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 168:sc= -1.7! USER MOD Single : A 12 GLN : amide:sc= -2.88! C(o=-2.9!,f=-2.5!) 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 24:sc= 0.0937 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.867 (180deg=-0.955) USER MOD Single : A 29 ASN : amide:sc= -1.62 K(o=-1.6,f=-5!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.612 F(o=-1.2,f=-0.61) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.933 -6.620 -3.033 1.00 0.00 N ATOM 43 CA TYR A 5 2.814 -5.510 -2.692 1.00 0.00 C ATOM 44 C TYR A 5 3.966 -5.970 -1.809 1.00 0.00 C ATOM 45 O TYR A 5 5.036 -5.360 -1.796 1.00 0.00 O ATOM 46 CB TYR A 5 2.033 -4.410 -1.982 1.00 0.00 C ATOM 47 CG TYR A 5 0.763 -4.015 -2.691 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.779 -3.049 -3.684 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.453 -4.604 -2.366 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.375 -2.678 -4.334 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.614 -4.237 -3.010 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.573 -3.271 -3.994 1.00 0.00 C ATOM 53 OH TYR A 5 -2.730 -2.902 -4.643 1.00 0.00 O ATOM 0 HA TYR A 5 3.227 -5.118 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.787 -4.744 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.670 -3.532 -1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.714 -2.579 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.488 -5.361 -1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.343 -1.925 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.552 -4.703 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.484 -3.416 -4.285 1.00 0.00 H new ATOM 63 N SER A 6 3.741 -7.051 -1.072 1.00 0.00 N ATOM 64 CA SER A 6 4.756 -7.598 -0.184 1.00 0.00 C ATOM 65 C SER A 6 6.081 -7.794 -0.921 1.00 0.00 C ATOM 66 O SER A 6 7.148 -7.804 -0.307 1.00 0.00 O ATOM 67 CB SER A 6 4.268 -8.921 0.408 1.00 0.00 C ATOM 68 OG SER A 6 5.151 -9.389 1.413 1.00 0.00 O ATOM 0 H SER A 6 2.861 -7.567 -1.073 1.00 0.00 H new ATOM 0 HA SER A 6 4.928 -6.889 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.271 -8.789 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.184 -9.667 -0.382 1.00 0.00 H new ATOM 0 HG SER A 6 4.815 -10.235 1.776 1.00 0.00 H new ATOM 74 N SER A 7 6.005 -7.936 -2.243 1.00 0.00 N ATOM 75 CA SER A 7 7.196 -8.114 -3.066 1.00 0.00 C ATOM 76 C SER A 7 7.589 -6.800 -3.739 1.00 0.00 C ATOM 77 O SER A 7 8.754 -6.586 -4.075 1.00 0.00 O ATOM 78 CB SER A 7 6.956 -9.192 -4.124 1.00 0.00 C ATOM 79 OG SER A 7 6.099 -10.209 -3.632 1.00 0.00 O ATOM 0 H SER A 7 5.129 -7.931 -2.766 1.00 0.00 H new ATOM 0 HA SER A 7 8.013 -8.430 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.517 -8.741 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.908 -9.629 -4.425 1.00 0.00 H new ATOM 0 HG SER A 7 5.960 -10.885 -4.328 1.00 0.00 H new ATOM 85 N LEU A 8 6.607 -5.920 -3.929 1.00 0.00 N ATOM 86 CA LEU A 8 6.845 -4.622 -4.558 1.00 0.00 C ATOM 87 C LEU A 8 7.899 -3.833 -3.787 1.00 0.00 C ATOM 88 O LEU A 8 8.591 -4.378 -2.927 1.00 0.00 O ATOM 89 CB LEU A 8 5.539 -3.821 -4.617 1.00 0.00 C ATOM 90 CG LEU A 8 4.939 -3.641 -6.013 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.765 -4.584 -6.209 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.502 -2.200 -6.226 1.00 0.00 C ATOM 0 H LEU A 8 5.638 -6.083 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 8 7.210 -4.793 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.801 -4.315 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.718 -2.835 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 8 5.705 -3.880 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.349 -4.444 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.103 -5.614 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.999 -4.371 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.078 -2.092 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.751 -1.934 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.363 -1.540 -6.124 1.00 0.00 H new ATOM 104 N THR A 9 8.004 -2.541 -4.088 1.00 0.00 N ATOM 105 CA THR A 9 8.961 -1.678 -3.407 1.00 0.00 C ATOM 106 C THR A 9 8.233 -0.639 -2.566 1.00 0.00 C ATOM 107 O THR A 9 7.090 -0.284 -2.848 1.00 0.00 O ATOM 108 CB THR A 9 9.894 -0.975 -4.403 1.00 0.00 C ATOM 109 OG1 THR A 9 10.333 0.270 -3.879 1.00 0.00 O ATOM 110 CG2 THR A 9 9.260 -0.706 -5.752 1.00 0.00 C ATOM 0 H THR A 9 7.440 -2.072 -4.796 1.00 0.00 H new ATOM 0 HA THR A 9 9.568 -2.309 -2.758 1.00 0.00 H new ATOM 0 HB THR A 9 10.725 -1.665 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.068 0.615 -4.427 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.981 -0.208 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.956 -1.649 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.386 -0.067 -5.623 1.00 0.00 H new ATOM 118 N VAL A 10 8.909 -0.150 -1.538 1.00 0.00 N ATOM 119 CA VAL A 10 8.334 0.851 -0.656 1.00 0.00 C ATOM 120 C VAL A 10 7.946 2.103 -1.427 1.00 0.00 C ATOM 121 O VAL A 10 6.973 2.769 -1.089 1.00 0.00 O ATOM 122 CB VAL A 10 9.323 1.255 0.449 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.539 0.108 1.425 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.640 1.704 -0.169 1.00 0.00 C ATOM 0 H VAL A 10 9.859 -0.432 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 10 7.447 0.402 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 10 8.902 2.090 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.242 0.416 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.589 -0.162 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.941 -0.753 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.335 1.988 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.067 0.886 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.463 2.559 -0.821 1.00 0.00 H new ATOM 134 N VAL A 11 8.719 2.421 -2.460 1.00 0.00 N ATOM 135 CA VAL A 11 8.460 3.605 -3.266 1.00 0.00 C ATOM 136 C VAL A 11 7.150 3.480 -4.034 1.00 0.00 C ATOM 137 O VAL A 11 6.343 4.412 -4.066 1.00 0.00 O ATOM 138 CB VAL A 11 9.616 3.872 -4.255 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.953 3.785 -3.538 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.578 2.897 -5.424 1.00 0.00 C ATOM 0 H VAL A 11 9.528 1.876 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 11 8.382 4.447 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 11 9.493 4.879 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.759 3.975 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.988 4.528 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.073 2.789 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.404 3.110 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.669 1.877 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.633 3.005 -5.957 1.00 0.00 H new ATOM 150 N GLN A 12 6.940 2.323 -4.645 1.00 0.00 N ATOM 151 CA GLN A 12 5.726 2.083 -5.407 1.00 0.00 C ATOM 152 C GLN A 12 4.549 1.886 -4.472 1.00 0.00 C ATOM 153 O GLN A 12 3.453 2.385 -4.720 1.00 0.00 O ATOM 154 CB GLN A 12 5.883 0.858 -6.309 1.00 0.00 C ATOM 155 CG GLN A 12 6.149 1.206 -7.764 1.00 0.00 C ATOM 156 CD GLN A 12 7.622 1.426 -8.054 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.089 2.563 -8.121 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.359 0.337 -8.231 1.00 0.00 N ATOM 0 H GLN A 12 7.593 1.539 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 12 5.542 2.955 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.702 0.244 -5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.978 0.253 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.774 0.404 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.593 2.106 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.929 -0.586 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.355 0.423 -8.432 1.00 0.00 H new ATOM 167 N LEU A 13 4.788 1.145 -3.399 1.00 0.00 N ATOM 168 CA LEU A 13 3.751 0.864 -2.423 1.00 0.00 C ATOM 169 C LEU A 13 3.147 2.151 -1.864 1.00 0.00 C ATOM 170 O LEU A 13 1.936 2.345 -1.910 1.00 0.00 O ATOM 171 CB LEU A 13 4.297 -0.004 -1.289 1.00 0.00 C ATOM 172 CG LEU A 13 3.871 -1.475 -1.346 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.995 -2.337 -1.895 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.452 -1.965 0.031 1.00 0.00 C ATOM 0 H LEU A 13 5.694 0.728 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 13 2.959 0.315 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.386 0.046 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.972 0.418 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 13 3.015 -1.556 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.673 -3.378 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.250 -2.005 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.870 -2.248 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.153 -3.011 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.289 -1.867 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.613 -1.369 0.390 1.00 0.00 H new ATOM 186 N LYS A 14 3.989 3.028 -1.330 1.00 0.00 N ATOM 187 CA LYS A 14 3.498 4.279 -0.767 1.00 0.00 C ATOM 188 C LYS A 14 3.037 5.241 -1.859 1.00 0.00 C ATOM 189 O LYS A 14 2.101 6.011 -1.656 1.00 0.00 O ATOM 190 CB LYS A 14 4.558 4.938 0.114 1.00 0.00 C ATOM 191 CG LYS A 14 5.911 5.103 -0.560 1.00 0.00 C ATOM 192 CD LYS A 14 6.311 6.564 -0.701 1.00 0.00 C ATOM 193 CE LYS A 14 6.111 7.341 0.593 1.00 0.00 C ATOM 194 NZ LYS A 14 6.981 8.548 0.656 1.00 0.00 N ATOM 0 H LYS A 14 4.999 2.899 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 14 2.635 4.039 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.198 5.918 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.685 4.343 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.669 4.575 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.882 4.640 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.357 6.625 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.723 7.025 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.067 7.641 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.327 6.693 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.815 9.049 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.979 8.260 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.758 9.179 -0.140 1.00 0.00 H new ATOM 208 N ASP A 15 3.681 5.188 -3.023 1.00 0.00 N ATOM 209 CA ASP A 15 3.302 6.055 -4.133 1.00 0.00 C ATOM 210 C ASP A 15 1.881 5.731 -4.581 1.00 0.00 C ATOM 211 O ASP A 15 1.023 6.613 -4.686 1.00 0.00 O ATOM 212 CB ASP A 15 4.277 5.885 -5.300 1.00 0.00 C ATOM 213 CG ASP A 15 3.924 6.766 -6.483 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.352 7.855 -6.263 1.00 0.00 O ATOM 215 OD2 ASP A 15 4.219 6.368 -7.629 1.00 0.00 O ATOM 0 H ASP A 15 4.460 4.560 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 15 3.341 7.092 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.287 6.121 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.282 4.842 -5.616 1.00 0.00 H new ATOM 220 N LEU A 16 1.631 4.449 -4.813 1.00 0.00 N ATOM 221 CA LEU A 16 0.315 3.998 -5.218 1.00 0.00 C ATOM 222 C LEU A 16 -0.663 4.211 -4.074 1.00 0.00 C ATOM 223 O LEU A 16 -1.846 4.448 -4.291 1.00 0.00 O ATOM 224 CB LEU A 16 0.364 2.520 -5.648 1.00 0.00 C ATOM 225 CG LEU A 16 -0.265 1.503 -4.680 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.038 0.438 -5.438 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.806 0.859 -3.818 1.00 0.00 C ATOM 0 H LEU A 16 2.325 3.707 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.023 4.578 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.136 2.428 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.407 2.244 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.962 2.038 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.473 -0.269 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.833 0.908 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.364 -0.091 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.344 0.142 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.525 0.344 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.319 1.628 -3.240 1.00 0.00 H new ATOM 239 N LEU A 17 -0.152 4.111 -2.850 1.00 0.00 N ATOM 240 CA LEU A 17 -0.973 4.278 -1.662 1.00 0.00 C ATOM 241 C LEU A 17 -1.642 5.641 -1.636 1.00 0.00 C ATOM 242 O LEU A 17 -2.866 5.745 -1.549 1.00 0.00 O ATOM 243 CB LEU A 17 -0.107 4.140 -0.419 1.00 0.00 C ATOM 244 CG LEU A 17 -0.023 2.739 0.158 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.022 2.698 1.262 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.388 2.305 0.669 1.00 0.00 C ATOM 0 H LEU A 17 0.830 3.914 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.744 3.508 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.901 4.478 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.493 4.810 0.350 1.00 0.00 H new ATOM 0 HG LEU A 17 0.281 2.040 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.078 1.690 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.993 2.978 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.745 3.396 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.319 1.298 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.721 2.993 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.103 2.312 -0.153 1.00 0.00 H new ATOM 258 N THR A 18 -0.831 6.685 -1.722 1.00 0.00 N ATOM 259 CA THR A 18 -1.353 8.045 -1.718 1.00 0.00 C ATOM 260 C THR A 18 -2.205 8.259 -2.959 1.00 0.00 C ATOM 261 O THR A 18 -3.195 8.990 -2.928 1.00 0.00 O ATOM 262 CB THR A 18 -0.224 9.085 -1.640 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.573 10.267 -2.343 1.00 0.00 O ATOM 264 CG2 THR A 18 1.098 8.601 -2.194 1.00 0.00 C ATOM 0 H THR A 18 0.184 6.619 -1.795 1.00 0.00 H new ATOM 0 HA THR A 18 -1.969 8.179 -0.829 1.00 0.00 H new ATOM 0 HB THR A 18 -0.099 9.276 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.160 10.915 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.842 9.392 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.428 7.726 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.977 8.336 -3.244 1.00 0.00 H new ATOM 272 N LYS A 19 -1.821 7.600 -4.049 1.00 0.00 N ATOM 273 CA LYS A 19 -2.566 7.705 -5.293 1.00 0.00 C ATOM 274 C LYS A 19 -3.869 6.897 -5.222 1.00 0.00 C ATOM 275 O LYS A 19 -4.761 7.069 -6.053 1.00 0.00 O ATOM 276 CB LYS A 19 -1.714 7.213 -6.465 1.00 0.00 C ATOM 277 CG LYS A 19 -0.771 8.270 -7.018 1.00 0.00 C ATOM 278 CD LYS A 19 0.344 7.644 -7.840 1.00 0.00 C ATOM 279 CE LYS A 19 -0.191 7.011 -9.114 1.00 0.00 C ATOM 280 NZ LYS A 19 0.782 6.054 -9.710 1.00 0.00 N ATOM 0 H LYS A 19 -1.003 6.992 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.817 8.754 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.131 6.351 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.372 6.872 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.331 8.971 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.341 8.842 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.082 8.405 -8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.856 6.888 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.124 6.492 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.422 7.792 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.379 5.644 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.664 6.554 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.983 5.294 -9.029 1.00 0.00 H new ATOM 351 N SER A 23 -3.185 6.085 2.390 1.00 0.00 N ATOM 352 CA SER A 23 -2.031 6.803 2.906 1.00 0.00 C ATOM 353 C SER A 23 -0.815 5.898 2.980 1.00 0.00 C ATOM 354 O SER A 23 -0.850 4.744 2.549 1.00 0.00 O ATOM 355 CB SER A 23 -2.317 7.383 4.288 1.00 0.00 C ATOM 356 OG SER A 23 -3.477 8.196 4.275 1.00 0.00 O ATOM 0 HA SER A 23 -1.824 7.621 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.446 6.572 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.462 7.971 4.622 1.00 0.00 H new ATOM 0 HG SER A 23 -4.053 7.932 3.528 1.00 0.00 H new ATOM 362 N VAL A 24 0.264 6.438 3.522 1.00 0.00 N ATOM 363 CA VAL A 24 1.507 5.701 3.654 1.00 0.00 C ATOM 364 C VAL A 24 2.052 5.774 5.081 1.00 0.00 C ATOM 365 O VAL A 24 3.110 5.221 5.377 1.00 0.00 O ATOM 366 CB VAL A 24 2.560 6.238 2.670 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.934 6.446 1.301 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.164 7.535 3.190 1.00 0.00 C ATOM 0 H VAL A 24 0.302 7.392 3.880 1.00 0.00 H new ATOM 0 HA VAL A 24 1.294 4.658 3.421 1.00 0.00 H new ATOM 0 HB VAL A 24 3.362 5.505 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.687 6.826 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.548 5.497 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.118 7.164 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.907 7.900 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.378 8.281 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.640 7.354 4.154 1.00 0.00 H new ATOM 378 N GLY A 25 1.325 6.457 5.963 1.00 0.00 N ATOM 379 CA GLY A 25 1.757 6.574 7.343 1.00 0.00 C ATOM 380 C GLY A 25 1.661 5.253 8.084 1.00 0.00 C ATOM 381 O GLY A 25 0.918 5.129 9.058 1.00 0.00 O ATOM 0 H GLY A 25 0.447 6.929 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.786 6.931 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.146 7.320 7.852 1.00 0.00 H new ATOM 385 N GLY A 26 2.415 4.265 7.615 1.00 0.00 N ATOM 386 CA GLY A 26 2.411 2.956 8.234 1.00 0.00 C ATOM 387 C GLY A 26 3.728 2.241 8.023 1.00 0.00 C ATOM 388 O GLY A 26 4.644 2.366 8.833 1.00 0.00 O ATOM 0 H GLY A 26 3.034 4.351 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.217 3.058 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.600 2.358 7.819 1.00 0.00 H new ATOM 392 N LEU A 27 3.820 1.494 6.924 1.00 0.00 N ATOM 393 CA LEU A 27 5.029 0.752 6.580 1.00 0.00 C ATOM 394 C LEU A 27 4.753 -0.187 5.415 1.00 0.00 C ATOM 395 O LEU A 27 3.601 -0.435 5.081 1.00 0.00 O ATOM 396 CB LEU A 27 5.527 -0.042 7.786 1.00 0.00 C ATOM 397 CG LEU A 27 6.969 0.250 8.204 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.943 -0.301 7.178 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.189 1.746 8.396 1.00 0.00 C ATOM 0 H LEU A 27 3.062 1.387 6.250 1.00 0.00 H new ATOM 0 HA LEU A 27 5.802 1.463 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.871 0.163 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.438 -1.105 7.563 1.00 0.00 H new ATOM 0 HG LEU A 27 7.151 -0.245 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.964 -0.084 7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.811 -1.380 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.754 0.164 6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.222 1.927 8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.984 2.267 7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.519 2.116 9.172 1.00 0.00 H new ATOM 411 N LYS A 28 5.808 -0.704 4.792 1.00 0.00 N ATOM 412 CA LYS A 28 5.651 -1.611 3.659 1.00 0.00 C ATOM 413 C LYS A 28 4.640 -2.712 3.975 1.00 0.00 C ATOM 414 O LYS A 28 3.624 -2.845 3.293 1.00 0.00 O ATOM 415 CB LYS A 28 6.997 -2.229 3.279 1.00 0.00 C ATOM 416 CG LYS A 28 7.207 -2.346 1.779 1.00 0.00 C ATOM 417 CD LYS A 28 8.343 -3.302 1.448 1.00 0.00 C ATOM 418 CE LYS A 28 8.137 -3.971 0.098 1.00 0.00 C ATOM 419 NZ LYS A 28 8.113 -5.455 0.211 1.00 0.00 N ATOM 0 H LYS A 28 6.776 -0.512 5.050 1.00 0.00 H new ATOM 0 HA LYS A 28 5.276 -1.032 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.798 -1.625 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.073 -3.220 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.288 -2.695 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.425 -1.362 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.288 -2.758 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.416 -4.063 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.200 -3.625 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.935 -3.672 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.708 -5.863 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.082 -5.809 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.532 -5.732 1.028 1.00 0.00 H new ATOM 433 N ASN A 29 4.910 -3.485 5.022 1.00 0.00 N ATOM 434 CA ASN A 29 4.004 -4.557 5.425 1.00 0.00 C ATOM 435 C ASN A 29 2.605 -3.999 5.646 1.00 0.00 C ATOM 436 O ASN A 29 1.610 -4.563 5.184 1.00 0.00 O ATOM 437 CB ASN A 29 4.510 -5.232 6.701 1.00 0.00 C ATOM 438 CG ASN A 29 4.622 -4.264 7.863 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.425 -3.332 7.834 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.815 -4.483 8.895 1.00 0.00 N ATOM 0 H ASN A 29 5.743 -3.391 5.604 1.00 0.00 H new ATOM 0 HA ASN A 29 3.968 -5.302 4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.834 -6.043 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.485 -5.680 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.846 -3.866 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.164 -5.268 8.876 1.00 0.00 H new ATOM 447 N GLU A 30 2.544 -2.868 6.337 1.00 0.00 N ATOM 448 CA GLU A 30 1.280 -2.203 6.606 1.00 0.00 C ATOM 449 C GLU A 30 0.669 -1.693 5.305 1.00 0.00 C ATOM 450 O GLU A 30 -0.551 -1.588 5.178 1.00 0.00 O ATOM 451 CB GLU A 30 1.489 -1.044 7.580 1.00 0.00 C ATOM 452 CG GLU A 30 1.263 -1.422 9.035 1.00 0.00 C ATOM 453 CD GLU A 30 -0.185 -1.756 9.333 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.465 -2.919 9.693 1.00 0.00 O ATOM 455 OE2 GLU A 30 -1.041 -0.855 9.204 1.00 0.00 O ATOM 0 H GLU A 30 3.360 -2.392 6.722 1.00 0.00 H new ATOM 0 HA GLU A 30 0.596 -2.921 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.504 -0.663 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.812 -0.232 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.888 -2.279 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.581 -0.598 9.674 1.00 0.00 H new ATOM 462 N TRP A 31 1.534 -1.374 4.346 1.00 0.00 N ATOM 463 CA TRP A 31 1.100 -0.868 3.054 1.00 0.00 C ATOM 464 C TRP A 31 0.442 -1.969 2.239 1.00 0.00 C ATOM 465 O TRP A 31 -0.664 -1.797 1.731 1.00 0.00 O ATOM 466 CB TRP A 31 2.290 -0.263 2.307 1.00 0.00 C ATOM 467 CG TRP A 31 2.779 0.998 2.950 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.145 1.699 3.933 1.00 0.00 C ATOM 469 CD2 TRP A 31 3.995 1.710 2.668 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.885 2.798 4.279 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.023 2.827 3.522 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.060 1.515 1.782 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.070 3.741 3.522 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.100 2.431 1.781 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.098 3.529 2.646 1.00 0.00 C ATOM 0 H TRP A 31 2.546 -1.459 4.444 1.00 0.00 H new ATOM 0 HA TRP A 31 0.357 -0.086 3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.102 -0.989 2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.003 -0.056 1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.197 1.427 4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.628 3.485 4.988 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.071 0.668 1.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.071 4.589 4.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.927 2.294 1.100 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.925 4.223 2.622 1.00 0.00 H new ATOM 486 N VAL A 32 1.109 -3.112 2.138 1.00 0.00 N ATOM 487 CA VAL A 32 0.553 -4.238 1.404 1.00 0.00 C ATOM 488 C VAL A 32 -0.764 -4.667 2.040 1.00 0.00 C ATOM 489 O VAL A 32 -1.702 -5.061 1.350 1.00 0.00 O ATOM 490 CB VAL A 32 1.523 -5.438 1.355 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.854 -5.929 2.757 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.939 -6.564 0.511 1.00 0.00 C ATOM 0 H VAL A 32 2.026 -3.282 2.551 1.00 0.00 H new ATOM 0 HA VAL A 32 0.384 -3.910 0.378 1.00 0.00 H new ATOM 0 HB VAL A 32 2.451 -5.106 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.539 -6.775 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.322 -5.124 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.938 -6.240 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.637 -7.401 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.006 -6.891 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.768 -6.206 -0.504 1.00 0.00 H new ATOM 502 N GLN A 33 -0.827 -4.572 3.365 1.00 0.00 N ATOM 503 CA GLN A 33 -2.031 -4.938 4.099 1.00 0.00 C ATOM 504 C GLN A 33 -3.175 -3.975 3.783 1.00 0.00 C ATOM 505 O GLN A 33 -4.278 -4.402 3.443 1.00 0.00 O ATOM 506 CB GLN A 33 -1.756 -4.946 5.604 1.00 0.00 C ATOM 507 CG GLN A 33 -0.964 -6.157 6.071 1.00 0.00 C ATOM 508 CD GLN A 33 -1.605 -7.467 5.657 1.00 0.00 C ATOM 509 OE1 GLN A 33 -1.255 -7.948 4.469 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 -2.404 -8.041 6.396 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.059 -4.245 3.951 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.326 -5.940 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.210 -4.041 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.705 -4.915 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.046 -6.106 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.871 -6.129 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.644 -7.635 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.826 -8.922 6.104 1.00 0.00 H new ATOM 519 N ARG A 34 -2.909 -2.672 3.896 1.00 0.00 N ATOM 520 CA ARG A 34 -3.928 -1.664 3.618 1.00 0.00 C ATOM 521 C ARG A 34 -4.343 -1.703 2.148 1.00 0.00 C ATOM 522 O ARG A 34 -5.527 -1.605 1.828 1.00 0.00 O ATOM 523 CB ARG A 34 -3.440 -0.265 4.000 1.00 0.00 C ATOM 524 CG ARG A 34 -2.234 0.205 3.221 1.00 0.00 C ATOM 525 CD ARG A 34 -1.960 1.674 3.485 1.00 0.00 C ATOM 526 NE ARG A 34 -1.886 1.977 4.913 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.490 3.014 5.492 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.213 3.866 4.773 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.365 3.204 6.798 1.00 0.00 N ATOM 0 H ARG A 34 -2.004 -2.295 4.176 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.800 -1.896 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.254 0.445 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.199 -0.254 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.362 -0.388 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.400 0.047 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.023 1.958 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.746 2.276 3.029 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.336 1.354 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.310 3.730 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.671 4.656 5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.808 2.557 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.826 3.997 7.244 1.00 0.00 H new ATOM 543 N LEU A 35 -3.366 -1.861 1.256 1.00 0.00 N ATOM 544 CA LEU A 35 -3.651 -1.928 -0.173 1.00 0.00 C ATOM 545 C LEU A 35 -4.516 -3.142 -0.475 1.00 0.00 C ATOM 546 O LEU A 35 -5.568 -3.029 -1.105 1.00 0.00 O ATOM 547 CB LEU A 35 -2.354 -2.015 -0.980 1.00 0.00 C ATOM 548 CG LEU A 35 -1.463 -0.776 -0.941 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.145 -1.072 -1.630 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.151 0.404 -1.604 1.00 0.00 C ATOM 0 H LEU A 35 -2.378 -1.944 1.497 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.183 -1.020 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.778 -2.865 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.608 -2.224 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.273 -0.515 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.488 -0.185 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.357 -1.894 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.331 -1.350 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.498 1.275 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.369 0.161 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.081 0.624 -1.080 1.00 0.00 H new ATOM 562 N ILE A 36 -4.074 -4.305 -0.001 1.00 0.00 N ATOM 563 CA ILE A 36 -4.812 -5.545 -0.204 1.00 0.00 C ATOM 564 C ILE A 36 -6.240 -5.395 0.308 1.00 0.00 C ATOM 565 O ILE A 36 -7.187 -5.905 -0.292 1.00 0.00 O ATOM 566 CB ILE A 36 -4.123 -6.730 0.510 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.811 -7.090 -0.190 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.043 -7.944 0.560 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.939 -8.025 0.619 1.00 0.00 C ATOM 0 H ILE A 36 -3.208 -4.412 0.526 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.830 -5.753 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.902 -6.424 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.035 -7.553 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.256 -6.176 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.535 -8.765 1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.953 -7.689 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.300 -8.248 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.025 -8.240 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.686 -7.555 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.477 -8.954 0.806 1.00 0.00 H new ATOM 581 N LYS A 37 -6.386 -4.673 1.414 1.00 0.00 N ATOM 582 CA LYS A 37 -7.692 -4.430 2.002 1.00 0.00 C ATOM 583 C LYS A 37 -8.470 -3.450 1.138 1.00 0.00 C ATOM 584 O LYS A 37 -9.696 -3.514 1.053 1.00 0.00 O ATOM 585 CB LYS A 37 -7.547 -3.882 3.423 1.00 0.00 C ATOM 586 CG LYS A 37 -8.586 -4.424 4.392 1.00 0.00 C ATOM 587 CD LYS A 37 -8.387 -3.867 5.791 1.00 0.00 C ATOM 588 CE LYS A 37 -9.072 -4.731 6.837 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.384 -4.660 8.156 1.00 0.00 N ATOM 0 H LYS A 37 -5.611 -4.246 1.921 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.236 -5.373 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.552 -4.124 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.621 -2.795 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.584 -4.169 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.526 -5.512 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.321 -3.804 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.783 -2.853 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.108 -4.410 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.094 -5.766 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.883 -5.263 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.403 -4.990 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.385 -3.677 8.496 1.00 0.00 H new ATOM 603 N ASP A 38 -7.741 -2.543 0.493 1.00 0.00 N ATOM 604 CA ASP A 38 -8.352 -1.549 -0.370 1.00 0.00 C ATOM 605 C ASP A 38 -8.982 -2.216 -1.587 1.00 0.00 C ATOM 606 O ASP A 38 -10.119 -1.921 -1.954 1.00 0.00 O ATOM 607 CB ASP A 38 -7.312 -0.524 -0.816 1.00 0.00 C ATOM 608 CG ASP A 38 -7.946 0.770 -1.290 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.179 0.904 -2.510 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.211 1.647 -0.441 1.00 0.00 O ATOM 0 H ASP A 38 -6.725 -2.480 0.555 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.133 -1.037 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.635 -0.313 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.710 -0.947 -1.620 1.00 0.00 H new ATOM 615 N ASP A 39 -8.233 -3.124 -2.203 1.00 0.00 N ATOM 616 CA ASP A 39 -8.712 -3.846 -3.375 1.00 0.00 C ATOM 617 C ASP A 39 -9.805 -4.830 -2.979 1.00 0.00 C ATOM 618 O ASP A 39 -10.740 -5.079 -3.741 1.00 0.00 O ATOM 619 CB ASP A 39 -7.557 -4.587 -4.052 1.00 0.00 C ATOM 620 CG ASP A 39 -6.830 -3.723 -5.063 1.00 0.00 C ATOM 621 OD1 ASP A 39 -5.913 -2.978 -4.657 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.177 -3.790 -6.261 1.00 0.00 O ATOM 0 H ASP A 39 -7.290 -3.378 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.127 -3.126 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.851 -4.925 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.942 -5.477 -4.549 1.00 0.00 H new ATOM 627 N GLU A 40 -9.682 -5.379 -1.775 1.00 0.00 N ATOM 628 CA GLU A 40 -10.661 -6.331 -1.262 1.00 0.00 C ATOM 629 C GLU A 40 -11.903 -5.608 -0.759 1.00 0.00 C ATOM 630 O GLU A 40 -12.979 -6.199 -0.660 1.00 0.00 O ATOM 631 CB GLU A 40 -10.051 -7.176 -0.139 1.00 0.00 C ATOM 632 CG GLU A 40 -9.561 -8.538 -0.602 1.00 0.00 C ATOM 633 CD GLU A 40 -8.821 -9.291 0.487 1.00 0.00 C ATOM 634 OE1 GLU A 40 -9.449 -10.140 1.154 1.00 0.00 O ATOM 635 OE2 GLU A 40 -7.614 -9.032 0.672 1.00 0.00 O ATOM 0 H GLU A 40 -8.913 -5.181 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.952 -6.992 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.218 -6.630 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.795 -7.314 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.412 -9.132 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.904 -8.411 -1.462 1.00 0.00 H new