USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 278 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 161:sc= -1.2 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.39 F(o=-2.6,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.0166 (180deg=-0.648) USER MOD Single : A 29 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.7) USER MOD Single : A 33 GLN : amide:sc= -2.78! X(o=-2.8!,f=-2.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 2.161 -6.640 -2.833 1.00 0.00 N ATOM 43 CA TYR A 5 2.981 -5.491 -2.484 1.00 0.00 C ATOM 44 C TYR A 5 4.163 -5.898 -1.615 1.00 0.00 C ATOM 45 O TYR A 5 5.238 -5.304 -1.696 1.00 0.00 O ATOM 46 CB TYR A 5 2.137 -4.452 -1.758 1.00 0.00 C ATOM 47 CG TYR A 5 0.878 -4.084 -2.501 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.339 -4.663 -2.171 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.906 -3.153 -3.526 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.494 -4.324 -2.845 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.239 -2.809 -4.206 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.439 -3.394 -3.863 1.00 0.00 C ATOM 53 OH TYR A 5 -2.588 -3.051 -4.539 1.00 0.00 O ATOM 0 HA TYR A 5 3.372 -5.062 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.871 -4.834 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.734 -3.554 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.383 -5.390 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.843 -2.689 -3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.434 -4.783 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.198 -2.084 -5.005 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.377 -2.383 -5.224 1.00 0.00 H new ATOM 63 N SER A 6 3.960 -6.919 -0.790 1.00 0.00 N ATOM 64 CA SER A 6 5.013 -7.409 0.090 1.00 0.00 C ATOM 65 C SER A 6 6.296 -7.671 -0.698 1.00 0.00 C ATOM 66 O SER A 6 7.396 -7.621 -0.147 1.00 0.00 O ATOM 67 CB SER A 6 4.552 -8.680 0.804 1.00 0.00 C ATOM 68 OG SER A 6 5.575 -9.199 1.635 1.00 0.00 O ATOM 0 H SER A 6 3.076 -7.423 -0.713 1.00 0.00 H new ATOM 0 HA SER A 6 5.225 -6.645 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.668 -8.464 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.262 -9.430 0.068 1.00 0.00 H new ATOM 0 HG SER A 6 5.254 -10.010 2.081 1.00 0.00 H new ATOM 74 N SER A 7 6.145 -7.933 -1.995 1.00 0.00 N ATOM 75 CA SER A 7 7.288 -8.183 -2.868 1.00 0.00 C ATOM 76 C SER A 7 7.663 -6.911 -3.628 1.00 0.00 C ATOM 77 O SER A 7 8.820 -6.717 -4.003 1.00 0.00 O ATOM 78 CB SER A 7 6.967 -9.308 -3.855 1.00 0.00 C ATOM 79 OG SER A 7 7.442 -10.554 -3.378 1.00 0.00 O ATOM 0 H SER A 7 5.240 -7.977 -2.464 1.00 0.00 H new ATOM 0 HA SER A 7 8.134 -8.487 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.890 -9.362 -4.012 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.420 -9.088 -4.822 1.00 0.00 H new ATOM 0 HG SER A 7 7.223 -11.257 -4.025 1.00 0.00 H new ATOM 85 N LEU A 8 6.674 -6.045 -3.842 1.00 0.00 N ATOM 86 CA LEU A 8 6.887 -4.784 -4.545 1.00 0.00 C ATOM 87 C LEU A 8 7.929 -3.934 -3.818 1.00 0.00 C ATOM 88 O LEU A 8 8.698 -4.447 -3.004 1.00 0.00 O ATOM 89 CB LEU A 8 5.559 -4.026 -4.648 1.00 0.00 C ATOM 90 CG LEU A 8 4.981 -3.902 -6.060 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.795 -4.836 -6.226 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.569 -2.465 -6.346 1.00 0.00 C ATOM 0 H LEU A 8 5.713 -6.196 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 8 7.260 -4.994 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.825 -4.526 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.700 -3.024 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 8 5.753 -4.186 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.393 -4.738 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.116 -5.865 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.023 -4.577 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.161 -2.397 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.812 -2.153 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.439 -1.814 -6.262 1.00 0.00 H new ATOM 104 N THR A 9 7.949 -2.632 -4.105 1.00 0.00 N ATOM 105 CA THR A 9 8.896 -1.726 -3.463 1.00 0.00 C ATOM 106 C THR A 9 8.164 -0.716 -2.589 1.00 0.00 C ATOM 107 O THR A 9 6.973 -0.464 -2.773 1.00 0.00 O ATOM 108 CB THR A 9 9.751 -0.996 -4.506 1.00 0.00 C ATOM 109 OG1 THR A 9 10.172 0.266 -4.017 1.00 0.00 O ATOM 110 CG2 THR A 9 9.037 -0.761 -5.821 1.00 0.00 C ATOM 0 H THR A 9 7.323 -2.185 -4.775 1.00 0.00 H new ATOM 0 HA THR A 9 9.555 -2.323 -2.833 1.00 0.00 H new ATOM 0 HB THR A 9 10.599 -1.656 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.940 0.579 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.703 -0.240 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.746 -1.718 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.148 -0.155 -5.649 1.00 0.00 H new ATOM 118 N VAL A 10 8.887 -0.137 -1.644 1.00 0.00 N ATOM 119 CA VAL A 10 8.315 0.849 -0.739 1.00 0.00 C ATOM 120 C VAL A 10 7.881 2.096 -1.494 1.00 0.00 C ATOM 121 O VAL A 10 6.927 2.763 -1.107 1.00 0.00 O ATOM 122 CB VAL A 10 9.326 1.263 0.343 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.555 0.130 1.332 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.633 1.699 -0.304 1.00 0.00 C ATOM 0 H VAL A 10 9.875 -0.333 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 10 7.449 0.383 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 10 8.918 2.107 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.274 0.447 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.612 -0.129 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.943 -0.741 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.343 1.990 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.046 0.873 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.447 2.547 -0.964 1.00 0.00 H new ATOM 134 N VAL A 11 8.597 2.411 -2.570 1.00 0.00 N ATOM 135 CA VAL A 11 8.294 3.588 -3.375 1.00 0.00 C ATOM 136 C VAL A 11 6.991 3.413 -4.140 1.00 0.00 C ATOM 137 O VAL A 11 6.154 4.315 -4.186 1.00 0.00 O ATOM 138 CB VAL A 11 9.435 3.895 -4.370 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.777 3.780 -3.676 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.382 2.969 -5.577 1.00 0.00 C ATOM 0 H VAL A 11 9.392 1.866 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 11 8.190 4.426 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 11 9.305 4.916 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.574 3.998 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.822 4.491 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.902 2.768 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.198 3.211 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.480 1.935 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.430 3.097 -6.092 1.00 0.00 H new ATOM 150 N GLN A 12 6.827 2.242 -4.735 1.00 0.00 N ATOM 151 CA GLN A 12 5.629 1.943 -5.499 1.00 0.00 C ATOM 152 C GLN A 12 4.457 1.723 -4.565 1.00 0.00 C ATOM 153 O GLN A 12 3.328 2.109 -4.865 1.00 0.00 O ATOM 154 CB GLN A 12 5.844 0.705 -6.367 1.00 0.00 C ATOM 155 CG GLN A 12 6.904 0.892 -7.441 1.00 0.00 C ATOM 156 CD GLN A 12 7.086 -0.342 -8.302 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.335 -0.666 -8.614 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.115 -0.996 -8.682 1.00 0.00 N flip ATOM 0 H GLN A 12 7.509 1.484 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 12 5.412 2.791 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.129 -0.131 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.901 0.436 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.629 1.735 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.854 1.144 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.172 -0.710 -8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.253 -1.824 -9.261 1.00 0.00 H new ATOM 167 N LEU A 13 4.739 1.101 -3.428 1.00 0.00 N ATOM 168 CA LEU A 13 3.715 0.822 -2.438 1.00 0.00 C ATOM 169 C LEU A 13 3.082 2.107 -1.921 1.00 0.00 C ATOM 170 O LEU A 13 1.868 2.279 -1.985 1.00 0.00 O ATOM 171 CB LEU A 13 4.303 0.019 -1.279 1.00 0.00 C ATOM 172 CG LEU A 13 3.941 -1.464 -1.278 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.961 -2.255 -2.076 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.848 -1.993 0.143 1.00 0.00 C ATOM 0 H LEU A 13 5.672 0.780 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 13 2.935 0.232 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.389 0.113 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.966 0.461 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 13 2.965 -1.581 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.691 -3.311 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.978 -1.894 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.948 -2.129 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.589 -3.052 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.808 -1.865 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.080 -1.443 0.687 1.00 0.00 H new ATOM 186 N LYS A 14 3.904 3.007 -1.403 1.00 0.00 N ATOM 187 CA LYS A 14 3.399 4.264 -0.874 1.00 0.00 C ATOM 188 C LYS A 14 2.895 5.173 -1.992 1.00 0.00 C ATOM 189 O LYS A 14 1.973 5.959 -1.787 1.00 0.00 O ATOM 190 CB LYS A 14 4.478 4.975 -0.063 1.00 0.00 C ATOM 191 CG LYS A 14 5.665 5.430 -0.893 1.00 0.00 C ATOM 192 CD LYS A 14 6.676 6.207 -0.061 1.00 0.00 C ATOM 193 CE LYS A 14 6.003 7.234 0.840 1.00 0.00 C ATOM 194 NZ LYS A 14 6.810 8.480 0.966 1.00 0.00 N ATOM 0 H LYS A 14 4.915 2.892 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 14 2.558 4.035 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.037 5.841 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.830 4.306 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.151 4.562 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.315 6.054 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.254 5.513 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.380 6.711 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.019 7.478 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.846 6.802 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.316 9.152 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.740 8.252 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.938 8.907 0.026 1.00 0.00 H new ATOM 208 N ASP A 15 3.493 5.060 -3.176 1.00 0.00 N ATOM 209 CA ASP A 15 3.080 5.878 -4.310 1.00 0.00 C ATOM 210 C ASP A 15 1.649 5.533 -4.710 1.00 0.00 C ATOM 211 O ASP A 15 0.783 6.408 -4.819 1.00 0.00 O ATOM 212 CB ASP A 15 4.031 5.667 -5.492 1.00 0.00 C ATOM 213 CG ASP A 15 3.657 6.511 -6.695 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.252 7.677 -6.499 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.769 6.008 -7.832 1.00 0.00 O ATOM 0 H ASP A 15 4.259 4.415 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 15 3.119 6.928 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.048 5.910 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.026 4.614 -5.775 1.00 0.00 H new ATOM 220 N LEU A 16 1.399 4.246 -4.895 1.00 0.00 N ATOM 221 CA LEU A 16 0.075 3.775 -5.249 1.00 0.00 C ATOM 222 C LEU A 16 -0.874 4.027 -4.088 1.00 0.00 C ATOM 223 O LEU A 16 -2.069 4.259 -4.277 1.00 0.00 O ATOM 224 CB LEU A 16 0.130 2.283 -5.623 1.00 0.00 C ATOM 225 CG LEU A 16 -0.385 1.291 -4.567 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.248 0.219 -5.206 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.775 0.656 -3.824 1.00 0.00 C ATOM 0 H LEU A 16 2.099 3.510 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.295 4.319 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.447 2.139 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.164 2.028 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.997 1.844 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.600 -0.470 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.103 0.684 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.661 -0.328 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.392 -0.043 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.411 0.122 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.357 1.432 -3.326 1.00 0.00 H new ATOM 239 N LEU A 17 -0.323 3.966 -2.879 1.00 0.00 N ATOM 240 CA LEU A 17 -1.101 4.175 -1.671 1.00 0.00 C ATOM 241 C LEU A 17 -1.752 5.544 -1.664 1.00 0.00 C ATOM 242 O LEU A 17 -2.973 5.664 -1.566 1.00 0.00 O ATOM 243 CB LEU A 17 -0.190 4.061 -0.460 1.00 0.00 C ATOM 244 CG LEU A 17 -0.068 2.670 0.128 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.968 2.669 1.241 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.424 2.195 0.629 1.00 0.00 C ATOM 0 H LEU A 17 0.665 3.772 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.883 3.417 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.805 4.408 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.556 4.735 0.315 1.00 0.00 H new ATOM 0 HG LEU A 17 0.265 1.976 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.051 1.666 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.934 2.976 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.663 3.364 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.326 1.194 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.788 2.878 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.131 2.172 -0.200 1.00 0.00 H new ATOM 258 N THR A 18 -0.930 6.579 -1.796 1.00 0.00 N ATOM 259 CA THR A 18 -1.448 7.939 -1.829 1.00 0.00 C ATOM 260 C THR A 18 -2.345 8.087 -3.044 1.00 0.00 C ATOM 261 O THR A 18 -3.314 8.845 -3.029 1.00 0.00 O ATOM 262 CB THR A 18 -0.322 8.987 -1.847 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.670 10.091 -2.665 1.00 0.00 O ATOM 264 CG2 THR A 18 1.005 8.459 -2.341 1.00 0.00 C ATOM 0 H THR A 18 0.084 6.504 -1.881 1.00 0.00 H new ATOM 0 HA THR A 18 -2.020 8.118 -0.919 1.00 0.00 H new ATOM 0 HB THR A 18 -0.206 9.281 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.060 10.745 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.745 9.259 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.335 7.645 -1.696 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.893 8.091 -3.361 1.00 0.00 H new ATOM 272 N LYS A 19 -2.027 7.328 -4.092 1.00 0.00 N ATOM 273 CA LYS A 19 -2.825 7.353 -5.302 1.00 0.00 C ATOM 274 C LYS A 19 -4.243 6.866 -5.002 1.00 0.00 C ATOM 275 O LYS A 19 -5.211 7.337 -5.598 1.00 0.00 O ATOM 276 CB LYS A 19 -2.185 6.485 -6.385 1.00 0.00 C ATOM 277 CG LYS A 19 -1.276 7.258 -7.326 1.00 0.00 C ATOM 278 CD LYS A 19 -0.447 6.322 -8.192 1.00 0.00 C ATOM 279 CE LYS A 19 0.051 7.020 -9.445 1.00 0.00 C ATOM 280 NZ LYS A 19 0.959 6.150 -10.241 1.00 0.00 N ATOM 0 H LYS A 19 -1.228 6.695 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.872 8.379 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.610 5.690 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.972 6.005 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.877 7.908 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.614 7.902 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.403 5.951 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.047 5.455 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.800 7.315 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.575 7.934 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.277 6.663 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.784 5.889 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.451 5.289 -10.528 1.00 0.00 H new ATOM 351 N SER A 23 -3.174 6.280 2.207 1.00 0.00 N ATOM 352 CA SER A 23 -2.036 6.913 2.875 1.00 0.00 C ATOM 353 C SER A 23 -0.847 5.974 2.914 1.00 0.00 C ATOM 354 O SER A 23 -0.900 4.850 2.416 1.00 0.00 O ATOM 355 CB SER A 23 -2.350 7.354 4.302 1.00 0.00 C ATOM 356 OG SER A 23 -2.999 8.614 4.322 1.00 0.00 O ATOM 0 HA SER A 23 -1.805 7.802 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.983 6.609 4.784 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.427 7.409 4.879 1.00 0.00 H new ATOM 0 HG SER A 23 -3.189 8.869 5.249 1.00 0.00 H new ATOM 362 N VAL A 24 0.231 6.457 3.507 1.00 0.00 N ATOM 363 CA VAL A 24 1.457 5.694 3.617 1.00 0.00 C ATOM 364 C VAL A 24 2.028 5.753 5.037 1.00 0.00 C ATOM 365 O VAL A 24 3.093 5.197 5.306 1.00 0.00 O ATOM 366 CB VAL A 24 2.494 6.230 2.620 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.842 6.454 1.265 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.104 7.522 3.142 1.00 0.00 C ATOM 0 H VAL A 24 0.279 7.387 3.924 1.00 0.00 H new ATOM 0 HA VAL A 24 1.227 4.653 3.387 1.00 0.00 H new ATOM 0 HB VAL A 24 3.291 5.496 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.584 6.834 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.441 5.511 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.033 7.178 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.838 7.893 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.319 8.267 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.592 7.334 4.098 1.00 0.00 H new ATOM 378 N GLY A 25 1.321 6.429 5.938 1.00 0.00 N ATOM 379 CA GLY A 25 1.782 6.537 7.311 1.00 0.00 C ATOM 380 C GLY A 25 1.717 5.209 8.041 1.00 0.00 C ATOM 381 O GLY A 25 0.979 5.061 9.015 1.00 0.00 O ATOM 0 H GLY A 25 0.439 6.903 5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.808 6.906 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.175 7.271 7.840 1.00 0.00 H new ATOM 385 N GLY A 26 2.496 4.242 7.566 1.00 0.00 N ATOM 386 CA GLY A 26 2.520 2.930 8.178 1.00 0.00 C ATOM 387 C GLY A 26 3.837 2.224 7.931 1.00 0.00 C ATOM 388 O GLY A 26 4.775 2.362 8.714 1.00 0.00 O ATOM 0 H GLY A 26 3.115 4.347 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.353 3.025 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.703 2.327 7.781 1.00 0.00 H new ATOM 392 N LEU A 27 3.903 1.471 6.836 1.00 0.00 N ATOM 393 CA LEU A 27 5.107 0.734 6.463 1.00 0.00 C ATOM 394 C LEU A 27 4.806 -0.220 5.316 1.00 0.00 C ATOM 395 O LEU A 27 3.648 -0.449 4.991 1.00 0.00 O ATOM 396 CB LEU A 27 5.643 -0.046 7.660 1.00 0.00 C ATOM 397 CG LEU A 27 7.090 0.261 8.046 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.050 -0.279 7.000 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.298 1.760 8.232 1.00 0.00 C ATOM 0 H LEU A 27 3.127 1.355 6.185 1.00 0.00 H new ATOM 0 HA LEU A 27 5.864 1.448 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.004 0.156 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.560 -1.111 7.445 1.00 0.00 H new ATOM 0 HG LEU A 27 7.296 -0.234 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.074 -0.050 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.929 -1.359 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.837 0.184 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.335 1.952 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.067 2.278 7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.641 2.123 9.022 1.00 0.00 H new ATOM 411 N LYS A 28 5.848 -0.776 4.703 1.00 0.00 N ATOM 412 CA LYS A 28 5.667 -1.706 3.592 1.00 0.00 C ATOM 413 C LYS A 28 4.636 -2.777 3.943 1.00 0.00 C ATOM 414 O LYS A 28 3.613 -2.908 3.272 1.00 0.00 O ATOM 415 CB LYS A 28 7.000 -2.361 3.223 1.00 0.00 C ATOM 416 CG LYS A 28 7.180 -2.570 1.727 1.00 0.00 C ATOM 417 CD LYS A 28 8.541 -3.169 1.409 1.00 0.00 C ATOM 418 CE LYS A 28 8.768 -3.270 -0.090 1.00 0.00 C ATOM 419 NZ LYS A 28 10.217 -3.316 -0.432 1.00 0.00 N ATOM 0 H LYS A 28 6.821 -0.600 4.955 1.00 0.00 H new ATOM 0 HA LYS A 28 5.301 -1.143 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.816 -1.742 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.075 -3.324 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.395 -3.228 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.071 -1.617 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.323 -2.555 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.618 -4.160 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.277 -4.165 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.305 -2.416 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.341 -3.778 -1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.594 -2.348 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.729 -3.855 0.296 1.00 0.00 H new ATOM 433 N ASN A 29 4.898 -3.528 5.011 1.00 0.00 N ATOM 434 CA ASN A 29 3.975 -4.569 5.451 1.00 0.00 C ATOM 435 C ASN A 29 2.591 -3.974 5.674 1.00 0.00 C ATOM 436 O ASN A 29 1.577 -4.531 5.244 1.00 0.00 O ATOM 437 CB ASN A 29 4.481 -5.226 6.737 1.00 0.00 C ATOM 438 CG ASN A 29 4.816 -4.213 7.814 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.889 -3.609 7.802 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.898 -4.023 8.754 1.00 0.00 N ATOM 0 H ASN A 29 5.737 -3.435 5.584 1.00 0.00 H new ATOM 0 HA ASN A 29 3.913 -5.333 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.723 -5.913 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.367 -5.820 6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.068 -3.355 9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.022 -4.545 8.725 1.00 0.00 H new ATOM 447 N GLU A 30 2.564 -2.820 6.327 1.00 0.00 N ATOM 448 CA GLU A 30 1.316 -2.122 6.589 1.00 0.00 C ATOM 449 C GLU A 30 0.701 -1.641 5.280 1.00 0.00 C ATOM 450 O GLU A 30 -0.517 -1.511 5.161 1.00 0.00 O ATOM 451 CB GLU A 30 1.561 -0.934 7.521 1.00 0.00 C ATOM 452 CG GLU A 30 1.389 -1.270 8.993 1.00 0.00 C ATOM 453 CD GLU A 30 -0.015 -0.995 9.494 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.518 -1.789 10.316 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.611 0.015 9.064 1.00 0.00 O ATOM 0 H GLU A 30 3.394 -2.348 6.685 1.00 0.00 H new ATOM 0 HA GLU A 30 0.624 -2.811 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.571 -0.558 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.875 -0.129 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.628 -2.322 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.100 -0.689 9.580 1.00 0.00 H new ATOM 462 N TRP A 31 1.563 -1.372 4.301 1.00 0.00 N ATOM 463 CA TRP A 31 1.127 -0.897 2.999 1.00 0.00 C ATOM 464 C TRP A 31 0.470 -2.017 2.205 1.00 0.00 C ATOM 465 O TRP A 31 -0.596 -1.829 1.622 1.00 0.00 O ATOM 466 CB TRP A 31 2.317 -0.299 2.242 1.00 0.00 C ATOM 467 CG TRP A 31 2.802 0.975 2.867 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.160 1.684 3.842 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.018 1.689 2.586 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.892 2.789 4.181 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.034 2.816 3.430 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.093 1.495 1.710 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.075 3.736 3.428 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.127 2.414 1.710 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.112 3.520 2.565 1.00 0.00 C ATOM 0 H TRP A 31 2.574 -1.477 4.391 1.00 0.00 H new ATOM 0 HA TRP A 31 0.378 -0.117 3.138 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.131 -1.023 2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.029 -0.108 1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.212 1.412 4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.628 3.482 4.882 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.115 0.643 1.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.065 4.592 4.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.961 2.275 1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.936 4.217 2.543 1.00 0.00 H new ATOM 486 N VAL A 32 1.089 -3.193 2.203 1.00 0.00 N ATOM 487 CA VAL A 32 0.522 -4.331 1.495 1.00 0.00 C ATOM 488 C VAL A 32 -0.808 -4.725 2.128 1.00 0.00 C ATOM 489 O VAL A 32 -1.743 -5.124 1.436 1.00 0.00 O ATOM 490 CB VAL A 32 1.474 -5.547 1.483 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.790 -6.012 2.895 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.880 -6.682 0.659 1.00 0.00 C ATOM 0 H VAL A 32 1.972 -3.380 2.678 1.00 0.00 H new ATOM 0 HA VAL A 32 0.367 -4.026 0.460 1.00 0.00 H new ATOM 0 HB VAL A 32 2.410 -5.238 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.462 -6.869 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.268 -5.202 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.867 -6.299 3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.564 -7.530 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.074 -6.984 1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.724 -6.345 -0.366 1.00 0.00 H new ATOM 502 N GLN A 33 -0.887 -4.599 3.449 1.00 0.00 N ATOM 503 CA GLN A 33 -2.105 -4.930 4.178 1.00 0.00 C ATOM 504 C GLN A 33 -3.229 -3.949 3.844 1.00 0.00 C ATOM 505 O GLN A 33 -4.337 -4.359 3.498 1.00 0.00 O ATOM 506 CB GLN A 33 -1.841 -4.925 5.685 1.00 0.00 C ATOM 507 CG GLN A 33 -1.547 -6.303 6.257 1.00 0.00 C ATOM 508 CD GLN A 33 -0.340 -6.954 5.613 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.784 -6.824 6.099 1.00 0.00 O ATOM 510 NE2 GLN A 33 -0.565 -7.660 4.511 1.00 0.00 N ATOM 0 H GLN A 33 -0.121 -4.270 4.036 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.418 -5.929 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.998 -4.266 5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.708 -4.506 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.380 -6.219 7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.418 -6.943 6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.513 -7.742 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.210 -8.120 4.033 1.00 0.00 H new ATOM 519 N ARG A 34 -2.939 -2.652 3.950 1.00 0.00 N ATOM 520 CA ARG A 34 -3.939 -1.627 3.657 1.00 0.00 C ATOM 521 C ARG A 34 -4.326 -1.651 2.181 1.00 0.00 C ATOM 522 O ARG A 34 -5.493 -1.464 1.836 1.00 0.00 O ATOM 523 CB ARG A 34 -3.433 -0.238 4.056 1.00 0.00 C ATOM 524 CG ARG A 34 -2.271 0.258 3.226 1.00 0.00 C ATOM 525 CD ARG A 34 -2.008 1.732 3.482 1.00 0.00 C ATOM 526 NE ARG A 34 -1.853 2.029 4.903 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.483 3.016 5.537 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.322 3.814 4.886 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.268 3.209 6.830 1.00 0.00 N ATOM 0 H ARG A 34 -2.029 -2.289 4.234 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.828 -1.849 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.254 0.474 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.134 -0.259 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.378 -0.321 3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.482 0.101 2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.107 2.036 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.831 2.321 3.078 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.220 1.442 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.489 3.674 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.799 4.567 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.622 2.603 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.748 3.964 7.320 1.00 0.00 H new ATOM 543 N LEU A 35 -3.350 -1.900 1.310 1.00 0.00 N ATOM 544 CA LEU A 35 -3.611 -1.965 -0.123 1.00 0.00 C ATOM 545 C LEU A 35 -4.495 -3.163 -0.434 1.00 0.00 C ATOM 546 O LEU A 35 -5.533 -3.033 -1.082 1.00 0.00 O ATOM 547 CB LEU A 35 -2.306 -2.079 -0.910 1.00 0.00 C ATOM 548 CG LEU A 35 -1.420 -0.837 -0.910 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.058 -1.177 -1.481 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.059 0.284 -1.710 1.00 0.00 C ATOM 0 H LEU A 35 -2.377 -2.059 1.571 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.118 -1.047 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.731 -2.912 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.547 -2.330 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.303 -0.496 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.570 -0.286 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.408 -1.952 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.172 -1.538 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.408 1.158 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.206 -0.042 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.023 0.541 -1.270 1.00 0.00 H new ATOM 562 N ILE A 36 -4.082 -4.331 0.053 1.00 0.00 N ATOM 563 CA ILE A 36 -4.841 -5.555 -0.156 1.00 0.00 C ATOM 564 C ILE A 36 -6.280 -5.360 0.309 1.00 0.00 C ATOM 565 O ILE A 36 -7.223 -5.833 -0.326 1.00 0.00 O ATOM 566 CB ILE A 36 -4.201 -6.744 0.599 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.886 -7.159 -0.068 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.157 -7.929 0.657 1.00 0.00 C ATOM 569 CD1 ILE A 36 -2.059 -8.107 0.774 1.00 0.00 C ATOM 0 H ILE A 36 -3.226 -4.452 0.594 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.831 -5.783 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.991 -6.421 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.106 -7.632 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.298 -6.267 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.684 -8.752 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.070 -7.635 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.402 -8.249 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.142 -8.360 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.809 -7.629 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.630 -9.016 0.966 1.00 0.00 H new ATOM 581 N LYS A 37 -6.437 -4.635 1.412 1.00 0.00 N ATOM 582 CA LYS A 37 -7.754 -4.347 1.955 1.00 0.00 C ATOM 583 C LYS A 37 -8.464 -3.334 1.071 1.00 0.00 C ATOM 584 O LYS A 37 -9.688 -3.356 0.939 1.00 0.00 O ATOM 585 CB LYS A 37 -7.638 -3.810 3.384 1.00 0.00 C ATOM 586 CG LYS A 37 -7.288 -4.877 4.408 1.00 0.00 C ATOM 587 CD LYS A 37 -7.058 -4.274 5.784 1.00 0.00 C ATOM 588 CE LYS A 37 -8.307 -4.362 6.647 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.497 -3.139 7.473 1.00 0.00 N ATOM 0 H LYS A 37 -5.665 -4.237 1.946 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.334 -5.269 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.877 -3.030 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.582 -3.344 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.093 -5.610 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.392 -5.410 4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.236 -4.793 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.759 -3.231 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.179 -4.509 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.238 -5.233 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.359 -3.238 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.677 -3.012 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.589 -2.311 6.851 1.00 0.00 H new ATOM 603 N ASP A 38 -7.682 -2.447 0.459 1.00 0.00 N ATOM 604 CA ASP A 38 -8.232 -1.429 -0.418 1.00 0.00 C ATOM 605 C ASP A 38 -8.804 -2.061 -1.682 1.00 0.00 C ATOM 606 O ASP A 38 -9.929 -1.767 -2.084 1.00 0.00 O ATOM 607 CB ASP A 38 -7.155 -0.410 -0.788 1.00 0.00 C ATOM 608 CG ASP A 38 -7.712 0.745 -1.596 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.809 0.613 -2.834 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.058 1.783 -0.990 1.00 0.00 O ATOM 0 H ASP A 38 -6.667 -2.417 0.557 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.036 -0.919 0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.693 -0.025 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.370 -0.905 -1.359 1.00 0.00 H new ATOM 615 N ASP A 39 -8.018 -2.936 -2.301 1.00 0.00 N ATOM 616 CA ASP A 39 -8.439 -3.617 -3.517 1.00 0.00 C ATOM 617 C ASP A 39 -9.551 -4.617 -3.222 1.00 0.00 C ATOM 618 O ASP A 39 -10.411 -4.874 -4.065 1.00 0.00 O ATOM 619 CB ASP A 39 -7.251 -4.334 -4.159 1.00 0.00 C ATOM 620 CG ASP A 39 -6.485 -3.441 -5.116 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.392 -3.794 -6.311 1.00 0.00 O ATOM 622 OD2 ASP A 39 -5.980 -2.389 -4.671 1.00 0.00 O ATOM 0 H ASP A 39 -7.084 -3.190 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.822 -2.868 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.578 -4.687 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.607 -5.214 -4.694 1.00 0.00 H new ATOM 627 N GLU A 40 -9.526 -5.182 -2.018 1.00 0.00 N ATOM 628 CA GLU A 40 -10.531 -6.158 -1.610 1.00 0.00 C ATOM 629 C GLU A 40 -11.828 -5.476 -1.189 1.00 0.00 C ATOM 630 O GLU A 40 -12.893 -6.091 -1.201 1.00 0.00 O ATOM 631 CB GLU A 40 -10.001 -7.026 -0.468 1.00 0.00 C ATOM 632 CG GLU A 40 -9.256 -8.265 -0.940 1.00 0.00 C ATOM 633 CD GLU A 40 -9.686 -9.519 -0.204 1.00 0.00 C ATOM 634 OE1 GLU A 40 -8.849 -10.433 -0.050 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.860 -9.588 0.217 1.00 0.00 O ATOM 0 H GLU A 40 -8.821 -4.981 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.745 -6.793 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.336 -6.427 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.836 -7.332 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.423 -8.400 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.185 -8.116 -0.801 1.00 0.00 H new