USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -127:sc= 0 (180deg=-0.12) USER MOD Single : A 14 GLN : amide:sc= -0.0793 K(o=-0.079,f=-1.9!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0.992 (180deg=0.87) USER MOD Single : A 28 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 35 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.9) USER MOD Single : A 37 MET CE :methyl -111:sc= -6.52! (180deg=-12.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.425 -4.636 7.603 1.00 0.00 N ATOM 2 CA GLY A 1 -31.640 -5.022 8.985 1.00 0.00 C ATOM 3 C GLY A 1 -33.062 -4.767 9.444 1.00 0.00 C ATOM 4 O GLY A 1 -33.490 -3.618 9.552 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.438 -4.830 7.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.063 -5.180 6.987 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.620 -3.620 7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.408 -6.080 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.951 -4.471 9.624 1.00 0.00 H new ATOM 8 N SER A 2 -33.797 -5.842 9.714 1.00 0.00 N ATOM 9 CA SER A 2 -35.181 -5.729 10.158 1.00 0.00 C ATOM 10 C SER A 2 -35.255 -5.115 11.553 1.00 0.00 C ATOM 11 O SER A 2 -36.132 -4.299 11.838 1.00 0.00 O ATOM 12 CB SER A 2 -35.852 -7.104 10.157 1.00 0.00 C ATOM 13 OG SER A 2 -37.227 -7.000 10.485 1.00 0.00 O ATOM 0 H SER A 2 -33.457 -6.800 9.633 1.00 0.00 H new ATOM 0 HA SER A 2 -35.708 -5.075 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.743 -7.565 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.352 -7.757 10.873 1.00 0.00 H new ATOM 0 HG SER A 2 -37.634 -7.892 10.476 1.00 0.00 H new ATOM 19 N SER A 3 -34.329 -5.514 12.418 1.00 0.00 N ATOM 20 CA SER A 3 -34.290 -5.007 13.785 1.00 0.00 C ATOM 21 C SER A 3 -32.942 -4.361 14.087 1.00 0.00 C ATOM 22 O SER A 3 -31.894 -4.868 13.689 1.00 0.00 O ATOM 23 CB SER A 3 -34.561 -6.138 14.779 1.00 0.00 C ATOM 24 OG SER A 3 -35.082 -5.633 15.996 1.00 0.00 O ATOM 0 H SER A 3 -33.595 -6.187 12.197 1.00 0.00 H new ATOM 0 HA SER A 3 -35.067 -4.249 13.887 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.266 -6.847 14.345 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.638 -6.684 14.974 1.00 0.00 H new ATOM 0 HG SER A 3 -35.248 -6.375 16.614 1.00 0.00 H new ATOM 30 N GLY A 4 -32.977 -3.236 14.795 1.00 0.00 N ATOM 31 CA GLY A 4 -31.752 -2.537 15.139 1.00 0.00 C ATOM 32 C GLY A 4 -31.193 -1.740 13.977 1.00 0.00 C ATOM 33 O GLY A 4 -31.448 -2.060 12.816 1.00 0.00 O ATOM 0 H GLY A 4 -33.832 -2.796 15.136 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.943 -1.866 15.977 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.007 -3.259 15.472 1.00 0.00 H new ATOM 37 N SER A 5 -30.430 -0.698 14.289 1.00 0.00 N ATOM 38 CA SER A 5 -29.838 0.151 13.262 1.00 0.00 C ATOM 39 C SER A 5 -28.370 -0.202 13.045 1.00 0.00 C ATOM 40 O SER A 5 -27.704 -0.715 13.944 1.00 0.00 O ATOM 41 CB SER A 5 -29.968 1.625 13.652 1.00 0.00 C ATOM 42 OG SER A 5 -31.259 2.122 13.347 1.00 0.00 O ATOM 0 H SER A 5 -30.207 -0.421 15.245 1.00 0.00 H new ATOM 0 HA SER A 5 -30.376 -0.020 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.773 1.741 14.718 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.215 2.211 13.125 1.00 0.00 H new ATOM 0 HG SER A 5 -31.316 3.065 13.607 1.00 0.00 H new ATOM 48 N SER A 6 -27.872 0.077 11.844 1.00 0.00 N ATOM 49 CA SER A 6 -26.484 -0.215 11.506 1.00 0.00 C ATOM 50 C SER A 6 -25.790 1.023 10.945 1.00 0.00 C ATOM 51 O SER A 6 -26.250 1.618 9.972 1.00 0.00 O ATOM 52 CB SER A 6 -26.413 -1.357 10.491 1.00 0.00 C ATOM 53 OG SER A 6 -26.514 -2.617 11.133 1.00 0.00 O ATOM 0 H SER A 6 -28.409 0.505 11.090 1.00 0.00 H new ATOM 0 HA SER A 6 -25.970 -0.517 12.418 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.217 -1.251 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.474 -1.300 9.940 1.00 0.00 H new ATOM 0 HG SER A 6 -26.468 -3.330 10.463 1.00 0.00 H new ATOM 59 N GLY A 7 -24.679 1.405 11.568 1.00 0.00 N ATOM 60 CA GLY A 7 -23.939 2.569 11.118 1.00 0.00 C ATOM 61 C GLY A 7 -24.529 3.866 11.634 1.00 0.00 C ATOM 62 O GLY A 7 -25.477 4.398 11.057 1.00 0.00 O ATOM 0 H GLY A 7 -24.279 0.929 12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.904 2.488 11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.925 2.588 10.028 1.00 0.00 H new ATOM 66 N ASN A 8 -23.969 4.376 12.726 1.00 0.00 N ATOM 67 CA ASN A 8 -24.447 5.618 13.322 1.00 0.00 C ATOM 68 C ASN A 8 -23.644 6.811 12.813 1.00 0.00 C ATOM 69 O ASN A 8 -24.200 7.752 12.248 1.00 0.00 O ATOM 70 CB ASN A 8 -24.359 5.544 14.848 1.00 0.00 C ATOM 71 CG ASN A 8 -25.328 6.489 15.530 1.00 0.00 C ATOM 72 OD1 ASN A 8 -25.001 7.646 15.796 1.00 0.00 O ATOM 73 ND2 ASN A 8 -26.529 6.000 15.818 1.00 0.00 N ATOM 0 H ASN A 8 -23.183 3.948 13.216 1.00 0.00 H new ATOM 0 HA ASN A 8 -25.489 5.753 13.031 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -24.563 4.523 15.172 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -23.343 5.781 15.162 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -27.223 6.590 16.278 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -26.757 5.035 15.579 1.00 0.00 H new ATOM 80 N GLY A 9 -22.331 6.763 13.016 1.00 0.00 N ATOM 81 CA GLY A 9 -21.471 7.845 12.571 1.00 0.00 C ATOM 82 C GLY A 9 -20.573 7.435 11.421 1.00 0.00 C ATOM 83 O GLY A 9 -21.042 7.224 10.303 1.00 0.00 O ATOM 0 H GLY A 9 -21.847 5.995 13.481 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -22.086 8.691 12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.856 8.183 13.405 1.00 0.00 H new ATOM 87 N MET A 10 -19.277 7.325 11.694 1.00 0.00 N ATOM 88 CA MET A 10 -18.310 6.939 10.673 1.00 0.00 C ATOM 89 C MET A 10 -17.636 5.619 11.034 1.00 0.00 C ATOM 90 O MET A 10 -16.462 5.407 10.728 1.00 0.00 O ATOM 91 CB MET A 10 -17.256 8.033 10.499 1.00 0.00 C ATOM 92 CG MET A 10 -16.336 8.188 11.699 1.00 0.00 C ATOM 93 SD MET A 10 -15.292 9.654 11.590 1.00 0.00 S ATOM 94 CE MET A 10 -16.471 10.941 11.990 1.00 0.00 C ATOM 0 H MET A 10 -18.872 7.498 12.614 1.00 0.00 H new ATOM 0 HA MET A 10 -18.845 6.808 9.732 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.655 7.810 9.617 1.00 0.00 H new ATOM 0 HB3 MET A 10 -17.757 8.982 10.311 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.936 8.241 12.607 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.705 7.303 11.785 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.455 11.704 11.211 1.00 0.00 H new ATOM 0 HE2 MET A 10 -17.470 10.511 12.057 1.00 0.00 H new ATOM 0 HE3 MET A 10 -16.206 11.393 12.946 1.00 0.00 H new ATOM 104 N ASP A 11 -18.385 4.736 11.685 1.00 0.00 N ATOM 105 CA ASP A 11 -17.859 3.437 12.087 1.00 0.00 C ATOM 106 C ASP A 11 -17.867 2.461 10.914 1.00 0.00 C ATOM 107 O ASP A 11 -16.863 1.810 10.630 1.00 0.00 O ATOM 108 CB ASP A 11 -18.678 2.868 13.246 1.00 0.00 C ATOM 109 CG ASP A 11 -18.726 3.805 14.437 1.00 0.00 C ATOM 110 OD1 ASP A 11 -17.646 4.162 14.955 1.00 0.00 O ATOM 111 OD2 ASP A 11 -19.842 4.183 14.850 1.00 0.00 O ATOM 0 H ASP A 11 -19.358 4.896 11.946 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.829 3.575 12.414 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -19.693 2.667 12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -18.251 1.914 13.555 1.00 0.00 H new ATOM 116 N GLU A 12 -19.008 2.365 10.239 1.00 0.00 N ATOM 117 CA GLU A 12 -19.147 1.467 9.099 1.00 0.00 C ATOM 118 C GLU A 12 -18.169 1.841 7.989 1.00 0.00 C ATOM 119 O GLU A 12 -17.625 0.972 7.309 1.00 0.00 O ATOM 120 CB GLU A 12 -20.580 1.504 8.564 1.00 0.00 C ATOM 121 CG GLU A 12 -20.756 0.772 7.244 1.00 0.00 C ATOM 122 CD GLU A 12 -22.134 0.156 7.097 1.00 0.00 C ATOM 123 OE1 GLU A 12 -23.001 0.434 7.952 1.00 0.00 O ATOM 124 OE2 GLU A 12 -22.344 -0.605 6.130 1.00 0.00 O ATOM 0 H GLU A 12 -19.849 2.898 10.462 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.918 0.456 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -21.247 1.064 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.885 2.543 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.583 1.467 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.002 -0.011 7.164 1.00 0.00 H new ATOM 131 N GLU A 13 -17.950 3.141 7.814 1.00 0.00 N ATOM 132 CA GLU A 13 -17.039 3.630 6.786 1.00 0.00 C ATOM 133 C GLU A 13 -15.634 3.071 6.995 1.00 0.00 C ATOM 134 O GLU A 13 -14.915 2.799 6.033 1.00 0.00 O ATOM 135 CB GLU A 13 -16.998 5.160 6.796 1.00 0.00 C ATOM 136 CG GLU A 13 -15.912 5.745 5.908 1.00 0.00 C ATOM 137 CD GLU A 13 -14.616 5.990 6.656 1.00 0.00 C ATOM 138 OE1 GLU A 13 -14.496 5.521 7.806 1.00 0.00 O ATOM 139 OE2 GLU A 13 -13.721 6.652 6.089 1.00 0.00 O ATOM 0 H GLU A 13 -18.391 3.873 8.370 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.407 3.290 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.966 5.543 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.844 5.504 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.724 5.067 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.264 6.684 5.481 1.00 0.00 H new ATOM 146 N GLN A 14 -15.251 2.904 8.256 1.00 0.00 N ATOM 147 CA GLN A 14 -13.933 2.379 8.591 1.00 0.00 C ATOM 148 C GLN A 14 -13.837 0.894 8.256 1.00 0.00 C ATOM 149 O GLN A 14 -12.864 0.446 7.650 1.00 0.00 O ATOM 150 CB GLN A 14 -13.634 2.599 10.074 1.00 0.00 C ATOM 151 CG GLN A 14 -12.981 3.940 10.371 1.00 0.00 C ATOM 152 CD GLN A 14 -12.176 3.926 11.655 1.00 0.00 C ATOM 153 OE1 GLN A 14 -12.039 2.888 12.304 1.00 0.00 O ATOM 154 NE2 GLN A 14 -11.637 5.080 12.029 1.00 0.00 N ATOM 0 H GLN A 14 -15.835 3.125 9.063 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.195 2.916 7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.563 2.524 10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.981 1.800 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.329 4.214 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.752 4.708 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.776 5.916 11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.084 5.131 12.884 1.00 0.00 H new ATOM 163 N ARG A 15 -14.853 0.136 8.655 1.00 0.00 N ATOM 164 CA ARG A 15 -14.883 -1.299 8.399 1.00 0.00 C ATOM 165 C ARG A 15 -14.644 -1.592 6.920 1.00 0.00 C ATOM 166 O ARG A 15 -13.798 -2.415 6.570 1.00 0.00 O ATOM 167 CB ARG A 15 -16.225 -1.889 8.836 1.00 0.00 C ATOM 168 CG ARG A 15 -16.604 -1.544 10.267 1.00 0.00 C ATOM 169 CD ARG A 15 -17.900 -2.226 10.679 1.00 0.00 C ATOM 170 NE ARG A 15 -18.943 -2.076 9.668 1.00 0.00 N ATOM 171 CZ ARG A 15 -20.076 -2.769 9.673 1.00 0.00 C ATOM 172 NH1 ARG A 15 -20.311 -3.656 10.631 1.00 0.00 N ATOM 173 NH2 ARG A 15 -20.978 -2.576 8.719 1.00 0.00 N ATOM 0 H ARG A 15 -15.667 0.492 9.157 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.084 -1.763 8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.006 -1.530 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.188 -2.973 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.802 -1.847 10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.712 -0.464 10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.713 -3.286 10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.247 -1.805 11.623 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.793 -1.402 8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.621 -3.807 11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.182 -4.187 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.802 -1.895 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.848 -3.109 8.724 1.00 0.00 H new ATOM 187 N GLN A 16 -15.395 -0.914 6.059 1.00 0.00 N ATOM 188 CA GLN A 16 -15.265 -1.103 4.619 1.00 0.00 C ATOM 189 C GLN A 16 -13.812 -0.955 4.179 1.00 0.00 C ATOM 190 O GLN A 16 -13.333 -1.696 3.320 1.00 0.00 O ATOM 191 CB GLN A 16 -16.141 -0.098 3.870 1.00 0.00 C ATOM 192 CG GLN A 16 -17.631 -0.315 4.079 1.00 0.00 C ATOM 193 CD GLN A 16 -18.480 0.489 3.114 1.00 0.00 C ATOM 194 OE1 GLN A 16 -18.354 1.711 3.030 1.00 0.00 O ATOM 195 NE2 GLN A 16 -19.350 -0.194 2.379 1.00 0.00 N ATOM 0 H GLN A 16 -16.100 -0.229 6.333 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.597 -2.113 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.880 0.910 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.919 -0.159 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.860 -1.374 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.894 -0.043 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.420 -1.206 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.948 0.294 1.712 1.00 0.00 H new ATOM 204 N LYS A 17 -13.114 0.007 4.774 1.00 0.00 N ATOM 205 CA LYS A 17 -11.715 0.252 4.446 1.00 0.00 C ATOM 206 C LYS A 17 -10.808 -0.766 5.130 1.00 0.00 C ATOM 207 O LYS A 17 -9.711 -1.055 4.651 1.00 0.00 O ATOM 208 CB LYS A 17 -11.313 1.669 4.862 1.00 0.00 C ATOM 209 CG LYS A 17 -11.818 2.747 3.918 1.00 0.00 C ATOM 210 CD LYS A 17 -12.092 4.048 4.653 1.00 0.00 C ATOM 211 CE LYS A 17 -11.961 5.249 3.728 1.00 0.00 C ATOM 212 NZ LYS A 17 -10.540 5.541 3.395 1.00 0.00 N ATOM 0 H LYS A 17 -13.495 0.630 5.486 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.598 0.149 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.695 1.867 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.226 1.727 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.081 2.919 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.730 2.405 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.095 4.023 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.396 4.151 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.518 5.062 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.410 6.122 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.469 6.493 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.964 5.493 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.193 4.841 2.709 1.00 0.00 H new ATOM 226 N ARG A 18 -11.274 -1.308 6.250 1.00 0.00 N ATOM 227 CA ARG A 18 -10.506 -2.294 6.999 1.00 0.00 C ATOM 228 C ARG A 18 -10.398 -3.603 6.223 1.00 0.00 C ATOM 229 O ARG A 18 -9.345 -4.241 6.205 1.00 0.00 O ATOM 230 CB ARG A 18 -11.152 -2.549 8.362 1.00 0.00 C ATOM 231 CG ARG A 18 -10.889 -1.448 9.376 1.00 0.00 C ATOM 232 CD ARG A 18 -9.406 -1.315 9.682 1.00 0.00 C ATOM 233 NE ARG A 18 -9.165 -0.943 11.074 1.00 0.00 N ATOM 234 CZ ARG A 18 -7.963 -0.655 11.560 1.00 0.00 C ATOM 235 NH1 ARG A 18 -6.898 -0.696 10.771 1.00 0.00 N ATOM 236 NH2 ARG A 18 -7.824 -0.325 12.838 1.00 0.00 N ATOM 0 H ARG A 18 -12.180 -1.081 6.659 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.502 -1.896 7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.228 -2.660 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.781 -3.494 8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.269 -0.501 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.434 -1.661 10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.906 -2.259 9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.966 -0.565 9.025 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.964 -0.902 11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.001 -0.949 9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.976 -0.474 11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.641 -0.292 13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.900 -0.104 13.210 1.00 0.00 H new ATOM 250 N ARG A 19 -11.494 -3.998 5.583 1.00 0.00 N ATOM 251 CA ARG A 19 -11.523 -5.231 4.807 1.00 0.00 C ATOM 252 C ARG A 19 -10.442 -5.222 3.730 1.00 0.00 C ATOM 253 O ARG A 19 -9.838 -6.253 3.434 1.00 0.00 O ATOM 254 CB ARG A 19 -12.898 -5.421 4.162 1.00 0.00 C ATOM 255 CG ARG A 19 -14.012 -5.671 5.165 1.00 0.00 C ATOM 256 CD ARG A 19 -13.883 -7.043 5.809 1.00 0.00 C ATOM 257 NE ARG A 19 -14.762 -7.189 6.966 1.00 0.00 N ATOM 258 CZ ARG A 19 -15.098 -8.362 7.491 1.00 0.00 C ATOM 259 NH1 ARG A 19 -14.631 -9.485 6.964 1.00 0.00 N ATOM 260 NH2 ARG A 19 -15.903 -8.413 8.544 1.00 0.00 N ATOM 0 H ARG A 19 -12.374 -3.481 5.587 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.329 -6.062 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.141 -4.535 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.851 -6.260 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.988 -4.902 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.978 -5.591 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.120 -7.812 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.850 -7.204 6.116 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.139 -6.344 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.012 -9.449 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.890 -10.385 7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.265 -7.551 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.160 -9.314 8.946 1.00 0.00 H new ATOM 274 N ARG A 20 -10.203 -4.051 3.149 1.00 0.00 N ATOM 275 CA ARG A 20 -9.195 -3.908 2.104 1.00 0.00 C ATOM 276 C ARG A 20 -7.800 -4.189 2.653 1.00 0.00 C ATOM 277 O ARG A 20 -6.937 -4.711 1.946 1.00 0.00 O ATOM 278 CB ARG A 20 -9.247 -2.501 1.506 1.00 0.00 C ATOM 279 CG ARG A 20 -10.634 -2.087 1.042 1.00 0.00 C ATOM 280 CD ARG A 20 -10.599 -0.761 0.299 1.00 0.00 C ATOM 281 NE ARG A 20 -9.929 -0.875 -0.993 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.093 -0.007 -1.986 1.00 0.00 C ATOM 283 NH1 ARG A 20 -10.901 1.033 -1.834 1.00 0.00 N ATOM 284 NH2 ARG A 20 -9.448 -0.179 -3.132 1.00 0.00 N ATOM 0 H ARG A 20 -10.693 -3.188 3.384 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.412 -4.636 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.893 -1.786 2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.560 -2.449 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.047 -2.859 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.298 -2.006 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.617 -0.403 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.086 -0.017 0.909 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.300 -1.664 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.398 1.168 -0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.025 1.698 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.825 -0.978 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.575 0.488 -3.893 1.00 0.00 H new ATOM 298 N ILE A 21 -7.585 -3.837 3.917 1.00 0.00 N ATOM 299 CA ILE A 21 -6.294 -4.051 4.560 1.00 0.00 C ATOM 300 C ILE A 21 -6.103 -5.518 4.932 1.00 0.00 C ATOM 301 O ILE A 21 -5.037 -6.090 4.708 1.00 0.00 O ATOM 302 CB ILE A 21 -6.146 -3.188 5.826 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.507 -1.732 5.523 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.729 -3.286 6.371 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.471 -0.834 6.739 1.00 0.00 C ATOM 0 H ILE A 21 -8.288 -3.403 4.515 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.530 -3.758 3.840 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.833 -3.562 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.817 -1.344 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.505 -1.697 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.640 -2.670 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.506 -4.323 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.024 -2.935 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.737 0.182 6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.182 -1.198 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.468 -0.838 7.165 1.00 0.00 H new ATOM 317 N GLU A 22 -7.143 -6.119 5.501 1.00 0.00 N ATOM 318 CA GLU A 22 -7.089 -7.519 5.903 1.00 0.00 C ATOM 319 C GLU A 22 -6.766 -8.416 4.711 1.00 0.00 C ATOM 320 O GLU A 22 -5.721 -9.065 4.673 1.00 0.00 O ATOM 321 CB GLU A 22 -8.418 -7.945 6.530 1.00 0.00 C ATOM 322 CG GLU A 22 -8.523 -7.624 8.011 1.00 0.00 C ATOM 323 CD GLU A 22 -7.657 -8.529 8.867 1.00 0.00 C ATOM 324 OE1 GLU A 22 -6.786 -9.223 8.301 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.851 -8.544 10.100 1.00 0.00 O ATOM 0 H GLU A 22 -8.032 -5.658 5.694 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.296 -7.627 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.234 -7.452 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.549 -9.018 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.232 -6.587 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.562 -7.717 8.326 1.00 0.00 H new ATOM 332 N VAL A 23 -7.672 -8.447 3.739 1.00 0.00 N ATOM 333 CA VAL A 23 -7.485 -9.263 2.545 1.00 0.00 C ATOM 334 C VAL A 23 -6.127 -8.996 1.905 1.00 0.00 C ATOM 335 O VAL A 23 -5.426 -9.924 1.503 1.00 0.00 O ATOM 336 CB VAL A 23 -8.591 -8.999 1.506 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.398 -9.886 0.285 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.964 -9.219 2.123 1.00 0.00 C ATOM 0 H VAL A 23 -8.543 -7.916 3.755 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.536 -10.305 2.862 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.524 -7.959 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.188 -9.686 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.429 -9.675 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.438 -10.933 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.734 -9.028 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.045 -10.248 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.098 -8.538 2.964 1.00 0.00 H new ATOM 348 N ALA A 24 -5.762 -7.721 1.813 1.00 0.00 N ATOM 349 CA ALA A 24 -4.487 -7.332 1.224 1.00 0.00 C ATOM 350 C ALA A 24 -3.319 -7.927 2.001 1.00 0.00 C ATOM 351 O ALA A 24 -2.415 -8.529 1.419 1.00 0.00 O ATOM 352 CB ALA A 24 -4.371 -5.816 1.172 1.00 0.00 C ATOM 0 H ALA A 24 -6.332 -6.940 2.139 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.450 -7.724 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.414 -5.539 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.181 -5.410 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.435 -5.411 2.182 1.00 0.00 H new ATOM 358 N LEU A 25 -3.341 -7.755 3.318 1.00 0.00 N ATOM 359 CA LEU A 25 -2.282 -8.275 4.176 1.00 0.00 C ATOM 360 C LEU A 25 -2.099 -9.775 3.966 1.00 0.00 C ATOM 361 O LEU A 25 -0.978 -10.255 3.794 1.00 0.00 O ATOM 362 CB LEU A 25 -2.602 -7.989 5.644 1.00 0.00 C ATOM 363 CG LEU A 25 -2.067 -6.670 6.203 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.508 -6.484 7.647 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.550 -6.622 6.097 1.00 0.00 C ATOM 0 H LEU A 25 -4.081 -7.259 3.815 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.352 -7.773 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.685 -8.000 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.204 -8.805 6.248 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.479 -5.853 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.118 -5.540 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.597 -6.473 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.126 -7.305 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.187 -5.676 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.119 -7.447 6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.255 -6.708 5.051 1.00 0.00 H new ATOM 377 N ILE A 26 -3.207 -10.509 3.980 1.00 0.00 N ATOM 378 CA ILE A 26 -3.168 -11.953 3.788 1.00 0.00 C ATOM 379 C ILE A 26 -2.546 -12.312 2.443 1.00 0.00 C ATOM 380 O ILE A 26 -1.523 -12.993 2.384 1.00 0.00 O ATOM 381 CB ILE A 26 -4.577 -12.570 3.870 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.217 -12.254 5.224 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.511 -14.073 3.647 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.715 -12.461 5.246 1.00 0.00 C ATOM 0 H ILE A 26 -4.142 -10.127 4.122 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.554 -12.362 4.590 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.195 -12.133 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.760 -12.882 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.997 -11.220 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.514 -14.494 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.091 -14.277 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.880 -14.527 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.101 -12.218 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.183 -11.813 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.942 -13.501 5.013 1.00 0.00 H new ATOM 396 N GLU A 27 -3.171 -11.848 1.365 1.00 0.00 N ATOM 397 CA GLU A 27 -2.677 -12.120 0.020 1.00 0.00 C ATOM 398 C GLU A 27 -1.207 -11.733 -0.108 1.00 0.00 C ATOM 399 O GLU A 27 -0.407 -12.473 -0.682 1.00 0.00 O ATOM 400 CB GLU A 27 -3.508 -11.361 -1.016 1.00 0.00 C ATOM 401 CG GLU A 27 -4.938 -11.861 -1.134 1.00 0.00 C ATOM 402 CD GLU A 27 -5.057 -13.079 -2.030 1.00 0.00 C ATOM 403 OE1 GLU A 27 -4.667 -12.985 -3.213 1.00 0.00 O ATOM 404 OE2 GLU A 27 -5.541 -14.125 -1.549 1.00 0.00 O ATOM 0 H GLU A 27 -4.019 -11.283 1.397 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.770 -13.190 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.522 -10.303 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.022 -11.442 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.317 -12.106 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.567 -11.062 -1.527 1.00 0.00 H new ATOM 411 N TYR A 28 -0.859 -10.569 0.429 1.00 0.00 N ATOM 412 CA TYR A 28 0.514 -10.081 0.372 1.00 0.00 C ATOM 413 C TYR A 28 1.465 -11.048 1.072 1.00 0.00 C ATOM 414 O TYR A 28 2.457 -11.488 0.492 1.00 0.00 O ATOM 415 CB TYR A 28 0.612 -8.696 1.015 1.00 0.00 C ATOM 416 CG TYR A 28 1.892 -7.964 0.682 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.314 -7.825 -0.635 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.680 -7.410 1.684 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.483 -7.157 -0.943 1.00 0.00 C ATOM 420 CE2 TYR A 28 3.850 -6.739 1.384 1.00 0.00 C ATOM 421 CZ TYR A 28 4.248 -6.616 0.069 1.00 0.00 C ATOM 422 OH TYR A 28 5.412 -5.949 -0.234 1.00 0.00 O ATOM 0 H TYR A 28 -1.509 -9.946 0.909 1.00 0.00 H new ATOM 0 HA TYR A 28 0.804 -10.009 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.236 -8.093 0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.534 -8.801 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.718 -8.246 -1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.372 -7.506 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.797 -7.059 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.450 -6.313 2.175 1.00 0.00 H new ATOM 0 HH TYR A 28 5.703 -5.429 0.544 1.00 0.00 H new ATOM 432 N ARG A 29 1.153 -11.373 2.322 1.00 0.00 N ATOM 433 CA ARG A 29 1.979 -12.286 3.103 1.00 0.00 C ATOM 434 C ARG A 29 2.243 -13.575 2.330 1.00 0.00 C ATOM 435 O ARG A 29 3.389 -14.002 2.190 1.00 0.00 O ATOM 436 CB ARG A 29 1.301 -12.608 4.436 1.00 0.00 C ATOM 437 CG ARG A 29 2.278 -12.948 5.549 1.00 0.00 C ATOM 438 CD ARG A 29 1.583 -13.649 6.706 1.00 0.00 C ATOM 439 NE ARG A 29 2.525 -14.060 7.743 1.00 0.00 N ATOM 440 CZ ARG A 29 2.161 -14.383 8.980 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.883 -14.344 9.330 1.00 0.00 N ATOM 442 NH2 ARG A 29 3.078 -14.747 9.868 1.00 0.00 N ATOM 0 H ARG A 29 0.334 -11.018 2.816 1.00 0.00 H new ATOM 0 HA ARG A 29 2.933 -11.797 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.697 -11.754 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.619 -13.446 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.069 -13.587 5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.754 -12.036 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.837 -12.982 7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.051 -14.524 6.333 1.00 0.00 H new ATOM 0 HE ARG A 29 3.516 -14.102 7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.176 -14.066 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.607 -14.592 10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.062 -14.779 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.799 -14.995 10.817 1.00 0.00 H new ATOM 456 N GLU A 30 1.175 -14.190 1.832 1.00 0.00 N ATOM 457 CA GLU A 30 1.292 -15.431 1.075 1.00 0.00 C ATOM 458 C GLU A 30 2.207 -15.247 -0.132 1.00 0.00 C ATOM 459 O GLU A 30 3.073 -16.079 -0.402 1.00 0.00 O ATOM 460 CB GLU A 30 -0.088 -15.907 0.617 1.00 0.00 C ATOM 461 CG GLU A 30 -0.817 -16.746 1.652 1.00 0.00 C ATOM 462 CD GLU A 30 -0.533 -18.229 1.507 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.543 -18.726 0.362 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.299 -18.891 2.540 1.00 0.00 O ATOM 0 H GLU A 30 0.220 -13.849 1.939 1.00 0.00 H new ATOM 0 HA GLU A 30 1.729 -16.186 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.699 -15.039 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.023 -16.489 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.524 -16.420 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.890 -16.575 1.563 1.00 0.00 H new ATOM 471 N THR A 31 2.006 -14.151 -0.858 1.00 0.00 N ATOM 472 CA THR A 31 2.810 -13.858 -2.037 1.00 0.00 C ATOM 473 C THR A 31 4.291 -13.770 -1.686 1.00 0.00 C ATOM 474 O THR A 31 5.145 -14.258 -2.427 1.00 0.00 O ATOM 475 CB THR A 31 2.373 -12.539 -2.702 1.00 0.00 C ATOM 476 OG1 THR A 31 0.957 -12.544 -2.915 1.00 0.00 O ATOM 477 CG2 THR A 31 3.089 -12.337 -4.028 1.00 0.00 C ATOM 0 H THR A 31 1.293 -13.452 -0.649 1.00 0.00 H new ATOM 0 HA THR A 31 2.654 -14.679 -2.737 1.00 0.00 H new ATOM 0 HB THR A 31 2.638 -11.718 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.502 -12.250 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.764 -11.399 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.165 -12.304 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.852 -13.163 -4.699 1.00 0.00 H new ATOM 485 N LEU A 32 4.589 -13.146 -0.552 1.00 0.00 N ATOM 486 CA LEU A 32 5.968 -12.995 -0.101 1.00 0.00 C ATOM 487 C LEU A 32 6.575 -14.348 0.258 1.00 0.00 C ATOM 488 O LEU A 32 7.722 -14.633 -0.082 1.00 0.00 O ATOM 489 CB LEU A 32 6.031 -12.058 1.107 1.00 0.00 C ATOM 490 CG LEU A 32 5.614 -10.609 0.854 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.845 -9.763 2.096 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.372 -10.035 -0.334 1.00 0.00 C ATOM 0 H LEU A 32 3.894 -12.736 0.072 1.00 0.00 H new ATOM 0 HA LEU A 32 6.546 -12.563 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.395 -12.466 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.051 -12.060 1.490 1.00 0.00 H new ATOM 0 HG LEU A 32 4.549 -10.593 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.543 -8.735 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.256 -10.161 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.902 -9.786 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.062 -9.003 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.443 -10.064 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.155 -10.626 -1.224 1.00 0.00 H new ATOM 504 N GLU A 33 5.795 -15.177 0.946 1.00 0.00 N ATOM 505 CA GLU A 33 6.256 -16.500 1.349 1.00 0.00 C ATOM 506 C GLU A 33 6.580 -17.358 0.130 1.00 0.00 C ATOM 507 O GLU A 33 7.576 -18.081 0.115 1.00 0.00 O ATOM 508 CB GLU A 33 5.197 -17.194 2.208 1.00 0.00 C ATOM 509 CG GLU A 33 5.319 -16.887 3.691 1.00 0.00 C ATOM 510 CD GLU A 33 4.416 -17.757 4.543 1.00 0.00 C ATOM 511 OE1 GLU A 33 3.208 -17.451 4.630 1.00 0.00 O ATOM 512 OE2 GLU A 33 4.916 -18.744 5.123 1.00 0.00 O ATOM 0 H GLU A 33 4.842 -14.956 1.235 1.00 0.00 H new ATOM 0 HA GLU A 33 7.166 -16.376 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.208 -16.893 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.271 -18.272 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.354 -17.028 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.075 -15.839 3.863 1.00 0.00 H new ATOM 519 N GLU A 34 5.732 -17.272 -0.890 1.00 0.00 N ATOM 520 CA GLU A 34 5.927 -18.042 -2.113 1.00 0.00 C ATOM 521 C GLU A 34 6.970 -17.382 -3.010 1.00 0.00 C ATOM 522 O GLU A 34 7.595 -18.042 -3.840 1.00 0.00 O ATOM 523 CB GLU A 34 4.605 -18.185 -2.869 1.00 0.00 C ATOM 524 CG GLU A 34 3.690 -19.256 -2.299 1.00 0.00 C ATOM 525 CD GLU A 34 3.904 -20.610 -2.946 1.00 0.00 C ATOM 526 OE1 GLU A 34 3.571 -20.756 -4.141 1.00 0.00 O ATOM 527 OE2 GLU A 34 4.405 -21.524 -2.258 1.00 0.00 O ATOM 0 H GLU A 34 4.904 -16.677 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 34 6.286 -19.033 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.083 -17.228 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.816 -18.418 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.859 -19.340 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.652 -18.952 -2.435 1.00 0.00 H new ATOM 534 N GLN A 35 7.152 -16.077 -2.836 1.00 0.00 N ATOM 535 CA GLN A 35 8.118 -15.328 -3.631 1.00 0.00 C ATOM 536 C GLN A 35 9.528 -15.870 -3.426 1.00 0.00 C ATOM 537 O GLN A 35 10.421 -15.627 -4.236 1.00 0.00 O ATOM 538 CB GLN A 35 8.070 -13.844 -3.263 1.00 0.00 C ATOM 539 CG GLN A 35 7.326 -12.990 -4.277 1.00 0.00 C ATOM 540 CD GLN A 35 7.215 -11.540 -3.849 1.00 0.00 C ATOM 541 OE1 GLN A 35 7.819 -11.125 -2.860 1.00 0.00 O ATOM 542 NE2 GLN A 35 6.441 -10.760 -4.594 1.00 0.00 N ATOM 0 H GLN A 35 6.644 -15.517 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 35 7.854 -15.443 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.593 -13.735 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.089 -13.470 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.839 -13.043 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.326 -13.398 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.959 -11.146 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.329 -9.775 -4.355 1.00 0.00 H new ATOM 551 N GLY A 36 9.722 -16.605 -2.335 1.00 0.00 N ATOM 552 CA GLY A 36 11.027 -17.170 -2.042 1.00 0.00 C ATOM 553 C GLY A 36 11.617 -16.629 -0.755 1.00 0.00 C ATOM 554 O GLY A 36 12.818 -16.753 -0.515 1.00 0.00 O ATOM 0 H GLY A 36 8.999 -16.819 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.943 -18.254 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.706 -16.956 -2.867 1.00 0.00 H new ATOM 558 N MET A 37 10.771 -16.026 0.074 1.00 0.00 N ATOM 559 CA MET A 37 11.217 -15.464 1.344 1.00 0.00 C ATOM 560 C MET A 37 10.957 -16.436 2.490 1.00 0.00 C ATOM 561 O MET A 37 9.808 -16.753 2.801 1.00 0.00 O ATOM 562 CB MET A 37 10.508 -14.136 1.615 1.00 0.00 C ATOM 563 CG MET A 37 10.896 -13.031 0.646 1.00 0.00 C ATOM 564 SD MET A 37 9.685 -11.696 0.594 1.00 0.00 S ATOM 565 CE MET A 37 9.549 -11.293 2.333 1.00 0.00 C ATOM 0 H MET A 37 9.774 -15.914 -0.110 1.00 0.00 H new ATOM 0 HA MET A 37 12.291 -15.288 1.278 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.430 -14.292 1.563 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.735 -13.813 2.631 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.866 -12.625 0.933 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.010 -13.452 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.566 -11.589 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.320 -11.825 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.679 -10.219 2.469 1.00 0.00 H new ATOM 575 N LYS A 38 12.030 -16.907 3.116 1.00 0.00 N ATOM 576 CA LYS A 38 11.919 -17.842 4.229 1.00 0.00 C ATOM 577 C LYS A 38 12.453 -17.222 5.516 1.00 0.00 C ATOM 578 O LYS A 38 12.831 -17.932 6.448 1.00 0.00 O ATOM 579 CB LYS A 38 12.682 -19.132 3.917 1.00 0.00 C ATOM 580 CG LYS A 38 14.142 -18.904 3.566 1.00 0.00 C ATOM 581 CD LYS A 38 14.923 -20.208 3.559 1.00 0.00 C ATOM 582 CE LYS A 38 16.265 -20.050 2.861 1.00 0.00 C ATOM 583 NZ LYS A 38 16.825 -21.362 2.433 1.00 0.00 N ATOM 0 H LYS A 38 12.988 -16.656 2.871 1.00 0.00 H new ATOM 0 HA LYS A 38 10.864 -18.076 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.624 -19.797 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.193 -19.642 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.212 -18.431 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.587 -18.216 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.082 -20.544 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.340 -20.980 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.148 -19.404 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.968 -19.557 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.740 -21.212 1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.960 -21.970 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.166 -21.822 1.772 1.00 0.00 H new ATOM 597 N ASN A 39 12.479 -15.894 5.561 1.00 0.00 N ATOM 598 CA ASN A 39 12.966 -15.179 6.736 1.00 0.00 C ATOM 599 C ASN A 39 11.872 -14.296 7.327 1.00 0.00 C ATOM 600 O ASN A 39 11.041 -13.732 6.615 1.00 0.00 O ATOM 601 CB ASN A 39 14.183 -14.326 6.371 1.00 0.00 C ATOM 602 CG ASN A 39 15.368 -14.591 7.279 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.614 -15.729 7.682 1.00 0.00 O ATOM 604 ND2 ASN A 39 16.109 -13.539 7.607 1.00 0.00 N ATOM 0 H ASN A 39 12.169 -15.291 4.799 1.00 0.00 H new ATOM 0 HA ASN A 39 13.258 -15.916 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.468 -14.527 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.914 -13.271 6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.919 -13.656 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.868 -12.614 7.250 1.00 0.00 H new ATOM 611 N PRO A 40 11.869 -14.172 8.663 1.00 0.00 N ATOM 612 CA PRO A 40 10.883 -13.358 9.381 1.00 0.00 C ATOM 613 C PRO A 40 11.081 -11.865 9.144 1.00 0.00 C ATOM 614 O PRO A 40 10.122 -11.134 8.901 1.00 0.00 O ATOM 615 CB PRO A 40 11.139 -13.705 10.849 1.00 0.00 C ATOM 616 CG PRO A 40 12.562 -14.143 10.893 1.00 0.00 C ATOM 617 CD PRO A 40 12.829 -14.815 9.575 1.00 0.00 C ATOM 0 HA PRO A 40 9.865 -13.565 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.970 -12.843 11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.471 -14.495 11.191 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.228 -13.292 11.039 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.734 -14.829 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.858 -14.663 9.248 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.669 -15.892 9.633 1.00 0.00 H new ATOM 625 N GLU A 41 12.332 -11.420 9.216 1.00 0.00 N ATOM 626 CA GLU A 41 12.654 -10.012 9.009 1.00 0.00 C ATOM 627 C GLU A 41 12.131 -9.527 7.661 1.00 0.00 C ATOM 628 O GLU A 41 11.416 -8.529 7.584 1.00 0.00 O ATOM 629 CB GLU A 41 14.167 -9.795 9.090 1.00 0.00 C ATOM 630 CG GLU A 41 14.783 -10.283 10.391 1.00 0.00 C ATOM 631 CD GLU A 41 14.161 -9.632 11.611 1.00 0.00 C ATOM 632 OE1 GLU A 41 14.403 -8.427 11.830 1.00 0.00 O ATOM 633 OE2 GLU A 41 13.432 -10.329 12.348 1.00 0.00 O ATOM 0 H GLU A 41 13.138 -12.013 9.416 1.00 0.00 H new ATOM 0 HA GLU A 41 12.169 -9.435 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.645 -10.310 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.380 -8.732 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.665 -11.364 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.854 -10.079 10.381 1.00 0.00 H new ATOM 640 N GLU A 42 12.495 -10.240 6.600 1.00 0.00 N ATOM 641 CA GLU A 42 12.064 -9.881 5.254 1.00 0.00 C ATOM 642 C GLU A 42 10.549 -9.702 5.198 1.00 0.00 C ATOM 643 O GLU A 42 10.053 -8.597 4.974 1.00 0.00 O ATOM 644 CB GLU A 42 12.499 -10.953 4.252 1.00 0.00 C ATOM 645 CG GLU A 42 12.657 -10.431 2.833 1.00 0.00 C ATOM 646 CD GLU A 42 13.912 -9.599 2.654 1.00 0.00 C ATOM 647 OE1 GLU A 42 14.703 -9.503 3.615 1.00 0.00 O ATOM 648 OE2 GLU A 42 14.102 -9.044 1.551 1.00 0.00 O ATOM 0 H GLU A 42 13.087 -11.069 6.646 1.00 0.00 H new ATOM 0 HA GLU A 42 12.535 -8.934 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.446 -11.382 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.766 -11.759 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.682 -11.273 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.786 -9.829 2.572 1.00 0.00 H new ATOM 655 N ILE A 43 9.822 -10.795 5.401 1.00 0.00 N ATOM 656 CA ILE A 43 8.365 -10.758 5.374 1.00 0.00 C ATOM 657 C ILE A 43 7.826 -9.663 6.288 1.00 0.00 C ATOM 658 O ILE A 43 7.016 -8.836 5.870 1.00 0.00 O ATOM 659 CB ILE A 43 7.760 -12.109 5.799 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.320 -13.239 4.931 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.243 -12.063 5.704 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.727 -14.594 5.248 1.00 0.00 C ATOM 0 H ILE A 43 10.218 -11.717 5.586 1.00 0.00 H new ATOM 0 HA ILE A 43 8.074 -10.546 4.345 1.00 0.00 H new ATOM 0 HB ILE A 43 8.034 -12.303 6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.135 -13.007 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.401 -13.285 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.830 -13.025 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.861 -11.281 6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.949 -11.850 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.169 -15.347 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.935 -14.848 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.649 -14.565 5.090 1.00 0.00 H new ATOM 674 N GLU A 44 8.282 -9.663 7.536 1.00 0.00 N ATOM 675 CA GLU A 44 7.846 -8.668 8.509 1.00 0.00 C ATOM 676 C GLU A 44 8.001 -7.257 7.950 1.00 0.00 C ATOM 677 O GLU A 44 7.088 -6.436 8.045 1.00 0.00 O ATOM 678 CB GLU A 44 8.645 -8.805 9.806 1.00 0.00 C ATOM 679 CG GLU A 44 8.173 -9.944 10.694 1.00 0.00 C ATOM 680 CD GLU A 44 9.060 -10.144 11.908 1.00 0.00 C ATOM 681 OE1 GLU A 44 10.227 -9.703 11.868 1.00 0.00 O ATOM 682 OE2 GLU A 44 8.586 -10.740 12.898 1.00 0.00 O ATOM 0 H GLU A 44 8.953 -10.341 7.898 1.00 0.00 H new ATOM 0 HA GLU A 44 6.791 -8.843 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.696 -8.958 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.580 -7.870 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.153 -9.745 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.146 -10.866 10.113 1.00 0.00 H new ATOM 689 N ARG A 45 9.163 -6.982 7.368 1.00 0.00 N ATOM 690 CA ARG A 45 9.440 -5.670 6.795 1.00 0.00 C ATOM 691 C ARG A 45 8.425 -5.326 5.709 1.00 0.00 C ATOM 692 O ARG A 45 7.693 -4.341 5.816 1.00 0.00 O ATOM 693 CB ARG A 45 10.856 -5.630 6.217 1.00 0.00 C ATOM 694 CG ARG A 45 11.230 -4.285 5.614 1.00 0.00 C ATOM 695 CD ARG A 45 12.738 -4.117 5.522 1.00 0.00 C ATOM 696 NE ARG A 45 13.117 -3.108 4.537 1.00 0.00 N ATOM 697 CZ ARG A 45 14.367 -2.902 4.139 1.00 0.00 C ATOM 698 NH1 ARG A 45 15.354 -3.631 4.640 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.632 -1.964 3.238 1.00 0.00 N ATOM 0 H ARG A 45 9.929 -7.650 7.281 1.00 0.00 H new ATOM 0 HA ARG A 45 9.360 -4.930 7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.568 -5.876 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.949 -6.400 5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.791 -4.196 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.810 -3.483 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.132 -3.836 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.194 -5.071 5.257 1.00 0.00 H new ATOM 0 HE ARG A 45 12.381 -2.529 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.154 -4.352 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.313 -3.471 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.875 -1.401 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.593 -1.807 2.933 1.00 0.00 H new ATOM 713 N LYS A 46 8.387 -6.144 4.662 1.00 0.00 N ATOM 714 CA LYS A 46 7.462 -5.928 3.555 1.00 0.00 C ATOM 715 C LYS A 46 6.032 -5.780 4.063 1.00 0.00 C ATOM 716 O LYS A 46 5.385 -4.757 3.837 1.00 0.00 O ATOM 717 CB LYS A 46 7.545 -7.089 2.562 1.00 0.00 C ATOM 718 CG LYS A 46 8.820 -7.094 1.736 1.00 0.00 C ATOM 719 CD LYS A 46 8.743 -8.096 0.597 1.00 0.00 C ATOM 720 CE LYS A 46 10.092 -8.274 -0.081 1.00 0.00 C ATOM 721 NZ LYS A 46 10.510 -7.047 -0.815 1.00 0.00 N ATOM 0 H LYS A 46 8.986 -6.963 4.557 1.00 0.00 H new ATOM 0 HA LYS A 46 7.746 -5.005 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.473 -8.029 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.687 -7.044 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.997 -6.097 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.669 -7.335 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.397 -9.057 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.008 -7.761 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.844 -8.524 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.042 -9.113 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.434 -7.209 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.805 -6.823 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.583 -6.252 -0.149 1.00 0.00 H new ATOM 735 N VAL A 47 5.543 -6.807 4.751 1.00 0.00 N ATOM 736 CA VAL A 47 4.190 -6.790 5.293 1.00 0.00 C ATOM 737 C VAL A 47 3.939 -5.524 6.105 1.00 0.00 C ATOM 738 O VAL A 47 2.917 -4.860 5.936 1.00 0.00 O ATOM 739 CB VAL A 47 3.926 -8.019 6.183 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.524 -7.961 6.771 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.129 -9.302 5.393 1.00 0.00 C ATOM 0 H VAL A 47 6.064 -7.662 4.946 1.00 0.00 H new ATOM 0 HA VAL A 47 3.508 -6.814 4.443 1.00 0.00 H new ATOM 0 HB VAL A 47 4.640 -8.010 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.355 -8.837 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.419 -7.059 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.791 -7.945 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.938 -10.160 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.440 -9.322 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.154 -9.345 5.026 1.00 0.00 H new ATOM 751 N GLU A 48 4.879 -5.196 6.985 1.00 0.00 N ATOM 752 CA GLU A 48 4.759 -4.009 7.824 1.00 0.00 C ATOM 753 C GLU A 48 4.487 -2.770 6.976 1.00 0.00 C ATOM 754 O GLU A 48 3.552 -2.015 7.245 1.00 0.00 O ATOM 755 CB GLU A 48 6.034 -3.808 8.647 1.00 0.00 C ATOM 756 CG GLU A 48 6.038 -2.523 9.458 1.00 0.00 C ATOM 757 CD GLU A 48 7.305 -2.352 10.273 1.00 0.00 C ATOM 758 OE1 GLU A 48 7.400 -2.962 11.358 1.00 0.00 O ATOM 759 OE2 GLU A 48 8.202 -1.608 9.824 1.00 0.00 O ATOM 0 H GLU A 48 5.732 -5.735 7.136 1.00 0.00 H new ATOM 0 HA GLU A 48 3.918 -4.157 8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.158 -4.655 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.893 -3.807 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.926 -1.673 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.177 -2.517 10.126 1.00 0.00 H new ATOM 766 N ILE A 49 5.311 -2.567 5.954 1.00 0.00 N ATOM 767 CA ILE A 49 5.159 -1.420 5.067 1.00 0.00 C ATOM 768 C ILE A 49 3.779 -1.405 4.419 1.00 0.00 C ATOM 769 O ILE A 49 3.092 -0.385 4.422 1.00 0.00 O ATOM 770 CB ILE A 49 6.232 -1.417 3.962 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.632 -1.386 4.581 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.032 -0.229 3.033 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.718 -1.859 3.640 1.00 0.00 C ATOM 0 H ILE A 49 6.091 -3.182 5.719 1.00 0.00 H new ATOM 0 HA ILE A 49 5.279 -0.528 5.682 1.00 0.00 H new ATOM 0 HB ILE A 49 6.133 -2.332 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.857 -0.368 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.639 -2.010 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.798 -0.241 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.047 -0.290 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.108 0.696 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.683 -1.810 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.517 -2.887 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.738 -1.220 2.757 1.00 0.00 H new ATOM 785 N ASN A 50 3.379 -2.545 3.865 1.00 0.00 N ATOM 786 CA ASN A 50 2.079 -2.664 3.214 1.00 0.00 C ATOM 787 C ASN A 50 0.953 -2.291 4.175 1.00 0.00 C ATOM 788 O ASN A 50 -0.036 -1.675 3.778 1.00 0.00 O ATOM 789 CB ASN A 50 1.872 -4.089 2.698 1.00 0.00 C ATOM 790 CG ASN A 50 1.108 -4.124 1.388 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.104 -3.153 0.632 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.455 -5.248 1.115 1.00 0.00 N ATOM 0 H ASN A 50 3.936 -3.399 3.854 1.00 0.00 H new ATOM 0 HA ASN A 50 2.058 -1.973 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.842 -4.568 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.332 -4.669 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.078 -5.331 0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.486 -6.028 1.771 1.00 0.00 H new ATOM 799 N ARG A 51 1.113 -2.668 5.439 1.00 0.00 N ATOM 800 CA ARG A 51 0.110 -2.374 6.456 1.00 0.00 C ATOM 801 C ARG A 51 0.044 -0.876 6.737 1.00 0.00 C ATOM 802 O ARG A 51 -0.964 -0.225 6.463 1.00 0.00 O ATOM 803 CB ARG A 51 0.424 -3.133 7.747 1.00 0.00 C ATOM 804 CG ARG A 51 -0.686 -3.060 8.782 1.00 0.00 C ATOM 805 CD ARG A 51 -0.548 -4.158 9.825 1.00 0.00 C ATOM 806 NE ARG A 51 -1.155 -3.781 11.099 1.00 0.00 N ATOM 807 CZ ARG A 51 -0.645 -2.863 11.913 1.00 0.00 C ATOM 808 NH1 ARG A 51 0.475 -2.232 11.588 1.00 0.00 N ATOM 809 NH2 ARG A 51 -1.255 -2.576 13.056 1.00 0.00 N ATOM 0 H ARG A 51 1.927 -3.177 5.784 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.860 -2.698 6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.616 -4.179 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.340 -2.732 8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.665 -2.087 9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.653 -3.147 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.017 -5.070 9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.508 -4.382 9.978 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.018 -4.248 11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.948 -2.451 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.864 -1.528 12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.116 -3.060 13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.863 -1.871 13.680 1.00 0.00 H new ATOM 823 N LYS A 52 1.126 -0.334 7.287 1.00 0.00 N ATOM 824 CA LYS A 52 1.193 1.087 7.605 1.00 0.00 C ATOM 825 C LYS A 52 0.815 1.934 6.395 1.00 0.00 C ATOM 826 O LYS A 52 0.076 2.911 6.516 1.00 0.00 O ATOM 827 CB LYS A 52 2.599 1.458 8.081 1.00 0.00 C ATOM 828 CG LYS A 52 2.898 1.011 9.502 1.00 0.00 C ATOM 829 CD LYS A 52 4.163 1.662 10.036 1.00 0.00 C ATOM 830 CE LYS A 52 3.882 3.045 10.602 1.00 0.00 C ATOM 831 NZ LYS A 52 5.070 3.611 11.300 1.00 0.00 N ATOM 0 H LYS A 52 1.969 -0.858 7.522 1.00 0.00 H new ATOM 0 HA LYS A 52 0.480 1.289 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.331 1.012 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.722 2.539 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.057 1.263 10.148 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.007 -0.073 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.598 1.032 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.900 1.738 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.582 3.714 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.045 2.989 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.838 4.554 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.341 2.986 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.862 3.688 10.630 1.00 0.00 H new ATOM 845 N ARG A 53 1.324 1.552 5.228 1.00 0.00 N ATOM 846 CA ARG A 53 1.039 2.277 3.996 1.00 0.00 C ATOM 847 C ARG A 53 -0.455 2.256 3.686 1.00 0.00 C ATOM 848 O ARG A 53 -1.065 3.299 3.447 1.00 0.00 O ATOM 849 CB ARG A 53 1.821 1.670 2.829 1.00 0.00 C ATOM 850 CG ARG A 53 1.381 2.183 1.468 1.00 0.00 C ATOM 851 CD ARG A 53 2.567 2.647 0.637 1.00 0.00 C ATOM 852 NE ARG A 53 2.154 3.165 -0.665 1.00 0.00 N ATOM 853 CZ ARG A 53 1.774 2.391 -1.676 1.00 0.00 C ATOM 854 NH1 ARG A 53 1.754 1.073 -1.535 1.00 0.00 N ATOM 855 NH2 ARG A 53 1.413 2.937 -2.830 1.00 0.00 N ATOM 0 H ARG A 53 1.936 0.744 5.110 1.00 0.00 H new ATOM 0 HA ARG A 53 1.350 3.313 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.881 1.884 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.709 0.586 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.849 1.395 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.681 3.009 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.109 3.421 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.257 1.815 0.494 1.00 0.00 H new ATOM 0 HE ARG A 53 2.158 4.175 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.031 0.651 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.462 0.481 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.427 3.951 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.121 2.343 -3.606 1.00 0.00 H new ATOM 869 N LEU A 54 -1.038 1.063 3.692 1.00 0.00 N ATOM 870 CA LEU A 54 -2.461 0.905 3.411 1.00 0.00 C ATOM 871 C LEU A 54 -3.302 1.730 4.381 1.00 0.00 C ATOM 872 O LEU A 54 -4.143 2.526 3.965 1.00 0.00 O ATOM 873 CB LEU A 54 -2.859 -0.569 3.500 1.00 0.00 C ATOM 874 CG LEU A 54 -2.619 -1.406 2.243 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.862 -2.880 2.528 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.510 -0.927 1.106 1.00 0.00 C ATOM 0 H LEU A 54 -0.548 0.190 3.888 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.648 1.264 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.311 -1.024 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.918 -0.624 3.752 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.579 -1.283 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.686 -3.460 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.182 -3.216 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.892 -3.022 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.326 -1.534 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.556 -1.020 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.287 0.117 0.884 1.00 0.00 H new ATOM 888 N GLU A 55 -3.067 1.533 5.674 1.00 0.00 N ATOM 889 CA GLU A 55 -3.803 2.260 6.702 1.00 0.00 C ATOM 890 C GLU A 55 -3.753 3.764 6.446 1.00 0.00 C ATOM 891 O GLU A 55 -4.786 4.433 6.406 1.00 0.00 O ATOM 892 CB GLU A 55 -3.231 1.948 8.087 1.00 0.00 C ATOM 893 CG GLU A 55 -3.944 0.810 8.797 1.00 0.00 C ATOM 894 CD GLU A 55 -3.481 0.637 10.231 1.00 0.00 C ATOM 895 OE1 GLU A 55 -2.981 1.621 10.816 1.00 0.00 O ATOM 896 OE2 GLU A 55 -3.618 -0.482 10.768 1.00 0.00 O ATOM 0 H GLU A 55 -2.374 0.877 6.035 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.843 1.937 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.175 1.698 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.289 2.844 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.018 0.996 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.775 -0.118 8.250 1.00 0.00 H new ATOM 903 N VAL A 56 -2.544 4.289 6.274 1.00 0.00 N ATOM 904 CA VAL A 56 -2.358 5.713 6.022 1.00 0.00 C ATOM 905 C VAL A 56 -3.033 6.134 4.722 1.00 0.00 C ATOM 906 O VAL A 56 -3.489 7.269 4.586 1.00 0.00 O ATOM 907 CB VAL A 56 -0.864 6.081 5.954 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.691 7.559 5.640 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.166 5.718 7.256 1.00 0.00 C ATOM 0 H VAL A 56 -1.679 3.750 6.305 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.818 6.244 6.855 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.403 5.508 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.371 7.800 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.154 7.783 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.166 8.155 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.889 5.985 7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.627 6.262 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.259 4.646 7.432 1.00 0.00 H new ATOM 919 N ASP A 57 -3.095 5.210 3.768 1.00 0.00 N ATOM 920 CA ASP A 57 -3.717 5.484 2.478 1.00 0.00 C ATOM 921 C ASP A 57 -5.227 5.640 2.625 1.00 0.00 C ATOM 922 O ASP A 57 -5.843 6.474 1.961 1.00 0.00 O ATOM 923 CB ASP A 57 -3.401 4.363 1.487 1.00 0.00 C ATOM 924 CG ASP A 57 -3.398 4.844 0.050 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.473 5.245 -0.444 1.00 0.00 O ATOM 926 OD2 ASP A 57 -2.321 4.821 -0.582 1.00 0.00 O ATOM 0 H ASP A 57 -2.722 4.266 3.864 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.309 6.420 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.427 3.935 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.136 3.566 1.599 1.00 0.00 H new ATOM 931 N TYR A 58 -5.818 4.831 3.497 1.00 0.00 N ATOM 932 CA TYR A 58 -7.257 4.876 3.728 1.00 0.00 C ATOM 933 C TYR A 58 -7.591 5.781 4.909 1.00 0.00 C ATOM 934 O TYR A 58 -8.668 5.685 5.496 1.00 0.00 O ATOM 935 CB TYR A 58 -7.798 3.468 3.981 1.00 0.00 C ATOM 936 CG TYR A 58 -7.642 2.537 2.800 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.382 2.724 1.640 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.752 1.471 2.844 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.243 1.876 0.559 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.604 0.618 1.767 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.352 0.824 0.627 1.00 0.00 C ATOM 942 OH TYR A 58 -7.209 -0.022 -0.448 1.00 0.00 O ATOM 0 H TYR A 58 -5.323 4.136 4.056 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.730 5.285 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.283 3.039 4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.854 3.535 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.079 3.547 1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.165 1.306 3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.828 2.035 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.907 -0.205 1.818 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.542 -0.708 -0.238 1.00 0.00 H new ATOM 952 N GLY A 59 -6.657 6.663 5.253 1.00 0.00 N ATOM 953 CA GLY A 59 -6.870 7.575 6.362 1.00 0.00 C ATOM 954 C GLY A 59 -7.289 6.857 7.630 1.00 0.00 C ATOM 955 O GLY A 59 -7.980 7.427 8.476 1.00 0.00 O ATOM 0 H GLY A 59 -5.757 6.762 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.953 8.134 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.636 8.301 6.089 1.00 0.00 H new ATOM 959 N LEU A 60 -6.872 5.603 7.763 1.00 0.00 N ATOM 960 CA LEU A 60 -7.209 4.805 8.937 1.00 0.00 C ATOM 961 C LEU A 60 -6.079 4.837 9.960 1.00 0.00 C ATOM 962 O LEU A 60 -5.992 3.972 10.832 1.00 0.00 O ATOM 963 CB LEU A 60 -7.503 3.360 8.529 1.00 0.00 C ATOM 964 CG LEU A 60 -8.663 3.161 7.553 1.00 0.00 C ATOM 965 CD1 LEU A 60 -8.817 1.690 7.200 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.955 3.708 8.142 1.00 0.00 C ATOM 0 H LEU A 60 -6.300 5.117 7.073 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.100 5.235 9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.602 2.939 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.710 2.784 9.431 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.442 3.712 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.647 1.568 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.899 1.329 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.015 1.117 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.770 3.558 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.181 3.185 9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.841 4.773 8.343 1.00 0.00 H new ATOM 978 N SER A 61 -5.215 5.841 9.850 1.00 0.00 N ATOM 979 CA SER A 61 -4.088 5.985 10.764 1.00 0.00 C ATOM 980 C SER A 61 -3.541 7.409 10.732 1.00 0.00 C ATOM 981 O SER A 61 -3.900 8.203 9.864 1.00 0.00 O ATOM 982 CB SER A 61 -2.981 4.992 10.404 1.00 0.00 C ATOM 983 OG SER A 61 -1.713 5.471 10.817 1.00 0.00 O ATOM 0 H SER A 61 -5.274 6.567 9.136 1.00 0.00 H new ATOM 0 HA SER A 61 -4.441 5.773 11.773 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.182 4.031 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.976 4.822 9.327 1.00 0.00 H new ATOM 0 HG SER A 61 -1.023 4.818 10.577 1.00 0.00 H new TER 989 SER A 61