721 9.622 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.140 8.920 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.433 9.065 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.654 11.011 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.551 11.432 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.205 11.292 -4.056 1.00 0.00 H new ATOM 173 N THR A 11 7.875 4.654 -1.836 1.00 0.00 N ATOM 174 CA THR A 11 9.053 3.839 -2.089 1.00 0.00 C ATOM 175 C THR A 11 8.726 2.355 -1.916 1.00 0.00 C ATOM 176 O THR A 11 9.107 1.527 -2.744 1.00 0.00 O ATOM 177 CB THR A 11 10.219 4.233 -1.162 1.00 0.00 C ATOM 178 OG1 THR A 11 10.453 5.649 -1.249 1.00 0.00 O ATOM 179 CG2 THR A 11 11.489 3.484 -1.541 1.00 0.00 C ATOM 0 H THR A 11 7.934 5.237 -1.001 1.00 0.00 H new ATOM 0 HA THR A 11 9.362 4.018 -3.119 1.00 0.00 H new ATOM 0 HB THR A 11 9.949 3.967 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.723 6.129 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.298 3.779 -0.873 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.318 2.411 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.761 3.725 -2.569 1.00 0.00 H new ATOM 187 N LYS A 12 7.996 2.029 -0.852 1.00 0.00 N ATOM 188 CA LYS A 12 7.552 0.657 -0.615 1.00 0.00 C ATOM 189 C LYS A 12 6.728 0.148 -1.794 1.00 0.00 C ATOM 190 O LYS A 12 6.848 -1.009 -2.191 1.00 0.00 O ATOM 191 CB LYS A 12 6.719 0.574 0.667 1.00 0.00 C ATOM 192 CG LYS A 12 7.501 0.832 1.942 1.00 0.00 C ATOM 193 CD LYS A 12 8.428 -0.323 2.285 1.00 0.00 C ATOM 194 CE LYS A 12 9.108 -0.090 3.625 1.00 0.00 C ATOM 195 NZ LYS A 12 9.966 -1.232 4.039 1.00 0.00 N ATOM 0 H LYS A 12 7.699 2.696 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 12 8.438 0.031 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.904 1.295 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.266 -0.415 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.086 1.745 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.807 0.997 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.861 -1.253 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.181 -0.435 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.715 0.813 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.349 0.084 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.060 -1.238 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.532 -2.124 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.907 -1.134 3.607 1.00 0.00 H new ATOM 209 N LEU A 13 5.903 1.029 -2.349 1.00 0.00 N ATOM 210 CA LEU A 13 5.057 0.686 -3.487 1.00 0.00 C ATOM 211 C LEU A 13 5.904 0.361 -4.717 1.00 0.00 C ATOM 212 O LEU A 13 5.548 -0.499 -5.518 1.00 0.00 O ATOM 213 CB LEU A 13 4.099 1.842 -3.793 1.00 0.00 C ATOM 214 CG LEU A 13 3.084 1.578 -4.908 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.164 0.424 -4.536 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.272 2.833 -5.195 1.00 0.00 C ATOM 0 H LEU A 13 5.802 1.992 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 13 4.477 -0.200 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.555 2.091 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.689 2.718 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 13 3.630 1.303 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.450 0.253 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.756 -0.477 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.625 0.669 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.555 2.629 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.738 3.135 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.940 3.635 -5.507 1.00 0.00 H new ATOM 228 N LYS A 14 7.033 1.043 -4.850 1.00 0.00 N ATOM 229 CA LYS A 14 7.944 0.817 -5.971 1.00 0.00 C ATOM 230 C LYS A 14 8.650 -0.527 -5.833 1.00 0.00 C ATOM 231 O LYS A 14 9.216 -1.043 -6.797 1.00 0.00 O ATOM 232 CB LYS A 14 8.977 1.938 -6.046 1.00 0.00 C ATOM 233 CG LYS A 14 8.367 3.312 -6.256 1.00 0.00 C ATOM 234 CD LYS A 14 9.417 4.405 -6.206 1.00 0.00 C ATOM 235 CE LYS A 14 8.794 5.773 -6.399 1.00 0.00 C ATOM 236 NZ LYS A 14 9.806 6.859 -6.352 1.00 0.00 N ATOM 0 H LYS A 14 7.344 1.760 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 14 7.357 0.809 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.561 1.945 -5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.670 1.729 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.857 3.341 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.613 3.496 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.936 4.371 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.164 4.230 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.275 5.803 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.045 5.942 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.337 7.777 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.284 6.848 -5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.507 6.713 -7.106 1.00 0.00 H new ATOM 250 N ASN A 15 8.621 -1.081 -4.630 1.00 0.00 N ATOM 251 CA ASN A 15 9.217 -2.389 -4.374 1.00 0.00 C ATOM 252 C ASN A 15 8.255 -3.502 -4.771 1.00 0.00 C ATOM 253 O ASN A 15 8.641 -4.668 -4.867 1.00 0.00 O ATOM 254 CB ASN A 15 9.603 -2.529 -2.896 1.00 0.00 C ATOM 255 CG ASN A 15 10.900 -1.819 -2.549 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.981 -2.388 -2.670 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.808 -0.572 -2.110 1.00 0.00 N ATOM 0 H ASN A 15 8.191 -0.647 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 15 10.120 -2.474 -4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.800 -2.129 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.698 -3.587 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.652 -0.055 -1.861 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.894 -0.129 -2.021 1.00 0.00 H new ATOM 264 N ILE A 16 7.004 -3.135 -5.002 1.00 0.00 N ATOM 265 CA ILE A 16 5.986 -4.091 -5.416 1.00 0.00 C ATOM 266 C ILE A 16 6.033 -4.292 -6.934 1.00 0.00 C ATOM 267 O ILE A 16 6.122 -3.318 -7.683 1.00 0.00 O ATOM 268 CB ILE A 16 4.577 -3.610 -4.992 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.548 -3.334 -3.483 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.516 -4.639 -5.368 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.219 -2.812 -2.984 1.00 0.00 C ATOM 0 H ILE A 16 6.667 -2.177 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 16 6.191 -5.042 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 16 4.352 -2.685 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.790 -4.254 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.326 -2.611 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.534 -4.279 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.524 -4.792 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.730 -5.582 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.276 -2.641 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.983 -1.875 -3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.439 -3.544 -3.194 1.00 0.00 H new ATOM 283 N PRO A 17 6.004 -5.562 -7.397 1.00 0.00 N ATOM 284 CA PRO A 17 6.030 -5.903 -8.828 1.00 0.00 C ATOM 285 C PRO A 17 5.026 -5.098 -9.646 1.00 0.00 C ATOM 286 O PRO A 17 3.892 -4.899 -9.220 1.00 0.00 O ATOM 287 CB PRO A 17 5.653 -7.384 -8.843 1.00 0.00 C ATOM 288 CG PRO A 17 6.115 -7.902 -7.524 1.00 0.00 C ATOM 289 CD PRO A 17 5.954 -6.768 -6.549 1.00 0.00 C ATOM 0 HA PRO A 17 6.999 -5.683 -9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.579 -7.518 -8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.137 -7.908 -9.667 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.526 -8.766 -7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.154 -8.227 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.010 -6.837 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.749 -6.766 -5.804 1.00 0.00 H new ATOM 297 N PHE A 18 5.452 -4.666 -10.831 1.00 0.00 N ATOM 298 CA PHE A 18 4.646 -3.805 -11.706 1.00 0.00 C ATOM 299 C PHE A 18 3.210 -4.310 -11.886 1.00 0.00 C ATOM 300 O PHE A 18 2.266 -3.520 -11.891 1.00 0.00 O ATOM 301 CB PHE A 18 5.327 -3.656 -13.074 1.00 0.00 C ATOM 302 CG PHE A 18 5.494 -4.946 -13.840 1.00 0.00 C ATOM 303 CD1 PHE A 18 6.499 -5.844 -13.510 1.00 0.00 C ATOM 304 CD2 PHE A 18 4.644 -5.260 -14.890 1.00 0.00 C ATOM 305 CE1 PHE A 18 6.652 -7.026 -14.210 1.00 0.00 C ATOM 306 CE2 PHE A 18 4.795 -6.442 -15.594 1.00 0.00 C ATOM 307 CZ PHE A 18 5.798 -7.325 -15.252 1.00 0.00 C ATOM 0 H PHE A 18 6.367 -4.901 -11.216 1.00 0.00 H new ATOM 0 HA PHE A 18 4.580 -2.833 -11.216 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.745 -2.962 -13.681 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.309 -3.206 -12.929 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.171 -5.616 -12.695 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.855 -4.574 -15.161 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.439 -7.715 -13.942 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.128 -6.673 -16.411 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.915 -8.249 -15.799 1.00 0.00 H new ATOM 317 N PHE A 19 3.047 -5.620 -12.019 1.00 0.00 N ATOM 318 CA PHE A 19 1.735 -6.206 -12.261 1.00 0.00 C ATOM 319 C PHE A 19 0.867 -6.154 -11.003 1.00 0.00 C ATOM 320 O PHE A 19 -0.298 -5.765 -11.059 1.00 0.00 O ATOM 321 CB PHE A 19 1.898 -7.649 -12.749 1.00 0.00 C ATOM 322 CG PHE A 19 0.606 -8.396 -12.887 1.00 0.00 C ATOM 323 CD1 PHE A 19 -0.194 -8.220 -14.003 1.00 0.00 C ATOM 324 CD2 PHE A 19 0.191 -9.270 -11.896 1.00 0.00 C ATOM 325 CE1 PHE A 19 -1.386 -8.906 -14.131 1.00 0.00 C ATOM 326 CE2 PHE A 19 -1.001 -9.959 -12.018 1.00 0.00 C ATOM 327 CZ PHE A 19 -1.791 -9.775 -13.137 1.00 0.00 C ATOM 0 H PHE A 19 3.808 -6.297 -11.963 1.00 0.00 H new ATOM 0 HA PHE A 19 1.230 -5.624 -13.032 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.405 -7.640 -13.714 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.544 -8.186 -12.054 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.117 -7.539 -14.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.805 -9.415 -11.019 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.001 -8.763 -15.007 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.314 -10.640 -11.240 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.724 -10.310 -13.234 1.00 0.00 H new ATOM 337 N ALA A 20 1.448 -6.519 -9.868 1.00 0.00 N ATOM 338 CA ALA A 20 0.700 -6.579 -8.618 1.00 0.00 C ATOM 339 C ALA A 20 0.623 -5.210 -7.951 1.00 0.00 C ATOM 340 O ALA A 20 -0.144 -5.011 -7.016 1.00 0.00 O ATOM 341 CB ALA A 20 1.330 -7.591 -7.669 1.00 0.00 C ATOM 0 H ALA A 20 2.431 -6.777 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.316 -6.898 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.760 -7.623 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.325 -8.577 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.357 -7.297 -7.453 1.00 0.00 H new ATOM 347 N ARG A 21 1.411 -4.269 -8.453 1.00 0.00 N ATOM 348 CA ARG A 21 1.494 -2.932 -7.877 1.00 0.00 C ATOM 349 C ARG A 21 0.152 -2.206 -7.941 1.00 0.00 C ATOM 350 O ARG A 21 -0.215 -1.485 -7.012 1.00 0.00 O ATOM 351 CB ARG A 21 2.581 -2.133 -8.598 1.00 0.00 C ATOM 352 CG ARG A 21 2.766 -0.719 -8.079 1.00 0.00 C ATOM 353 CD ARG A 21 4.150 -0.181 -8.418 1.00 0.00 C ATOM 354 NE ARG A 21 4.466 -0.289 -9.843 1.00 0.00 N ATOM 355 CZ ARG A 21 5.649 -0.683 -10.313 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.595 -1.104 -9.478 1.00 0.00 N ATOM 357 NH2 ARG A 21 5.881 -0.688 -11.617 1.00 0.00 N ATOM 0 H ARG A 21 2.009 -4.409 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 21 1.755 -3.026 -6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.527 -2.667 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.339 -2.089 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.005 -0.069 -8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.623 -0.704 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.213 0.864 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.898 -0.726 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 21 3.738 -0.049 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.416 -1.126 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.499 -1.405 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.153 -0.389 -12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.788 -0.990 -11.972 1.00 0.00 H new ATOM 371 N SER A 22 -0.586 -2.414 -9.024 1.00 0.00 N ATOM 372 CA SER A 22 -1.893 -1.790 -9.180 1.00 0.00 C ATOM 373 C SER A 22 -2.902 -2.436 -8.226 1.00 0.00 C ATOM 374 O SER A 22 -3.729 -1.755 -7.619 1.00 0.00 O ATOM 375 CB SER A 22 -2.368 -1.911 -10.631 1.00 0.00 C ATOM 376 OG SER A 22 -3.527 -1.130 -10.863 1.00 0.00 O ATOM 0 H SER A 22 -0.303 -3.007 -9.804 1.00 0.00 H new ATOM 0 HA SER A 22 -1.811 -0.732 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.572 -1.592 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.579 -2.955 -10.860 1.00 0.00 H new ATOM 0 HG SER A 22 -3.805 -1.227 -11.798 1.00 0.00 H new ATOM 382 N GLN A 23 -2.801 -3.751 -8.081 1.00 0.00 N ATOM 383 CA GLN A 23 -3.684 -4.505 -7.199 1.00 0.00 C ATOM 384 C GLN A 23 -3.373 -4.192 -5.737 1.00 0.00 C ATOM 385 O GLN A 23 -4.279 -4.019 -4.914 1.00 0.00 O ATOM 386 CB GLN A 23 -3.536 -6.005 -7.486 1.00 0.00 C ATOM 387 CG GLN A 23 -4.341 -6.902 -6.561 1.00 0.00 C ATOM 388 CD GLN A 23 -4.371 -8.347 -7.025 1.00 0.00 C ATOM 389 OE1 GLN A 23 -3.500 -9.147 -6.683 1.00 0.00 O ATOM 390 NE2 GLN A 23 -5.385 -8.691 -7.803 1.00 0.00 N ATOM 0 H GLN A 23 -2.110 -4.322 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.717 -4.213 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.840 -6.198 -8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.483 -6.275 -7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.917 -6.856 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.362 -6.525 -6.494 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.086 -7.997 -8.063 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.465 -9.650 -8.142 1.00 0.00 H new ATOM 399 N ALA A 24 -2.085 -4.102 -5.427 1.00 0.00 N ATOM 400 CA ALA A 24 -1.640 -3.765 -4.085 1.00 0.00 C ATOM 401 C ALA A 24 -2.108 -2.372 -3.702 1.00 0.00 C ATOM 402 O ALA A 24 -2.677 -2.185 -2.630 1.00 0.00 O ATOM 403 CB ALA A 24 -0.128 -3.866 -3.978 1.00 0.00 C ATOM 0 H ALA A 24 -1.328 -4.259 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.080 -4.481 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.183 -3.610 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.186 -4.884 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.334 -3.177 -4.685 1.00 0.00 H new ATOM 409 N LYS A 25 -1.886 -1.406 -4.595 1.00 0.00 N ATOM 410 CA LYS A 25 -2.301 -0.026 -4.367 1.00 0.00 C ATOM 411 C LYS A 25 -3.773 0.037 -3.981 1.00 0.00 C ATOM 412 O LYS A 25 -4.151 0.760 -3.057 1.00 0.00 O ATOM 413 CB LYS A 25 -2.057 0.821 -5.620 1.00 0.00 C ATOM 414 CG LYS A 25 -2.508 2.266 -5.479 1.00 0.00 C ATOM 415 CD LYS A 25 -2.202 3.074 -6.729 1.00 0.00 C ATOM 416 CE LYS A 25 -2.575 4.540 -6.561 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.043 4.746 -6.423 1.00 0.00 N ATOM 0 H LYS A 25 -1.418 -1.559 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.706 0.374 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.993 0.803 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.580 0.367 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.579 2.295 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.012 2.720 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.140 2.994 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.747 2.655 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.072 4.940 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.212 5.104 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.258 5.762 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.538 4.243 -7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.360 4.378 -5.504 1.00 0.00 H new ATOM 431 N ALA A 26 -4.592 -0.738 -4.688 1.00 0.00 N ATOM 432 CA ALA A 26 -6.018 -0.800 -4.414 1.00 0.00 C ATOM 433 C ALA A 26 -6.279 -1.202 -2.965 1.00 0.00 C ATOM 434 O ALA A 26 -7.063 -0.557 -2.266 1.00 0.00 O ATOM 435 CB ALA A 26 -6.695 -1.772 -5.368 1.00 0.00 C ATOM 0 H ALA A 26 -4.287 -1.333 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.440 0.193 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.763 -1.809 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.544 -1.439 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.264 -2.765 -5.242 1.00 0.00 H new ATOM 441 N ARG A 27 -5.609 -2.252 -2.503 1.00 0.00 N ATOM 442 CA ARG A 27 -5.809 -2.717 -1.135 1.00 0.00 C ATOM 443 C ARG A 27 -5.172 -1.762 -0.129 1.00 0.00 C ATOM 444 O ARG A 27 -5.713 -1.555 0.948 1.00 0.00 O ATOM 445 CB ARG A 27 -5.263 -4.132 -0.926 1.00 0.00 C ATOM 446 CG ARG A 27 -5.622 -4.704 0.439 1.00 0.00 C ATOM 447 CD ARG A 27 -5.206 -6.157 0.585 1.00 0.00 C ATOM 448 NE ARG A 27 -5.595 -6.704 1.884 1.00 0.00 N ATOM 449 CZ ARG A 27 -5.740 -8.002 2.132 1.00 0.00 C ATOM 450 NH1 ARG A 27 -5.625 -8.891 1.152 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.040 -8.413 3.357 1.00 0.00 N ATOM 0 H ARG A 27 -4.933 -2.790 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.886 -2.741 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.655 -4.787 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.179 -4.119 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.140 -4.111 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.698 -4.619 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.662 -6.747 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.126 -6.240 0.464 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.766 -6.049 2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.424 -8.579 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.737 -9.885 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.159 -7.733 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.151 -9.409 3.548 1.00 0.00 H new ATOM 465 N ILE A 28 -4.030 -1.180 -0.484 1.00 0.00 N ATOM 466 CA ILE A 28 -3.324 -0.267 0.417 1.00 0.00 C ATOM 467 C ILE A 28 -4.204 0.918 0.792 1.00 0.00 C ATOM 468 O ILE A 28 -4.377 1.230 1.972 1.00 0.00 O ATOM 469 CB ILE A 28 -2.010 0.254 -0.205 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.062 -0.912 -0.484 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.349 1.270 0.721 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.131 -0.533 -1.332 1.00 0.00 C ATOM 0 H ILE A 28 -3.573 -1.322 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.081 -0.838 1.313 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.241 0.749 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.709 -1.317 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.615 -1.707 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.424 1.627 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.024 2.111 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.126 0.799 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.759 -1.410 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.212 -0.156 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.707 0.240 -0.824 1.00 0.00 H new ATOM 484 N GLU A 29 -4.777 1.564 -0.212 1.00 0.00 N ATOM 485 CA GLU A 29 -5.639 2.709 0.028 1.00 0.00 C ATOM 486 C GLU A 29 -6.951 2.267 0.676 1.00 0.00 C ATOM 487 O GLU A 29 -7.590 3.030 1.400 1.00 0.00 O ATOM 488 CB GLU A 29 -5.891 3.463 -1.279 1.00 0.00 C ATOM 489 CG GLU A 29 -4.607 3.986 -1.912 1.00 0.00 C ATOM 490 CD GLU A 29 -4.838 4.778 -3.182 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.285 4.184 -4.186 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.559 5.994 -3.184 1.00 0.00 O ATOM 0 H GLU A 29 -4.661 1.316 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.140 3.388 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.396 2.802 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.564 4.299 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.086 4.615 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.951 3.144 -2.133 1.00 0.00 H new ATOM 499 N GLN A 30 -7.339 1.022 0.430 1.00 0.00 N ATOM 500 CA GLN A 30 -8.506 0.445 1.090 1.00 0.00 C ATOM 501 C GLN A 30 -8.222 0.247 2.580 1.00 0.00 C ATOM 502 O GLN A 30 -9.071 0.526 3.426 1.00 0.00 O ATOM 503 CB GLN A 30 -8.880 -0.893 0.442 1.00 0.00 C ATOM 504 CG GLN A 30 -10.286 -0.927 -0.151 1.00 0.00 C ATOM 505 CD GLN A 30 -10.431 -0.157 -1.458 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.239 -0.520 -2.313 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.665 0.910 -1.625 1.00 0.00 N ATOM 0 H GLN A 30 -6.866 0.393 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.345 1.132 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.160 -1.117 -0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.793 -1.683 1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.572 -1.965 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.986 -0.518 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.006 1.184 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.734 1.458 -2.482 1.00 0.00 H new ATOM 516 N LEU A 31 -7.014 -0.220 2.887 1.00 0.00 N ATOM 517 CA LEU A 31 -6.579 -0.430 4.265 1.00 0.00 C ATOM 518 C LEU A 31 -6.600 0.880 5.045 1.00 0.00 C ATOM 519 O LEU A 31 -7.030 0.922 6.198 1.00 0.00 O ATOM 520 CB LEU A 31 -5.165 -1.021 4.292 1.00 0.00 C ATOM 521 CG LEU A 31 -5.040 -2.449 3.753 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.582 -2.790 3.486 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.636 -3.443 4.738 1.00 0.00 C ATOM 0 H LEU A 31 -6.311 -0.463 2.189 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.271 -1.129 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.507 -0.373 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.803 -1.006 5.320 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.592 -2.511 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.511 -3.808 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.175 -2.096 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.014 -2.710 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.539 -4.453 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.107 -3.375 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.690 -3.214 4.893 1.00 0.00 H new ATOM 535 N ALA A 32 -6.148 1.948 4.401 1.00 0.00 N ATOM 536 CA ALA A 32 -6.116 3.259 5.032 1.00 0.00 C ATOM 537 C ALA A 32 -7.525 3.763 5.324 1.00 0.00 C ATOM 538 O ALA A 32 -7.753 4.420 6.336 1.00 0.00 O ATOM 539 CB ALA A 32 -5.360 4.250 4.169 1.00 0.00 C ATOM 0 H ALA A 32 -5.799 1.931 3.443 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.592 3.161 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.348 5.224 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.337 3.902 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.851 4.337 3.200 1.00 0.00 H new ATOM 545 N ARG A 33 -8.472 3.449 4.446 1.00 0.00 N ATOM 546 CA ARG A 33 -9.864 3.816 4.679 1.00 0.00 C ATOM 547 C ARG A 33 -10.478 2.907 5.737 1.00 0.00 C ATOM 548 O ARG A 33 -11.414 3.292 6.435 1.00 0.00 O ATOM 549 CB ARG A 33 -10.679 3.748 3.386 1.00 0.00 C ATOM 550 CG ARG A 33 -10.252 4.772 2.351 1.00 0.00 C ATOM 551 CD ARG A 33 -11.193 4.787 1.160 1.00 0.00 C ATOM 552 NE ARG A 33 -12.546 5.228 1.522 1.00 0.00 N ATOM 553 CZ ARG A 33 -13.231 6.157 0.848 1.00 0.00 C ATOM 554 NH1 ARG A 33 -12.680 6.763 -0.199 1.00 0.00 N ATOM 555 NH2 ARG A 33 -14.464 6.486 1.223 1.00 0.00 N ATOM 0 H ARG A 33 -8.304 2.946 3.575 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.886 4.845 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.586 2.750 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.733 3.897 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.225 5.762 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.240 4.549 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.792 5.448 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.243 3.788 0.727 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.989 4.800 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.733 6.519 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.204 7.472 -0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.891 6.029 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.982 7.196 0.705 1.00 0.00 H new ATOM 569 N GLN A 34 -9.936 1.702 5.859 1.00 0.00 N ATOM 570 CA GLN A 34 -10.336 0.783 6.918 1.00 0.00 C ATOM 571 C GLN A 34 -9.849 1.318 8.265 1.00 0.00 C ATOM 572 O GLN A 34 -10.470 1.088 9.303 1.00 0.00 O ATOM 573 CB GLN A 34 -9.776 -0.623 6.634 1.00 0.00 C ATOM 574 CG GLN A 34 -10.205 -1.695 7.630 1.00 0.00 C ATOM 575 CD GLN A 34 -9.329 -1.747 8.871 1.00 0.00 C ATOM 576 OE1 GLN A 34 -9.798 -2.075 9.960 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.048 -1.441 8.719 1.00 0.00 N ATOM 0 H GLN A 34 -9.216 1.337 5.236 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.423 0.707 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.089 -0.929 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.687 -0.570 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.237 -1.511 7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.184 -2.667 7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.693 -1.173 7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.417 -1.473 9.520 1.00 0.00 H new ATOM 586 N ALA A 35 -8.727 2.031 8.232 1.00 0.00 N ATOM 587 CA ALA A 35 -8.216 2.722 9.412 1.00 0.00 C ATOM 588 C ALA A 35 -8.858 4.103 9.537 1.00 0.00 C ATOM 589 O ALA A 35 -8.730 4.771 10.566 1.00 0.00 O ATOM 590 CB ALA A 35 -6.700 2.842 9.347 1.00 0.00 C ATOM 0 H ALA A 35 -8.152 2.146 7.397 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.475 2.138 10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.338 3.360 10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.258 1.847 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.417 3.406 8.458 1.00 0.00 H new ATOM 596 N GLU A 36 -9.547 4.507 8.470 1.00 0.00 N ATOM 597 CA GLU A 36 -10.270 5.777 8.414 1.00 0.00 C ATOM 598 C GLU A 36 -9.318 6.965 8.502 1.00 0.00 C ATOM 599 O GLU A 36 -9.577 7.940 9.212 1.00 0.00 O ATOM 600 CB GLU A 36 -11.341 5.840 9.506 1.00 0.00 C ATOM 601 CG GLU A 36 -12.438 4.810 9.317 1.00 0.00 C ATOM 602 CD GLU A 36 -13.553 4.955 10.325 1.00 0.00 C ATOM 603 OE1 GLU A 36 -14.435 5.815 10.123 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.560 4.198 11.318 1.00 0.00 O ATOM 0 H GLU A 36 -9.620 3.958 7.614 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.770 5.835 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.871 5.689 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.783 6.836 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.848 4.903 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.010 3.811 9.396 1.00 0.00 H new ATOM 611 N GLN A 37 -8.232 6.887 7.748 1.00 0.00 N ATOM 612 CA GLN A 37 -7.275 7.976 7.664 1.00 0.00 C ATOM 613 C GLN A 37 -6.934 8.249 6.202 1.00 0.00 C ATOM 614 O GLN A 37 -7.160 7.400 5.339 1.00 0.00 O ATOM 615 CB GLN A 37 -6.011 7.651 8.470 1.00 0.00 C ATOM 616 CG GLN A 37 -5.306 6.378 8.033 1.00 0.00 C ATOM 617 CD GLN A 37 -4.132 6.025 8.927 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.130 6.314 10.123 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.117 5.409 8.349 1.00 0.00 N ATOM 0 H GLN A 37 -7.992 6.073 7.182 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.720 8.873 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.315 8.486 8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.278 7.563 9.523 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.019 5.554 8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.955 6.495 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.155 5.186 7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.295 5.156 8.897 1.00 0.00 H new ATOM 628 N ASP A 38 -6.421 9.438 5.917 1.00 0.00 N ATOM 629 CA ASP A 38 -6.109 9.824 4.541 1.00 0.00 C ATOM 630 C ASP A 38 -4.688 9.448 4.171 1.00 0.00 C ATOM 631 O ASP A 38 -4.328 9.425 2.997 1.00 0.00 O ATOM 632 CB ASP A 38 -6.294 11.330 4.344 1.00 0.00 C ATOM 633 CG ASP A 38 -7.745 11.736 4.237 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.417 11.843 5.285 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.221 11.951 3.104 1.00 0.00 O ATOM 0 H ASP A 38 -6.211 10.152 6.615 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.799 9.284 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.835 11.859 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.768 11.640 3.441 1.00 0.00 H new ATOM 640 N ILE A 39 -3.888 9.154 5.175 1.00 0.00 N ATOM 641 CA ILE A 39 -2.474 8.905 4.979 1.00 0.00 C ATOM 642 C ILE A 39 -2.182 7.412 4.998 1.00 0.00 C ATOM 643 O ILE A 39 -2.657 6.693 5.876 1.00 0.00 O ATOM 644 CB ILE A 39 -1.647 9.595 6.084 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.004 11.082 6.161 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.157 9.415 5.831 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.389 11.798 7.343 1.00 0.00 C ATOM 0 H ILE A 39 -4.197 9.081 6.144 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.195 9.313 4.007 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.888 9.129 7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.680 11.572 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.088 11.184 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.408 9.909 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.085 8.352 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.104 9.855 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.688 12.846 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.733 11.335 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.303 11.729 7.285 1.00 0.00 H new ATOM 659 N VAL A 40 -1.420 6.942 4.021 1.00 0.00 N ATOM 660 CA VAL A 40 -0.966 5.565 4.031 1.00 0.00 C ATOM 661 C VAL A 40 0.481 5.514 4.502 1.00 0.00 C ATOM 662 O VAL A 40 1.335 6.283 4.045 1.00 0.00 O ATOM 663 CB VAL A 40 -1.102 4.872 2.648 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.520 4.999 2.119 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.113 5.430 1.641 1.00 0.00 C ATOM 0 H VAL A 40 -1.107 7.490 3.220 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.609 5.015 4.719 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.873 3.816 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.592 4.506 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.212 4.529 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.775 6.053 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.239 4.920 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.291 6.497 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.903 5.274 2.004 1.00 0.00 H new ATOM 675 N THR A 41 0.748 4.648 5.454 1.00 0.00 N ATOM 676 CA THR A 41 2.091 4.482 5.955 1.00 0.00 C ATOM 677 C THR A 41 2.779 3.341 5.220 1.00 0.00 C ATOM 678 O THR A 41 2.112 2.484 4.622 1.00 0.00 O ATOM 679 CB THR A 41 2.084 4.209 7.473 1.00 0.00 C ATOM 680 OG1 THR A 41 1.200 3.121 7.772 1.00 0.00 O ATOM 681 CG2 THR A 41 1.650 5.444 8.248 1.00 0.00 C ATOM 0 H THR A 41 0.051 4.048 5.896 1.00 0.00 H new ATOM 0 HA THR A 41 2.641 5.406 5.780 1.00 0.00 H new ATOM 0 HB THR A 41 3.099 3.949 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.409 2.764 8.660 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.654 5.224 9.315 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.340 6.263 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.645 5.732 7.941 1.00 0.00 H new ATOM 689 N PRO A 42 4.120 3.311 5.231 1.00 0.00 N ATOM 690 CA PRO A 42 4.886 2.227 4.612 1.00 0.00 C ATOM 691 C PRO A 42 4.500 0.864 5.185 1.00 0.00 C ATOM 692 O PRO A 42 4.667 -0.166 4.530 1.00 0.00 O ATOM 693 CB PRO A 42 6.347 2.567 4.944 1.00 0.00 C ATOM 694 CG PRO A 42 6.287 3.593 6.025 1.00 0.00 C ATOM 695 CD PRO A 42 4.995 4.331 5.831 1.00 0.00 C ATOM 0 HA PRO A 42 4.701 2.154 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.890 1.681 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.868 2.952 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.324 3.125 7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.137 4.273 5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.596 4.701 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.117 5.194 5.177 1.00 0.00 H new ATOM 703 N GLU A 43 3.964 0.886 6.405 1.00 0.00 N ATOM 704 CA GLU A 43 3.465 -0.314 7.066 1.00 0.00 C ATOM 705 C GLU A 43 2.399 -0.976 6.204 1.00 0.00 C ATOM 706 O GLU A 43 2.512 -2.139 5.839 1.00 0.00 O ATOM 707 CB GLU A 43 2.835 0.048 8.412 1.00 0.00 C ATOM 708 CG GLU A 43 3.675 0.974 9.273 1.00 0.00 C ATOM 709 CD GLU A 43 2.918 1.447 10.498 1.00 0.00 C ATOM 710 OE1 GLU A 43 2.092 2.375 10.364 1.00 0.00 O ATOM 711 OE2 GLU A 43 3.139 0.887 11.593 1.00 0.00 O ATOM 0 H GLU A 43 3.865 1.736 6.960 1.00 0.00 H new ATOM 0 HA GLU A 43 4.303 -0.994 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.868 0.518 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.644 -0.870 8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.583 0.457 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.986 1.836 8.683 1.00 0.00 H new ATOM 718 N LEU A 44 1.375 -0.197 5.865 1.00 0.00 N ATOM 719 CA LEU A 44 0.230 -0.696 5.112 1.00 0.00 C ATOM 720 C LEU A 44 0.634 -1.140 3.715 1.00 0.00 C ATOM 721 O LEU A 44 0.150 -2.157 3.219 1.00 0.00 O ATOM 722 CB LEU A 44 -0.868 0.372 5.022 1.00 0.00 C ATOM 723 CG LEU A 44 -1.857 0.412 6.196 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.130 0.578 7.523 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.860 1.537 5.998 1.00 0.00 C ATOM 0 H LEU A 44 1.316 0.793 6.104 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.159 -1.562 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.392 1.349 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.431 0.211 4.102 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.390 -0.538 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.856 0.603 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.448 -0.259 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.564 1.509 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.556 1.556 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.332 2.489 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.412 1.374 5.072 1.00 0.00 H new ATOM 737 N VAL A 45 1.523 -0.377 3.087 1.00 0.00 N ATOM 738 CA VAL A 45 2.003 -0.719 1.752 1.00 0.00 C ATOM 739 C VAL A 45 2.691 -2.079 1.756 1.00 0.00 C ATOM 740 O VAL A 45 2.401 -2.940 0.924 1.00 0.00 O ATOM 741 CB VAL A 45 2.980 0.340 1.206 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.439 -0.024 -0.198 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.337 1.715 1.223 1.00 0.00 C ATOM 0 H VAL A 45 1.923 0.476 3.477 1.00 0.00 H new ATOM 0 HA VAL A 45 1.129 -0.753 1.102 1.00 0.00 H new ATOM 0 HB VAL A 45 3.857 0.364 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.128 0.737 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.943 -0.990 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.575 -0.080 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.041 2.451 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.442 1.706 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.066 1.977 2.246 1.00 0.00 H new ATOM 753 N GLU A 46 3.588 -2.273 2.710 1.00 0.00 N ATOM 754 CA GLU A 46 4.314 -3.521 2.819 1.00 0.00 C ATOM 755 C GLU A 46 3.378 -4.631 3.284 1.00 0.00 C ATOM 756 O GLU A 46 3.428 -5.747 2.772 1.00 0.00 O ATOM 757 CB GLU A 46 5.495 -3.359 3.772 1.00 0.00 C ATOM 758 CG GLU A 46 6.465 -4.523 3.744 1.00 0.00 C ATOM 759 CD GLU A 46 7.781 -4.183 4.405 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.646 -3.577 3.735 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.954 -4.504 5.596 1.00 0.00 O ATOM 0 H GLU A 46 3.828 -1.580 3.419 1.00 0.00 H new ATOM 0 HA GLU A 46 4.706 -3.796 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.031 -2.444 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.117 -3.237 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.017 -5.379 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.645 -4.820 2.711 1.00 0.00 H new ATOM 768 N GLN A 47 2.508 -4.307 4.236 1.00 0.00 N ATOM 769 CA GLN A 47 1.524 -5.261 4.740 1.00 0.00 C ATOM 770 C GLN A 47 0.688 -5.818 3.594 1.00 0.00 C ATOM 771 O GLN A 47 0.511 -7.025 3.478 1.00 0.00 O ATOM 772 CB GLN A 47 0.612 -4.603 5.781 1.00 0.00 C ATOM 773 CG GLN A 47 -0.423 -5.546 6.377 1.00 0.00 C ATOM 774 CD GLN A 47 0.202 -6.677 7.175 1.00 0.00 C ATOM 775 OE1 GLN A 47 1.256 -6.514 7.791 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.431 -7.837 7.152 1.00 0.00 N ATOM 0 H GLN A 47 2.464 -3.388 4.676 1.00 0.00 H new ATOM 0 HA GLN A 47 2.061 -6.081 5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.227 -4.199 6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.098 -3.760 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.095 -4.980 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.030 -5.966 5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.302 -7.932 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.048 -8.637 7.656 1.00 0.00 H new ATOM 785 N ALA A 48 0.195 -4.930 2.739 1.00 0.00 N ATOM 786 CA ALA A 48 -0.575 -5.342 1.573 1.00 0.00 C ATOM 787 C ALA A 48 0.271 -6.208 0.650 1.00 0.00 C ATOM 788 O ALA A 48 -0.221 -7.170 0.063 1.00 0.00 O ATOM 789 CB ALA A 48 -1.106 -4.130 0.829 1.00 0.00 C ATOM 0 H ALA A 48 0.315 -3.921 2.831 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.424 -5.934 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.678 -4.458 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.750 -3.550 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.272 -3.511 0.500 1.00 0.00 H new ATOM 795 N ARG A 49 1.555 -5.881 0.551 1.00 0.00 N ATOM 796 CA ARG A 49 2.471 -6.642 -0.286 1.00 0.00 C ATOM 797 C ARG A 49 2.638 -8.045 0.289 1.00 0.00 C ATOM 798 O ARG A 49 2.739 -9.027 -0.443 1.00 0.00 O ATOM 799 CB ARG A 49 3.824 -5.937 -0.372 1.00 0.00 C ATOM 800 CG ARG A 49 4.799 -6.613 -1.318 1.00 0.00 C ATOM 801 CD ARG A 49 6.166 -5.962 -1.257 1.00 0.00 C ATOM 802 NE ARG A 49 7.152 -6.681 -2.059 1.00 0.00 N ATOM 803 CZ ARG A 49 8.457 -6.711 -1.789 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.941 -6.061 -0.733 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.285 -7.386 -2.579 1.00 0.00 N ATOM 0 H ARG A 49 1.983 -5.095 1.040 1.00 0.00 H new ATOM 0 HA ARG A 49 2.060 -6.714 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.669 -4.908 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.266 -5.894 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.885 -7.669 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.415 -6.563 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.093 -4.933 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.502 -5.921 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 49 6.821 -7.192 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.312 -5.536 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.941 -6.088 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.922 -7.882 -3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.283 -7.408 -2.371 1.00 0.00 H new ATOM 819 N LEU A 50 2.640 -8.118 1.612 1.00 0.00 N ATOM 820 CA LEU A 50 2.747 -9.382 2.317 1.00 0.00 C ATOM 821 C LEU A 50 1.452 -10.175 2.174 1.00 0.00 C ATOM 822 O LEU A 50 1.480 -11.385 1.958 1.00 0.00 O ATOM 823 CB LEU A 50 3.062 -9.131 3.796 1.00 0.00 C ATOM 824 CG LEU A 50 4.196 -9.978 4.379 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.848 -11.455 4.315 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.497 -9.704 3.637 1.00 0.00 C ATOM 0 H LEU A 50 2.568 -7.304 2.223 1.00 0.00 H new ATOM 0 HA LEU A 50 3.559 -9.964 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.316 -8.078 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.159 -9.313 4.378 1.00 0.00 H new ATOM 0 HG LEU A 50 4.329 -9.703 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.667 -12.040 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.939 -11.640 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.688 -11.746 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.294 -10.313 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.374 -9.952 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.756 -8.650 3.733 1.00 0.00 H new ATOM 838 N GLU A 51 0.322 -9.477 2.278 1.00 0.00 N ATOM 839 CA GLU A 51 -0.994 -10.086 2.095 1.00 0.00 C ATOM 840 C GLU A 51 -1.058 -10.840 0.771 1.00 0.00 C ATOM 841 O GLU A 51 -1.419 -12.014 0.732 1.00 0.00 O ATOM 842 CB GLU A 51 -2.096 -9.022 2.125 1.00 0.00 C ATOM 843 CG GLU A 51 -2.304 -8.373 3.486 1.00 0.00 C ATOM 844 CD GLU A 51 -2.791 -9.350 4.536 1.00 0.00 C ATOM 845 OE1 GLU A 51 -3.618 -10.228 4.205 1.00 0.00 O ATOM 846 OE2 GLU A 51 -2.370 -9.232 5.704 1.00 0.00 O ATOM 0 H GLU A 51 0.293 -8.480 2.490 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.152 -10.786 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.855 -8.246 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.033 -9.478 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.366 -7.928 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.025 -7.561 3.390 1.00 0.00 H new ATOM 853 N PHE A 52 -0.683 -10.163 -0.309 1.00 0.00 N ATOM 854 CA PHE A 52 -0.726 -10.766 -1.637 1.00 0.00 C ATOM 855 C PHE A 52 0.350 -11.834 -1.782 1.00 0.00 C ATOM 856 O PHE A 52 0.192 -12.782 -2.548 1.00 0.00 O ATOM 857 CB PHE A 52 -0.591 -9.703 -2.728 1.00 0.00 C ATOM 858 CG PHE A 52 -1.787 -8.801 -2.815 1.00 0.00 C ATOM 859 CD1 PHE A 52 -3.003 -9.291 -3.264 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.704 -7.472 -2.439 1.00 0.00 C ATOM 861 CE1 PHE A 52 -4.112 -8.470 -3.335 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.811 -6.648 -2.505 1.00 0.00 C ATOM 863 CZ PHE A 52 -4.015 -7.147 -2.954 1.00 0.00 C ATOM 0 H PHE A 52 -0.347 -9.200 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.697 -11.246 -1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.298 -9.102 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.441 -10.194 -3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.085 -10.326 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.763 -7.074 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.054 -8.863 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.733 -5.613 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.881 -6.504 -3.008 1.00 0.00 H new ATOM 873 N GLY A 53 1.432 -11.684 -1.025 1.00 0.00 N ATOM 874 CA GLY A 53 2.475 -12.694 -1.002 1.00 0.00 C ATOM 875 C GLY A 53 1.999 -13.979 -0.348 1.00 0.00 C ATOM 876 O GLY A 53 2.593 -15.041 -0.530 1.00 0.00 O ATOM 0 H GLY A 53 1.606 -10.878 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.801 -12.903 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.341 -12.310 -0.463 1.00 0.00 H new ATOM 880 N GLN A 54 0.927 -13.870 0.429 1.00 0.00 N ATOM 881 CA GLN A 54 0.320 -15.027 1.073 1.00 0.00 C ATOM 882 C GLN A 54 -0.891 -15.508 0.272 1.00 0.00 C ATOM 883 O GLN A 54 -1.263 -16.679 0.331 1.00 0.00 O ATOM 884 CB GLN A 54 -0.113 -14.671 2.496 1.00 0.00 C ATOM 885 CG GLN A 54 1.010 -14.126 3.363 1.00 0.00 C ATOM 886 CD GLN A 54 0.516 -13.621 4.706 1.00 0.00 C ATOM 887 OE1 GLN A 54 -0.625 -13.176 4.837 1.00 0.00 O ATOM 888 NE2 GLN A 54 1.375 -13.674 5.707 1.00 0.00 N ATOM 0 H GLN A 54 0.459 -12.986 0.628 1.00 0.00 H new ATOM 0 HA GLN A 54 1.059 -15.827 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.913 -13.932 2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.528 -15.559 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.753 -14.908 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.511 -13.314 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.311 -14.050 5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.103 -13.339 6.631 1.00 0.00 H new ATOM 897 N LEU A 55 -1.508 -14.585 -0.462 1.00 0.00 N ATOM 898 CA LEU A 55 -2.684 -14.900 -1.269 1.00 0.00 C ATOM 899 C LEU A 55 -2.297 -15.632 -2.544 1.00 0.00 C ATOM 900 O LEU A 55 -2.977 -16.571 -2.966 1.00 0.00 O ATOM 901 CB LEU A 55 -3.454 -13.625 -1.624 1.00 0.00 C ATOM 902 CG LEU A 55 -4.125 -12.918 -0.447 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.812 -11.648 -0.919 1.00 0.00 C ATOM 904 CD2 LEU A 55 -5.122 -13.845 0.229 1.00 0.00 C ATOM 0 H LEU A 55 -1.212 -13.610 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.324 -15.551 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.767 -12.927 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.218 -13.875 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.360 -12.648 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.286 -11.154 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.075 -10.979 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.569 -11.898 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.591 -13.327 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.886 -14.143 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.604 -14.731 0.596 1.00 0.00 H new ATOM 916 N GLU A 56 -1.212 -15.197 -3.164 1.00 0.00 N ATOM 917 CA GLU A 56 -0.744 -15.833 -4.379 1.00 0.00 C ATOM 918 C GLU A 56 -0.010 -17.120 -4.051 1.00 0.00 C ATOM 919 O GLU A 56 0.504 -17.294 -2.944 1.00 0.00 O ATOM 920 CB GLU A 56 0.187 -14.916 -5.178 1.00 0.00 C ATOM 921 CG GLU A 56 -0.468 -13.637 -5.663 1.00 0.00 C ATOM 922 CD GLU A 56 0.239 -13.052 -6.871 1.00 0.00 C ATOM 923 OE1 GLU A 56 1.481 -12.935 -6.852 1.00 0.00 O ATOM 924 OE2 GLU A 56 -0.444 -12.749 -7.870 1.00 0.00 O ATOM 0 H GLU A 56 -0.644 -14.411 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.622 -16.049 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.046 -14.659 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.569 -15.465 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.509 -13.838 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.471 -12.904 -4.856 1.00 0.00 H new ATOM 931 N HIS A 57 0.029 -18.025 -5.011 1.00 0.00 N ATOM 932 CA HIS A 57 0.833 -19.227 -4.875 1.00 0.00 C ATOM 933 C HIS A 57 2.298 -18.824 -4.861 1.00 0.00 C ATOM 934 O HIS A 57 2.683 -17.868 -5.531 1.00 0.00 O ATOM 935 CB HIS A 57 0.564 -20.209 -6.020 1.00 0.00 C ATOM 936 CG HIS A 57 -0.853 -20.691 -6.090 1.00 0.00 C ATOM 937 ND1 HIS A 57 -1.293 -21.842 -5.476 1.00 0.00 N ATOM 938 CD2 HIS A 57 -1.933 -20.171 -6.719 1.00 0.00 C ATOM 939 CE1 HIS A 57 -2.578 -22.008 -5.725 1.00 0.00 C ATOM 940 NE2 HIS A 57 -2.991 -21.007 -6.478 1.00 0.00 N ATOM 0 H HIS A 57 -0.484 -17.952 -5.890 1.00 0.00 H new ATOM 0 HA HIS A 57 0.570 -19.732 -3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.821 -19.729 -6.964 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.224 -21.069 -5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.956 -19.263 -7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.189 -22.826 -5.372 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.942 -20.877 -6.824 1.00 0.00 H new ATOM 949 N HIS A 58 3.109 -19.532 -4.095 1.00 0.00 N ATOM 950 CA HIS A 58 4.514 -19.171 -3.953 1.00 0.00 C ATOM 951 C HIS A 58 5.236 -19.364 -5.281 1.00 0.00 C ATOM 952 O HIS A 58 5.435 -20.490 -5.741 1.00 0.00 O ATOM 953 CB HIS A 58 5.175 -19.983 -2.837 1.00 0.00 C ATOM 954 CG HIS A 58 4.578 -19.721 -1.484 1.00 0.00 C ATOM 955 ND1 HIS A 58 5.001 -18.704 -0.651 1.00 0.00 N ATOM 956 CD2 HIS A 58 3.565 -20.338 -0.829 1.00 0.00 C ATOM 957 CE1 HIS A 58 4.277 -18.713 0.455 1.00 0.00 C ATOM 958 NE2 HIS A 58 3.401 -19.693 0.370 1.00 0.00 N ATOM 0 H HIS A 58 2.825 -20.355 -3.564 1.00 0.00 H new ATOM 0 HA HIS A 58 4.582 -18.119 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.086 -21.045 -3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.240 -19.751 -2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.993 -21.182 -1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.385 -18.033 1.287 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.711 -19.934 1.082 1.00 0.00 H new ATOM 967 N HIS A 59 5.615 -18.248 -5.891 1.00 0.00 N ATOM 968 CA HIS A 59 6.113 -18.249 -7.261 1.00 0.00 C ATOM 969 C HIS A 59 7.601 -18.548 -7.325 1.00 0.00 C ATOM 970 O HIS A 59 8.411 -17.803 -6.775 1.00 0.00 O ATOM 971 CB HIS A 59 5.874 -16.891 -7.936 1.00 0.00 C ATOM 972 CG HIS A 59 4.472 -16.375 -7.852 1.00 0.00 C ATOM 973 ND1 HIS A 59 3.395 -16.972 -8.471 1.00 0.00 N ATOM 974 CD2 HIS A 59 3.983 -15.278 -7.232 1.00 0.00 C ATOM 975 CE1 HIS A 59 2.307 -16.262 -8.236 1.00 0.00 C ATOM 976 NE2 HIS A 59 2.639 -15.227 -7.487 1.00 0.00 N ATOM 0 H HIS A 59 5.587 -17.326 -5.456 1.00 0.00 H new ATOM 0 HA HIS A 59 5.564 -19.033 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.542 -16.157 -7.485 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.152 -16.972 -8.987 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.549 -14.571 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.314 -16.489 -8.595 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.999 -14.507 -7.153 1.00 0.00 H new ATOM 985 N HIS A 60 7.942 -19.649 -7.994 1.00 0.00 N ATOM 986 CA HIS A 60 9.316 -19.923 -8.419 1.00 0.00 C ATOM 987 C HIS A 60 10.256 -20.222 -7.241 1.00 0.00 C ATOM 988 O HIS A 60 9.945 -19.946 -6.077 1.00 0.00 O ATOM 989 CB HIS A 60 9.828 -18.727 -9.244 1.00 0.00 C ATOM 990 CG HIS A 60 11.186 -18.904 -9.858 1.00 0.00 C ATOM 991 ND1 HIS A 60 11.487 -19.912 -10.743 1.00 0.00 N ATOM 992 CD2 HIS A 60 12.325 -18.183 -9.716 1.00 0.00 C ATOM 993 CE1 HIS A 60 12.745 -19.806 -11.120 1.00 0.00 C ATOM 994 NE2 HIS A 60 13.279 -18.763 -10.513 1.00 0.00 N ATOM 0 H HIS A 60 7.276 -20.375 -8.257 1.00 0.00 H new ATOM 0 HA HIS A 60 9.309 -20.825 -9.031 1.00 0.00 H new ATOM 0 HB2 HIS A 60 9.112 -18.523 -10.040 1.00 0.00 H new ATOM 0 HB3 HIS A 60 9.850 -17.847 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 60 12.457 -17.312 -9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 60 13.254 -20.463 -11.810 1.00 0.00 H new ATOM 0 HE2 HIS A 60 14.241 -18.442 -10.619 1.00 0.00 H new ATOM 1003 N HIS A 61 11.389 -20.844 -7.564 1.00 0.00 N ATOM 1004 CA HIS A 61 12.486 -21.027 -6.622 1.00 0.00 C ATOM 1005 C HIS A 61 12.819 -19.704 -5.934 1.00 0.00 C ATOM 1006 O HIS A 61 13.031 -18.684 -6.589 1.00 0.00 O ATOM 1007 CB HIS A 61 13.718 -21.582 -7.353 1.00 0.00 C ATOM 1008 CG HIS A 61 14.971 -21.595 -6.529 1.00 0.00 C ATOM 1009 ND1 HIS A 61 16.075 -20.837 -6.841 1.00 0.00 N ATOM 1010 CD2 HIS A 61 15.291 -22.274 -5.406 1.00 0.00 C ATOM 1011 CE1 HIS A 61 17.017 -21.047 -5.946 1.00 0.00 C ATOM 1012 NE2 HIS A 61 16.568 -21.916 -5.059 1.00 0.00 N ATOM 0 H HIS A 61 11.570 -21.235 -8.489 1.00 0.00 H new ATOM 0 HA HIS A 61 12.182 -21.743 -5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.503 -22.599 -7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.893 -20.987 -8.249 1.00 0.00 H new ATOM 0 HD2 HIS A 61 14.657 -22.971 -4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.994 -20.586 -5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 61 17.085 -22.263 -4.251 1.00 0.00 H new ATOM 1021 N HIS A 62 12.857 -19.738 -4.620 1.00 0.00 N ATOM 1022 CA HIS A 62 13.076 -18.546 -3.823 1.00 0.00 C ATOM 1023 C HIS A 62 14.069 -18.838 -2.710 1.00 0.00 C ATOM 1024 O HIS A 62 15.070 -18.106 -2.600 1.00 0.00 O ATOM 1025 CB HIS A 62 11.747 -18.027 -3.255 1.00 0.00 C ATOM 1026 CG HIS A 62 10.914 -19.082 -2.595 1.00 0.00 C ATOM 1027 ND1 HIS A 62 10.035 -19.886 -3.291 1.00 0.00 N ATOM 1028 CD2 HIS A 62 10.827 -19.469 -1.301 1.00 0.00 C ATOM 1029 CE1 HIS A 62 9.443 -20.714 -2.454 1.00 0.00 C ATOM 1030 NE2 HIS A 62 9.906 -20.484 -1.239 1.00 0.00 N ATOM 1031 OXT HIS A 62 13.865 -19.824 -1.978 1.00 0.00 O ATOM 0 H HIS A 62 12.737 -20.590 -4.072 1.00 0.00 H new ATOM 0 HA HIS A 62 13.495 -17.767 -4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.956 -17.238 -2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.170 -17.575 -4.062 1.00 0.00 H new ATOM 0 HD1 HIS A 62 9.869 -19.846 -4.297 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.380 -19.055 -0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.704 -21.456 -2.717 1.00 0.00 H new TER 1040 HIS A 62