USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 71:sc= -0.604! USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0.152 (180deg=0.151) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= -5.43! (180deg=-5.81!) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -14.2! (180deg=-15.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -8.25! C(o=-8.2!,f=-3.5!) USER MOD Single : A 23 ASN : amide:sc= -6.12! C(o=-6.1!,f=-5.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 31 GLN : amide:sc= -15.2! C(o=-15!,f=-24!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -25:sc= -1.52 USER MOD Single : A 38 GLN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 40 TYR OH : rot -166:sc= -3.14! USER MOD Single : A 42 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.8) USER MOD Single : A 43 HIS : no HE2:sc= -9.98! C(o=-10!,f=-14!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 48 ASN : amide:sc= -9.4! C(o=-9.4!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 -2.925 9.852 -6.459 1.00 0.00 N ATOM 18 CA GLU A 2 -2.384 9.788 -5.072 1.00 0.00 C ATOM 19 C GLU A 2 -2.823 8.480 -4.414 1.00 0.00 C ATOM 20 O GLU A 2 -3.970 8.084 -4.493 1.00 0.00 O ATOM 21 CB GLU A 2 -2.918 10.971 -4.262 1.00 0.00 C ATOM 22 CG GLU A 2 -2.121 11.102 -2.963 1.00 0.00 C ATOM 23 CD GLU A 2 -1.324 12.408 -2.983 1.00 0.00 C ATOM 24 OE1 GLU A 2 -1.074 12.909 -4.067 1.00 0.00 O ATOM 25 OE2 GLU A 2 -0.976 12.883 -1.915 1.00 0.00 O ATOM 0 HA GLU A 2 -1.295 9.831 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.838 11.889 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.975 10.825 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.796 11.088 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.446 10.253 -2.851 1.00 0.00 H new ATOM 32 N PHE A 3 -1.914 7.804 -3.769 1.00 0.00 N ATOM 33 CA PHE A 3 -2.260 6.519 -3.107 1.00 0.00 C ATOM 34 C PHE A 3 -1.530 6.465 -1.764 1.00 0.00 C ATOM 35 O PHE A 3 -0.615 7.224 -1.517 1.00 0.00 O ATOM 36 CB PHE A 3 -1.831 5.370 -4.043 1.00 0.00 C ATOM 37 CG PHE A 3 -1.289 4.204 -3.295 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.025 4.303 -2.745 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.016 3.015 -3.190 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.527 3.216 -2.090 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.466 1.932 -2.527 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.205 2.022 -1.981 1.00 0.00 C ATOM 0 H PHE A 3 -0.940 8.090 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.330 6.428 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.686 5.051 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.076 5.735 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.530 5.226 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.002 2.942 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.517 3.285 -1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.027 1.014 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.222 1.173 -1.468 1.00 0.00 H new ATOM 52 N LEU A 4 -1.938 5.590 -0.892 1.00 0.00 N ATOM 53 CA LEU A 4 -1.269 5.509 0.444 1.00 0.00 C ATOM 54 C LEU A 4 0.239 5.394 0.247 1.00 0.00 C ATOM 55 O LEU A 4 0.782 4.313 0.170 1.00 0.00 O ATOM 56 CB LEU A 4 -1.752 4.279 1.203 1.00 0.00 C ATOM 57 CG LEU A 4 -1.806 3.109 0.244 1.00 0.00 C ATOM 58 CD1 LEU A 4 -0.794 2.077 0.710 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.206 2.509 0.254 1.00 0.00 C ATOM 0 H LEU A 4 -2.700 4.929 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.513 6.407 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.079 4.058 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.737 4.462 1.632 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.573 3.431 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.811 1.221 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.202 2.519 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.046 1.750 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.246 1.666 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.448 2.166 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.928 3.265 -0.054 1.00 0.00 H new ATOM 71 N GLU A 5 0.925 6.494 0.190 1.00 0.00 N ATOM 72 CA GLU A 5 2.399 6.430 0.016 1.00 0.00 C ATOM 73 C GLU A 5 3.021 5.900 1.316 1.00 0.00 C ATOM 74 O GLU A 5 4.204 5.633 1.394 1.00 0.00 O ATOM 75 CB GLU A 5 2.932 7.830 -0.310 1.00 0.00 C ATOM 76 CG GLU A 5 2.328 8.329 -1.639 1.00 0.00 C ATOM 77 CD GLU A 5 2.754 9.777 -1.865 1.00 0.00 C ATOM 78 OE1 GLU A 5 3.937 10.003 -2.042 1.00 0.00 O ATOM 79 OE2 GLU A 5 1.889 10.636 -1.849 1.00 0.00 O ATOM 0 H GLU A 5 0.532 7.433 0.256 1.00 0.00 H new ATOM 0 HA GLU A 5 2.661 5.762 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.680 8.520 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.019 7.806 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.667 7.704 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.241 8.257 -1.609 1.00 0.00 H new ATOM 86 N ASP A 6 2.211 5.729 2.330 1.00 0.00 N ATOM 87 CA ASP A 6 2.699 5.198 3.632 1.00 0.00 C ATOM 88 C ASP A 6 1.477 4.727 4.423 1.00 0.00 C ATOM 89 O ASP A 6 0.873 5.499 5.140 1.00 0.00 O ATOM 90 CB ASP A 6 3.422 6.303 4.405 1.00 0.00 C ATOM 91 CG ASP A 6 4.908 6.290 4.044 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.608 5.417 4.529 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.321 7.154 3.287 1.00 0.00 O ATOM 0 H ASP A 6 1.213 5.940 2.306 1.00 0.00 H new ATOM 0 HA ASP A 6 3.397 4.375 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.987 7.273 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.296 6.153 5.477 1.00 0.00 H new ATOM 98 N PRO A 7 1.127 3.476 4.236 1.00 0.00 N ATOM 99 CA PRO A 7 -0.051 2.874 4.892 1.00 0.00 C ATOM 100 C PRO A 7 0.224 2.499 6.348 1.00 0.00 C ATOM 101 O PRO A 7 0.096 1.353 6.732 1.00 0.00 O ATOM 102 CB PRO A 7 -0.324 1.610 4.081 1.00 0.00 C ATOM 103 CG PRO A 7 0.999 1.263 3.358 1.00 0.00 C ATOM 104 CD PRO A 7 1.869 2.546 3.356 1.00 0.00 C ATOM 0 HA PRO A 7 -0.888 3.572 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.639 0.792 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.128 1.775 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.514 0.449 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.805 0.928 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.872 2.350 3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.982 2.951 2.350 1.00 0.00 H new ATOM 112 N SER A 8 0.579 3.440 7.167 1.00 0.00 N ATOM 113 CA SER A 8 0.830 3.107 8.591 1.00 0.00 C ATOM 114 C SER A 8 -0.378 3.545 9.426 1.00 0.00 C ATOM 115 O SER A 8 -0.388 3.417 10.634 1.00 0.00 O ATOM 116 CB SER A 8 2.083 3.838 9.077 1.00 0.00 C ATOM 117 OG SER A 8 1.786 5.214 9.264 1.00 0.00 O ATOM 0 H SER A 8 0.706 4.420 6.916 1.00 0.00 H new ATOM 0 HA SER A 8 0.981 2.033 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.433 3.400 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.888 3.724 8.351 1.00 0.00 H new ATOM 0 HG SER A 8 2.588 5.682 9.577 1.00 0.00 H new ATOM 123 N VAL A 9 -1.389 4.085 8.792 1.00 0.00 N ATOM 124 CA VAL A 9 -2.572 4.553 9.536 1.00 0.00 C ATOM 125 C VAL A 9 -3.834 3.787 9.087 1.00 0.00 C ATOM 126 O VAL A 9 -4.904 3.989 9.627 1.00 0.00 O ATOM 127 CB VAL A 9 -2.711 6.055 9.264 1.00 0.00 C ATOM 128 CG1 VAL A 9 -4.173 6.443 9.100 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.084 6.816 10.420 1.00 0.00 C ATOM 0 H VAL A 9 -1.435 4.218 7.782 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.456 4.371 10.604 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.199 6.306 8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.246 7.513 8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.603 5.894 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.718 6.200 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.175 7.888 10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.597 6.558 11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.030 6.550 10.502 1.00 0.00 H new ATOM 139 N LEU A 10 -3.734 2.918 8.114 1.00 0.00 N ATOM 140 CA LEU A 10 -4.951 2.176 7.675 1.00 0.00 C ATOM 141 C LEU A 10 -4.921 0.761 8.231 1.00 0.00 C ATOM 142 O LEU A 10 -5.552 0.494 9.231 1.00 0.00 O ATOM 143 CB LEU A 10 -5.083 2.156 6.126 1.00 0.00 C ATOM 144 CG LEU A 10 -3.724 2.407 5.454 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.851 2.191 3.948 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.289 3.856 5.701 1.00 0.00 C ATOM 0 H LEU A 10 -2.875 2.693 7.612 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.826 2.695 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.480 1.193 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.796 2.917 5.808 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.989 1.719 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.887 2.369 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.168 1.167 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.589 2.883 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.325 4.033 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.031 4.535 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.201 4.032 6.773 1.00 0.00 H new ATOM 158 N THR A 11 -4.241 -0.153 7.585 1.00 0.00 N ATOM 159 CA THR A 11 -4.231 -1.565 8.053 1.00 0.00 C ATOM 160 C THR A 11 -3.935 -2.453 6.859 1.00 0.00 C ATOM 161 O THR A 11 -3.747 -1.978 5.756 1.00 0.00 O ATOM 162 CB THR A 11 -5.635 -1.907 8.531 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.808 -3.314 8.604 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.636 -1.310 7.532 1.00 0.00 C ATOM 0 H THR A 11 -3.689 0.025 6.746 1.00 0.00 H new ATOM 0 HA THR A 11 -3.494 -1.705 8.844 1.00 0.00 H new ATOM 0 HB THR A 11 -5.797 -1.495 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.284 -3.670 9.352 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.652 -1.542 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.507 -0.229 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.461 -1.735 6.544 1.00 0.00 H new ATOM 172 N LYS A 12 -3.945 -3.736 7.041 1.00 0.00 N ATOM 173 CA LYS A 12 -3.722 -4.615 5.872 1.00 0.00 C ATOM 174 C LYS A 12 -5.086 -4.871 5.218 1.00 0.00 C ATOM 175 O LYS A 12 -5.436 -5.990 4.909 1.00 0.00 O ATOM 176 CB LYS A 12 -3.102 -5.958 6.298 1.00 0.00 C ATOM 177 CG LYS A 12 -1.654 -6.074 5.794 1.00 0.00 C ATOM 178 CD LYS A 12 -0.699 -5.857 6.971 1.00 0.00 C ATOM 179 CE LYS A 12 -0.854 -6.996 7.983 1.00 0.00 C ATOM 180 NZ LYS A 12 -0.307 -6.564 9.301 1.00 0.00 N ATOM 0 H LYS A 12 -4.095 -4.208 7.932 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.033 -4.133 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.122 -6.045 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.697 -6.781 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.487 -7.055 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.466 -5.335 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.330 -5.814 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.910 -4.901 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.905 -7.267 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.328 -7.884 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.427 -7.330 9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.704 -6.342 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.817 -5.718 9.628 1.00 0.00 H new ATOM 194 N ASP A 13 -5.858 -3.833 5.012 1.00 0.00 N ATOM 195 CA ASP A 13 -7.202 -3.993 4.377 1.00 0.00 C ATOM 196 C ASP A 13 -7.528 -2.746 3.547 1.00 0.00 C ATOM 197 O ASP A 13 -7.934 -2.849 2.410 1.00 0.00 O ATOM 198 CB ASP A 13 -8.263 -4.181 5.465 1.00 0.00 C ATOM 199 CG ASP A 13 -9.303 -5.200 4.995 1.00 0.00 C ATOM 200 OD1 ASP A 13 -8.932 -6.101 4.261 1.00 0.00 O ATOM 201 OD2 ASP A 13 -10.453 -5.063 5.378 1.00 0.00 O ATOM 0 H ASP A 13 -5.612 -2.874 5.259 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.195 -4.867 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.795 -4.523 6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.745 -3.229 5.685 1.00 0.00 H new ATOM 206 N LYS A 14 -7.337 -1.565 4.077 1.00 0.00 N ATOM 207 CA LYS A 14 -7.619 -0.356 3.266 1.00 0.00 C ATOM 208 C LYS A 14 -6.668 -0.380 2.084 1.00 0.00 C ATOM 209 O LYS A 14 -7.071 -0.382 0.939 1.00 0.00 O ATOM 210 CB LYS A 14 -7.355 0.893 4.096 1.00 0.00 C ATOM 211 CG LYS A 14 -7.981 2.126 3.431 1.00 0.00 C ATOM 212 CD LYS A 14 -7.546 2.245 1.960 1.00 0.00 C ATOM 213 CE LYS A 14 -6.019 2.252 1.856 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.538 3.665 1.911 1.00 0.00 N ATOM 0 H LYS A 14 -7.002 -1.392 5.025 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.658 -0.345 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.767 0.765 5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.281 1.040 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.068 2.061 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.687 3.024 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.953 1.413 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.951 3.160 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.583 1.673 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.702 1.782 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.505 3.676 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.791 4.152 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.983 4.152 2.715 1.00 0.00 H new ATOM 228 N LEU A 15 -5.393 -0.393 2.370 1.00 0.00 N ATOM 229 CA LEU A 15 -4.368 -0.407 1.284 1.00 0.00 C ATOM 230 C LEU A 15 -4.833 -1.342 0.175 1.00 0.00 C ATOM 231 O LEU A 15 -4.451 -1.206 -0.962 1.00 0.00 O ATOM 232 CB LEU A 15 -3.005 -0.873 1.812 1.00 0.00 C ATOM 233 CG LEU A 15 -3.138 -1.483 3.200 1.00 0.00 C ATOM 234 CD1 LEU A 15 -4.161 -2.602 3.172 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.794 -2.043 3.626 1.00 0.00 C ATOM 0 H LEU A 15 -5.014 -0.395 3.317 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.253 0.607 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.577 -1.606 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.316 -0.029 1.846 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.462 -0.717 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.253 -3.036 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.126 -2.205 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.840 -3.371 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.881 -2.482 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.478 -2.809 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.056 -1.241 3.647 1.00 0.00 H new ATOM 247 N LYS A 16 -5.665 -2.281 0.508 1.00 0.00 N ATOM 248 CA LYS A 16 -6.194 -3.222 -0.492 1.00 0.00 C ATOM 249 C LYS A 16 -7.329 -2.527 -1.235 1.00 0.00 C ATOM 250 O LYS A 16 -7.308 -2.379 -2.441 1.00 0.00 O ATOM 251 CB LYS A 16 -6.762 -4.414 0.282 1.00 0.00 C ATOM 252 CG LYS A 16 -5.910 -5.651 0.093 1.00 0.00 C ATOM 253 CD LYS A 16 -6.397 -6.742 1.048 1.00 0.00 C ATOM 254 CE LYS A 16 -5.820 -6.576 2.469 1.00 0.00 C ATOM 255 NZ LYS A 16 -4.928 -5.377 2.603 1.00 0.00 N ATOM 0 H LYS A 16 -6.005 -2.434 1.457 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.428 -3.543 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.819 -4.168 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.779 -4.616 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.973 -5.998 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.863 -5.420 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.486 -6.721 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.114 -7.719 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.641 -6.493 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.258 -7.472 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.363 -5.460 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.293 -5.323 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.509 -4.516 2.649 1.00 0.00 H new ATOM 269 N SER A 17 -8.314 -2.081 -0.505 1.00 0.00 N ATOM 270 CA SER A 17 -9.459 -1.368 -1.129 1.00 0.00 C ATOM 271 C SER A 17 -8.919 -0.403 -2.171 1.00 0.00 C ATOM 272 O SER A 17 -9.556 -0.096 -3.158 1.00 0.00 O ATOM 273 CB SER A 17 -10.191 -0.588 -0.053 1.00 0.00 C ATOM 274 OG SER A 17 -11.129 0.294 -0.652 1.00 0.00 O ATOM 0 H SER A 17 -8.373 -2.182 0.508 1.00 0.00 H new ATOM 0 HA SER A 17 -10.141 -2.077 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.703 -1.274 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.478 -0.023 0.547 1.00 0.00 H new ATOM 0 HG SER A 17 -11.600 0.794 0.047 1.00 0.00 H new ATOM 280 N GLU A 18 -7.737 0.072 -1.938 1.00 0.00 N ATOM 281 CA GLU A 18 -7.102 1.022 -2.879 1.00 0.00 C ATOM 282 C GLU A 18 -6.396 0.237 -3.996 1.00 0.00 C ATOM 283 O GLU A 18 -6.706 0.401 -5.157 1.00 0.00 O ATOM 284 CB GLU A 18 -6.087 1.860 -2.099 1.00 0.00 C ATOM 285 CG GLU A 18 -6.796 2.609 -0.959 1.00 0.00 C ATOM 286 CD GLU A 18 -7.772 3.631 -1.546 1.00 0.00 C ATOM 287 OE1 GLU A 18 -7.533 4.080 -2.655 1.00 0.00 O ATOM 288 OE2 GLU A 18 -8.742 3.945 -0.877 1.00 0.00 O ATOM 0 H GLU A 18 -7.173 -0.162 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.850 1.674 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.306 1.217 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.600 2.571 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.331 1.903 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.062 3.112 -0.329 1.00 0.00 H new ATOM 295 N LEU A 19 -5.434 -0.595 -3.658 1.00 0.00 N ATOM 296 CA LEU A 19 -4.696 -1.374 -4.704 1.00 0.00 C ATOM 297 C LEU A 19 -5.655 -1.800 -5.817 1.00 0.00 C ATOM 298 O LEU A 19 -5.347 -1.691 -6.987 1.00 0.00 O ATOM 299 CB LEU A 19 -4.061 -2.621 -4.079 1.00 0.00 C ATOM 300 CG LEU A 19 -2.724 -2.264 -3.448 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.601 -2.955 -2.094 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.633 -2.777 -4.363 1.00 0.00 C ATOM 0 H LEU A 19 -5.129 -0.767 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.915 -0.740 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.728 -3.040 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.920 -3.388 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.643 -1.186 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.643 -2.700 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.410 -2.625 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.662 -4.035 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.659 -2.536 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.726 -3.858 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.728 -2.307 -5.342 1.00 0.00 H new ATOM 314 N VAL A 20 -6.816 -2.277 -5.466 1.00 0.00 N ATOM 315 CA VAL A 20 -7.789 -2.695 -6.513 1.00 0.00 C ATOM 316 C VAL A 20 -8.074 -1.492 -7.416 1.00 0.00 C ATOM 317 O VAL A 20 -7.978 -1.568 -8.625 1.00 0.00 O ATOM 318 CB VAL A 20 -9.084 -3.165 -5.841 1.00 0.00 C ATOM 319 CG1 VAL A 20 -10.217 -3.202 -6.870 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.877 -4.568 -5.265 1.00 0.00 C ATOM 0 H VAL A 20 -7.133 -2.395 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.382 -3.513 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.346 -2.473 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.136 -3.537 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.366 -2.204 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.957 -3.892 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.797 -4.904 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.613 -5.256 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.073 -4.544 -4.529 1.00 0.00 H new ATOM 330 N ALA A 21 -8.421 -0.383 -6.827 1.00 0.00 N ATOM 331 CA ALA A 21 -8.714 0.842 -7.622 1.00 0.00 C ATOM 332 C ALA A 21 -7.435 1.364 -8.284 1.00 0.00 C ATOM 333 O ALA A 21 -7.477 2.237 -9.128 1.00 0.00 O ATOM 334 CB ALA A 21 -9.254 1.921 -6.683 1.00 0.00 C ATOM 0 H ALA A 21 -8.515 -0.271 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.445 0.601 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.473 2.824 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.166 1.564 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.509 2.146 -5.920 1.00 0.00 H new ATOM 340 N ASN A 22 -6.297 0.856 -7.899 1.00 0.00 N ATOM 341 CA ASN A 22 -5.024 1.351 -8.498 1.00 0.00 C ATOM 342 C ASN A 22 -4.382 0.251 -9.348 1.00 0.00 C ATOM 343 O ASN A 22 -3.211 -0.047 -9.229 1.00 0.00 O ATOM 344 CB ASN A 22 -4.082 1.785 -7.366 1.00 0.00 C ATOM 345 CG ASN A 22 -4.904 2.588 -6.346 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.439 3.628 -6.674 1.00 0.00 O ATOM 347 ND2 ASN A 22 -5.029 2.155 -5.119 1.00 0.00 N ATOM 0 H ASN A 22 -6.193 0.122 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.223 2.204 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.631 0.914 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.266 2.391 -7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.574 2.690 -4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.582 1.282 -4.838 1.00 0.00 H new ATOM 354 N ASN A 23 -5.157 -0.331 -10.220 1.00 0.00 N ATOM 355 CA ASN A 23 -4.652 -1.401 -11.136 1.00 0.00 C ATOM 356 C ASN A 23 -3.768 -2.422 -10.406 1.00 0.00 C ATOM 357 O ASN A 23 -2.625 -2.629 -10.761 1.00 0.00 O ATOM 358 CB ASN A 23 -3.856 -0.763 -12.280 1.00 0.00 C ATOM 359 CG ASN A 23 -2.698 0.061 -11.717 1.00 0.00 C ATOM 360 OD1 ASN A 23 -1.797 -0.474 -11.102 1.00 0.00 O ATOM 361 ND2 ASN A 23 -2.683 1.353 -11.901 1.00 0.00 N ATOM 0 H ASN A 23 -6.144 -0.106 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.519 -1.934 -11.526 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.472 -1.538 -12.943 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.509 -0.127 -12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.916 1.912 -11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.439 1.803 -12.417 1.00 0.00 H new ATOM 368 N VAL A 24 -4.300 -3.099 -9.423 1.00 0.00 N ATOM 369 CA VAL A 24 -3.503 -4.143 -8.716 1.00 0.00 C ATOM 370 C VAL A 24 -4.452 -5.257 -8.275 1.00 0.00 C ATOM 371 O VAL A 24 -5.215 -5.097 -7.343 1.00 0.00 O ATOM 372 CB VAL A 24 -2.803 -3.559 -7.486 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.886 -4.630 -6.888 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.961 -2.348 -7.899 1.00 0.00 C ATOM 0 H VAL A 24 -5.252 -2.974 -9.079 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.740 -4.529 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.546 -3.247 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.380 -4.227 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.480 -5.497 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.144 -4.929 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.464 -1.934 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.212 -2.657 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.607 -1.590 -8.341 1.00 0.00 H new ATOM 384 N THR A 25 -4.426 -6.381 -8.940 1.00 0.00 N ATOM 385 CA THR A 25 -5.338 -7.481 -8.554 1.00 0.00 C ATOM 386 C THR A 25 -5.067 -7.884 -7.110 1.00 0.00 C ATOM 387 O THR A 25 -4.028 -7.587 -6.552 1.00 0.00 O ATOM 388 CB THR A 25 -5.116 -8.685 -9.459 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.964 -8.478 -10.264 1.00 0.00 O ATOM 390 CG2 THR A 25 -6.340 -8.892 -10.352 1.00 0.00 C ATOM 0 H THR A 25 -3.813 -6.579 -9.731 1.00 0.00 H new ATOM 0 HA THR A 25 -6.368 -7.139 -8.655 1.00 0.00 H new ATOM 0 HB THR A 25 -4.966 -9.572 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.825 -9.257 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.177 -9.755 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.219 -9.065 -9.731 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.498 -8.004 -10.965 1.00 0.00 H new ATOM 398 N LEU A 26 -6.001 -8.550 -6.498 1.00 0.00 N ATOM 399 CA LEU A 26 -5.820 -8.974 -5.081 1.00 0.00 C ATOM 400 C LEU A 26 -5.755 -10.509 -5.031 1.00 0.00 C ATOM 401 O LEU A 26 -6.746 -11.168 -5.276 1.00 0.00 O ATOM 402 CB LEU A 26 -7.020 -8.500 -4.239 1.00 0.00 C ATOM 403 CG LEU A 26 -7.239 -6.978 -4.288 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.126 -6.377 -2.887 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.256 -6.267 -5.215 1.00 0.00 C ATOM 0 H LEU A 26 -6.889 -8.822 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.903 -8.540 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.922 -9.001 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.870 -8.805 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.242 -6.826 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.283 -5.300 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.880 -6.823 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.134 -6.579 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.459 -5.196 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.237 -6.445 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.369 -6.652 -6.229 1.00 0.00 H new ATOM 417 N PRO A 27 -4.595 -11.036 -4.724 1.00 0.00 N ATOM 418 CA PRO A 27 -4.386 -12.492 -4.648 1.00 0.00 C ATOM 419 C PRO A 27 -4.978 -13.062 -3.349 1.00 0.00 C ATOM 420 O PRO A 27 -6.139 -13.415 -3.291 1.00 0.00 O ATOM 421 CB PRO A 27 -2.859 -12.634 -4.670 1.00 0.00 C ATOM 422 CG PRO A 27 -2.290 -11.284 -4.183 1.00 0.00 C ATOM 423 CD PRO A 27 -3.390 -10.237 -4.425 1.00 0.00 C ATOM 0 HA PRO A 27 -4.872 -13.037 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.535 -13.449 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.505 -12.865 -5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.025 -11.332 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.382 -11.026 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.538 -9.606 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.135 -9.576 -5.254 1.00 0.00 H new ATOM 431 N ALA A 28 -4.188 -13.164 -2.313 1.00 0.00 N ATOM 432 CA ALA A 28 -4.710 -13.722 -1.031 1.00 0.00 C ATOM 433 C ALA A 28 -6.048 -13.066 -0.685 1.00 0.00 C ATOM 434 O ALA A 28 -6.475 -12.125 -1.323 1.00 0.00 O ATOM 435 CB ALA A 28 -3.707 -13.447 0.094 1.00 0.00 C ATOM 0 H ALA A 28 -3.207 -12.886 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.852 -14.797 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.089 -13.855 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.754 -13.919 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.564 -12.372 0.199 1.00 0.00 H new ATOM 441 N GLY A 29 -6.708 -13.553 0.331 1.00 0.00 N ATOM 442 CA GLY A 29 -8.017 -12.949 0.731 1.00 0.00 C ATOM 443 C GLY A 29 -7.789 -12.029 1.929 1.00 0.00 C ATOM 444 O GLY A 29 -7.417 -10.882 1.777 1.00 0.00 O ATOM 0 H GLY A 29 -6.401 -14.341 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.443 -12.387 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.731 -13.732 0.987 1.00 0.00 H new ATOM 448 N GLU A 30 -7.994 -12.518 3.122 1.00 0.00 N ATOM 449 CA GLU A 30 -7.768 -11.658 4.314 1.00 0.00 C ATOM 450 C GLU A 30 -6.380 -11.016 4.180 1.00 0.00 C ATOM 451 O GLU A 30 -6.257 -9.825 3.972 1.00 0.00 O ATOM 452 CB GLU A 30 -7.882 -12.517 5.594 1.00 0.00 C ATOM 453 CG GLU A 30 -6.781 -12.159 6.601 1.00 0.00 C ATOM 454 CD GLU A 30 -7.218 -12.583 8.006 1.00 0.00 C ATOM 455 OE1 GLU A 30 -7.253 -13.775 8.258 1.00 0.00 O ATOM 456 OE2 GLU A 30 -7.511 -11.707 8.803 1.00 0.00 O ATOM 0 H GLU A 30 -8.306 -13.469 3.320 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.516 -10.868 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.860 -12.366 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.812 -13.573 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.850 -12.658 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.586 -11.087 6.577 1.00 0.00 H new ATOM 463 N GLN A 31 -5.335 -11.796 4.267 1.00 0.00 N ATOM 464 CA GLN A 31 -3.970 -11.229 4.110 1.00 0.00 C ATOM 465 C GLN A 31 -2.931 -12.337 4.296 1.00 0.00 C ATOM 466 O GLN A 31 -2.899 -13.018 5.301 1.00 0.00 O ATOM 467 CB GLN A 31 -3.746 -10.091 5.126 1.00 0.00 C ATOM 468 CG GLN A 31 -2.261 -9.735 5.259 1.00 0.00 C ATOM 469 CD GLN A 31 -1.667 -10.538 6.420 1.00 0.00 C ATOM 470 OE1 GLN A 31 -1.281 -11.674 6.256 1.00 0.00 O ATOM 471 NE2 GLN A 31 -1.584 -9.989 7.600 1.00 0.00 N ATOM 0 H GLN A 31 -5.371 -12.801 4.440 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.864 -10.813 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.305 -9.209 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.137 -10.389 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.733 -9.963 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.143 -8.666 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.908 -9.032 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.195 -10.516 8.382 1.00 0.00 H new ATOM 480 N ARG A 32 -2.081 -12.513 3.324 1.00 0.00 N ATOM 481 CA ARG A 32 -1.033 -13.540 3.391 1.00 0.00 C ATOM 482 C ARG A 32 -0.134 -13.230 4.596 1.00 0.00 C ATOM 483 O ARG A 32 0.023 -14.023 5.503 1.00 0.00 O ATOM 484 CB ARG A 32 -0.272 -13.435 2.054 1.00 0.00 C ATOM 485 CG ARG A 32 1.212 -13.156 2.274 1.00 0.00 C ATOM 486 CD ARG A 32 1.995 -13.506 1.004 1.00 0.00 C ATOM 487 NE ARG A 32 2.226 -14.977 0.953 1.00 0.00 N ATOM 488 CZ ARG A 32 1.731 -15.682 -0.027 1.00 0.00 C ATOM 489 NH1 ARG A 32 1.875 -15.277 -1.259 1.00 0.00 N ATOM 490 NH2 ARG A 32 1.093 -16.792 0.224 1.00 0.00 N ATOM 0 H ARG A 32 -2.079 -11.965 2.464 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.415 -14.552 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.389 -14.363 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.707 -12.640 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.361 -12.106 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.582 -13.743 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.442 -13.183 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.948 -12.977 0.994 1.00 0.00 H new ATOM 0 HE ARG A 32 2.771 -15.433 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.374 -14.410 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.488 -15.828 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.981 -17.109 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.706 -17.343 -0.543 1.00 0.00 H new ATOM 504 N LYS A 33 0.439 -12.064 4.590 1.00 0.00 N ATOM 505 CA LYS A 33 1.327 -11.624 5.700 1.00 0.00 C ATOM 506 C LYS A 33 1.850 -10.245 5.316 1.00 0.00 C ATOM 507 O LYS A 33 2.919 -10.121 4.754 1.00 0.00 O ATOM 508 CB LYS A 33 2.495 -12.601 5.850 1.00 0.00 C ATOM 509 CG LYS A 33 2.305 -13.430 7.122 1.00 0.00 C ATOM 510 CD LYS A 33 2.824 -12.642 8.327 1.00 0.00 C ATOM 511 CE LYS A 33 2.323 -13.294 9.618 1.00 0.00 C ATOM 512 NZ LYS A 33 2.496 -12.345 10.753 1.00 0.00 N ATOM 0 H LYS A 33 0.327 -11.378 3.843 1.00 0.00 H new ATOM 0 HA LYS A 33 0.790 -11.593 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.549 -13.256 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.437 -12.054 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.251 -13.670 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.839 -14.376 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.914 -12.619 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.483 -11.608 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.273 -13.568 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.875 -14.214 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.156 -12.788 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.503 -12.105 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.950 -11.479 10.568 1.00 0.00 H new ATOM 526 N ASP A 34 1.095 -9.207 5.557 1.00 0.00 N ATOM 527 CA ASP A 34 1.579 -7.870 5.127 1.00 0.00 C ATOM 528 C ASP A 34 1.796 -7.945 3.614 1.00 0.00 C ATOM 529 O ASP A 34 2.721 -7.374 3.077 1.00 0.00 O ATOM 530 CB ASP A 34 2.908 -7.550 5.825 1.00 0.00 C ATOM 531 CG ASP A 34 2.775 -6.235 6.597 1.00 0.00 C ATOM 532 OD1 ASP A 34 2.309 -6.278 7.724 1.00 0.00 O ATOM 533 OD2 ASP A 34 3.141 -5.210 6.048 1.00 0.00 O ATOM 0 H ASP A 34 0.187 -9.226 6.021 1.00 0.00 H new ATOM 0 HA ASP A 34 0.862 -7.091 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.178 -8.358 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.708 -7.473 5.089 1.00 0.00 H new ATOM 538 N VAL A 35 0.948 -8.674 2.927 1.00 0.00 N ATOM 539 CA VAL A 35 1.099 -8.817 1.456 1.00 0.00 C ATOM 540 C VAL A 35 0.636 -7.560 0.758 1.00 0.00 C ATOM 541 O VAL A 35 1.194 -7.169 -0.226 1.00 0.00 O ATOM 542 CB VAL A 35 0.243 -9.962 0.941 1.00 0.00 C ATOM 543 CG1 VAL A 35 -1.224 -9.566 1.009 1.00 0.00 C ATOM 544 CG2 VAL A 35 0.607 -10.221 -0.516 1.00 0.00 C ATOM 0 H VAL A 35 0.157 -9.176 3.330 1.00 0.00 H new ATOM 0 HA VAL A 35 2.153 -9.007 1.251 1.00 0.00 H new ATOM 0 HB VAL A 35 0.414 -10.853 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.840 -10.386 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.494 -9.346 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.391 -8.682 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.001 -11.041 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.418 -9.322 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.662 -10.485 -0.586 1.00 0.00 H new ATOM 554 N TYR A 36 -0.411 -6.964 1.237 1.00 0.00 N ATOM 555 CA TYR A 36 -0.949 -5.760 0.594 1.00 0.00 C ATOM 556 C TYR A 36 -0.137 -4.560 1.021 1.00 0.00 C ATOM 557 O TYR A 36 -0.020 -3.586 0.308 1.00 0.00 O ATOM 558 CB TYR A 36 -2.369 -5.625 1.058 1.00 0.00 C ATOM 559 CG TYR A 36 -3.103 -6.857 0.633 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.532 -7.004 -0.689 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.348 -7.859 1.567 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.218 -8.160 -1.072 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.029 -9.010 1.189 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.470 -9.165 -0.131 1.00 0.00 C ATOM 565 OH TYR A 36 -5.147 -10.308 -0.504 1.00 0.00 O ATOM 0 H TYR A 36 -0.922 -7.272 2.064 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.904 -5.827 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.409 -5.510 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.830 -4.737 0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.334 -6.227 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.009 -7.742 2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.553 -8.278 -2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.219 -9.787 1.915 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.707 -10.116 -1.285 1.00 0.00 H new ATOM 575 N VAL A 37 0.440 -4.630 2.177 1.00 0.00 N ATOM 576 CA VAL A 37 1.263 -3.503 2.641 1.00 0.00 C ATOM 577 C VAL A 37 2.583 -3.546 1.852 1.00 0.00 C ATOM 578 O VAL A 37 2.983 -2.589 1.228 1.00 0.00 O ATOM 579 CB VAL A 37 1.509 -3.650 4.145 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.467 -2.554 4.620 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.173 -3.515 4.886 1.00 0.00 C ATOM 0 H VAL A 37 0.375 -5.420 2.819 1.00 0.00 H new ATOM 0 HA VAL A 37 0.769 -2.545 2.475 1.00 0.00 H new ATOM 0 HB VAL A 37 1.949 -4.626 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.640 -2.661 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.414 -2.643 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.029 -1.576 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.340 -3.619 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.261 -2.537 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.511 -4.294 4.548 1.00 0.00 H new ATOM 591 N GLN A 38 3.243 -4.670 1.838 1.00 0.00 N ATOM 592 CA GLN A 38 4.501 -4.779 1.051 1.00 0.00 C ATOM 593 C GLN A 38 4.135 -4.672 -0.433 1.00 0.00 C ATOM 594 O GLN A 38 4.732 -3.931 -1.185 1.00 0.00 O ATOM 595 CB GLN A 38 5.148 -6.147 1.330 1.00 0.00 C ATOM 596 CG GLN A 38 6.667 -6.099 1.135 1.00 0.00 C ATOM 597 CD GLN A 38 7.199 -7.522 0.969 1.00 0.00 C ATOM 598 OE1 GLN A 38 8.260 -7.724 0.413 1.00 0.00 O ATOM 599 NE2 GLN A 38 6.505 -8.523 1.431 1.00 0.00 N ATOM 0 H GLN A 38 2.966 -5.516 2.336 1.00 0.00 H new ATOM 0 HA GLN A 38 5.203 -3.991 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.921 -6.457 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.718 -6.896 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.914 -5.501 0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.140 -5.619 1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.614 -8.354 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.853 -9.476 1.326 1.00 0.00 H new ATOM 608 N LEU A 39 3.130 -5.403 -0.841 1.00 0.00 N ATOM 609 CA LEU A 39 2.674 -5.345 -2.278 1.00 0.00 C ATOM 610 C LEU A 39 2.650 -3.878 -2.688 1.00 0.00 C ATOM 611 O LEU A 39 3.274 -3.462 -3.641 1.00 0.00 O ATOM 612 CB LEU A 39 1.238 -5.910 -2.422 1.00 0.00 C ATOM 613 CG LEU A 39 1.261 -7.375 -2.834 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.100 -8.008 -2.530 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.498 -7.436 -4.338 1.00 0.00 C ATOM 0 H LEU A 39 2.600 -6.040 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 39 3.348 -5.935 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.706 -5.804 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.689 -5.330 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 39 2.043 -7.907 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.087 -9.058 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.306 -7.933 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.877 -7.485 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.519 -8.477 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.694 -6.912 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.451 -6.963 -4.576 1.00 0.00 H new ATOM 627 N TYR A 40 1.917 -3.103 -1.948 1.00 0.00 N ATOM 628 CA TYR A 40 1.790 -1.658 -2.217 1.00 0.00 C ATOM 629 C TYR A 40 3.159 -1.005 -2.430 1.00 0.00 C ATOM 630 O TYR A 40 3.377 -0.298 -3.388 1.00 0.00 O ATOM 631 CB TYR A 40 1.089 -1.046 -0.989 1.00 0.00 C ATOM 632 CG TYR A 40 1.925 0.062 -0.349 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.318 1.190 -1.089 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.320 -0.060 0.981 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.090 2.188 -0.489 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.096 0.936 1.575 1.00 0.00 C ATOM 637 CZ TYR A 40 3.475 2.062 0.843 1.00 0.00 C ATOM 638 OH TYR A 40 4.233 3.050 1.438 1.00 0.00 O ATOM 0 H TYR A 40 1.384 -3.427 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 40 1.220 -1.489 -3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.120 -0.644 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.898 -1.827 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.023 1.286 -2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.025 -0.927 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.388 3.056 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.404 0.835 2.605 1.00 0.00 H new ATOM 0 HH TYR A 40 4.602 2.716 2.282 1.00 0.00 H new ATOM 648 N LEU A 41 4.063 -1.181 -1.517 1.00 0.00 N ATOM 649 CA LEU A 41 5.377 -0.493 -1.671 1.00 0.00 C ATOM 650 C LEU A 41 6.103 -1.069 -2.896 1.00 0.00 C ATOM 651 O LEU A 41 6.973 -0.447 -3.463 1.00 0.00 O ATOM 652 CB LEU A 41 6.240 -0.642 -0.388 1.00 0.00 C ATOM 653 CG LEU A 41 7.057 0.635 -0.146 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.195 1.663 0.619 1.00 0.00 C ATOM 655 CD2 LEU A 41 8.292 0.293 0.689 1.00 0.00 C ATOM 0 H LEU A 41 3.959 -1.759 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 41 5.209 0.573 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.597 -0.839 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.909 -1.497 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 41 7.363 1.057 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.776 2.569 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.310 1.905 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.890 1.241 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.875 1.197 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.980 -0.127 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.902 -0.435 0.155 1.00 0.00 H new ATOM 667 N GLN A 42 5.739 -2.247 -3.320 1.00 0.00 N ATOM 668 CA GLN A 42 6.406 -2.859 -4.509 1.00 0.00 C ATOM 669 C GLN A 42 5.894 -2.230 -5.817 1.00 0.00 C ATOM 670 O GLN A 42 6.646 -1.634 -6.562 1.00 0.00 O ATOM 671 CB GLN A 42 6.122 -4.357 -4.526 1.00 0.00 C ATOM 672 CG GLN A 42 7.413 -5.119 -4.830 1.00 0.00 C ATOM 673 CD GLN A 42 8.470 -4.770 -3.776 1.00 0.00 C ATOM 674 OE1 GLN A 42 8.138 -4.403 -2.667 1.00 0.00 O ATOM 675 NE2 GLN A 42 9.738 -4.867 -4.077 1.00 0.00 N ATOM 0 H GLN A 42 5.007 -2.816 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 42 7.478 -2.677 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.719 -4.672 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.367 -4.586 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.224 -6.192 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.776 -4.860 -5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.019 -5.175 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.447 -4.635 -3.381 1.00 0.00 H new ATOM 684 N HIS A 43 4.628 -2.379 -6.113 1.00 0.00 N ATOM 685 CA HIS A 43 4.074 -1.812 -7.385 1.00 0.00 C ATOM 686 C HIS A 43 3.798 -0.330 -7.223 1.00 0.00 C ATOM 687 O HIS A 43 4.013 0.461 -8.119 1.00 0.00 O ATOM 688 CB HIS A 43 2.740 -2.483 -7.700 1.00 0.00 C ATOM 689 CG HIS A 43 2.773 -3.900 -7.239 1.00 0.00 C ATOM 690 ND1 HIS A 43 3.215 -4.941 -8.040 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.424 -4.459 -6.047 1.00 0.00 C ATOM 692 CE1 HIS A 43 3.121 -6.070 -7.316 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.643 -5.832 -6.091 1.00 0.00 N ATOM 0 H HIS A 43 3.951 -2.870 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 43 4.802 -1.981 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.927 -1.949 -7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.545 -2.443 -8.772 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.550 -4.865 -9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.036 -3.918 -5.196 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.398 -7.049 -7.680 1.00 0.00 H new ATOM 701 N LEU A 44 3.285 0.043 -6.095 1.00 0.00 N ATOM 702 CA LEU A 44 2.951 1.467 -5.880 1.00 0.00 C ATOM 703 C LEU A 44 4.183 2.216 -5.341 1.00 0.00 C ATOM 704 O LEU A 44 4.252 3.427 -5.412 1.00 0.00 O ATOM 705 CB LEU A 44 1.761 1.571 -4.914 1.00 0.00 C ATOM 706 CG LEU A 44 0.475 0.857 -5.452 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.695 1.815 -5.336 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.554 0.510 -6.934 1.00 0.00 C ATOM 0 H LEU A 44 3.082 -0.577 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 44 2.666 1.930 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.039 1.134 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.538 2.622 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 44 0.367 -0.056 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.599 1.332 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.835 2.094 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.493 2.709 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.368 0.018 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.690 1.422 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.397 -0.159 -7.107 1.00 0.00 H new ATOM 720 N THR A 45 5.182 1.514 -4.856 1.00 0.00 N ATOM 721 CA THR A 45 6.418 2.203 -4.385 1.00 0.00 C ATOM 722 C THR A 45 6.119 3.476 -3.605 1.00 0.00 C ATOM 723 O THR A 45 6.957 4.350 -3.518 1.00 0.00 O ATOM 724 CB THR A 45 7.229 2.590 -5.611 1.00 0.00 C ATOM 725 OG1 THR A 45 6.456 2.348 -6.779 1.00 0.00 O ATOM 726 CG2 THR A 45 8.502 1.752 -5.659 1.00 0.00 C ATOM 0 H THR A 45 5.191 0.498 -4.768 1.00 0.00 H new ATOM 0 HA THR A 45 6.951 1.521 -3.723 1.00 0.00 H new ATOM 0 HB THR A 45 7.492 3.647 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.975 2.598 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.086 2.027 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.091 1.933 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.240 0.695 -5.714 1.00 0.00 H new ATOM 734 N ALA A 46 4.957 3.621 -3.051 1.00 0.00 N ATOM 735 CA ALA A 46 4.675 4.875 -2.315 1.00 0.00 C ATOM 736 C ALA A 46 5.079 6.040 -3.219 1.00 0.00 C ATOM 737 O ALA A 46 5.933 6.838 -2.894 1.00 0.00 O ATOM 738 CB ALA A 46 5.486 4.929 -1.020 1.00 0.00 C ATOM 0 H ALA A 46 4.200 2.938 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 46 3.618 4.928 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.267 5.857 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.221 4.081 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.550 4.888 -1.255 1.00 0.00 H new ATOM 744 N ARG A 47 4.448 6.099 -4.353 1.00 0.00 N ATOM 745 CA ARG A 47 4.693 7.150 -5.387 1.00 0.00 C ATOM 746 C ARG A 47 5.577 8.299 -4.871 1.00 0.00 C ATOM 747 O ARG A 47 6.765 8.324 -5.129 1.00 0.00 O ATOM 748 CB ARG A 47 3.317 7.741 -5.757 1.00 0.00 C ATOM 749 CG ARG A 47 2.190 7.019 -4.971 1.00 0.00 C ATOM 750 CD ARG A 47 1.752 5.746 -5.713 1.00 0.00 C ATOM 751 NE ARG A 47 0.982 6.120 -6.933 1.00 0.00 N ATOM 752 CZ ARG A 47 0.812 5.248 -7.890 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.300 5.478 -9.077 1.00 0.00 N ATOM 754 NH2 ARG A 47 0.153 4.147 -7.657 1.00 0.00 N ATOM 0 H ARG A 47 3.732 5.425 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 47 5.209 6.693 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.300 8.808 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.146 7.638 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.541 6.763 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.338 7.687 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.625 5.155 -5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.139 5.125 -5.060 1.00 0.00 H new ATOM 0 HE ARG A 47 0.588 7.057 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.815 6.340 -9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.167 4.796 -9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.229 3.968 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.019 3.465 -8.404 1.00 0.00 H new ATOM 768 N ASN A 48 5.032 9.260 -4.175 1.00 0.00 N ATOM 769 CA ASN A 48 5.891 10.393 -3.700 1.00 0.00 C ATOM 770 C ASN A 48 6.513 10.054 -2.343 1.00 0.00 C ATOM 771 O ASN A 48 6.069 10.520 -1.312 1.00 0.00 O ATOM 772 CB ASN A 48 5.069 11.691 -3.590 1.00 0.00 C ATOM 773 CG ASN A 48 3.702 11.496 -4.218 1.00 0.00 C ATOM 774 OD1 ASN A 48 2.692 11.856 -3.647 1.00 0.00 O ATOM 775 ND2 ASN A 48 3.633 10.943 -5.389 1.00 0.00 N ATOM 0 H ASN A 48 4.047 9.314 -3.916 1.00 0.00 H new ATOM 0 HA ASN A 48 6.687 10.546 -4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.960 11.974 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.594 12.506 -4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.726 10.808 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.485 10.643 -5.862 1.00 0.00 H new