USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 CYS SG : rot 120:sc= 0.957 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0517 (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 LYS NZ :NH3+ -125:sc= -0.0463 (180deg=-0.847) USER MOD Single : A 10 GLN : amide:sc=-0.000692 X(o=-0.00069,f=-0.31) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.52) USER MOD Single : A 18 SER OG : rot 23:sc= 0.377 USER MOD Single : A 19 GLN : amide:sc= 0.0164 K(o=0.016,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -1.05 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -150:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= -0.519 (180deg=-3.14!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -119:sc= -1.23 (180deg=-4.07) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= -0.115 (180deg=-0.523) USER MOD Single : A 49 SER OG : rot -48:sc= 0.717 USER MOD Single : A 51 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-1.2) USER MOD Single : A 56 ASN : amide:sc= -0.505 K(o=-0.51,f=-4.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.019) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.15 (180deg=-0.706) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -63:sc= 0.531 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 71 SER OG : rot -53:sc= 0.335 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.108 -15.187 -20.464 1.00 0.00 N ATOM 2 CA GLY A 1 12.294 -15.193 -19.263 1.00 0.00 C ATOM 3 C GLY A 1 10.826 -15.426 -19.559 1.00 0.00 C ATOM 4 O GLY A 1 10.378 -15.251 -20.692 1.00 0.00 O ATOM 0 H1 GLY A 1 13.740 -16.013 -20.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.492 -15.228 -21.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.676 -14.316 -20.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.653 -15.970 -18.588 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.410 -14.241 -18.744 1.00 0.00 H new ATOM 8 N SER A 2 10.074 -15.825 -18.537 1.00 0.00 N ATOM 9 CA SER A 2 8.649 -16.089 -18.694 1.00 0.00 C ATOM 10 C SER A 2 7.881 -15.690 -17.438 1.00 0.00 C ATOM 11 O SER A 2 8.475 -15.381 -16.406 1.00 0.00 O ATOM 12 CB SER A 2 8.413 -17.569 -19.002 1.00 0.00 C ATOM 13 OG SER A 2 8.889 -18.390 -17.950 1.00 0.00 O ATOM 0 H SER A 2 10.429 -15.972 -17.592 1.00 0.00 H new ATOM 0 HA SER A 2 8.284 -15.490 -19.528 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.348 -17.747 -19.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.916 -17.835 -19.932 1.00 0.00 H new ATOM 0 HG SER A 2 8.725 -19.331 -18.170 1.00 0.00 H new ATOM 19 N SER A 3 6.555 -15.700 -17.534 1.00 0.00 N ATOM 20 CA SER A 3 5.704 -15.336 -16.407 1.00 0.00 C ATOM 21 C SER A 3 4.484 -16.249 -16.330 1.00 0.00 C ATOM 22 O SER A 3 4.268 -17.090 -17.202 1.00 0.00 O ATOM 23 CB SER A 3 5.257 -13.878 -16.529 1.00 0.00 C ATOM 24 OG SER A 3 4.963 -13.327 -15.257 1.00 0.00 O ATOM 0 H SER A 3 6.047 -15.956 -18.381 1.00 0.00 H new ATOM 0 HA SER A 3 6.284 -15.456 -15.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.041 -13.293 -17.010 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.376 -13.817 -17.168 1.00 0.00 H new ATOM 0 HG SER A 3 4.681 -12.394 -15.362 1.00 0.00 H new ATOM 30 N GLY A 4 3.689 -16.077 -15.279 1.00 0.00 N ATOM 31 CA GLY A 4 2.501 -16.891 -15.106 1.00 0.00 C ATOM 32 C GLY A 4 1.222 -16.106 -15.323 1.00 0.00 C ATOM 33 O GLY A 4 0.459 -16.392 -16.246 1.00 0.00 O ATOM 0 H GLY A 4 3.847 -15.388 -14.544 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.533 -17.727 -15.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.498 -17.314 -14.102 1.00 0.00 H new ATOM 37 N SER A 5 0.987 -15.114 -14.470 1.00 0.00 N ATOM 38 CA SER A 5 -0.211 -14.289 -14.570 1.00 0.00 C ATOM 39 C SER A 5 -1.469 -15.133 -14.393 1.00 0.00 C ATOM 40 O SER A 5 -2.459 -14.948 -15.102 1.00 0.00 O ATOM 41 CB SER A 5 -0.250 -13.571 -15.921 1.00 0.00 C ATOM 42 OG SER A 5 0.547 -12.400 -15.899 1.00 0.00 O ATOM 0 H SER A 5 1.610 -14.862 -13.703 1.00 0.00 H new ATOM 0 HA SER A 5 -0.178 -13.547 -13.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.105 -14.242 -16.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.279 -13.310 -16.168 1.00 0.00 H new ATOM 0 HG SER A 5 0.507 -11.960 -16.774 1.00 0.00 H new ATOM 48 N SER A 6 -1.423 -16.061 -13.442 1.00 0.00 N ATOM 49 CA SER A 6 -2.556 -16.937 -13.174 1.00 0.00 C ATOM 50 C SER A 6 -3.610 -16.221 -12.334 1.00 0.00 C ATOM 51 O SER A 6 -3.333 -15.195 -11.714 1.00 0.00 O ATOM 52 CB SER A 6 -2.090 -18.204 -12.454 1.00 0.00 C ATOM 53 OG SER A 6 -2.930 -19.304 -12.761 1.00 0.00 O ATOM 0 H SER A 6 -0.613 -16.225 -12.845 1.00 0.00 H new ATOM 0 HA SER A 6 -3.003 -17.213 -14.129 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.064 -18.434 -12.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.087 -18.034 -11.377 1.00 0.00 H new ATOM 0 HG SER A 6 -2.610 -20.102 -12.290 1.00 0.00 H new ATOM 59 N GLY A 7 -4.821 -16.771 -12.320 1.00 0.00 N ATOM 60 CA GLY A 7 -5.898 -16.172 -11.554 1.00 0.00 C ATOM 61 C GLY A 7 -7.119 -17.067 -11.473 1.00 0.00 C ATOM 62 O GLY A 7 -7.539 -17.460 -10.385 1.00 0.00 O ATOM 0 H GLY A 7 -5.075 -17.620 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.545 -15.952 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.178 -15.221 -12.008 1.00 0.00 H new ATOM 66 N LYS A 8 -7.692 -17.389 -12.628 1.00 0.00 N ATOM 67 CA LYS A 8 -8.872 -18.243 -12.685 1.00 0.00 C ATOM 68 C LYS A 8 -9.886 -17.842 -11.617 1.00 0.00 C ATOM 69 O LYS A 8 -10.479 -18.697 -10.960 1.00 0.00 O ATOM 70 CB LYS A 8 -8.475 -19.710 -12.501 1.00 0.00 C ATOM 71 CG LYS A 8 -9.424 -20.685 -13.176 1.00 0.00 C ATOM 72 CD LYS A 8 -8.757 -22.028 -13.427 1.00 0.00 C ATOM 73 CE LYS A 8 -8.612 -22.827 -12.142 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.355 -22.489 -11.418 1.00 0.00 N ATOM 0 H LYS A 8 -7.358 -17.071 -13.538 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.333 -18.118 -13.665 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.471 -19.859 -12.898 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.433 -19.936 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.306 -20.827 -12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.767 -20.265 -14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.344 -22.598 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.774 -21.870 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.467 -22.633 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.623 -23.892 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.807 -23.357 -11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.791 -21.830 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.588 -22.044 -10.507 1.00 0.00 H new ATOM 88 N ARG A 9 -10.080 -16.538 -11.452 1.00 0.00 N ATOM 89 CA ARG A 9 -11.022 -16.024 -10.465 1.00 0.00 C ATOM 90 C ARG A 9 -11.417 -14.586 -10.788 1.00 0.00 C ATOM 91 O ARG A 9 -10.656 -13.849 -11.413 1.00 0.00 O ATOM 92 CB ARG A 9 -10.414 -16.095 -9.063 1.00 0.00 C ATOM 93 CG ARG A 9 -9.256 -15.132 -8.853 1.00 0.00 C ATOM 94 CD ARG A 9 -8.860 -15.051 -7.387 1.00 0.00 C ATOM 95 NE ARG A 9 -8.074 -13.854 -7.098 1.00 0.00 N ATOM 96 CZ ARG A 9 -7.999 -13.296 -5.895 1.00 0.00 C ATOM 97 NH1 ARG A 9 -8.659 -13.825 -4.873 1.00 0.00 N ATOM 98 NH2 ARG A 9 -7.263 -12.208 -5.711 1.00 0.00 N ATOM 0 H ARG A 9 -9.597 -15.818 -11.989 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.918 -16.644 -10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.190 -15.882 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.069 -17.112 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.400 -15.455 -9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.535 -14.141 -9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.757 -15.054 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.284 -15.937 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.554 -13.423 -7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.226 -14.662 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.600 -13.395 -3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.753 -11.799 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.207 -11.781 -4.786 1.00 0.00 H new ATOM 112 N GLN A 10 -12.613 -14.197 -10.358 1.00 0.00 N ATOM 113 CA GLN A 10 -13.110 -12.848 -10.603 1.00 0.00 C ATOM 114 C GLN A 10 -13.775 -12.278 -9.354 1.00 0.00 C ATOM 115 O GLN A 10 -14.243 -13.022 -8.492 1.00 0.00 O ATOM 116 CB GLN A 10 -14.102 -12.850 -11.767 1.00 0.00 C ATOM 117 CG GLN A 10 -13.437 -12.934 -13.132 1.00 0.00 C ATOM 118 CD GLN A 10 -14.421 -13.249 -14.241 1.00 0.00 C ATOM 119 OE1 GLN A 10 -15.251 -14.150 -14.114 1.00 0.00 O ATOM 120 NE2 GLN A 10 -14.334 -12.506 -15.339 1.00 0.00 N ATOM 0 H GLN A 10 -13.255 -14.796 -9.839 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.260 -12.216 -10.861 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.784 -13.693 -11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.705 -11.943 -11.721 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.941 -11.988 -13.349 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.663 -13.702 -13.109 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.631 -11.770 -15.402 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.970 -12.672 -16.119 1.00 0.00 H new ATOM 129 N LYS A 11 -13.813 -10.953 -9.263 1.00 0.00 N ATOM 130 CA LYS A 11 -14.421 -10.281 -8.120 1.00 0.00 C ATOM 131 C LYS A 11 -15.206 -9.052 -8.566 1.00 0.00 C ATOM 132 O LYS A 11 -14.834 -8.382 -9.530 1.00 0.00 O ATOM 133 CB LYS A 11 -13.346 -9.874 -7.110 1.00 0.00 C ATOM 134 CG LYS A 11 -12.715 -11.050 -6.386 1.00 0.00 C ATOM 135 CD LYS A 11 -12.019 -10.611 -5.108 1.00 0.00 C ATOM 136 CE LYS A 11 -10.609 -10.112 -5.385 1.00 0.00 C ATOM 137 NZ LYS A 11 -9.737 -10.221 -4.183 1.00 0.00 N ATOM 0 H LYS A 11 -13.430 -10.323 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.111 -10.979 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.566 -9.316 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.786 -9.200 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.483 -11.786 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.996 -11.539 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.598 -9.821 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.980 -11.446 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.174 -10.687 -6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.649 -9.073 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.785 -9.871 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.138 -9.652 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.678 -11.216 -3.886 1.00 0.00 H new ATOM 151 N ILE A 12 -16.292 -8.760 -7.859 1.00 0.00 N ATOM 152 CA ILE A 12 -17.128 -7.610 -8.181 1.00 0.00 C ATOM 153 C ILE A 12 -16.943 -6.493 -7.159 1.00 0.00 C ATOM 154 O ILE A 12 -17.672 -6.415 -6.170 1.00 0.00 O ATOM 155 CB ILE A 12 -18.618 -7.995 -8.240 1.00 0.00 C ATOM 156 CG1 ILE A 12 -19.483 -6.746 -8.420 1.00 0.00 C ATOM 157 CG2 ILE A 12 -19.020 -8.749 -6.982 1.00 0.00 C ATOM 158 CD1 ILE A 12 -19.426 -6.167 -9.816 1.00 0.00 C ATOM 0 H ILE A 12 -16.614 -9.304 -7.059 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.814 -7.257 -9.163 1.00 0.00 H new ATOM 0 HB ILE A 12 -18.776 -8.649 -9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.517 -6.993 -8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -19.163 -5.986 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -20.076 -9.014 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -18.422 -9.656 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -18.851 -8.118 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.063 -5.284 -9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -18.399 -5.889 -10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.775 -6.910 -10.533 1.00 0.00 H new ATOM 170 N HIS A 13 -15.964 -5.629 -7.405 1.00 0.00 N ATOM 171 CA HIS A 13 -15.685 -4.513 -6.508 1.00 0.00 C ATOM 172 C HIS A 13 -16.226 -3.207 -7.080 1.00 0.00 C ATOM 173 O HIS A 13 -15.896 -2.825 -8.203 1.00 0.00 O ATOM 174 CB HIS A 13 -14.180 -4.392 -6.264 1.00 0.00 C ATOM 175 CG HIS A 13 -13.413 -3.938 -7.468 1.00 0.00 C ATOM 176 ND1 HIS A 13 -13.034 -2.627 -7.668 1.00 0.00 N ATOM 177 CD2 HIS A 13 -12.953 -4.628 -8.537 1.00 0.00 C ATOM 178 CE1 HIS A 13 -12.375 -2.531 -8.809 1.00 0.00 C ATOM 179 NE2 HIS A 13 -12.311 -3.732 -9.356 1.00 0.00 N ATOM 0 H HIS A 13 -15.350 -5.680 -8.218 1.00 0.00 H new ATOM 0 HA HIS A 13 -16.185 -4.708 -5.559 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.008 -3.690 -5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.794 -5.359 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.069 -5.687 -8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.959 -1.625 -9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.859 -3.957 -10.242 1.00 0.00 H new ATOM 187 N LEU A 14 -17.060 -2.526 -6.301 1.00 0.00 N ATOM 188 CA LEU A 14 -17.648 -1.262 -6.730 1.00 0.00 C ATOM 189 C LEU A 14 -16.775 -0.085 -6.310 1.00 0.00 C ATOM 190 O LEU A 14 -16.354 0.717 -7.143 1.00 0.00 O ATOM 191 CB LEU A 14 -19.052 -1.106 -6.142 1.00 0.00 C ATOM 192 CG LEU A 14 -20.039 -2.232 -6.452 1.00 0.00 C ATOM 193 CD1 LEU A 14 -19.876 -3.373 -5.460 1.00 0.00 C ATOM 194 CD2 LEU A 14 -21.468 -1.708 -6.436 1.00 0.00 C ATOM 0 H LEU A 14 -17.344 -2.828 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.714 -1.271 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.963 -1.016 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.474 -0.169 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.824 -2.613 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -20.587 -4.165 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -18.861 -3.766 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.063 -3.007 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.157 -2.523 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.695 -1.300 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.577 -0.925 -7.187 1.00 0.00 H new ATOM 206 N GLY A 15 -16.504 0.012 -5.012 1.00 0.00 N ATOM 207 CA GLY A 15 -15.680 1.093 -4.504 1.00 0.00 C ATOM 208 C GLY A 15 -15.969 2.414 -5.191 1.00 0.00 C ATOM 209 O GLY A 15 -15.365 2.734 -6.214 1.00 0.00 O ATOM 0 H GLY A 15 -16.841 -0.639 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.847 1.200 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.629 0.839 -4.639 1.00 0.00 H new ATOM 213 N ASP A 16 -16.896 3.181 -4.628 1.00 0.00 N ATOM 214 CA ASP A 16 -17.265 4.473 -5.192 1.00 0.00 C ATOM 215 C ASP A 16 -16.027 5.246 -5.635 1.00 0.00 C ATOM 216 O ASP A 16 -15.930 5.679 -6.784 1.00 0.00 O ATOM 217 CB ASP A 16 -18.055 5.293 -4.171 1.00 0.00 C ATOM 218 CG ASP A 16 -19.432 4.717 -3.907 1.00 0.00 C ATOM 219 OD1 ASP A 16 -20.215 4.587 -4.871 1.00 0.00 O ATOM 220 OD2 ASP A 16 -19.728 4.398 -2.736 1.00 0.00 O ATOM 0 H ASP A 16 -17.406 2.930 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.892 4.294 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.497 5.337 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.156 6.317 -4.531 1.00 0.00 H new ATOM 225 N ARG A 17 -15.082 5.417 -4.716 1.00 0.00 N ATOM 226 CA ARG A 17 -13.851 6.140 -5.011 1.00 0.00 C ATOM 227 C ARG A 17 -12.630 5.257 -4.767 1.00 0.00 C ATOM 228 O ARG A 17 -11.858 5.492 -3.838 1.00 0.00 O ATOM 229 CB ARG A 17 -13.758 7.404 -4.155 1.00 0.00 C ATOM 230 CG ARG A 17 -14.944 8.340 -4.320 1.00 0.00 C ATOM 231 CD ARG A 17 -16.051 8.019 -3.327 1.00 0.00 C ATOM 232 NE ARG A 17 -17.158 8.967 -3.416 1.00 0.00 N ATOM 233 CZ ARG A 17 -18.002 9.206 -2.418 1.00 0.00 C ATOM 234 NH1 ARG A 17 -17.866 8.569 -1.263 1.00 0.00 N ATOM 235 NH2 ARG A 17 -18.985 10.084 -2.575 1.00 0.00 N ATOM 0 H ARG A 17 -15.146 5.065 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.870 6.423 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.675 7.117 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.844 7.940 -4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.617 9.371 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.331 8.262 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.422 7.011 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.645 8.030 -2.316 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.291 9.473 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.112 7.893 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.515 8.755 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.093 10.576 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.633 10.267 -1.808 1.00 0.00 H new ATOM 249 N SER A 18 -12.464 4.241 -5.608 1.00 0.00 N ATOM 250 CA SER A 18 -11.340 3.320 -5.481 1.00 0.00 C ATOM 251 C SER A 18 -10.600 3.181 -6.808 1.00 0.00 C ATOM 252 O SER A 18 -11.205 2.896 -7.841 1.00 0.00 O ATOM 253 CB SER A 18 -11.828 1.949 -5.009 1.00 0.00 C ATOM 254 OG SER A 18 -12.608 1.314 -6.008 1.00 0.00 O ATOM 0 H SER A 18 -13.093 4.035 -6.384 1.00 0.00 H new ATOM 0 HA SER A 18 -10.650 3.726 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.973 1.322 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.418 2.063 -4.100 1.00 0.00 H new ATOM 0 HG SER A 18 -12.382 1.687 -6.886 1.00 0.00 H new ATOM 260 N GLN A 19 -9.287 3.383 -6.769 1.00 0.00 N ATOM 261 CA GLN A 19 -8.463 3.280 -7.968 1.00 0.00 C ATOM 262 C GLN A 19 -7.541 2.068 -7.894 1.00 0.00 C ATOM 263 O GLN A 19 -6.993 1.755 -6.837 1.00 0.00 O ATOM 264 CB GLN A 19 -7.636 4.554 -8.155 1.00 0.00 C ATOM 265 CG GLN A 19 -6.780 4.544 -9.411 1.00 0.00 C ATOM 266 CD GLN A 19 -7.606 4.527 -10.681 1.00 0.00 C ATOM 267 OE1 GLN A 19 -8.114 3.483 -11.091 1.00 0.00 O ATOM 268 NE2 GLN A 19 -7.747 5.687 -11.312 1.00 0.00 N ATOM 0 H GLN A 19 -8.771 3.619 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.126 3.156 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.308 5.412 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.991 4.689 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.135 5.423 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.128 3.671 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.309 6.528 -10.937 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.294 5.737 -12.172 1.00 0.00 H new ATOM 277 N LYS A 20 -7.375 1.387 -9.023 1.00 0.00 N ATOM 278 CA LYS A 20 -6.520 0.208 -9.087 1.00 0.00 C ATOM 279 C LYS A 20 -5.090 0.593 -9.454 1.00 0.00 C ATOM 280 O LYS A 20 -4.810 0.963 -10.595 1.00 0.00 O ATOM 281 CB LYS A 20 -7.068 -0.791 -10.108 1.00 0.00 C ATOM 282 CG LYS A 20 -6.259 -2.073 -10.200 1.00 0.00 C ATOM 283 CD LYS A 20 -6.702 -2.929 -11.374 1.00 0.00 C ATOM 284 CE LYS A 20 -5.896 -4.216 -11.461 1.00 0.00 C ATOM 285 NZ LYS A 20 -5.971 -4.827 -12.818 1.00 0.00 N ATOM 0 H LYS A 20 -7.822 1.632 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.512 -0.258 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.097 -1.039 -9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.095 -0.317 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.202 -1.830 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.366 -2.639 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.761 -3.168 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.590 -2.365 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.855 -4.010 -11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.266 -4.927 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.409 -5.702 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.962 -5.047 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.595 -4.159 -13.521 1.00 0.00 H new ATOM 299 N CYS A 21 -4.189 0.503 -8.482 1.00 0.00 N ATOM 300 CA CYS A 21 -2.788 0.840 -8.703 1.00 0.00 C ATOM 301 C CYS A 21 -2.257 0.161 -9.962 1.00 0.00 C ATOM 302 O CYS A 21 -2.737 -0.902 -10.356 1.00 0.00 O ATOM 303 CB CYS A 21 -1.946 0.429 -7.494 1.00 0.00 C ATOM 304 SG CYS A 21 -0.166 0.768 -7.678 1.00 0.00 S ATOM 0 H CYS A 21 -4.404 0.199 -7.532 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.717 1.919 -8.837 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.315 0.953 -6.612 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.085 -0.637 -7.313 1.00 0.00 H new ATOM 309 N SER A 22 -1.262 0.781 -10.588 1.00 0.00 N ATOM 310 CA SER A 22 -0.667 0.239 -11.804 1.00 0.00 C ATOM 311 C SER A 22 0.706 -0.361 -11.516 1.00 0.00 C ATOM 312 O SER A 22 1.152 -1.280 -12.203 1.00 0.00 O ATOM 313 CB SER A 22 -0.546 1.330 -12.868 1.00 0.00 C ATOM 314 OG SER A 22 -1.823 1.723 -13.343 1.00 0.00 O ATOM 0 H SER A 22 -0.851 1.660 -10.273 1.00 0.00 H new ATOM 0 HA SER A 22 -1.319 -0.551 -12.177 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.028 2.194 -12.451 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.059 0.967 -13.699 1.00 0.00 H new ATOM 0 HG SER A 22 -1.719 2.423 -14.021 1.00 0.00 H new ATOM 320 N LYS A 23 1.372 0.166 -10.494 1.00 0.00 N ATOM 321 CA LYS A 23 2.694 -0.316 -10.112 1.00 0.00 C ATOM 322 C LYS A 23 2.625 -1.755 -9.612 1.00 0.00 C ATOM 323 O LYS A 23 3.346 -2.627 -10.098 1.00 0.00 O ATOM 324 CB LYS A 23 3.294 0.584 -9.029 1.00 0.00 C ATOM 325 CG LYS A 23 4.530 -0.002 -8.368 1.00 0.00 C ATOM 326 CD LYS A 23 5.768 0.194 -9.228 1.00 0.00 C ATOM 327 CE LYS A 23 5.995 -0.989 -10.156 1.00 0.00 C ATOM 328 NZ LYS A 23 6.993 -0.678 -11.217 1.00 0.00 N ATOM 0 H LYS A 23 1.018 0.927 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 23 3.333 -0.287 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.550 1.548 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.539 0.773 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.682 0.469 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.377 -1.066 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.662 1.105 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.640 0.328 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.337 -1.846 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.050 -1.274 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.120 -1.509 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.655 0.123 -11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.902 -0.430 -10.777 1.00 0.00 H new ATOM 342 N CYS A 24 1.753 -1.997 -8.640 1.00 0.00 N ATOM 343 CA CYS A 24 1.588 -3.331 -8.074 1.00 0.00 C ATOM 344 C CYS A 24 0.264 -3.949 -8.515 1.00 0.00 C ATOM 345 O CYS A 24 0.210 -5.115 -8.903 1.00 0.00 O ATOM 346 CB CYS A 24 1.652 -3.272 -6.547 1.00 0.00 C ATOM 347 SG CYS A 24 0.165 -2.565 -5.767 1.00 0.00 S ATOM 0 H CYS A 24 1.149 -1.286 -8.227 1.00 0.00 H new ATOM 0 HA CYS A 24 2.401 -3.957 -8.441 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.807 -4.280 -6.161 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.519 -2.681 -6.253 1.00 0.00 H new ATOM 352 N GLY A 25 -0.802 -3.158 -8.452 1.00 0.00 N ATOM 353 CA GLY A 25 -2.111 -3.644 -8.848 1.00 0.00 C ATOM 354 C GLY A 25 -3.024 -3.883 -7.661 1.00 0.00 C ATOM 355 O GLY A 25 -3.871 -4.776 -7.692 1.00 0.00 O ATOM 0 H GLY A 25 -0.783 -2.189 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.575 -2.922 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.997 -4.573 -9.407 1.00 0.00 H new ATOM 359 N ILE A 26 -2.850 -3.085 -6.613 1.00 0.00 N ATOM 360 CA ILE A 26 -3.665 -3.215 -5.411 1.00 0.00 C ATOM 361 C ILE A 26 -4.795 -2.191 -5.400 1.00 0.00 C ATOM 362 O ILE A 26 -4.726 -1.169 -6.082 1.00 0.00 O ATOM 363 CB ILE A 26 -2.818 -3.043 -4.136 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.574 -3.582 -2.920 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.454 -1.580 -3.936 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.784 -3.499 -1.632 1.00 0.00 C ATOM 0 H ILE A 26 -2.152 -2.342 -6.572 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.089 -4.219 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.896 -3.614 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.503 -3.024 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.847 -4.621 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.856 -1.474 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.881 -1.227 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.364 -0.988 -3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.381 -3.898 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.867 -4.080 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.534 -2.458 -1.425 1.00 0.00 H new ATOM 378 N ILE A 27 -5.832 -2.473 -4.619 1.00 0.00 N ATOM 379 CA ILE A 27 -6.976 -1.575 -4.516 1.00 0.00 C ATOM 380 C ILE A 27 -6.813 -0.609 -3.347 1.00 0.00 C ATOM 381 O ILE A 27 -6.613 -1.027 -2.206 1.00 0.00 O ATOM 382 CB ILE A 27 -8.292 -2.357 -4.342 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.508 -3.303 -5.525 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.464 -1.397 -4.203 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.650 -2.589 -6.852 1.00 0.00 C ATOM 0 H ILE A 27 -5.904 -3.316 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.019 -1.011 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.226 -2.953 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.669 -3.997 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.403 -3.899 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.387 -1.964 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.311 -0.760 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.535 -0.777 -5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.800 -3.322 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.506 -1.916 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.746 -2.015 -7.055 1.00 0.00 H new ATOM 397 N PHE A 28 -6.903 0.684 -3.638 1.00 0.00 N ATOM 398 CA PHE A 28 -6.767 1.710 -2.611 1.00 0.00 C ATOM 399 C PHE A 28 -7.711 2.878 -2.881 1.00 0.00 C ATOM 400 O PHE A 28 -8.049 3.164 -4.030 1.00 0.00 O ATOM 401 CB PHE A 28 -5.323 2.211 -2.549 1.00 0.00 C ATOM 402 CG PHE A 28 -4.927 3.049 -3.732 1.00 0.00 C ATOM 403 CD1 PHE A 28 -5.274 4.389 -3.795 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.209 2.496 -4.780 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.912 5.161 -4.883 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.844 3.264 -5.870 1.00 0.00 C ATOM 407 CZ PHE A 28 -4.195 4.598 -5.920 1.00 0.00 C ATOM 0 H PHE A 28 -7.070 1.046 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.032 1.266 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.188 2.795 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.652 1.354 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.833 4.835 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.931 1.453 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.190 6.204 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.285 2.821 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.909 5.201 -6.769 1.00 0.00 H new ATOM 417 N ILE A 29 -8.133 3.549 -1.814 1.00 0.00 N ATOM 418 CA ILE A 29 -9.037 4.686 -1.935 1.00 0.00 C ATOM 419 C ILE A 29 -8.273 5.963 -2.268 1.00 0.00 C ATOM 420 O ILE A 29 -7.349 6.349 -1.553 1.00 0.00 O ATOM 421 CB ILE A 29 -9.842 4.905 -0.641 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.597 3.629 -0.261 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.809 6.068 -0.809 1.00 0.00 C ATOM 424 CD1 ILE A 29 -11.694 3.263 -1.236 1.00 0.00 C ATOM 0 H ILE A 29 -7.863 3.325 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.726 4.456 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.148 5.147 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.889 2.803 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.031 3.755 0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.371 6.210 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.250 6.976 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.499 5.852 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.186 2.349 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.424 4.071 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.264 3.105 -2.225 1.00 0.00 H new ATOM 436 N ARG A 30 -8.667 6.615 -3.357 1.00 0.00 N ATOM 437 CA ARG A 30 -8.020 7.849 -3.784 1.00 0.00 C ATOM 438 C ARG A 30 -8.913 9.055 -3.507 1.00 0.00 C ATOM 439 O ARG A 30 -10.120 9.013 -3.744 1.00 0.00 O ATOM 440 CB ARG A 30 -7.682 7.783 -5.275 1.00 0.00 C ATOM 441 CG ARG A 30 -8.895 7.570 -6.166 1.00 0.00 C ATOM 442 CD ARG A 30 -9.512 8.892 -6.593 1.00 0.00 C ATOM 443 NE ARG A 30 -8.891 9.419 -7.806 1.00 0.00 N ATOM 444 CZ ARG A 30 -9.499 10.258 -8.637 1.00 0.00 C ATOM 445 NH1 ARG A 30 -10.735 10.665 -8.387 1.00 0.00 N ATOM 446 NH2 ARG A 30 -8.868 10.694 -9.720 1.00 0.00 N ATOM 0 H ARG A 30 -9.431 6.309 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.098 7.963 -3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.185 8.708 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.972 6.973 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.604 7.001 -7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.638 6.975 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.580 8.756 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.407 9.618 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.939 9.127 -8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.222 10.334 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.199 11.309 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.916 10.385 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.335 11.338 -10.358 1.00 0.00 H new ATOM 460 N ARG A 31 -8.311 10.128 -3.004 1.00 0.00 N ATOM 461 CA ARG A 31 -9.051 11.345 -2.693 1.00 0.00 C ATOM 462 C ARG A 31 -8.317 12.576 -3.216 1.00 0.00 C ATOM 463 O ARG A 31 -8.810 13.277 -4.099 1.00 0.00 O ATOM 464 CB ARG A 31 -9.263 11.466 -1.183 1.00 0.00 C ATOM 465 CG ARG A 31 -10.152 12.633 -0.785 1.00 0.00 C ATOM 466 CD ARG A 31 -9.342 13.901 -0.565 1.00 0.00 C ATOM 467 NE ARG A 31 -8.674 13.905 0.734 1.00 0.00 N ATOM 468 CZ ARG A 31 -9.261 14.292 1.861 1.00 0.00 C ATOM 469 NH1 ARG A 31 -10.521 14.704 1.849 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.587 14.267 3.004 1.00 0.00 N ATOM 0 H ARG A 31 -7.312 10.179 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.022 11.287 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.704 10.541 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.294 11.576 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.897 12.806 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.695 12.384 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.598 13.998 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.999 14.768 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.704 13.594 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.043 14.724 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.969 15.001 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.617 13.950 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.039 14.564 3.869 1.00 0.00 H new ATOM 484 N SER A 32 -7.136 12.834 -2.663 1.00 0.00 N ATOM 485 CA SER A 32 -6.336 13.983 -3.069 1.00 0.00 C ATOM 486 C SER A 32 -5.276 13.574 -4.088 1.00 0.00 C ATOM 487 O SER A 32 -4.077 13.650 -3.819 1.00 0.00 O ATOM 488 CB SER A 32 -5.668 14.623 -1.851 1.00 0.00 C ATOM 489 OG SER A 32 -5.295 15.963 -2.119 1.00 0.00 O ATOM 0 H SER A 32 -6.712 12.262 -1.932 1.00 0.00 H new ATOM 0 HA SER A 32 -7.001 14.711 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.351 14.595 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.787 14.046 -1.571 1.00 0.00 H new ATOM 0 HG SER A 32 -4.872 16.350 -1.324 1.00 0.00 H new ATOM 495 N THR A 33 -5.728 13.139 -5.260 1.00 0.00 N ATOM 496 CA THR A 33 -4.820 12.716 -6.320 1.00 0.00 C ATOM 497 C THR A 33 -4.127 13.913 -6.959 1.00 0.00 C ATOM 498 O THR A 33 -4.660 14.534 -7.880 1.00 0.00 O ATOM 499 CB THR A 33 -5.563 11.923 -7.412 1.00 0.00 C ATOM 500 OG1 THR A 33 -6.186 10.768 -6.840 1.00 0.00 O ATOM 501 CG2 THR A 33 -4.606 11.496 -8.515 1.00 0.00 C ATOM 0 H THR A 33 -6.717 13.070 -5.499 1.00 0.00 H new ATOM 0 HA THR A 33 -4.072 12.071 -5.858 1.00 0.00 H new ATOM 0 HB THR A 33 -6.326 12.570 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.232 10.055 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.153 10.938 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.155 12.379 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.824 10.865 -8.094 1.00 0.00 H new ATOM 509 N LEU A 34 -2.935 14.232 -6.468 1.00 0.00 N ATOM 510 CA LEU A 34 -2.167 15.356 -6.993 1.00 0.00 C ATOM 511 C LEU A 34 -1.584 15.025 -8.363 1.00 0.00 C ATOM 512 O LEU A 34 -1.003 13.957 -8.559 1.00 0.00 O ATOM 513 CB LEU A 34 -1.043 15.728 -6.024 1.00 0.00 C ATOM 514 CG LEU A 34 -0.626 17.199 -6.012 1.00 0.00 C ATOM 515 CD1 LEU A 34 0.143 17.546 -7.278 1.00 0.00 C ATOM 516 CD2 LEU A 34 -1.845 18.097 -5.863 1.00 0.00 C ATOM 0 H LEU A 34 -2.479 13.729 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.841 16.206 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.353 15.451 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.168 15.125 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 34 0.029 17.365 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.432 18.597 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.037 16.926 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.488 17.365 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.530 19.140 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.525 17.929 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.355 17.866 -4.928 1.00 0.00 H new ATOM 528 N SER A 35 -1.741 15.947 -9.306 1.00 0.00 N ATOM 529 CA SER A 35 -1.232 15.752 -10.659 1.00 0.00 C ATOM 530 C SER A 35 0.287 15.892 -10.692 1.00 0.00 C ATOM 531 O SER A 35 0.819 16.907 -11.143 1.00 0.00 O ATOM 532 CB SER A 35 -1.869 16.761 -11.617 1.00 0.00 C ATOM 533 OG SER A 35 -3.254 16.508 -11.776 1.00 0.00 O ATOM 0 H SER A 35 -2.217 16.837 -9.159 1.00 0.00 H new ATOM 0 HA SER A 35 -1.495 14.743 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.722 17.772 -11.236 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.373 16.710 -12.586 1.00 0.00 H new ATOM 0 HG SER A 35 -3.638 17.167 -12.391 1.00 0.00 H new ATOM 539 N ARG A 36 0.980 14.864 -10.212 1.00 0.00 N ATOM 540 CA ARG A 36 2.438 14.871 -10.186 1.00 0.00 C ATOM 541 C ARG A 36 3.007 14.189 -11.426 1.00 0.00 C ATOM 542 O ARG A 36 3.656 14.827 -12.255 1.00 0.00 O ATOM 543 CB ARG A 36 2.949 14.172 -8.925 1.00 0.00 C ATOM 544 CG ARG A 36 2.489 14.830 -7.634 1.00 0.00 C ATOM 545 CD ARG A 36 2.993 14.075 -6.414 1.00 0.00 C ATOM 546 NE ARG A 36 4.449 14.119 -6.306 1.00 0.00 N ATOM 547 CZ ARG A 36 5.165 13.215 -5.647 1.00 0.00 C ATOM 548 NH1 ARG A 36 4.563 12.201 -5.042 1.00 0.00 N ATOM 549 NH2 ARG A 36 6.486 13.323 -5.594 1.00 0.00 N ATOM 0 H ARG A 36 0.555 14.016 -9.836 1.00 0.00 H new ATOM 0 HA ARG A 36 2.772 15.908 -10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.614 13.135 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.039 14.155 -8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.848 15.859 -7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.400 14.872 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.550 14.502 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.665 13.037 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 36 4.943 14.886 -6.762 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.548 12.113 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.115 11.508 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.953 14.101 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.035 12.628 -5.088 1.00 0.00 H new ATOM 563 N ARG A 37 2.760 12.889 -11.545 1.00 0.00 N ATOM 564 CA ARG A 37 3.250 12.119 -12.682 1.00 0.00 C ATOM 565 C ARG A 37 2.094 11.475 -13.441 1.00 0.00 C ATOM 566 O ARG A 37 2.298 10.801 -14.452 1.00 0.00 O ATOM 567 CB ARG A 37 4.229 11.041 -12.213 1.00 0.00 C ATOM 568 CG ARG A 37 5.034 10.417 -13.341 1.00 0.00 C ATOM 569 CD ARG A 37 5.910 11.447 -14.037 1.00 0.00 C ATOM 570 NE ARG A 37 5.161 12.230 -15.016 1.00 0.00 N ATOM 571 CZ ARG A 37 5.516 13.448 -15.410 1.00 0.00 C ATOM 572 NH1 ARG A 37 6.603 14.019 -14.911 1.00 0.00 N ATOM 573 NH2 ARG A 37 4.783 14.096 -16.306 1.00 0.00 N ATOM 0 H ARG A 37 2.223 12.347 -10.868 1.00 0.00 H new ATOM 0 HA ARG A 37 3.768 12.803 -13.354 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.915 11.476 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.674 10.257 -11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.658 9.616 -12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.357 9.965 -14.066 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.344 12.116 -13.294 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.738 10.942 -14.534 1.00 0.00 H new ATOM 0 HE ARG A 37 4.319 11.819 -15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.169 13.523 -14.223 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.873 14.954 -15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.946 13.659 -16.693 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.056 15.031 -16.608 1.00 0.00 H new ATOM 587 N LYS A 38 0.878 11.686 -12.948 1.00 0.00 N ATOM 588 CA LYS A 38 -0.312 11.128 -13.579 1.00 0.00 C ATOM 589 C LYS A 38 -0.260 9.603 -13.585 1.00 0.00 C ATOM 590 O LYS A 38 -0.717 8.960 -14.531 1.00 0.00 O ATOM 591 CB LYS A 38 -0.448 11.651 -15.010 1.00 0.00 C ATOM 592 CG LYS A 38 -0.994 13.066 -15.092 1.00 0.00 C ATOM 593 CD LYS A 38 0.122 14.096 -15.054 1.00 0.00 C ATOM 594 CE LYS A 38 -0.314 15.413 -15.678 1.00 0.00 C ATOM 595 NZ LYS A 38 -1.497 15.991 -14.982 1.00 0.00 N ATOM 0 H LYS A 38 0.691 12.240 -12.112 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.181 11.442 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.528 11.619 -15.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.104 10.985 -15.571 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.568 13.183 -16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.680 13.241 -14.264 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.428 14.265 -14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.992 13.711 -15.585 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.512 16.123 -15.641 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.552 15.255 -16.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.299 16.039 -15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.751 15.390 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.268 16.948 -14.645 1.00 0.00 H new ATOM 609 N THR A 39 0.300 9.030 -12.524 1.00 0.00 N ATOM 610 CA THR A 39 0.411 7.582 -12.408 1.00 0.00 C ATOM 611 C THR A 39 -0.245 7.081 -11.127 1.00 0.00 C ATOM 612 O THR A 39 0.123 7.471 -10.019 1.00 0.00 O ATOM 613 CB THR A 39 1.883 7.128 -12.429 1.00 0.00 C ATOM 614 OG1 THR A 39 2.535 7.635 -13.599 1.00 0.00 O ATOM 615 CG2 THR A 39 1.982 5.610 -12.405 1.00 0.00 C ATOM 0 H THR A 39 0.684 9.547 -11.733 1.00 0.00 H new ATOM 0 HA THR A 39 -0.105 7.156 -13.268 1.00 0.00 H new ATOM 0 HB THR A 39 2.374 7.522 -11.540 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.471 7.344 -13.604 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.031 5.313 -12.420 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.510 5.229 -11.499 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.476 5.199 -13.278 1.00 0.00 H new ATOM 623 N PRO A 40 -1.240 6.194 -11.278 1.00 0.00 N ATOM 624 CA PRO A 40 -1.967 5.619 -10.142 1.00 0.00 C ATOM 625 C PRO A 40 -1.106 4.661 -9.327 1.00 0.00 C ATOM 626 O PRO A 40 -1.010 3.476 -9.642 1.00 0.00 O ATOM 627 CB PRO A 40 -3.123 4.866 -10.805 1.00 0.00 C ATOM 628 CG PRO A 40 -2.629 4.544 -12.174 1.00 0.00 C ATOM 629 CD PRO A 40 -1.731 5.684 -12.569 1.00 0.00 C ATOM 0 HA PRO A 40 -2.288 6.384 -9.435 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.375 3.961 -10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.024 5.478 -10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.086 3.599 -12.181 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.458 4.440 -12.874 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.913 5.349 -13.206 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.274 6.450 -13.123 1.00 0.00 H new ATOM 637 N MET A 41 -0.480 5.183 -8.276 1.00 0.00 N ATOM 638 CA MET A 41 0.373 4.372 -7.415 1.00 0.00 C ATOM 639 C MET A 41 -0.097 4.441 -5.965 1.00 0.00 C ATOM 640 O MET A 41 -0.278 5.526 -5.411 1.00 0.00 O ATOM 641 CB MET A 41 1.826 4.839 -7.515 1.00 0.00 C ATOM 642 CG MET A 41 2.570 4.258 -8.706 1.00 0.00 C ATOM 643 SD MET A 41 4.267 4.857 -8.824 1.00 0.00 S ATOM 644 CE MET A 41 5.160 3.498 -8.074 1.00 0.00 C ATOM 0 H MET A 41 -0.548 6.163 -8.001 1.00 0.00 H new ATOM 0 HA MET A 41 0.308 3.337 -7.751 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.846 5.927 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.351 4.565 -6.600 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.577 3.171 -8.630 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.035 4.510 -9.622 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.689 3.854 -7.190 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.458 2.716 -7.786 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.878 3.096 -8.789 1.00 0.00 H new ATOM 654 N CYS A 42 -0.294 3.277 -5.356 1.00 0.00 N ATOM 655 CA CYS A 42 -0.744 3.204 -3.971 1.00 0.00 C ATOM 656 C CYS A 42 0.358 3.657 -3.017 1.00 0.00 C ATOM 657 O CYS A 42 1.544 3.496 -3.302 1.00 0.00 O ATOM 658 CB CYS A 42 -1.176 1.777 -3.627 1.00 0.00 C ATOM 659 SG CYS A 42 0.175 0.557 -3.685 1.00 0.00 S ATOM 0 H CYS A 42 -0.149 2.370 -5.800 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.598 3.872 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.613 1.772 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.959 1.469 -4.320 1.00 0.00 H new ATOM 664 N GLU A 43 -0.045 4.224 -1.884 1.00 0.00 N ATOM 665 CA GLU A 43 0.908 4.701 -0.889 1.00 0.00 C ATOM 666 C GLU A 43 1.996 3.662 -0.636 1.00 0.00 C ATOM 667 O GLU A 43 3.155 4.004 -0.401 1.00 0.00 O ATOM 668 CB GLU A 43 0.189 5.032 0.421 1.00 0.00 C ATOM 669 CG GLU A 43 -0.463 3.828 1.078 1.00 0.00 C ATOM 670 CD GLU A 43 -1.683 3.339 0.321 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.407 4.183 -0.246 1.00 0.00 O ATOM 672 OE2 GLU A 43 -1.913 2.112 0.297 1.00 0.00 O ATOM 0 H GLU A 43 -1.024 4.364 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 43 1.377 5.606 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.903 5.472 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.573 5.787 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.264 3.019 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.752 4.087 2.097 1.00 0.00 H new ATOM 679 N LYS A 44 1.614 2.390 -0.685 1.00 0.00 N ATOM 680 CA LYS A 44 2.556 1.299 -0.462 1.00 0.00 C ATOM 681 C LYS A 44 3.666 1.317 -1.507 1.00 0.00 C ATOM 682 O LYS A 44 4.822 1.020 -1.204 1.00 0.00 O ATOM 683 CB LYS A 44 1.827 -0.046 -0.499 1.00 0.00 C ATOM 684 CG LYS A 44 2.734 -1.237 -0.242 1.00 0.00 C ATOM 685 CD LYS A 44 1.946 -2.447 0.228 1.00 0.00 C ATOM 686 CE LYS A 44 2.732 -3.735 0.033 1.00 0.00 C ATOM 687 NZ LYS A 44 2.563 -4.285 -1.340 1.00 0.00 N ATOM 0 H LYS A 44 0.658 2.089 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 44 3.006 1.435 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.031 -0.039 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.352 -0.165 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.276 -1.486 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.479 -0.973 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.692 -2.330 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.006 -2.506 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.789 -3.547 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.404 -4.475 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.114 -5.162 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.557 -4.488 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.899 -3.590 -2.036 1.00 0.00 H new ATOM 701 N CYS A 45 3.309 1.667 -2.738 1.00 0.00 N ATOM 702 CA CYS A 45 4.275 1.725 -3.828 1.00 0.00 C ATOM 703 C CYS A 45 5.003 3.066 -3.839 1.00 0.00 C ATOM 704 O CYS A 45 6.160 3.152 -4.252 1.00 0.00 O ATOM 705 CB CYS A 45 3.575 1.501 -5.170 1.00 0.00 C ATOM 706 SG CYS A 45 3.015 -0.211 -5.440 1.00 0.00 S ATOM 0 H CYS A 45 2.357 1.915 -3.006 1.00 0.00 H new ATOM 0 HA CYS A 45 5.009 0.934 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.715 2.168 -5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.256 1.780 -5.974 1.00 0.00 H new ATOM 711 N ARG A 46 4.318 4.109 -3.383 1.00 0.00 N ATOM 712 CA ARG A 46 4.899 5.446 -3.341 1.00 0.00 C ATOM 713 C ARG A 46 6.365 5.388 -2.921 1.00 0.00 C ATOM 714 O ARG A 46 7.253 5.789 -3.674 1.00 0.00 O ATOM 715 CB ARG A 46 4.115 6.335 -2.374 1.00 0.00 C ATOM 716 CG ARG A 46 2.751 6.752 -2.900 1.00 0.00 C ATOM 717 CD ARG A 46 2.874 7.749 -4.042 1.00 0.00 C ATOM 718 NE ARG A 46 3.034 9.117 -3.558 1.00 0.00 N ATOM 719 CZ ARG A 46 2.015 9.904 -3.229 1.00 0.00 C ATOM 720 NH1 ARG A 46 0.770 9.459 -3.329 1.00 0.00 N ATOM 721 NH2 ARG A 46 2.241 11.138 -2.796 1.00 0.00 N ATOM 0 H ARG A 46 3.360 4.054 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 46 4.842 5.872 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.985 5.805 -1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.701 7.229 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.207 5.871 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.168 7.193 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.728 7.483 -4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.987 7.689 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 46 3.979 9.489 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.592 8.510 -3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.010 10.065 -3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.197 11.483 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.458 11.741 -2.544 1.00 0.00 H new ATOM 735 N LYS A 47 6.611 4.888 -1.715 1.00 0.00 N ATOM 736 CA LYS A 47 7.968 4.777 -1.195 1.00 0.00 C ATOM 737 C LYS A 47 8.859 4.000 -2.159 1.00 0.00 C ATOM 738 O LYS A 47 10.041 4.309 -2.312 1.00 0.00 O ATOM 739 CB LYS A 47 7.957 4.089 0.172 1.00 0.00 C ATOM 740 CG LYS A 47 7.510 2.638 0.120 1.00 0.00 C ATOM 741 CD LYS A 47 7.851 1.903 1.405 1.00 0.00 C ATOM 742 CE LYS A 47 6.722 2.002 2.420 1.00 0.00 C ATOM 743 NZ LYS A 47 5.494 1.299 1.954 1.00 0.00 N ATOM 0 H LYS A 47 5.887 4.553 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 47 8.372 5.784 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.958 4.137 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.296 4.640 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.434 2.594 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.988 2.139 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.052 0.855 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.763 2.319 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.048 1.574 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.492 3.051 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.704 1.974 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.662 0.895 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.257 0.536 2.620 1.00 0.00 H new ATOM 757 N ASP A 48 8.284 2.993 -2.807 1.00 0.00 N ATOM 758 CA ASP A 48 9.026 2.174 -3.759 1.00 0.00 C ATOM 759 C ASP A 48 9.989 3.029 -4.577 1.00 0.00 C ATOM 760 O ASP A 48 11.153 2.672 -4.756 1.00 0.00 O ATOM 761 CB ASP A 48 8.062 1.437 -4.689 1.00 0.00 C ATOM 762 CG ASP A 48 8.670 0.176 -5.271 1.00 0.00 C ATOM 763 OD1 ASP A 48 9.873 0.198 -5.607 1.00 0.00 O ATOM 764 OD2 ASP A 48 7.944 -0.833 -5.392 1.00 0.00 O ATOM 0 H ASP A 48 7.307 2.724 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 48 9.607 1.443 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.156 1.180 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.765 2.102 -5.500 1.00 0.00 H new ATOM 769 N SER A 49 9.494 4.159 -5.072 1.00 0.00 N ATOM 770 CA SER A 49 10.309 5.063 -5.875 1.00 0.00 C ATOM 771 C SER A 49 11.210 4.281 -6.827 1.00 0.00 C ATOM 772 O SER A 49 12.378 4.623 -7.014 1.00 0.00 O ATOM 773 CB SER A 49 11.158 5.958 -4.971 1.00 0.00 C ATOM 774 OG SER A 49 11.892 6.903 -5.731 1.00 0.00 O ATOM 0 H SER A 49 8.533 4.470 -4.931 1.00 0.00 H new ATOM 0 HA SER A 49 9.639 5.688 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.514 6.478 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.844 5.344 -4.388 1.00 0.00 H new ATOM 0 HG SER A 49 12.342 6.447 -6.473 1.00 0.00 H new ATOM 780 N CYS A 50 10.658 3.231 -7.424 1.00 0.00 N ATOM 781 CA CYS A 50 11.411 2.399 -8.356 1.00 0.00 C ATOM 782 C CYS A 50 12.316 3.253 -9.238 1.00 0.00 C ATOM 783 O CYS A 50 12.088 4.451 -9.402 1.00 0.00 O ATOM 784 CB CYS A 50 10.457 1.580 -9.226 1.00 0.00 C ATOM 785 SG CYS A 50 9.351 2.578 -10.251 1.00 0.00 S ATOM 0 H CYS A 50 9.692 2.935 -7.280 1.00 0.00 H new ATOM 0 HA CYS A 50 12.035 1.720 -7.775 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.043 0.926 -9.872 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.857 0.937 -8.582 1.00 0.00 H new ATOM 0 HG CYS A 50 9.549 2.296 -11.505 1.00 0.00 H new ATOM 791 N GLN A 51 13.345 2.628 -9.802 1.00 0.00 N ATOM 792 CA GLN A 51 14.286 3.332 -10.665 1.00 0.00 C ATOM 793 C GLN A 51 13.552 4.085 -11.771 1.00 0.00 C ATOM 794 O GLN A 51 13.886 5.227 -12.082 1.00 0.00 O ATOM 795 CB GLN A 51 15.283 2.347 -11.278 1.00 0.00 C ATOM 796 CG GLN A 51 14.633 1.291 -12.157 1.00 0.00 C ATOM 797 CD GLN A 51 15.649 0.440 -12.895 1.00 0.00 C ATOM 798 OE1 GLN A 51 16.820 0.804 -13.002 1.00 0.00 O ATOM 799 NE2 GLN A 51 15.204 -0.701 -13.408 1.00 0.00 N ATOM 0 H GLN A 51 13.548 1.636 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 51 14.828 4.055 -10.056 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.012 2.901 -11.869 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.832 1.853 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.005 0.648 -11.541 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.979 1.778 -12.880 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.225 -0.963 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.841 -1.315 -13.915 1.00 0.00 H new ATOM 808 N GLU A 52 12.552 3.436 -12.359 1.00 0.00 N ATOM 809 CA GLU A 52 11.773 4.045 -13.430 1.00 0.00 C ATOM 810 C GLU A 52 10.377 3.432 -13.504 1.00 0.00 C ATOM 811 O GLU A 52 10.188 2.255 -13.200 1.00 0.00 O ATOM 812 CB GLU A 52 12.488 3.873 -14.772 1.00 0.00 C ATOM 813 CG GLU A 52 13.448 5.005 -15.100 1.00 0.00 C ATOM 814 CD GLU A 52 14.036 4.887 -16.492 1.00 0.00 C ATOM 815 OE1 GLU A 52 13.302 4.469 -17.412 1.00 0.00 O ATOM 816 OE2 GLU A 52 15.230 5.211 -16.662 1.00 0.00 O ATOM 0 H GLU A 52 12.263 2.490 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 52 11.674 5.108 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.038 2.932 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.743 3.799 -15.564 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.925 5.957 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.256 5.015 -14.368 1.00 0.00 H new ATOM 823 N ALA A 53 9.403 4.241 -13.908 1.00 0.00 N ATOM 824 CA ALA A 53 8.025 3.780 -14.023 1.00 0.00 C ATOM 825 C ALA A 53 7.474 4.039 -15.421 1.00 0.00 C ATOM 826 O ALA A 53 7.079 3.110 -16.125 1.00 0.00 O ATOM 827 CB ALA A 53 7.153 4.457 -12.976 1.00 0.00 C ATOM 0 H ALA A 53 9.543 5.219 -14.161 1.00 0.00 H new ATOM 0 HA ALA A 53 8.012 2.704 -13.850 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.127 4.103 -13.074 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.527 4.217 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.180 5.537 -13.123 1.00 0.00 H new ATOM 833 N ALA A 54 7.450 5.307 -15.817 1.00 0.00 N ATOM 834 CA ALA A 54 6.949 5.688 -17.132 1.00 0.00 C ATOM 835 C ALA A 54 7.864 6.712 -17.793 1.00 0.00 C ATOM 836 O ALA A 54 8.763 7.261 -17.154 1.00 0.00 O ATOM 837 CB ALA A 54 5.534 6.237 -17.018 1.00 0.00 C ATOM 0 H ALA A 54 7.772 6.088 -15.246 1.00 0.00 H new ATOM 0 HA ALA A 54 6.932 4.797 -17.760 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.172 6.518 -18.007 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.881 5.474 -16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.535 7.113 -16.370 1.00 0.00 H new ATOM 843 N LEU A 55 7.631 6.966 -19.076 1.00 0.00 N ATOM 844 CA LEU A 55 8.436 7.925 -19.825 1.00 0.00 C ATOM 845 C LEU A 55 7.560 8.774 -20.739 1.00 0.00 C ATOM 846 O LEU A 55 6.388 8.467 -20.953 1.00 0.00 O ATOM 847 CB LEU A 55 9.497 7.195 -20.650 1.00 0.00 C ATOM 848 CG LEU A 55 8.980 6.370 -21.829 1.00 0.00 C ATOM 849 CD1 LEU A 55 7.804 5.506 -21.402 1.00 0.00 C ATOM 850 CD2 LEU A 55 8.585 7.279 -22.984 1.00 0.00 C ATOM 0 H LEU A 55 6.891 6.521 -19.619 1.00 0.00 H new ATOM 0 HA LEU A 55 8.930 8.584 -19.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.204 7.933 -21.031 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.053 6.534 -19.986 1.00 0.00 H new ATOM 0 HG LEU A 55 9.782 5.714 -22.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.450 4.926 -22.254 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.119 4.829 -20.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.998 6.143 -21.037 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.219 6.675 -23.814 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.800 7.961 -22.658 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.453 7.854 -23.308 1.00 0.00 H new ATOM 862 N ASN A 56 8.137 9.843 -21.279 1.00 0.00 N ATOM 863 CA ASN A 56 7.409 10.736 -22.172 1.00 0.00 C ATOM 864 C ASN A 56 8.372 11.542 -23.039 1.00 0.00 C ATOM 865 O ASN A 56 9.446 11.941 -22.588 1.00 0.00 O ATOM 866 CB ASN A 56 6.518 11.683 -21.365 1.00 0.00 C ATOM 867 CG ASN A 56 7.314 12.564 -20.423 1.00 0.00 C ATOM 868 OD1 ASN A 56 8.465 12.268 -20.101 1.00 0.00 O ATOM 869 ND2 ASN A 56 6.703 13.654 -19.975 1.00 0.00 N ATOM 0 H ASN A 56 9.107 10.111 -21.113 1.00 0.00 H new ATOM 0 HA ASN A 56 6.784 10.126 -22.824 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.946 12.310 -22.049 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.798 11.099 -20.791 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.188 14.285 -19.338 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.748 13.860 -20.268 1.00 0.00 H new ATOM 876 N LYS A 57 7.979 11.779 -24.286 1.00 0.00 N ATOM 877 CA LYS A 57 8.805 12.539 -25.217 1.00 0.00 C ATOM 878 C LYS A 57 9.343 13.805 -24.559 1.00 0.00 C ATOM 879 O LYS A 57 8.647 14.453 -23.777 1.00 0.00 O ATOM 880 CB LYS A 57 7.999 12.903 -26.466 1.00 0.00 C ATOM 881 CG LYS A 57 6.821 13.819 -26.183 1.00 0.00 C ATOM 882 CD LYS A 57 5.743 13.686 -27.245 1.00 0.00 C ATOM 883 CE LYS A 57 4.959 12.392 -27.084 1.00 0.00 C ATOM 884 NZ LYS A 57 3.656 12.439 -27.804 1.00 0.00 N ATOM 0 H LYS A 57 7.093 11.456 -24.675 1.00 0.00 H new ATOM 0 HA LYS A 57 9.650 11.915 -25.507 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.659 13.386 -27.186 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.633 11.988 -26.932 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.401 13.582 -25.206 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.165 14.852 -26.140 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.063 14.535 -27.183 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.200 13.715 -28.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.552 11.559 -27.461 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.782 12.204 -26.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.152 11.539 -27.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.079 13.218 -27.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.825 12.593 -28.819 1.00 0.00 H new ATOM 898 N ASP A 58 10.584 14.153 -24.881 1.00 0.00 N ATOM 899 CA ASP A 58 11.214 15.344 -24.323 1.00 0.00 C ATOM 900 C ASP A 58 10.298 16.556 -24.457 1.00 0.00 C ATOM 901 O ASP A 58 9.872 16.906 -25.557 1.00 0.00 O ATOM 902 CB ASP A 58 12.547 15.617 -25.022 1.00 0.00 C ATOM 903 CG ASP A 58 12.380 15.881 -26.505 1.00 0.00 C ATOM 904 OD1 ASP A 58 12.260 14.903 -27.272 1.00 0.00 O ATOM 905 OD2 ASP A 58 12.370 17.066 -26.899 1.00 0.00 O ATOM 0 H ASP A 58 11.174 13.627 -25.526 1.00 0.00 H new ATOM 0 HA ASP A 58 11.398 15.165 -23.264 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.029 16.476 -24.555 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.210 14.763 -24.880 1.00 0.00 H new ATOM 910 N GLU A 59 9.998 17.193 -23.328 1.00 0.00 N ATOM 911 CA GLU A 59 9.131 18.365 -23.321 1.00 0.00 C ATOM 912 C GLU A 59 9.793 19.527 -22.585 1.00 0.00 C ATOM 913 O GLU A 59 9.788 20.661 -23.062 1.00 0.00 O ATOM 914 CB GLU A 59 7.790 18.030 -22.665 1.00 0.00 C ATOM 915 CG GLU A 59 6.818 17.321 -23.593 1.00 0.00 C ATOM 916 CD GLU A 59 5.807 16.475 -22.844 1.00 0.00 C ATOM 917 OE1 GLU A 59 6.188 15.398 -22.342 1.00 0.00 O ATOM 918 OE2 GLU A 59 4.632 16.893 -22.760 1.00 0.00 O ATOM 0 H GLU A 59 10.342 16.917 -22.408 1.00 0.00 H new ATOM 0 HA GLU A 59 8.958 18.664 -24.355 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.969 17.402 -21.792 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.330 18.951 -22.306 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.291 18.061 -24.195 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.376 16.688 -24.282 1.00 0.00 H new ATOM 925 N GLY A 60 10.362 19.234 -21.420 1.00 0.00 N ATOM 926 CA GLY A 60 11.020 20.264 -20.636 1.00 0.00 C ATOM 927 C GLY A 60 10.303 20.546 -19.331 1.00 0.00 C ATOM 928 O GLY A 60 9.080 20.439 -19.251 1.00 0.00 O ATOM 0 H GLY A 60 10.379 18.302 -21.005 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.044 19.957 -20.425 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.076 21.182 -21.222 1.00 0.00 H new ATOM 932 N ASN A 61 11.067 20.906 -18.304 1.00 0.00 N ATOM 933 CA ASN A 61 10.497 21.202 -16.995 1.00 0.00 C ATOM 934 C ASN A 61 11.445 22.068 -16.172 1.00 0.00 C ATOM 935 O ASN A 61 12.658 21.863 -16.186 1.00 0.00 O ATOM 936 CB ASN A 61 10.192 19.904 -16.243 1.00 0.00 C ATOM 937 CG ASN A 61 9.794 20.151 -14.801 1.00 0.00 C ATOM 938 OD1 ASN A 61 8.641 20.466 -14.509 1.00 0.00 O ATOM 939 ND2 ASN A 61 10.751 20.010 -13.891 1.00 0.00 N ATOM 0 H ASN A 61 12.081 21.000 -18.353 1.00 0.00 H new ATOM 0 HA ASN A 61 9.569 21.753 -17.147 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.389 19.372 -16.753 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.069 19.257 -16.269 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.543 20.164 -12.904 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.694 19.747 -14.179 1.00 0.00 H new ATOM 946 N GLU A 62 10.882 23.037 -15.457 1.00 0.00 N ATOM 947 CA GLU A 62 11.678 23.935 -14.628 1.00 0.00 C ATOM 948 C GLU A 62 11.110 24.018 -13.214 1.00 0.00 C ATOM 949 O GLU A 62 10.054 24.611 -12.992 1.00 0.00 O ATOM 950 CB GLU A 62 11.728 25.331 -15.252 1.00 0.00 C ATOM 951 CG GLU A 62 12.426 25.370 -16.601 1.00 0.00 C ATOM 952 CD GLU A 62 11.641 24.658 -17.685 1.00 0.00 C ATOM 953 OE1 GLU A 62 10.470 25.029 -17.910 1.00 0.00 O ATOM 954 OE2 GLU A 62 12.197 23.729 -18.308 1.00 0.00 O ATOM 0 H GLU A 62 9.879 23.220 -15.435 1.00 0.00 H new ATOM 0 HA GLU A 62 12.690 23.534 -14.571 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.711 25.705 -15.368 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.240 26.008 -14.568 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.584 26.408 -16.894 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.411 24.911 -16.510 1.00 0.00 H new ATOM 961 N SER A 63 11.817 23.418 -12.262 1.00 0.00 N ATOM 962 CA SER A 63 11.382 23.420 -10.870 1.00 0.00 C ATOM 963 C SER A 63 10.824 24.784 -10.478 1.00 0.00 C ATOM 964 O SER A 63 11.524 25.794 -10.534 1.00 0.00 O ATOM 965 CB SER A 63 12.545 23.048 -9.950 1.00 0.00 C ATOM 966 OG SER A 63 12.213 23.274 -8.591 1.00 0.00 O ATOM 0 H SER A 63 12.694 22.924 -12.429 1.00 0.00 H new ATOM 0 HA SER A 63 10.591 22.678 -10.761 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.806 22.000 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.425 23.635 -10.215 1.00 0.00 H new ATOM 0 HG SER A 63 12.973 23.027 -8.023 1.00 0.00 H new ATOM 972 N GLY A 64 9.555 24.805 -10.078 1.00 0.00 N ATOM 973 CA GLY A 64 8.923 26.050 -9.682 1.00 0.00 C ATOM 974 C GLY A 64 8.536 26.063 -8.216 1.00 0.00 C ATOM 975 O GLY A 64 9.371 26.321 -7.348 1.00 0.00 O ATOM 0 H GLY A 64 8.955 23.982 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.602 26.879 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.034 26.212 -10.291 1.00 0.00 H new ATOM 979 N LYS A 65 7.267 25.785 -7.938 1.00 0.00 N ATOM 980 CA LYS A 65 6.770 25.765 -6.568 1.00 0.00 C ATOM 981 C LYS A 65 6.894 24.370 -5.964 1.00 0.00 C ATOM 982 O LYS A 65 7.398 24.206 -4.852 1.00 0.00 O ATOM 983 CB LYS A 65 5.310 26.222 -6.527 1.00 0.00 C ATOM 984 CG LYS A 65 5.114 27.672 -6.935 1.00 0.00 C ATOM 985 CD LYS A 65 5.399 28.619 -5.782 1.00 0.00 C ATOM 986 CE LYS A 65 4.148 28.889 -4.961 1.00 0.00 C ATOM 987 NZ LYS A 65 3.095 29.572 -5.762 1.00 0.00 N ATOM 0 H LYS A 65 6.563 25.570 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 65 7.377 26.452 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.720 25.585 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.923 26.082 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.772 27.908 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.091 27.818 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.171 28.192 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.791 29.559 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.757 27.948 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.405 29.505 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.498 30.146 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.543 30.187 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.508 28.860 -6.242 1.00 0.00 H new ATOM 1001 N LYS A 66 6.434 23.367 -6.703 1.00 0.00 N ATOM 1002 CA LYS A 66 6.496 21.985 -6.243 1.00 0.00 C ATOM 1003 C LYS A 66 7.902 21.419 -6.409 1.00 0.00 C ATOM 1004 O LYS A 66 8.229 20.834 -7.442 1.00 0.00 O ATOM 1005 CB LYS A 66 5.493 21.123 -7.013 1.00 0.00 C ATOM 1006 CG LYS A 66 5.351 19.715 -6.462 1.00 0.00 C ATOM 1007 CD LYS A 66 4.551 19.700 -5.170 1.00 0.00 C ATOM 1008 CE LYS A 66 4.650 18.354 -4.469 1.00 0.00 C ATOM 1009 NZ LYS A 66 3.923 17.287 -5.210 1.00 0.00 N ATOM 0 H LYS A 66 6.013 23.485 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 66 6.240 21.970 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.518 21.611 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.802 21.066 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.861 19.082 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.339 19.292 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.915 20.485 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.506 19.923 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.699 18.075 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.242 18.439 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.015 16.386 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.917 17.541 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.328 17.188 -6.163 1.00 0.00 H new ATOM 1023 N THR A 67 8.732 21.594 -5.385 1.00 0.00 N ATOM 1024 CA THR A 67 10.102 21.100 -5.418 1.00 0.00 C ATOM 1025 C THR A 67 10.192 19.689 -4.848 1.00 0.00 C ATOM 1026 O THR A 67 10.581 19.499 -3.696 1.00 0.00 O ATOM 1027 CB THR A 67 11.051 22.022 -4.628 1.00 0.00 C ATOM 1028 OG1 THR A 67 12.293 21.354 -4.385 1.00 0.00 O ATOM 1029 CG2 THR A 67 10.425 22.437 -3.305 1.00 0.00 C ATOM 0 H THR A 67 8.478 22.075 -4.522 1.00 0.00 H new ATOM 0 HA THR A 67 10.408 21.086 -6.464 1.00 0.00 H new ATOM 0 HB THR A 67 11.231 22.917 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.137 20.567 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.113 23.087 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.494 22.971 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.219 21.550 -2.706 1.00 0.00 H new ATOM 1037 N SER A 68 9.831 18.703 -5.663 1.00 0.00 N ATOM 1038 CA SER A 68 9.868 17.309 -5.238 1.00 0.00 C ATOM 1039 C SER A 68 10.810 16.496 -6.122 1.00 0.00 C ATOM 1040 O SER A 68 11.789 15.924 -5.644 1.00 0.00 O ATOM 1041 CB SER A 68 8.464 16.703 -5.278 1.00 0.00 C ATOM 1042 OG SER A 68 7.867 16.883 -6.551 1.00 0.00 O ATOM 0 H SER A 68 9.510 18.844 -6.621 1.00 0.00 H new ATOM 0 HA SER A 68 10.240 17.278 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.517 15.640 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.842 17.167 -4.512 1.00 0.00 H new ATOM 0 HG SER A 68 6.971 16.486 -6.551 1.00 0.00 H new ATOM 1048 N GLY A 69 10.506 16.451 -7.415 1.00 0.00 N ATOM 1049 CA GLY A 69 11.333 15.707 -8.346 1.00 0.00 C ATOM 1050 C GLY A 69 12.458 16.545 -8.920 1.00 0.00 C ATOM 1051 O GLY A 69 12.532 17.755 -8.704 1.00 0.00 O ATOM 0 H GLY A 69 9.701 16.917 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.753 14.838 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.712 15.332 -9.159 1.00 0.00 H new ATOM 1055 N PRO A 70 13.362 15.897 -9.670 1.00 0.00 N ATOM 1056 CA PRO A 70 14.506 16.571 -10.290 1.00 0.00 C ATOM 1057 C PRO A 70 14.086 17.499 -11.425 1.00 0.00 C ATOM 1058 O PRO A 70 12.909 17.568 -11.780 1.00 0.00 O ATOM 1059 CB PRO A 70 15.350 15.414 -10.831 1.00 0.00 C ATOM 1060 CG PRO A 70 14.379 14.304 -11.042 1.00 0.00 C ATOM 1061 CD PRO A 70 13.336 14.455 -9.969 1.00 0.00 C ATOM 0 HA PRO A 70 15.036 17.208 -9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.847 15.688 -11.762 1.00 0.00 H new ATOM 0 HB3 PRO A 70 16.130 15.129 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.930 14.362 -12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.873 13.335 -10.972 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.354 14.134 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.575 13.858 -9.089 1.00 0.00 H new ATOM 1069 N SER A 71 15.055 18.212 -11.990 1.00 0.00 N ATOM 1070 CA SER A 71 14.785 19.138 -13.083 1.00 0.00 C ATOM 1071 C SER A 71 14.968 18.453 -14.434 1.00 0.00 C ATOM 1072 O SER A 71 15.530 19.032 -15.365 1.00 0.00 O ATOM 1073 CB SER A 71 15.707 20.356 -12.987 1.00 0.00 C ATOM 1074 OG SER A 71 15.314 21.366 -13.900 1.00 0.00 O ATOM 0 H SER A 71 16.034 18.166 -11.709 1.00 0.00 H new ATOM 0 HA SER A 71 13.749 19.467 -13.000 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.688 20.752 -11.972 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.734 20.055 -13.192 1.00 0.00 H new ATOM 0 HG SER A 71 15.240 20.983 -14.799 1.00 0.00 H new ATOM 1080 N SER A 72 14.490 17.217 -14.533 1.00 0.00 N ATOM 1081 CA SER A 72 14.604 16.451 -15.769 1.00 0.00 C ATOM 1082 C SER A 72 13.225 16.131 -16.339 1.00 0.00 C ATOM 1083 O SER A 72 12.963 16.354 -17.520 1.00 0.00 O ATOM 1084 CB SER A 72 15.378 15.155 -15.520 1.00 0.00 C ATOM 1085 OG SER A 72 16.773 15.360 -15.657 1.00 0.00 O ATOM 0 H SER A 72 14.020 16.725 -13.773 1.00 0.00 H new ATOM 0 HA SER A 72 15.146 17.057 -16.495 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.158 14.783 -14.519 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.049 14.390 -16.223 1.00 0.00 H new ATOM 0 HG SER A 72 17.245 14.517 -15.491 1.00 0.00 H new ATOM 1091 N GLY A 73 12.347 15.607 -15.489 1.00 0.00 N ATOM 1092 CA GLY A 73 11.006 15.265 -15.925 1.00 0.00 C ATOM 1093 C GLY A 73 10.115 16.483 -16.070 1.00 0.00 C ATOM 1094 O GLY A 73 10.289 17.243 -17.022 1.00 0.00 O ATOM 0 H GLY A 73 12.541 15.413 -14.506 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.060 14.742 -16.880 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.559 14.575 -15.209 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.716 -0.261 -5.783 1.00 0.00 ZN