USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 502 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 12 ASN : amide:sc= 0.049 K(o=0.71,f=-3.6!) USER MOD Set 1.2: A 44 SER OG : rot 25:sc= 0.658 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 ASN : amide:sc= -0.164 K(o=-0.36,f=-4.8!) USER MOD Set 2.3: A 29 LYS NZ :NH3+ 145:sc= -0.2 (180deg=-1) USER MOD Set 3.1: A 10 HIS : no HD1:sc= 0.0187 K(o=0.019,f=-1) USER MOD Set 3.2: A 27 GLN : amide:sc=-5.44e-05 K(o=0.019,f=-1.1) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 133:sc= 0.068 (180deg=-0.00551) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1 X(o=-1,f=-0.59) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 155:sc= 0.825 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 45 ASN : amide:sc= -0.558 K(o=-0.56,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0811 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -9.296 -10.684 -6.798 1.00 0.00 N ATOM 2 CA GLN A 1 -10.636 -10.095 -7.002 1.00 0.00 C ATOM 3 C GLN A 1 -10.814 -8.781 -6.215 1.00 0.00 C ATOM 4 O GLN A 1 -10.089 -8.560 -5.242 1.00 0.00 O ATOM 5 CB GLN A 1 -11.734 -11.103 -6.602 1.00 0.00 C ATOM 6 CG GLN A 1 -11.676 -11.523 -5.121 1.00 0.00 C ATOM 7 CD GLN A 1 -12.915 -12.319 -4.702 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.858 -13.539 -4.561 1.00 0.00 O ATOM 9 NE2 GLN A 1 -14.038 -11.626 -4.492 1.00 0.00 N ATOM 0 H1 GLN A 1 -9.391 -11.699 -6.593 1.00 0.00 H new ATOM 0 H2 GLN A 1 -8.726 -10.556 -7.658 1.00 0.00 H new ATOM 0 H3 GLN A 1 -8.827 -10.212 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.729 -9.862 -8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.710 -10.665 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.645 -11.992 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.783 -12.125 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.587 -10.635 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.044 -10.614 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -14.889 -12.109 -4.204 1.00 0.00 H new ATOM 20 N PRO A 2 -11.768 -7.902 -6.600 1.00 0.00 N ATOM 21 CA PRO A 2 -12.042 -6.645 -5.905 1.00 0.00 C ATOM 22 C PRO A 2 -12.348 -6.911 -4.421 1.00 0.00 C ATOM 23 O PRO A 2 -13.248 -7.692 -4.113 1.00 0.00 O ATOM 24 CB PRO A 2 -13.230 -6.008 -6.640 1.00 0.00 C ATOM 25 CG PRO A 2 -13.078 -6.552 -8.058 1.00 0.00 C ATOM 26 CD PRO A 2 -12.580 -7.977 -7.810 1.00 0.00 C ATOM 0 HA PRO A 2 -11.185 -5.971 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.183 -6.296 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.184 -4.919 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.023 -6.540 -8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.367 -5.969 -8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.414 -8.667 -7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.994 -8.340 -8.654 1.00 0.00 H new ATOM 34 N LEU A 3 -11.580 -6.281 -3.518 1.00 0.00 N ATOM 35 CA LEU A 3 -11.669 -6.408 -2.063 1.00 0.00 C ATOM 36 C LEU A 3 -11.187 -7.811 -1.687 1.00 0.00 C ATOM 37 O LEU A 3 -11.942 -8.783 -1.732 1.00 0.00 O ATOM 38 CB LEU A 3 -13.077 -6.076 -1.539 1.00 0.00 C ATOM 39 CG LEU A 3 -13.116 -5.675 -0.049 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.543 -5.244 0.323 1.00 0.00 C ATOM 41 CD2 LEU A 3 -12.659 -6.798 0.897 1.00 0.00 C ATOM 0 H LEU A 3 -10.843 -5.636 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.026 -5.675 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.492 -5.263 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.722 -6.942 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.413 -4.852 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.575 -4.960 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.838 -4.394 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.230 -6.072 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.711 -6.449 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.309 -7.664 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.633 -7.078 0.660 1.00 0.00 H new ATOM 53 N ARG A 4 -9.903 -7.881 -1.325 1.00 0.00 N ATOM 54 CA ARG A 4 -9.187 -9.088 -0.930 1.00 0.00 C ATOM 55 C ARG A 4 -8.367 -8.828 0.320 1.00 0.00 C ATOM 56 O ARG A 4 -8.343 -7.736 0.892 1.00 0.00 O ATOM 57 CB ARG A 4 -8.240 -9.511 -2.078 1.00 0.00 C ATOM 58 CG ARG A 4 -7.697 -10.953 -2.209 1.00 0.00 C ATOM 59 CD ARG A 4 -8.795 -12.025 -2.284 1.00 0.00 C ATOM 60 NE ARG A 4 -9.393 -12.305 -0.972 1.00 0.00 N ATOM 61 CZ ARG A 4 -10.607 -12.840 -0.749 1.00 0.00 C ATOM 62 NH1 ARG A 4 -11.401 -13.227 -1.760 1.00 0.00 N ATOM 63 NH2 ARG A 4 -11.034 -12.989 0.513 1.00 0.00 N ATOM 0 H ARG A 4 -9.308 -7.053 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.908 -9.879 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.757 -9.285 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.373 -8.853 -2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.077 -11.018 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.051 -11.167 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.573 -11.697 -2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.375 -12.944 -2.693 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.834 -12.071 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.088 -13.118 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.317 -13.630 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.441 -12.698 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.952 -13.393 0.696 1.00 0.00 H new ATOM 77 N LYS A 5 -7.678 -9.896 0.708 1.00 0.00 N ATOM 78 CA LYS A 5 -6.754 -9.905 1.836 1.00 0.00 C ATOM 79 C LYS A 5 -5.488 -9.125 1.485 1.00 0.00 C ATOM 80 O LYS A 5 -4.778 -8.669 2.378 1.00 0.00 O ATOM 81 CB LYS A 5 -6.432 -11.339 2.298 1.00 0.00 C ATOM 82 CG LYS A 5 -7.656 -12.217 2.613 1.00 0.00 C ATOM 83 CD LYS A 5 -8.654 -11.598 3.605 1.00 0.00 C ATOM 84 CE LYS A 5 -8.044 -11.236 4.968 1.00 0.00 C ATOM 85 NZ LYS A 5 -7.501 -12.413 5.670 1.00 0.00 N ATOM 0 H LYS A 5 -7.748 -10.798 0.237 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.237 -9.409 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.843 -11.829 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.805 -11.285 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.179 -12.435 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.309 -13.169 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.081 -10.699 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.475 -12.297 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.250 -10.503 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.805 -10.764 5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.101 -12.118 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.263 -13.103 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.756 -12.850 5.091 1.00 0.00 H new ATOM 99 N LEU A 6 -5.239 -8.957 0.181 1.00 0.00 N ATOM 100 CA LEU A 6 -4.166 -8.190 -0.422 1.00 0.00 C ATOM 101 C LEU A 6 -4.068 -6.827 0.268 1.00 0.00 C ATOM 102 O LEU A 6 -2.989 -6.378 0.642 1.00 0.00 O ATOM 103 CB LEU A 6 -4.535 -8.035 -1.916 1.00 0.00 C ATOM 104 CG LEU A 6 -3.534 -7.447 -2.922 1.00 0.00 C ATOM 105 CD1 LEU A 6 -3.033 -6.067 -2.498 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.396 -8.427 -3.231 1.00 0.00 C ATOM 0 H LEU A 6 -5.833 -9.391 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.198 -8.679 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.810 -9.024 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.432 -7.418 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.070 -7.295 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.328 -5.692 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.877 -5.382 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.536 -6.142 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.710 -7.974 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.859 -8.663 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.809 -9.342 -3.655 1.00 0.00 H new ATOM 118 N CYS A 7 -5.240 -6.226 0.493 1.00 0.00 N ATOM 119 CA CYS A 7 -5.394 -4.898 1.095 1.00 0.00 C ATOM 120 C CYS A 7 -5.397 -4.921 2.629 1.00 0.00 C ATOM 121 O CYS A 7 -5.022 -3.929 3.253 1.00 0.00 O ATOM 122 CB CYS A 7 -6.683 -4.260 0.559 1.00 0.00 C ATOM 123 SG CYS A 7 -6.582 -3.712 -1.170 1.00 0.00 S ATOM 0 H CYS A 7 -6.131 -6.661 0.255 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.526 -4.303 0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.497 -4.979 0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.939 -3.405 1.185 1.00 0.00 H new ATOM 128 N ILE A 8 -5.814 -6.039 3.233 1.00 0.00 N ATOM 129 CA ILE A 8 -5.891 -6.219 4.683 1.00 0.00 C ATOM 130 C ILE A 8 -4.511 -6.557 5.291 1.00 0.00 C ATOM 131 O ILE A 8 -4.352 -6.438 6.507 1.00 0.00 O ATOM 132 CB ILE A 8 -6.987 -7.272 4.995 1.00 0.00 C ATOM 133 CG1 ILE A 8 -8.348 -6.741 4.477 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.087 -7.585 6.501 1.00 0.00 C ATOM 135 CD1 ILE A 8 -9.527 -7.706 4.652 1.00 0.00 C ATOM 0 H ILE A 8 -6.114 -6.863 2.712 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.180 -5.284 5.162 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.718 -8.202 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.579 -5.810 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.248 -6.500 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.868 -8.327 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.133 -7.976 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.331 -6.673 7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.435 -7.246 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.325 -8.630 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.661 -7.929 5.711 1.00 0.00 H new ATOM 147 N LEU A 9 -3.497 -6.921 4.482 1.00 0.00 N ATOM 148 CA LEU A 9 -2.153 -7.263 4.962 1.00 0.00 C ATOM 149 C LEU A 9 -1.331 -6.033 5.396 1.00 0.00 C ATOM 150 O LEU A 9 -0.177 -6.207 5.787 1.00 0.00 O ATOM 151 CB LEU A 9 -1.407 -8.032 3.848 1.00 0.00 C ATOM 152 CG LEU A 9 -1.885 -9.489 3.676 1.00 0.00 C ATOM 153 CD1 LEU A 9 -1.474 -10.014 2.292 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.307 -10.411 4.760 1.00 0.00 C ATOM 0 H LEU A 9 -3.594 -6.985 3.469 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.269 -7.882 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.536 -7.503 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.340 -8.032 4.070 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.971 -9.492 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.815 -11.043 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.927 -9.394 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.389 -9.978 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.668 -11.428 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.218 -10.400 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.624 -10.061 5.742 1.00 0.00 H new ATOM 166 N HIS A 10 -1.898 -4.813 5.348 1.00 0.00 N ATOM 167 CA HIS A 10 -1.236 -3.551 5.699 1.00 0.00 C ATOM 168 C HIS A 10 -0.048 -3.302 4.749 1.00 0.00 C ATOM 169 O HIS A 10 0.196 -4.084 3.829 1.00 0.00 O ATOM 170 CB HIS A 10 -0.811 -3.529 7.183 1.00 0.00 C ATOM 171 CG HIS A 10 -1.951 -3.735 8.152 1.00 0.00 C ATOM 172 ND1 HIS A 10 -2.343 -5.011 8.560 1.00 0.00 N ATOM 173 CD2 HIS A 10 -2.752 -2.808 8.766 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.355 -4.801 9.406 1.00 0.00 C ATOM 175 NE2 HIS A 10 -3.635 -3.498 9.569 1.00 0.00 N ATOM 0 H HIS A 10 -2.865 -4.679 5.052 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.947 -2.734 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.063 -4.305 7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.332 -2.574 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.701 -1.736 8.644 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.891 -5.595 9.906 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.357 -3.098 10.168 1.00 0.00 H new ATOM 183 N ARG A 11 0.705 -2.214 4.959 1.00 0.00 N ATOM 184 CA ARG A 11 1.850 -1.842 4.149 1.00 0.00 C ATOM 185 C ARG A 11 2.902 -2.963 4.057 1.00 0.00 C ATOM 186 O ARG A 11 2.974 -3.834 4.925 1.00 0.00 O ATOM 187 CB ARG A 11 2.421 -0.535 4.710 1.00 0.00 C ATOM 188 CG ARG A 11 3.380 -0.640 5.904 1.00 0.00 C ATOM 189 CD ARG A 11 2.654 -1.066 7.187 1.00 0.00 C ATOM 190 NE ARG A 11 3.557 -1.063 8.346 1.00 0.00 N ATOM 191 CZ ARG A 11 3.216 -1.418 9.598 1.00 0.00 C ATOM 192 NH1 ARG A 11 1.965 -1.808 9.895 1.00 0.00 N ATOM 193 NH2 ARG A 11 4.140 -1.382 10.568 1.00 0.00 N ATOM 0 H ARG A 11 0.522 -1.558 5.718 1.00 0.00 H new ATOM 0 HA ARG A 11 1.532 -1.685 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.943 -0.021 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.585 0.100 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.166 -1.360 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.866 0.322 6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.819 -0.391 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.235 -2.063 7.054 1.00 0.00 H new ATOM 0 HE ARG A 11 4.521 -0.768 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.254 -1.839 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.727 -2.073 10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.093 -1.087 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.891 -1.649 11.520 1.00 0.00 H new ATOM 207 N ASN A 12 3.723 -2.927 2.998 1.00 0.00 N ATOM 208 CA ASN A 12 4.751 -3.932 2.727 1.00 0.00 C ATOM 209 C ASN A 12 5.885 -3.326 1.878 1.00 0.00 C ATOM 210 O ASN A 12 5.881 -3.467 0.654 1.00 0.00 O ATOM 211 CB ASN A 12 4.095 -5.164 2.058 1.00 0.00 C ATOM 212 CG ASN A 12 2.908 -4.835 1.137 1.00 0.00 C ATOM 213 OD1 ASN A 12 1.757 -5.052 1.507 1.00 0.00 O ATOM 214 ND2 ASN A 12 3.176 -4.285 -0.046 1.00 0.00 N ATOM 0 H ASN A 12 3.688 -2.186 2.298 1.00 0.00 H new ATOM 0 HA ASN A 12 5.207 -4.264 3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.852 -5.693 1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.755 -5.847 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.414 -4.031 -0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.143 -4.118 -0.323 1.00 0.00 H new ATOM 221 N PRO A 13 6.872 -2.666 2.522 1.00 0.00 N ATOM 222 CA PRO A 13 8.013 -2.034 1.876 1.00 0.00 C ATOM 223 C PRO A 13 8.813 -2.954 0.958 1.00 0.00 C ATOM 224 O PRO A 13 9.049 -2.646 -0.205 1.00 0.00 O ATOM 225 CB PRO A 13 8.890 -1.468 3.003 1.00 0.00 C ATOM 226 CG PRO A 13 7.883 -1.179 4.109 1.00 0.00 C ATOM 227 CD PRO A 13 6.825 -2.266 3.917 1.00 0.00 C ATOM 0 HA PRO A 13 7.650 -1.255 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.647 -2.184 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.416 -0.566 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.343 -1.235 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.456 -0.181 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.024 -3.117 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.835 -1.890 4.177 1.00 0.00 H new ATOM 235 N GLY A 14 9.223 -4.083 1.526 1.00 0.00 N ATOM 236 CA GLY A 14 10.026 -5.127 0.900 1.00 0.00 C ATOM 237 C GLY A 14 11.514 -4.942 1.238 1.00 0.00 C ATOM 238 O GLY A 14 11.933 -3.881 1.704 1.00 0.00 O ATOM 0 H GLY A 14 8.990 -4.307 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.689 -6.106 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.887 -5.101 -0.181 1.00 0.00 H new ATOM 242 N ARG A 15 12.320 -5.986 0.995 1.00 0.00 N ATOM 243 CA ARG A 15 13.753 -6.004 1.281 1.00 0.00 C ATOM 244 C ARG A 15 14.585 -5.504 0.088 1.00 0.00 C ATOM 245 O ARG A 15 14.847 -6.263 -0.845 1.00 0.00 O ATOM 246 CB ARG A 15 14.152 -7.435 1.698 1.00 0.00 C ATOM 247 CG ARG A 15 15.616 -7.517 2.163 1.00 0.00 C ATOM 248 CD ARG A 15 15.956 -8.928 2.660 1.00 0.00 C ATOM 249 NE ARG A 15 17.350 -9.012 3.120 1.00 0.00 N ATOM 250 CZ ARG A 15 17.927 -10.094 3.677 1.00 0.00 C ATOM 251 NH1 ARG A 15 17.243 -11.235 3.854 1.00 0.00 N ATOM 252 NH2 ARG A 15 19.210 -10.030 4.062 1.00 0.00 N ATOM 0 H ARG A 15 11.982 -6.857 0.586 1.00 0.00 H new ATOM 0 HA ARG A 15 13.964 -5.315 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.498 -7.773 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 15 14.001 -8.112 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 15 16.278 -7.248 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.789 -6.795 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.285 -9.200 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.792 -9.648 1.858 1.00 0.00 H new ATOM 0 HE ARG A 15 17.929 -8.180 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.267 -11.295 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.699 -12.043 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 15 19.739 -9.168 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.657 -10.844 4.485 1.00 0.00 H new ATOM 266 N CYS A 16 15.004 -4.228 0.129 1.00 0.00 N ATOM 267 CA CYS A 16 15.844 -3.590 -0.882 1.00 0.00 C ATOM 268 C CYS A 16 16.660 -2.472 -0.234 1.00 0.00 C ATOM 269 O CYS A 16 17.884 -2.560 -0.133 1.00 0.00 O ATOM 270 CB CYS A 16 15.029 -3.120 -2.098 1.00 0.00 C ATOM 271 SG CYS A 16 16.073 -2.588 -3.495 1.00 0.00 S ATOM 0 H CYS A 16 14.756 -3.598 0.892 1.00 0.00 H new ATOM 0 HA CYS A 16 16.543 -4.325 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.378 -3.930 -2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.384 -2.294 -1.799 1.00 0.00 H new ATOM 276 N TYR A 17 15.954 -1.430 0.203 1.00 0.00 N ATOM 277 CA TYR A 17 16.506 -0.247 0.856 1.00 0.00 C ATOM 278 C TYR A 17 15.472 0.365 1.830 1.00 0.00 C ATOM 279 O TYR A 17 15.297 -0.168 2.924 1.00 0.00 O ATOM 280 CB TYR A 17 16.987 0.753 -0.223 1.00 0.00 C ATOM 281 CG TYR A 17 18.332 0.419 -0.849 1.00 0.00 C ATOM 282 CD1 TYR A 17 19.514 0.476 -0.075 1.00 0.00 C ATOM 283 CD2 TYR A 17 18.405 0.032 -2.207 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.754 0.120 -0.646 1.00 0.00 C ATOM 285 CE2 TYR A 17 19.645 -0.328 -2.777 1.00 0.00 C ATOM 286 CZ TYR A 17 20.820 -0.287 -1.996 1.00 0.00 C ATOM 287 OH TYR A 17 22.021 -0.639 -2.542 1.00 0.00 O ATOM 0 H TYR A 17 14.939 -1.387 0.107 1.00 0.00 H new ATOM 0 HA TYR A 17 17.371 -0.519 1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.237 0.802 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.046 1.746 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.467 0.793 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.509 0.012 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.654 0.159 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.695 -0.635 -3.811 1.00 0.00 H new ATOM 0 HH TYR A 17 21.892 -0.895 -3.479 1.00 0.00 H new ATOM 297 N GLN A 18 14.813 1.467 1.423 1.00 0.00 N ATOM 298 CA GLN A 18 13.822 2.318 2.105 1.00 0.00 C ATOM 299 C GLN A 18 14.066 3.683 1.454 1.00 0.00 C ATOM 300 O GLN A 18 14.968 4.399 1.895 1.00 0.00 O ATOM 301 CB GLN A 18 14.011 2.333 3.642 1.00 0.00 C ATOM 302 CG GLN A 18 13.078 3.295 4.400 1.00 0.00 C ATOM 303 CD GLN A 18 13.592 4.739 4.463 1.00 0.00 C ATOM 304 OE1 GLN A 18 14.510 5.034 5.226 1.00 0.00 O ATOM 305 NE2 GLN A 18 13.009 5.647 3.675 1.00 0.00 N ATOM 0 H GLN A 18 14.988 1.827 0.485 1.00 0.00 H new ATOM 0 HA GLN A 18 12.795 1.970 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.855 1.324 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.044 2.601 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.099 3.289 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.938 2.925 5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.250 5.370 3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.323 6.617 3.696 1.00 0.00 H new ATOM 314 N LYS A 19 13.315 4.044 0.391 1.00 0.00 N ATOM 315 CA LYS A 19 13.581 5.295 -0.321 1.00 0.00 C ATOM 316 C LYS A 19 12.478 5.902 -1.196 1.00 0.00 C ATOM 317 O LYS A 19 12.659 7.034 -1.647 1.00 0.00 O ATOM 318 CB LYS A 19 14.743 4.914 -1.254 1.00 0.00 C ATOM 319 CG LYS A 19 15.484 6.032 -1.993 1.00 0.00 C ATOM 320 CD LYS A 19 16.546 5.342 -2.857 1.00 0.00 C ATOM 321 CE LYS A 19 17.465 6.359 -3.544 1.00 0.00 C ATOM 322 NZ LYS A 19 18.491 5.693 -4.365 1.00 0.00 N ATOM 0 H LYS A 19 12.539 3.496 0.020 1.00 0.00 H new ATOM 0 HA LYS A 19 13.740 6.066 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.476 4.365 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.354 4.223 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.798 6.613 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.945 6.725 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.142 4.674 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.057 4.725 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.870 7.023 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.948 6.981 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.095 6.410 -4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.074 5.079 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.029 5.119 -5.099 1.00 0.00 H new ATOM 336 N ILE A 20 11.355 5.217 -1.434 1.00 0.00 N ATOM 337 CA ILE A 20 10.320 5.711 -2.346 1.00 0.00 C ATOM 338 C ILE A 20 8.963 5.831 -1.661 1.00 0.00 C ATOM 339 O ILE A 20 8.458 4.811 -1.214 1.00 0.00 O ATOM 340 CB ILE A 20 10.143 4.725 -3.535 1.00 0.00 C ATOM 341 CG1 ILE A 20 11.429 4.102 -4.122 1.00 0.00 C ATOM 342 CG2 ILE A 20 9.330 5.453 -4.624 1.00 0.00 C ATOM 343 CD1 ILE A 20 12.322 5.058 -4.909 1.00 0.00 C ATOM 0 H ILE A 20 11.140 4.316 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 20 10.648 6.694 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 20 9.624 3.853 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 20 12.012 3.678 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.147 3.276 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.186 4.789 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.359 5.742 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.869 6.344 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.196 4.520 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 20 11.765 5.465 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.644 5.873 -4.260 1.00 0.00 H new ATOM 355 N PRO A 21 8.320 7.009 -1.586 1.00 0.00 N ATOM 356 CA PRO A 21 7.005 7.083 -0.981 1.00 0.00 C ATOM 357 C PRO A 21 5.938 6.548 -1.937 1.00 0.00 C ATOM 358 O PRO A 21 5.961 6.780 -3.146 1.00 0.00 O ATOM 359 CB PRO A 21 6.743 8.531 -0.621 1.00 0.00 C ATOM 360 CG PRO A 21 7.720 9.317 -1.505 1.00 0.00 C ATOM 361 CD PRO A 21 8.851 8.336 -1.844 1.00 0.00 C ATOM 0 HA PRO A 21 6.964 6.465 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.709 8.811 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.924 8.718 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.228 9.676 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.104 10.193 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.157 8.438 -2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.732 8.530 -1.232 1.00 0.00 H new ATOM 369 N ALA A 22 5.004 5.829 -1.324 1.00 0.00 N ATOM 370 CA ALA A 22 3.839 5.186 -1.943 1.00 0.00 C ATOM 371 C ALA A 22 2.639 5.285 -0.984 1.00 0.00 C ATOM 372 O ALA A 22 2.624 6.179 -0.138 1.00 0.00 O ATOM 373 CB ALA A 22 4.216 3.739 -2.293 1.00 0.00 C ATOM 0 H ALA A 22 5.038 5.666 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 22 3.545 5.684 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.363 3.242 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.056 3.740 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.498 3.207 -1.385 1.00 0.00 H new ATOM 379 N PHE A 23 1.617 4.416 -1.123 1.00 0.00 N ATOM 380 CA PHE A 23 0.437 4.390 -0.255 1.00 0.00 C ATOM 381 C PHE A 23 0.020 2.941 0.078 1.00 0.00 C ATOM 382 O PHE A 23 0.315 1.994 -0.652 1.00 0.00 O ATOM 383 CB PHE A 23 -0.782 5.048 -0.912 1.00 0.00 C ATOM 384 CG PHE A 23 -0.645 6.497 -1.337 1.00 0.00 C ATOM 385 CD1 PHE A 23 0.116 6.838 -2.471 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.276 7.514 -0.586 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.406 8.194 -2.741 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.001 8.869 -0.861 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.148 9.209 -1.932 1.00 0.00 C ATOM 0 H PHE A 23 1.594 3.705 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 23 0.726 4.937 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.048 4.462 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.619 4.978 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.477 6.065 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.970 7.253 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.052 8.454 -3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.442 9.645 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.081 10.245 -2.133 1.00 0.00 H new ATOM 399 N TYR A 24 -0.715 2.821 1.187 1.00 0.00 N ATOM 400 CA TYR A 24 -1.289 1.608 1.771 1.00 0.00 C ATOM 401 C TYR A 24 -2.667 1.929 2.372 1.00 0.00 C ATOM 402 O TYR A 24 -2.874 3.038 2.859 1.00 0.00 O ATOM 403 CB TYR A 24 -0.350 1.006 2.838 1.00 0.00 C ATOM 404 CG TYR A 24 -0.641 1.421 4.280 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.389 2.743 4.712 1.00 0.00 C ATOM 406 CD2 TYR A 24 -1.231 0.499 5.175 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.682 3.125 6.038 1.00 0.00 C ATOM 408 CE2 TYR A 24 -1.536 0.883 6.497 1.00 0.00 C ATOM 409 CZ TYR A 24 -1.263 2.198 6.930 1.00 0.00 C ATOM 410 OH TYR A 24 -1.569 2.569 8.208 1.00 0.00 O ATOM 0 H TYR A 24 -0.943 3.643 1.747 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.409 0.863 0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.404 -0.081 2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.675 1.289 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.029 3.463 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.449 -0.506 4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.461 4.128 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.978 0.171 7.178 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.963 1.808 8.684 1.00 0.00 H new ATOM 420 N TYR A 25 -3.570 0.941 2.436 1.00 0.00 N ATOM 421 CA TYR A 25 -4.923 1.113 2.960 1.00 0.00 C ATOM 422 C TYR A 25 -4.872 1.106 4.490 1.00 0.00 C ATOM 423 O TYR A 25 -4.619 0.062 5.092 1.00 0.00 O ATOM 424 CB TYR A 25 -5.825 -0.013 2.423 1.00 0.00 C ATOM 425 CG TYR A 25 -7.273 -0.025 2.911 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.997 1.182 3.050 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.921 -1.254 3.184 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.346 1.159 3.458 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.296 -1.279 3.506 1.00 0.00 C ATOM 430 CZ TYR A 25 -10.000 -0.070 3.678 1.00 0.00 C ATOM 431 OH TYR A 25 -11.317 -0.084 4.038 1.00 0.00 O ATOM 0 H TYR A 25 -3.375 -0.009 2.121 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.340 2.066 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.833 0.048 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.370 -0.968 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.514 2.125 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.361 -2.177 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.880 2.086 3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.807 -2.223 3.620 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.616 -1.011 4.150 1.00 0.00 H new ATOM 441 N ASN A 26 -5.105 2.278 5.112 1.00 0.00 N ATOM 442 CA ASN A 26 -5.091 2.427 6.556 1.00 0.00 C ATOM 443 C ASN A 26 -6.478 2.018 7.062 1.00 0.00 C ATOM 444 O ASN A 26 -7.463 2.704 6.794 1.00 0.00 O ATOM 445 CB ASN A 26 -4.709 3.876 6.887 1.00 0.00 C ATOM 446 CG ASN A 26 -4.501 4.129 8.382 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.946 3.356 9.227 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.801 5.215 8.713 1.00 0.00 N ATOM 0 H ASN A 26 -5.308 3.144 4.613 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.356 1.793 7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.794 4.133 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.490 4.542 6.520 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.620 5.426 9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.447 5.835 7.985 1.00 0.00 H new ATOM 455 N GLN A 27 -6.544 0.893 7.789 1.00 0.00 N ATOM 456 CA GLN A 27 -7.762 0.305 8.344 1.00 0.00 C ATOM 457 C GLN A 27 -8.176 0.977 9.667 1.00 0.00 C ATOM 458 O GLN A 27 -8.515 0.304 10.640 1.00 0.00 O ATOM 459 CB GLN A 27 -7.541 -1.214 8.487 1.00 0.00 C ATOM 460 CG GLN A 27 -7.156 -1.848 7.138 1.00 0.00 C ATOM 461 CD GLN A 27 -7.114 -3.375 7.209 1.00 0.00 C ATOM 462 OE1 GLN A 27 -8.138 -4.035 7.043 1.00 0.00 O ATOM 463 NE2 GLN A 27 -5.928 -3.943 7.446 1.00 0.00 N ATOM 0 H GLN A 27 -5.711 0.348 8.013 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.599 0.479 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.755 -1.403 9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.449 -1.683 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.873 -1.541 6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.181 -1.473 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.101 -3.361 7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.850 -4.959 7.494 1.00 0.00 H new ATOM 472 N LYS A 28 -8.155 2.317 9.678 1.00 0.00 N ATOM 473 CA LYS A 28 -8.524 3.211 10.783 1.00 0.00 C ATOM 474 C LYS A 28 -9.190 4.450 10.173 1.00 0.00 C ATOM 475 O LYS A 28 -10.250 4.908 10.599 1.00 0.00 O ATOM 476 CB LYS A 28 -7.297 3.597 11.633 1.00 0.00 C ATOM 477 CG LYS A 28 -6.592 2.380 12.257 1.00 0.00 C ATOM 478 CD LYS A 28 -5.463 2.776 13.222 1.00 0.00 C ATOM 479 CE LYS A 28 -4.280 3.450 12.509 1.00 0.00 C ATOM 480 NZ LYS A 28 -3.169 3.718 13.439 1.00 0.00 N ATOM 0 H LYS A 28 -7.858 2.842 8.855 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.214 2.705 11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.587 4.142 11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.610 4.275 12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.325 1.776 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.183 1.756 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.859 3.453 13.979 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.108 1.887 13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.931 2.811 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.611 4.385 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.388 4.173 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.497 4.348 14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.837 2.822 13.851 1.00 0.00 H new ATOM 494 N LYS A 29 -8.506 4.953 9.150 1.00 0.00 N ATOM 495 CA LYS A 29 -8.788 6.071 8.266 1.00 0.00 C ATOM 496 C LYS A 29 -9.857 5.741 7.277 1.00 0.00 C ATOM 497 O LYS A 29 -10.747 6.543 6.981 1.00 0.00 O ATOM 498 CB LYS A 29 -7.494 6.364 7.544 1.00 0.00 C ATOM 499 CG LYS A 29 -7.708 7.591 6.670 1.00 0.00 C ATOM 500 CD LYS A 29 -6.436 8.017 5.961 1.00 0.00 C ATOM 501 CE LYS A 29 -5.516 8.956 6.755 1.00 0.00 C ATOM 502 NZ LYS A 29 -4.836 8.291 7.879 1.00 0.00 N ATOM 0 H LYS A 29 -7.619 4.522 8.890 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.148 6.927 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.691 6.541 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.196 5.510 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.480 7.379 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.073 8.414 7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.872 7.123 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.709 8.509 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.767 9.374 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.103 9.791 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.883 8.691 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.381 8.440 8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.763 7.272 7.686 1.00 0.00 H new ATOM 516 N LYS A 30 -9.671 4.553 6.731 1.00 0.00 N ATOM 517 CA LYS A 30 -10.548 3.965 5.779 1.00 0.00 C ATOM 518 C LYS A 30 -10.417 4.723 4.447 1.00 0.00 C ATOM 519 O LYS A 30 -11.385 5.239 3.890 1.00 0.00 O ATOM 520 CB LYS A 30 -11.913 3.913 6.498 1.00 0.00 C ATOM 521 CG LYS A 30 -12.029 2.579 7.254 1.00 0.00 C ATOM 522 CD LYS A 30 -13.474 2.076 7.377 1.00 0.00 C ATOM 523 CE LYS A 30 -14.022 1.569 6.035 1.00 0.00 C ATOM 524 NZ LYS A 30 -15.405 1.080 6.167 1.00 0.00 N ATOM 0 H LYS A 30 -8.871 3.963 6.958 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.335 2.944 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.005 4.748 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.723 4.008 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.431 1.825 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.606 2.696 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.517 1.273 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.108 2.882 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.988 2.373 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.386 0.767 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.744 0.745 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.433 0.297 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.016 1.853 6.501 1.00 0.00 H new ATOM 538 N GLN A 31 -9.160 4.747 3.968 1.00 0.00 N ATOM 539 CA GLN A 31 -8.620 5.356 2.757 1.00 0.00 C ATOM 540 C GLN A 31 -7.118 5.002 2.716 1.00 0.00 C ATOM 541 O GLN A 31 -6.545 4.536 3.713 1.00 0.00 O ATOM 542 CB GLN A 31 -8.866 6.881 2.769 1.00 0.00 C ATOM 543 CG GLN A 31 -8.351 7.614 1.517 1.00 0.00 C ATOM 544 CD GLN A 31 -8.812 9.073 1.473 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.567 9.466 0.586 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.354 9.886 2.430 1.00 0.00 N ATOM 0 H GLN A 31 -8.417 4.282 4.490 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.111 4.979 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.936 7.064 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.386 7.308 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.262 7.578 1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.702 7.096 0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.729 9.524 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.630 10.868 2.440 1.00 0.00 H new ATOM 555 N CYS A 32 -6.463 5.196 1.559 1.00 0.00 N ATOM 556 CA CYS A 32 -5.058 4.895 1.421 1.00 0.00 C ATOM 557 C CYS A 32 -4.226 6.045 1.968 1.00 0.00 C ATOM 558 O CYS A 32 -4.266 7.154 1.433 1.00 0.00 O ATOM 559 CB CYS A 32 -4.689 4.644 -0.043 1.00 0.00 C ATOM 560 SG CYS A 32 -3.532 3.296 -0.391 1.00 0.00 S ATOM 0 H CYS A 32 -6.900 5.562 0.713 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.848 3.988 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.609 4.449 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.266 5.564 -0.446 1.00 0.00 H new ATOM 565 N GLU A 33 -3.512 5.782 3.064 1.00 0.00 N ATOM 566 CA GLU A 33 -2.580 6.731 3.641 1.00 0.00 C ATOM 567 C GLU A 33 -1.289 6.445 2.900 1.00 0.00 C ATOM 568 O GLU A 33 -1.086 5.388 2.308 1.00 0.00 O ATOM 569 CB GLU A 33 -2.413 6.515 5.141 1.00 0.00 C ATOM 570 CG GLU A 33 -1.248 7.154 5.900 1.00 0.00 C ATOM 571 CD GLU A 33 -1.268 8.685 5.885 1.00 0.00 C ATOM 572 OE1 GLU A 33 -2.135 9.253 6.584 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.409 9.266 5.186 1.00 0.00 O ATOM 0 H GLU A 33 -3.570 4.900 3.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.914 7.764 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.332 6.857 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.350 5.439 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.267 6.810 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.310 6.808 5.466 1.00 0.00 H new ATOM 580 N GLY A 34 -0.397 7.407 2.967 1.00 0.00 N ATOM 581 CA GLY A 34 0.888 7.282 2.290 1.00 0.00 C ATOM 582 C GLY A 34 1.891 6.575 3.190 1.00 0.00 C ATOM 583 O GLY A 34 2.003 6.944 4.361 1.00 0.00 O ATOM 0 H GLY A 34 -0.529 8.280 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.765 6.724 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.263 8.270 2.021 1.00 0.00 H new ATOM 587 N PHE A 35 2.622 5.579 2.660 1.00 0.00 N ATOM 588 CA PHE A 35 3.580 4.835 3.473 1.00 0.00 C ATOM 589 C PHE A 35 4.950 4.950 2.771 1.00 0.00 C ATOM 590 O PHE A 35 5.051 5.453 1.649 1.00 0.00 O ATOM 591 CB PHE A 35 3.169 3.348 3.572 1.00 0.00 C ATOM 592 CG PHE A 35 3.577 2.381 2.475 1.00 0.00 C ATOM 593 CD1 PHE A 35 3.009 2.407 1.194 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.577 1.427 2.768 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.300 1.383 0.267 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.870 0.400 1.850 1.00 0.00 C ATOM 597 CZ PHE A 35 4.212 0.361 0.605 1.00 0.00 C ATOM 0 H PHE A 35 2.565 5.279 1.687 1.00 0.00 H new ATOM 0 HA PHE A 35 3.617 5.239 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.566 2.962 4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.082 3.315 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.347 3.213 0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.119 1.486 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.824 1.382 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.598 -0.357 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.404 -0.446 -0.086 1.00 0.00 H new ATOM 607 N THR A 36 6.011 4.452 3.417 1.00 0.00 N ATOM 608 CA THR A 36 7.367 4.465 2.872 1.00 0.00 C ATOM 609 C THR A 36 7.606 3.111 2.189 1.00 0.00 C ATOM 610 O THR A 36 7.624 2.085 2.868 1.00 0.00 O ATOM 611 CB THR A 36 8.378 4.734 4.002 1.00 0.00 C ATOM 612 OG1 THR A 36 8.059 5.946 4.661 1.00 0.00 O ATOM 613 CG2 THR A 36 9.800 4.848 3.441 1.00 0.00 C ATOM 0 H THR A 36 5.948 4.025 4.341 1.00 0.00 H new ATOM 0 HA THR A 36 7.495 5.260 2.137 1.00 0.00 H new ATOM 0 HB THR A 36 8.327 3.900 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.706 6.108 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.498 5.038 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.070 3.918 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.844 5.670 2.726 1.00 0.00 H new ATOM 621 N TRP A 37 7.785 3.102 0.858 1.00 0.00 N ATOM 622 CA TRP A 37 8.029 1.899 0.059 1.00 0.00 C ATOM 623 C TRP A 37 9.545 1.789 -0.182 1.00 0.00 C ATOM 624 O TRP A 37 10.234 2.794 -0.352 1.00 0.00 O ATOM 625 CB TRP A 37 7.174 1.919 -1.236 1.00 0.00 C ATOM 626 CG TRP A 37 7.653 1.039 -2.354 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.982 -0.264 -2.246 1.00 0.00 C ATOM 628 CD2 TRP A 37 7.937 1.397 -3.739 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.708 -0.646 -3.355 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.741 0.360 -4.302 1.00 0.00 C ATOM 631 CE3 TRP A 37 7.660 2.518 -4.561 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.372 0.504 -5.554 1.00 0.00 C ATOM 633 CZ3 TRP A 37 8.161 2.594 -5.879 1.00 0.00 C ATOM 634 CH2 TRP A 37 9.080 1.632 -6.345 1.00 0.00 C ATOM 0 H TRP A 37 7.763 3.954 0.298 1.00 0.00 H new ATOM 0 HA TRP A 37 7.713 0.998 0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.156 1.626 -0.980 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.128 2.945 -1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.718 -0.908 -1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 37 9.162 -1.553 -3.462 1.00 0.00 H new ATOM 0 HE3 TRP A 37 7.057 3.326 -4.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.071 -0.242 -5.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 7.839 3.392 -6.532 1.00 0.00 H new ATOM 0 HH2 TRP A 37 9.558 1.760 -7.305 1.00 0.00 H new ATOM 645 N SER A 38 10.068 0.555 -0.180 1.00 0.00 N ATOM 646 CA SER A 38 11.483 0.258 -0.374 1.00 0.00 C ATOM 647 C SER A 38 11.992 0.678 -1.764 1.00 0.00 C ATOM 648 O SER A 38 11.211 0.979 -2.666 1.00 0.00 O ATOM 649 CB SER A 38 11.711 -1.233 -0.093 1.00 0.00 C ATOM 650 OG SER A 38 13.068 -1.504 0.151 1.00 0.00 O ATOM 0 H SER A 38 9.500 -0.280 -0.040 1.00 0.00 H new ATOM 0 HA SER A 38 12.070 0.850 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.116 -1.538 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.367 -1.822 -0.943 1.00 0.00 H new ATOM 0 HG SER A 38 13.147 -2.311 0.701 1.00 0.00 H new ATOM 656 N GLY A 39 13.324 0.708 -1.921 1.00 0.00 N ATOM 657 CA GLY A 39 14.013 1.088 -3.149 1.00 0.00 C ATOM 658 C GLY A 39 13.579 0.292 -4.386 1.00 0.00 C ATOM 659 O GLY A 39 13.423 0.873 -5.460 1.00 0.00 O ATOM 0 H GLY A 39 13.966 0.459 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.842 2.148 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.086 0.958 -3.005 1.00 0.00 H new ATOM 663 N CYS A 40 13.382 -1.026 -4.233 1.00 0.00 N ATOM 664 CA CYS A 40 12.989 -1.942 -5.301 1.00 0.00 C ATOM 665 C CYS A 40 12.157 -3.131 -4.786 1.00 0.00 C ATOM 666 O CYS A 40 12.115 -4.170 -5.445 1.00 0.00 O ATOM 667 CB CYS A 40 14.265 -2.425 -6.021 1.00 0.00 C ATOM 668 SG CYS A 40 15.360 -3.584 -5.134 1.00 0.00 S ATOM 0 H CYS A 40 13.497 -1.493 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 40 12.342 -1.409 -5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.963 -2.899 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.853 -1.546 -6.285 1.00 0.00 H new ATOM 673 N GLY A 41 11.483 -2.993 -3.632 1.00 0.00 N ATOM 674 CA GLY A 41 10.659 -4.040 -3.039 1.00 0.00 C ATOM 675 C GLY A 41 9.229 -3.953 -3.580 1.00 0.00 C ATOM 676 O GLY A 41 9.022 -4.026 -4.791 1.00 0.00 O ATOM 0 H GLY A 41 11.501 -2.134 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.083 -5.019 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.653 -3.938 -1.954 1.00 0.00 H new ATOM 680 N GLY A 42 8.248 -3.799 -2.679 1.00 0.00 N ATOM 681 CA GLY A 42 6.834 -3.685 -3.000 1.00 0.00 C ATOM 682 C GLY A 42 6.202 -5.062 -3.196 1.00 0.00 C ATOM 683 O GLY A 42 6.628 -5.808 -4.077 1.00 0.00 O ATOM 0 H GLY A 42 8.432 -3.750 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.318 -3.155 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.710 -3.092 -3.906 1.00 0.00 H new ATOM 687 N ASN A 43 5.180 -5.386 -2.388 1.00 0.00 N ATOM 688 CA ASN A 43 4.473 -6.664 -2.433 1.00 0.00 C ATOM 689 C ASN A 43 2.978 -6.444 -2.729 1.00 0.00 C ATOM 690 O ASN A 43 2.636 -5.971 -3.813 1.00 0.00 O ATOM 691 CB ASN A 43 4.765 -7.446 -1.133 1.00 0.00 C ATOM 692 CG ASN A 43 6.268 -7.623 -0.880 1.00 0.00 C ATOM 693 OD1 ASN A 43 6.839 -6.965 -0.011 1.00 0.00 O ATOM 694 ND2 ASN A 43 6.917 -8.502 -1.648 1.00 0.00 N ATOM 0 H ASN A 43 4.820 -4.752 -1.675 1.00 0.00 H new ATOM 0 HA ASN A 43 4.833 -7.282 -3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.317 -6.922 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.291 -8.426 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.919 -8.645 -1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.410 -9.030 -2.359 1.00 0.00 H new ATOM 701 N SER A 44 2.095 -6.788 -1.781 1.00 0.00 N ATOM 702 CA SER A 44 0.640 -6.706 -1.881 1.00 0.00 C ATOM 703 C SER A 44 0.083 -5.268 -1.917 1.00 0.00 C ATOM 704 O SER A 44 -0.048 -4.707 -3.004 1.00 0.00 O ATOM 705 CB SER A 44 0.022 -7.568 -0.757 1.00 0.00 C ATOM 706 OG SER A 44 0.643 -7.389 0.497 1.00 0.00 O ATOM 0 H SER A 44 2.398 -7.150 -0.877 1.00 0.00 H new ATOM 0 HA SER A 44 0.345 -7.106 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.037 -7.327 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.087 -8.619 -1.039 1.00 0.00 H new ATOM 0 HG SER A 44 1.070 -6.507 0.528 1.00 0.00 H new ATOM 712 N ASN A 45 -0.278 -4.702 -0.751 1.00 0.00 N ATOM 713 CA ASN A 45 -0.889 -3.380 -0.511 1.00 0.00 C ATOM 714 C ASN A 45 -0.051 -2.139 -0.884 1.00 0.00 C ATOM 715 O ASN A 45 -0.143 -1.085 -0.256 1.00 0.00 O ATOM 716 CB ASN A 45 -1.361 -3.388 0.967 1.00 0.00 C ATOM 717 CG ASN A 45 -2.248 -2.241 1.475 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.690 -1.374 0.730 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.524 -2.242 2.781 1.00 0.00 N ATOM 0 H ASN A 45 -0.137 -5.202 0.127 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.718 -3.257 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.901 -4.320 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.471 -3.418 1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.114 -1.511 3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.145 -2.974 3.382 1.00 0.00 H new ATOM 726 N ARG A 46 0.786 -2.280 -1.907 1.00 0.00 N ATOM 727 CA ARG A 46 1.656 -1.281 -2.501 1.00 0.00 C ATOM 728 C ARG A 46 0.963 -0.551 -3.669 1.00 0.00 C ATOM 729 O ARG A 46 0.874 -1.113 -4.761 1.00 0.00 O ATOM 730 CB ARG A 46 2.916 -2.036 -2.929 1.00 0.00 C ATOM 731 CG ARG A 46 4.087 -1.151 -3.391 1.00 0.00 C ATOM 732 CD ARG A 46 3.878 -0.529 -4.777 1.00 0.00 C ATOM 733 NE ARG A 46 5.154 -0.214 -5.435 1.00 0.00 N ATOM 734 CZ ARG A 46 5.266 0.192 -6.713 1.00 0.00 C ATOM 735 NH1 ARG A 46 4.189 0.574 -7.417 1.00 0.00 N ATOM 736 NH2 ARG A 46 6.467 0.201 -7.302 1.00 0.00 N ATOM 0 H ARG A 46 0.878 -3.179 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 46 1.908 -0.488 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.253 -2.650 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.654 -2.716 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.238 -0.354 -2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.999 -1.748 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.308 -1.217 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.285 0.380 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 46 6.009 -0.309 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.265 0.560 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.294 0.879 -8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.292 -0.099 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.558 0.508 -8.271 1.00 0.00 H new ATOM 750 N PHE A 47 0.480 0.686 -3.467 1.00 0.00 N ATOM 751 CA PHE A 47 -0.167 1.558 -4.416 1.00 0.00 C ATOM 752 C PHE A 47 0.455 2.948 -4.577 1.00 0.00 C ATOM 753 O PHE A 47 0.946 3.541 -3.626 1.00 0.00 O ATOM 754 CB PHE A 47 -1.655 1.592 -4.114 1.00 0.00 C ATOM 755 CG PHE A 47 -2.324 0.252 -3.840 1.00 0.00 C ATOM 756 CD1 PHE A 47 -2.754 -0.484 -4.970 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.542 -0.269 -2.546 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.458 -1.693 -4.815 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.281 -1.465 -2.396 1.00 0.00 C ATOM 760 CZ PHE A 47 -3.731 -2.180 -3.524 1.00 0.00 C ATOM 0 H PHE A 47 0.547 1.124 -2.548 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.003 1.130 -5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.813 2.235 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.163 2.061 -4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.540 -0.114 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.148 0.241 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.787 -2.244 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.503 -1.835 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.284 -3.099 -3.398 1.00 0.00 H new ATOM 770 N LYS A 48 0.413 3.453 -5.819 1.00 0.00 N ATOM 771 CA LYS A 48 0.926 4.722 -6.287 1.00 0.00 C ATOM 772 C LYS A 48 -0.020 5.884 -5.984 1.00 0.00 C ATOM 773 O LYS A 48 0.445 6.924 -5.522 1.00 0.00 O ATOM 774 CB LYS A 48 1.127 4.589 -7.797 1.00 0.00 C ATOM 775 CG LYS A 48 2.288 3.650 -8.154 1.00 0.00 C ATOM 776 CD LYS A 48 2.549 3.728 -9.661 1.00 0.00 C ATOM 777 CE LYS A 48 3.626 2.729 -10.102 1.00 0.00 C ATOM 778 NZ LYS A 48 3.935 2.863 -11.536 1.00 0.00 N ATOM 0 H LYS A 48 -0.022 2.927 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 48 1.859 4.948 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.209 4.216 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.316 5.574 -8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.184 3.933 -7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.046 2.627 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.624 3.528 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.860 4.739 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.532 2.888 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.288 1.714 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.667 2.173 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.075 2.687 -12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.281 3.825 -11.728 1.00 0.00 H new ATOM 792 N THR A 49 -1.316 5.741 -6.304 1.00 0.00 N ATOM 793 CA THR A 49 -2.333 6.762 -6.045 1.00 0.00 C ATOM 794 C THR A 49 -3.407 6.184 -5.112 1.00 0.00 C ATOM 795 O THR A 49 -3.572 4.968 -4.997 1.00 0.00 O ATOM 796 CB THR A 49 -2.910 7.362 -7.351 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.900 6.529 -7.919 1.00 0.00 O ATOM 798 CG2 THR A 49 -1.828 7.602 -8.417 1.00 0.00 C ATOM 0 H THR A 49 -1.687 4.904 -6.754 1.00 0.00 H new ATOM 0 HA THR A 49 -1.868 7.607 -5.537 1.00 0.00 H new ATOM 0 HB THR A 49 -3.347 8.317 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.242 6.940 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.286 8.023 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.083 8.297 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.347 6.656 -8.666 1.00 0.00 H new ATOM 806 N ILE A 50 -4.136 7.080 -4.438 1.00 0.00 N ATOM 807 CA ILE A 50 -5.196 6.739 -3.493 1.00 0.00 C ATOM 808 C ILE A 50 -6.413 6.114 -4.190 1.00 0.00 C ATOM 809 O ILE A 50 -7.126 5.316 -3.589 1.00 0.00 O ATOM 810 CB ILE A 50 -5.589 8.004 -2.682 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.363 8.575 -1.934 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.708 7.690 -1.669 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.653 9.879 -1.175 1.00 0.00 C ATOM 0 H ILE A 50 -3.999 8.086 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.817 5.980 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.956 8.747 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.999 7.828 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.562 8.753 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.962 8.594 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.589 7.330 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.365 6.924 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.746 10.219 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.988 10.642 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.432 9.703 -0.433 1.00 0.00 H new ATOM 825 N GLU A 51 -6.624 6.420 -5.471 1.00 0.00 N ATOM 826 CA GLU A 51 -7.762 5.924 -6.236 1.00 0.00 C ATOM 827 C GLU A 51 -7.544 4.457 -6.523 1.00 0.00 C ATOM 828 O GLU A 51 -8.356 3.612 -6.172 1.00 0.00 O ATOM 829 CB GLU A 51 -7.941 6.755 -7.518 1.00 0.00 C ATOM 830 CG GLU A 51 -8.016 8.257 -7.208 1.00 0.00 C ATOM 831 CD GLU A 51 -8.510 9.060 -8.412 1.00 0.00 C ATOM 832 OE1 GLU A 51 -7.695 9.256 -9.340 1.00 0.00 O ATOM 833 OE2 GLU A 51 -9.695 9.460 -8.389 1.00 0.00 O ATOM 0 H GLU A 51 -6.003 7.024 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.685 6.028 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.110 6.563 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.850 6.442 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.684 8.421 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.031 8.617 -6.910 1.00 0.00 H new ATOM 840 N GLU A 52 -6.399 4.217 -7.143 1.00 0.00 N ATOM 841 CA GLU A 52 -5.806 2.948 -7.524 1.00 0.00 C ATOM 842 C GLU A 52 -5.831 1.960 -6.356 1.00 0.00 C ATOM 843 O GLU A 52 -6.058 0.766 -6.547 1.00 0.00 O ATOM 844 CB GLU A 52 -4.366 3.282 -7.963 1.00 0.00 C ATOM 845 CG GLU A 52 -4.318 3.639 -9.456 1.00 0.00 C ATOM 846 CD GLU A 52 -2.921 4.076 -9.905 1.00 0.00 C ATOM 847 OE1 GLU A 52 -1.968 3.310 -9.643 1.00 0.00 O ATOM 848 OE2 GLU A 52 -2.828 5.164 -10.515 1.00 0.00 O ATOM 0 H GLU A 52 -5.799 4.993 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.359 2.464 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.986 4.116 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.715 2.430 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.633 2.777 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.029 4.440 -9.659 1.00 0.00 H new ATOM 855 N CYS A 53 -5.590 2.474 -5.147 1.00 0.00 N ATOM 856 CA CYS A 53 -5.626 1.732 -3.904 1.00 0.00 C ATOM 857 C CYS A 53 -7.079 1.365 -3.623 1.00 0.00 C ATOM 858 O CYS A 53 -7.417 0.188 -3.489 1.00 0.00 O ATOM 859 CB CYS A 53 -5.089 2.635 -2.798 1.00 0.00 C ATOM 860 SG CYS A 53 -4.710 1.857 -1.211 1.00 0.00 S ATOM 0 H CYS A 53 -5.356 3.458 -5.012 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.022 0.826 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.182 3.116 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.819 3.425 -2.622 1.00 0.00 H new ATOM 865 N ARG A 54 -7.934 2.402 -3.577 1.00 0.00 N ATOM 866 CA ARG A 54 -9.356 2.227 -3.306 1.00 0.00 C ATOM 867 C ARG A 54 -10.092 1.364 -4.355 1.00 0.00 C ATOM 868 O ARG A 54 -11.122 0.792 -4.001 1.00 0.00 O ATOM 869 CB ARG A 54 -10.037 3.589 -3.116 1.00 0.00 C ATOM 870 CG ARG A 54 -9.579 4.291 -1.820 1.00 0.00 C ATOM 871 CD ARG A 54 -10.548 5.411 -1.425 1.00 0.00 C ATOM 872 NE ARG A 54 -10.304 6.627 -2.214 1.00 0.00 N ATOM 873 CZ ARG A 54 -10.870 7.827 -1.998 1.00 0.00 C ATOM 874 NH1 ARG A 54 -11.786 8.002 -1.032 1.00 0.00 N ATOM 875 NH2 ARG A 54 -10.511 8.868 -2.763 1.00 0.00 N ATOM 0 H ARG A 54 -7.654 3.372 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.425 1.663 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.815 4.227 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.118 3.453 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.513 3.562 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.580 4.703 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.575 5.077 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.437 5.634 -0.364 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.649 6.554 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.065 7.216 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.203 8.921 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.816 8.744 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.933 9.784 -2.609 1.00 0.00 H new ATOM 889 N ARG A 55 -9.617 1.238 -5.612 1.00 0.00 N ATOM 890 CA ARG A 55 -10.260 0.404 -6.633 1.00 0.00 C ATOM 891 C ARG A 55 -10.603 -1.012 -6.137 1.00 0.00 C ATOM 892 O ARG A 55 -11.655 -1.558 -6.465 1.00 0.00 O ATOM 893 CB ARG A 55 -9.289 0.233 -7.811 1.00 0.00 C ATOM 894 CG ARG A 55 -9.207 1.485 -8.691 1.00 0.00 C ATOM 895 CD ARG A 55 -8.369 1.233 -9.950 1.00 0.00 C ATOM 896 NE ARG A 55 -8.084 2.493 -10.654 1.00 0.00 N ATOM 897 CZ ARG A 55 -7.177 2.658 -11.634 1.00 0.00 C ATOM 898 NH1 ARG A 55 -6.474 1.621 -12.116 1.00 0.00 N ATOM 899 NH2 ARG A 55 -6.970 3.884 -12.137 1.00 0.00 N ATOM 0 H ARG A 55 -8.777 1.714 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.186 0.909 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.296 -0.003 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.606 -0.614 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.212 1.796 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.770 2.304 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.433 0.745 -9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.901 0.553 -10.615 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.621 3.314 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.622 0.685 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.791 1.769 -12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.498 4.679 -11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.285 4.021 -12.880 1.00 0.00 H new ATOM 913 N THR A 56 -9.674 -1.585 -5.367 1.00 0.00 N ATOM 914 CA THR A 56 -9.697 -2.922 -4.792 1.00 0.00 C ATOM 915 C THR A 56 -9.944 -2.871 -3.283 1.00 0.00 C ATOM 916 O THR A 56 -10.834 -3.565 -2.798 1.00 0.00 O ATOM 917 CB THR A 56 -8.344 -3.609 -5.100 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.148 -3.681 -6.501 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.256 -5.038 -4.538 1.00 0.00 C ATOM 0 H THR A 56 -8.823 -1.083 -5.113 1.00 0.00 H new ATOM 0 HA THR A 56 -10.515 -3.493 -5.233 1.00 0.00 H new ATOM 0 HB THR A 56 -7.577 -3.002 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.290 -4.115 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.285 -5.467 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.375 -5.011 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.045 -5.650 -4.975 1.00 0.00 H new ATOM 927 N CYS A 57 -9.188 -2.052 -2.534 1.00 0.00 N ATOM 928 CA CYS A 57 -9.266 -1.934 -1.097 1.00 0.00 C ATOM 929 C CYS A 57 -10.610 -1.414 -0.617 1.00 0.00 C ATOM 930 O CYS A 57 -11.021 -1.746 0.495 1.00 0.00 O ATOM 931 CB CYS A 57 -8.094 -1.066 -0.639 1.00 0.00 C ATOM 932 SG CYS A 57 -6.421 -1.673 -1.037 1.00 0.00 S ATOM 0 H CYS A 57 -8.484 -1.437 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.189 -2.922 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.211 -0.076 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.163 -0.943 0.442 1.00 0.00 H new ATOM 937 N ILE A 58 -11.276 -0.618 -1.460 1.00 0.00 N ATOM 938 CA ILE A 58 -12.608 -0.079 -1.169 1.00 0.00 C ATOM 939 C ILE A 58 -13.676 -0.718 -2.077 1.00 0.00 C ATOM 940 O ILE A 58 -14.863 -0.674 -1.757 1.00 0.00 O ATOM 941 CB ILE A 58 -12.667 1.458 -1.188 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.544 2.091 -0.354 1.00 0.00 C ATOM 943 CG2 ILE A 58 -13.997 1.958 -0.596 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.537 1.799 1.136 1.00 0.00 C ATOM 0 H ILE A 58 -10.905 -0.329 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.836 -0.358 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.562 1.749 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.590 1.762 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.593 3.172 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.019 3.048 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.827 1.566 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.088 1.615 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.693 2.307 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.466 2.156 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.447 0.725 1.296 1.00 0.00 H new ATOM 956 N ARG A 59 -13.247 -1.329 -3.190 1.00 0.00 N ATOM 957 CA ARG A 59 -14.056 -2.009 -4.197 1.00 0.00 C ATOM 958 C ARG A 59 -14.692 -0.979 -5.152 1.00 0.00 C ATOM 959 O ARG A 59 -14.169 0.125 -5.315 1.00 0.00 O ATOM 960 CB ARG A 59 -15.073 -2.958 -3.518 1.00 0.00 C ATOM 961 CG ARG A 59 -15.208 -4.262 -4.314 1.00 0.00 C ATOM 962 CD ARG A 59 -16.218 -5.200 -3.651 1.00 0.00 C ATOM 963 NE ARG A 59 -16.263 -6.499 -4.341 1.00 0.00 N ATOM 964 CZ ARG A 59 -16.369 -7.714 -3.770 1.00 0.00 C ATOM 965 NH1 ARG A 59 -16.510 -7.865 -2.443 1.00 0.00 N ATOM 966 NH2 ARG A 59 -16.328 -8.805 -4.548 1.00 0.00 N ATOM 0 H ARG A 59 -12.254 -1.360 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.426 -2.645 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.750 -3.178 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.044 -2.468 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.525 -4.040 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.238 -4.754 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.949 -5.349 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.207 -4.743 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.208 -6.477 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.539 -7.045 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.588 -8.799 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.218 -8.708 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.407 -9.732 -4.131 1.00 0.00 H new ATOM 980 N LYS A 60 -15.813 -1.340 -5.796 1.00 0.00 N ATOM 981 CA LYS A 60 -16.544 -0.495 -6.735 1.00 0.00 C ATOM 982 C LYS A 60 -17.410 0.496 -5.947 1.00 0.00 C ATOM 983 O LYS A 60 -17.066 1.699 -5.967 1.00 0.00 O ATOM 984 CB LYS A 60 -17.398 -1.373 -7.670 1.00 0.00 C ATOM 985 CG LYS A 60 -16.532 -2.281 -8.561 1.00 0.00 C ATOM 986 CD LYS A 60 -17.369 -3.211 -9.455 1.00 0.00 C ATOM 987 CE LYS A 60 -18.146 -2.452 -10.542 1.00 0.00 C ATOM 988 NZ LYS A 60 -18.857 -3.375 -11.443 1.00 0.00 N ATOM 989 OXT LYS A 60 -18.396 0.038 -5.327 1.00 0.00 O ATOM 0 H LYS A 60 -16.243 -2.256 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.848 0.071 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -18.073 -1.987 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -18.019 -0.735 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.891 -1.662 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.877 -2.883 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.712 -3.941 -9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.071 -3.768 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.861 -1.776 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.457 -1.836 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.371 -2.829 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.171 -4.004 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.532 -3.945 -10.894 1.00 0.00 H new TER 1003 LYS A 60