USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 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 167:sc= -1.43! USER MOD Single : A 12 GLN : amide:sc= -2.96 X(o=-3,f=-2.7!) 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+ -168:sc= 0.787 (180deg=0.716) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 145:sc= 0.676 (180deg=-0.109) USER MOD Single : A 29 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.6!) USER MOD Single : A 33 GLN : amide:sc= -1.97 X(o=-2,f=-1.5) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0908) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 2.004 -6.681 -2.926 1.00 0.00 N ATOM 43 CA TYR A 5 2.868 -5.547 -2.621 1.00 0.00 C ATOM 44 C TYR A 5 4.040 -5.967 -1.747 1.00 0.00 C ATOM 45 O TYR A 5 5.107 -5.353 -1.781 1.00 0.00 O ATOM 46 CB TYR A 5 2.074 -4.450 -1.920 1.00 0.00 C ATOM 47 CG TYR A 5 0.816 -4.051 -2.648 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.408 -4.628 -2.333 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.850 -3.083 -3.638 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.561 -4.252 -2.988 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.295 -2.702 -4.299 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.501 -3.287 -3.972 1.00 0.00 C ATOM 53 OH TYR A 5 -2.648 -2.905 -4.629 1.00 0.00 O ATOM 0 HA TYR A 5 3.260 -5.165 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.811 -4.788 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.709 -3.572 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.457 -5.383 -1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.791 -2.620 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.505 -4.710 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.250 -1.948 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.432 -2.215 -5.291 1.00 0.00 H new ATOM 63 N SER A 6 3.835 -7.019 -0.964 1.00 0.00 N ATOM 64 CA SER A 6 4.872 -7.528 -0.078 1.00 0.00 C ATOM 65 C SER A 6 6.176 -7.755 -0.843 1.00 0.00 C ATOM 66 O SER A 6 7.260 -7.731 -0.261 1.00 0.00 O ATOM 67 CB SER A 6 4.398 -8.824 0.579 1.00 0.00 C ATOM 68 OG SER A 6 5.363 -9.318 1.492 1.00 0.00 O ATOM 0 H SER A 6 2.957 -7.537 -0.925 1.00 0.00 H new ATOM 0 HA SER A 6 5.066 -6.788 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.457 -8.648 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.202 -9.573 -0.188 1.00 0.00 H new ATOM 0 HG SER A 6 5.034 -10.147 1.899 1.00 0.00 H new ATOM 74 N SER A 7 6.061 -7.961 -2.153 1.00 0.00 N ATOM 75 CA SER A 7 7.226 -8.174 -3.003 1.00 0.00 C ATOM 76 C SER A 7 7.624 -6.874 -3.703 1.00 0.00 C ATOM 77 O SER A 7 8.788 -6.676 -4.050 1.00 0.00 O ATOM 78 CB SER A 7 6.938 -9.261 -4.040 1.00 0.00 C ATOM 79 OG SER A 7 8.065 -10.098 -4.230 1.00 0.00 O ATOM 0 H SER A 7 5.170 -7.985 -2.648 1.00 0.00 H new ATOM 0 HA SER A 7 8.054 -8.499 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.087 -9.860 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.661 -8.799 -4.988 1.00 0.00 H new ATOM 0 HG SER A 7 7.854 -10.785 -4.896 1.00 0.00 H new ATOM 85 N LEU A 8 6.646 -5.992 -3.902 1.00 0.00 N ATOM 86 CA LEU A 8 6.886 -4.707 -4.554 1.00 0.00 C ATOM 87 C LEU A 8 7.939 -3.903 -3.790 1.00 0.00 C ATOM 88 O LEU A 8 8.662 -4.447 -2.956 1.00 0.00 O ATOM 89 CB LEU A 8 5.578 -3.911 -4.636 1.00 0.00 C ATOM 90 CG LEU A 8 4.975 -3.775 -6.035 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.785 -4.704 -6.188 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.561 -2.336 -6.304 1.00 0.00 C ATOM 0 H LEU A 8 5.678 -6.145 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 8 7.257 -4.894 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.843 -4.387 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.756 -2.912 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 8 5.734 -4.056 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.366 -4.597 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.106 -5.735 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.027 -4.449 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.135 -2.261 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.818 -2.028 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.434 -1.687 -6.232 1.00 0.00 H new ATOM 104 N THR A 9 8.010 -2.605 -4.070 1.00 0.00 N ATOM 105 CA THR A 9 8.963 -1.732 -3.396 1.00 0.00 C ATOM 106 C THR A 9 8.231 -0.709 -2.537 1.00 0.00 C ATOM 107 O THR A 9 7.043 -0.452 -2.733 1.00 0.00 O ATOM 108 CB THR A 9 9.877 -1.021 -4.406 1.00 0.00 C ATOM 109 OG1 THR A 9 10.192 0.290 -3.965 1.00 0.00 O ATOM 110 CG2 THR A 9 9.281 -0.904 -5.794 1.00 0.00 C ATOM 0 H THR A 9 7.420 -2.136 -4.757 1.00 0.00 H new ATOM 0 HA THR A 9 9.588 -2.352 -2.753 1.00 0.00 H new ATOM 0 HB THR A 9 10.767 -1.647 -4.466 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.930 0.647 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.984 -0.391 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.078 -1.900 -6.188 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.352 -0.337 -5.744 1.00 0.00 H new ATOM 118 N VAL A 10 8.946 -0.132 -1.584 1.00 0.00 N ATOM 119 CA VAL A 10 8.371 0.861 -0.689 1.00 0.00 C ATOM 120 C VAL A 10 7.938 2.109 -1.444 1.00 0.00 C ATOM 121 O VAL A 10 6.979 2.771 -1.059 1.00 0.00 O ATOM 122 CB VAL A 10 9.378 1.282 0.392 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.592 0.161 1.396 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.690 1.698 -0.256 1.00 0.00 C ATOM 0 H VAL A 10 9.930 -0.335 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 10 7.502 0.394 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 10 8.975 2.137 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.309 0.482 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.644 -0.084 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.977 -0.720 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.399 1.995 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.099 0.860 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.513 2.537 -0.929 1.00 0.00 H new ATOM 134 N VAL A 11 8.663 2.433 -2.510 1.00 0.00 N ATOM 135 CA VAL A 11 8.366 3.617 -3.306 1.00 0.00 C ATOM 136 C VAL A 11 7.058 3.467 -4.069 1.00 0.00 C ATOM 137 O VAL A 11 6.237 4.385 -4.104 1.00 0.00 O ATOM 138 CB VAL A 11 9.509 3.923 -4.299 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.852 3.823 -3.600 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.465 2.985 -5.498 1.00 0.00 C ATOM 0 H VAL A 11 9.461 1.891 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 11 8.268 4.449 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 11 9.374 4.941 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.649 4.041 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.890 4.541 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.983 2.815 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.282 3.226 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.568 1.955 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.514 3.103 -6.017 1.00 0.00 H new ATOM 150 N GLN A 12 6.867 2.306 -4.676 1.00 0.00 N ATOM 151 CA GLN A 12 5.655 2.046 -5.437 1.00 0.00 C ATOM 152 C GLN A 12 4.486 1.841 -4.497 1.00 0.00 C ATOM 153 O GLN A 12 3.384 2.329 -4.741 1.00 0.00 O ATOM 154 CB GLN A 12 5.826 0.816 -6.329 1.00 0.00 C ATOM 155 CG GLN A 12 6.108 1.156 -7.782 1.00 0.00 C ATOM 156 CD GLN A 12 7.586 1.339 -8.063 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.079 2.464 -8.148 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.302 0.231 -8.213 1.00 0.00 N ATOM 0 H GLN A 12 7.532 1.533 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 12 5.459 2.909 -6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.643 0.207 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.922 0.209 -6.275 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.717 0.363 -8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.576 2.070 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.853 -0.681 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.302 0.292 -8.407 1.00 0.00 H new ATOM 167 N LEU A 13 4.740 1.112 -3.420 1.00 0.00 N ATOM 168 CA LEU A 13 3.714 0.832 -2.433 1.00 0.00 C ATOM 169 C LEU A 13 3.100 2.122 -1.901 1.00 0.00 C ATOM 170 O LEU A 13 1.889 2.318 -1.967 1.00 0.00 O ATOM 171 CB LEU A 13 4.289 0.002 -1.284 1.00 0.00 C ATOM 172 CG LEU A 13 3.910 -1.479 -1.309 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.977 -2.284 -2.028 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.709 -2.007 0.102 1.00 0.00 C ATOM 0 H LEU A 13 5.651 0.704 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 13 2.926 0.257 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.376 0.085 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.953 0.432 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 13 2.970 -1.583 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.694 -3.337 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.075 -1.925 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.930 -2.170 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.440 -3.062 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.632 -1.890 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.910 -1.448 0.589 1.00 0.00 H new ATOM 186 N LYS A 14 3.937 3.004 -1.375 1.00 0.00 N ATOM 187 CA LYS A 14 3.455 4.268 -0.838 1.00 0.00 C ATOM 188 C LYS A 14 2.975 5.196 -1.952 1.00 0.00 C ATOM 189 O LYS A 14 2.073 6.005 -1.744 1.00 0.00 O ATOM 190 CB LYS A 14 4.542 4.950 -0.014 1.00 0.00 C ATOM 191 CG LYS A 14 5.730 5.415 -0.836 1.00 0.00 C ATOM 192 CD LYS A 14 6.760 6.139 0.018 1.00 0.00 C ATOM 193 CE LYS A 14 6.118 7.209 0.891 1.00 0.00 C ATOM 194 NZ LYS A 14 6.929 8.457 0.927 1.00 0.00 N ATOM 0 H LYS A 14 4.946 2.870 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 14 2.606 4.051 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.110 5.808 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.891 4.259 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.197 4.556 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.386 6.078 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.280 5.419 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.510 6.597 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.121 7.435 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.996 6.826 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.458 9.160 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.872 8.247 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.024 8.837 -0.036 1.00 0.00 H new ATOM 208 N ASP A 15 3.570 5.072 -3.137 1.00 0.00 N ATOM 209 CA ASP A 15 3.179 5.905 -4.268 1.00 0.00 C ATOM 210 C ASP A 15 1.741 5.600 -4.667 1.00 0.00 C ATOM 211 O ASP A 15 0.902 6.500 -4.774 1.00 0.00 O ATOM 212 CB ASP A 15 4.122 5.672 -5.453 1.00 0.00 C ATOM 213 CG ASP A 15 3.733 6.482 -6.675 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.391 7.672 -6.514 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.769 5.924 -7.792 1.00 0.00 O ATOM 0 H ASP A 15 4.318 4.408 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 15 3.248 6.952 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.139 5.930 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.123 4.612 -5.709 1.00 0.00 H new ATOM 220 N LEU A 16 1.456 4.319 -4.855 1.00 0.00 N ATOM 221 CA LEU A 16 0.120 3.884 -5.210 1.00 0.00 C ATOM 222 C LEU A 16 -0.822 4.142 -4.043 1.00 0.00 C ATOM 223 O LEU A 16 -2.010 4.395 -4.228 1.00 0.00 O ATOM 224 CB LEU A 16 0.134 2.398 -5.613 1.00 0.00 C ATOM 225 CG LEU A 16 -0.382 1.392 -4.573 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.230 0.318 -5.236 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.778 0.756 -3.828 1.00 0.00 C ATOM 0 H LEU A 16 2.136 3.564 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.237 4.451 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.462 2.286 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.158 2.126 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.004 1.932 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.585 -0.383 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.084 0.782 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.630 -0.216 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.394 0.046 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.423 0.235 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.351 1.530 -3.318 1.00 0.00 H new ATOM 239 N LEU A 17 -0.272 4.063 -2.835 1.00 0.00 N ATOM 240 CA LEU A 17 -1.049 4.276 -1.625 1.00 0.00 C ATOM 241 C LEU A 17 -1.686 5.655 -1.607 1.00 0.00 C ATOM 242 O LEU A 17 -2.904 5.790 -1.490 1.00 0.00 O ATOM 243 CB LEU A 17 -0.141 4.147 -0.414 1.00 0.00 C ATOM 244 CG LEU A 17 -0.017 2.745 0.155 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.041 2.719 1.248 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.366 2.277 0.679 1.00 0.00 C ATOM 0 H LEU A 17 0.712 3.852 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.840 3.526 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.853 4.500 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.511 4.808 0.369 1.00 0.00 H new ATOM 0 HG LEU A 17 0.296 2.060 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.123 1.709 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.001 3.023 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.757 3.406 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.269 1.270 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.707 2.954 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.091 2.271 -0.135 1.00 0.00 H new ATOM 258 N THR A 18 -0.853 6.679 -1.738 1.00 0.00 N ATOM 259 CA THR A 18 -1.346 8.051 -1.747 1.00 0.00 C ATOM 260 C THR A 18 -2.204 8.265 -2.981 1.00 0.00 C ATOM 261 O THR A 18 -3.176 9.020 -2.956 1.00 0.00 O ATOM 262 CB THR A 18 -0.196 9.071 -1.696 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.521 10.239 -2.431 1.00 0.00 O ATOM 264 CG2 THR A 18 1.116 8.546 -2.233 1.00 0.00 C ATOM 0 H THR A 18 0.158 6.588 -1.839 1.00 0.00 H new ATOM 0 HA THR A 18 -1.948 8.209 -0.852 1.00 0.00 H new ATOM 0 HB THR A 18 -0.068 9.289 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.224 10.874 -2.383 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.876 9.325 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.428 7.680 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.992 8.254 -3.276 1.00 0.00 H new ATOM 272 N LYS A 19 -1.849 7.574 -4.060 1.00 0.00 N ATOM 273 CA LYS A 19 -2.602 7.670 -5.297 1.00 0.00 C ATOM 274 C LYS A 19 -3.950 6.954 -5.162 1.00 0.00 C ATOM 275 O LYS A 19 -4.866 7.183 -5.952 1.00 0.00 O ATOM 276 CB LYS A 19 -1.803 7.070 -6.456 1.00 0.00 C ATOM 277 CG LYS A 19 -0.982 8.094 -7.223 1.00 0.00 C ATOM 278 CD LYS A 19 0.421 7.587 -7.508 1.00 0.00 C ATOM 279 CE LYS A 19 1.046 8.311 -8.690 1.00 0.00 C ATOM 280 NZ LYS A 19 1.908 7.409 -9.502 1.00 0.00 N ATOM 0 H LYS A 19 -1.047 6.945 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.786 8.724 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.137 6.300 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.491 6.578 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.481 8.331 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.925 9.019 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.045 7.724 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.388 6.517 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.258 8.724 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.639 9.151 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.471 7.975 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.545 6.879 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.311 6.742 -10.032 1.00 0.00 H new ATOM 351 N SER A 23 -3.169 6.156 2.192 1.00 0.00 N ATOM 352 CA SER A 23 -2.039 6.834 2.824 1.00 0.00 C ATOM 353 C SER A 23 -0.835 5.915 2.915 1.00 0.00 C ATOM 354 O SER A 23 -0.868 4.771 2.463 1.00 0.00 O ATOM 355 CB SER A 23 -2.372 7.340 4.225 1.00 0.00 C ATOM 356 OG SER A 23 -2.985 8.616 4.182 1.00 0.00 O ATOM 0 HA SER A 23 -1.809 7.691 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.036 6.632 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.461 7.392 4.821 1.00 0.00 H new ATOM 0 HG SER A 23 -3.188 8.912 5.094 1.00 0.00 H new ATOM 362 N VAL A 24 0.230 6.437 3.500 1.00 0.00 N ATOM 363 CA VAL A 24 1.464 5.693 3.653 1.00 0.00 C ATOM 364 C VAL A 24 1.978 5.746 5.093 1.00 0.00 C ATOM 365 O VAL A 24 3.035 5.198 5.401 1.00 0.00 O ATOM 366 CB VAL A 24 2.533 6.251 2.702 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.926 6.487 1.327 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.115 7.542 3.260 1.00 0.00 C ATOM 0 H VAL A 24 0.262 7.383 3.880 1.00 0.00 H new ATOM 0 HA VAL A 24 1.258 4.652 3.406 1.00 0.00 H new ATOM 0 HB VAL A 24 3.341 5.525 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.688 6.883 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.547 5.545 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.107 7.202 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.871 7.926 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.321 8.280 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.570 7.346 4.231 1.00 0.00 H new ATOM 378 N GLY A 25 1.228 6.409 5.971 1.00 0.00 N ATOM 379 CA GLY A 25 1.632 6.510 7.361 1.00 0.00 C ATOM 380 C GLY A 25 1.566 5.174 8.074 1.00 0.00 C ATOM 381 O GLY A 25 0.778 4.993 9.002 1.00 0.00 O ATOM 0 H GLY A 25 0.350 6.876 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.649 6.899 7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.989 7.226 7.874 1.00 0.00 H new ATOM 385 N GLY A 26 2.398 4.236 7.635 1.00 0.00 N ATOM 386 CA GLY A 26 2.427 2.918 8.237 1.00 0.00 C ATOM 387 C GLY A 26 3.755 2.228 8.010 1.00 0.00 C ATOM 388 O GLY A 26 4.677 2.371 8.810 1.00 0.00 O ATOM 0 H GLY A 26 3.057 4.368 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.239 3.003 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.625 2.310 7.820 1.00 0.00 H new ATOM 392 N LEU A 27 3.850 1.480 6.913 1.00 0.00 N ATOM 393 CA LEU A 27 5.069 0.758 6.558 1.00 0.00 C ATOM 394 C LEU A 27 4.802 -0.178 5.387 1.00 0.00 C ATOM 395 O LEU A 27 3.653 -0.419 5.037 1.00 0.00 O ATOM 396 CB LEU A 27 5.581 -0.036 7.757 1.00 0.00 C ATOM 397 CG LEU A 27 7.020 0.271 8.177 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.001 -0.250 7.142 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.218 1.766 8.391 1.00 0.00 C ATOM 0 H LEU A 27 3.087 1.358 6.247 1.00 0.00 H new ATOM 0 HA LEU A 27 5.830 1.481 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.924 0.154 8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.506 -1.099 7.527 1.00 0.00 H new ATOM 0 HG LEU A 27 7.210 -0.236 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.019 -0.022 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.885 -1.329 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.804 0.227 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.249 1.958 8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.003 2.298 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.544 2.114 9.173 1.00 0.00 H new ATOM 411 N LYS A 28 5.863 -0.705 4.781 1.00 0.00 N ATOM 412 CA LYS A 28 5.714 -1.612 3.647 1.00 0.00 C ATOM 413 C LYS A 28 4.692 -2.705 3.952 1.00 0.00 C ATOM 414 O LYS A 28 3.682 -2.833 3.261 1.00 0.00 O ATOM 415 CB LYS A 28 7.061 -2.242 3.289 1.00 0.00 C ATOM 416 CG LYS A 28 7.222 -2.534 1.806 1.00 0.00 C ATOM 417 CD LYS A 28 8.588 -3.124 1.498 1.00 0.00 C ATOM 418 CE LYS A 28 8.551 -3.995 0.253 1.00 0.00 C ATOM 419 NZ LYS A 28 8.471 -5.443 0.588 1.00 0.00 N ATOM 0 H LYS A 28 6.828 -0.521 5.054 1.00 0.00 H new ATOM 0 HA LYS A 28 5.355 -1.032 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.861 -1.574 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.179 -3.170 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.445 -3.227 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.085 -1.615 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.310 -2.319 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.930 -3.716 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.693 -3.716 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.443 -3.810 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.887 -5.932 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.427 -5.852 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.043 -5.559 1.529 1.00 0.00 H new ATOM 433 N ASN A 29 4.947 -3.478 5.006 1.00 0.00 N ATOM 434 CA ASN A 29 4.030 -4.543 5.402 1.00 0.00 C ATOM 435 C ASN A 29 2.636 -3.974 5.623 1.00 0.00 C ATOM 436 O ASN A 29 1.635 -4.537 5.172 1.00 0.00 O ATOM 437 CB ASN A 29 4.527 -5.229 6.677 1.00 0.00 C ATOM 438 CG ASN A 29 4.668 -4.262 7.837 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.453 -3.314 7.777 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.909 -4.497 8.900 1.00 0.00 N ATOM 0 H ASN A 29 5.774 -3.388 5.596 1.00 0.00 H new ATOM 0 HA ASN A 29 3.989 -5.283 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.834 -6.024 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.490 -5.700 6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.962 -3.880 9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.273 -5.294 8.906 1.00 0.00 H new ATOM 447 N GLU A 30 2.584 -2.836 6.303 1.00 0.00 N ATOM 448 CA GLU A 30 1.322 -2.164 6.571 1.00 0.00 C ATOM 449 C GLU A 30 0.708 -1.665 5.268 1.00 0.00 C ATOM 450 O GLU A 30 -0.511 -1.556 5.145 1.00 0.00 O ATOM 451 CB GLU A 30 1.538 -0.994 7.533 1.00 0.00 C ATOM 452 CG GLU A 30 1.324 -1.359 8.992 1.00 0.00 C ATOM 453 CD GLU A 30 -0.120 -1.705 9.300 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.899 -0.780 9.609 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.471 -2.902 9.232 1.00 0.00 O ATOM 0 H GLU A 30 3.404 -2.359 6.679 1.00 0.00 H new ATOM 0 HA GLU A 30 0.638 -2.875 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.552 -0.613 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.858 -0.185 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.960 -2.207 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.636 -0.525 9.621 1.00 0.00 H new ATOM 462 N TRP A 31 1.570 -1.359 4.302 1.00 0.00 N ATOM 463 CA TRP A 31 1.133 -0.864 3.007 1.00 0.00 C ATOM 464 C TRP A 31 0.475 -1.972 2.200 1.00 0.00 C ATOM 465 O TRP A 31 -0.617 -1.793 1.664 1.00 0.00 O ATOM 466 CB TRP A 31 2.323 -0.260 2.255 1.00 0.00 C ATOM 467 CG TRP A 31 2.814 1.001 2.899 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.175 1.707 3.876 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.039 1.702 2.632 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.917 2.800 4.230 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.065 2.821 3.487 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.118 1.504 1.759 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.118 3.728 3.498 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.163 2.408 1.773 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.158 3.507 2.639 1.00 0.00 C ATOM 0 H TRP A 31 2.582 -1.447 4.397 1.00 0.00 H new ATOM 0 HA TRP A 31 0.387 -0.083 3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.134 -0.987 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.033 -0.052 1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.221 1.441 4.307 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.656 3.489 4.935 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.132 0.659 1.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.115 4.579 4.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.998 2.264 1.104 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.992 4.194 2.629 1.00 0.00 H new ATOM 486 N VAL A 32 1.124 -3.129 2.137 1.00 0.00 N ATOM 487 CA VAL A 32 0.563 -4.259 1.414 1.00 0.00 C ATOM 488 C VAL A 32 -0.757 -4.676 2.052 1.00 0.00 C ATOM 489 O VAL A 32 -1.696 -5.074 1.365 1.00 0.00 O ATOM 490 CB VAL A 32 1.525 -5.467 1.375 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.858 -5.947 2.778 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.931 -6.596 0.543 1.00 0.00 C ATOM 0 H VAL A 32 2.029 -3.306 2.573 1.00 0.00 H new ATOM 0 HA VAL A 32 0.398 -3.937 0.386 1.00 0.00 H new ATOM 0 HB VAL A 32 2.454 -5.145 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.537 -6.798 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.334 -5.140 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.942 -6.248 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.622 -7.439 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.016 -6.912 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.761 -6.247 -0.475 1.00 0.00 H new ATOM 502 N GLN A 33 -0.822 -4.570 3.376 1.00 0.00 N ATOM 503 CA GLN A 33 -2.027 -4.923 4.111 1.00 0.00 C ATOM 504 C GLN A 33 -3.166 -3.959 3.784 1.00 0.00 C ATOM 505 O GLN A 33 -4.272 -4.384 3.448 1.00 0.00 O ATOM 506 CB GLN A 33 -1.753 -4.918 5.616 1.00 0.00 C ATOM 507 CG GLN A 33 -1.306 -6.266 6.158 1.00 0.00 C ATOM 508 CD GLN A 33 0.104 -6.235 6.717 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.361 -5.612 7.748 1.00 0.00 O ATOM 510 NE2 GLN A 33 1.026 -6.907 6.037 1.00 0.00 N ATOM 0 H GLN A 33 -0.053 -4.242 3.960 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.326 -5.926 3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.986 -4.175 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.656 -4.607 6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.995 -6.585 6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.361 -7.009 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.768 -7.409 5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.992 -6.921 6.364 1.00 0.00 H new ATOM 519 N ARG A 34 -2.894 -2.657 3.885 1.00 0.00 N ATOM 520 CA ARG A 34 -3.908 -1.647 3.598 1.00 0.00 C ATOM 521 C ARG A 34 -4.317 -1.687 2.126 1.00 0.00 C ATOM 522 O ARG A 34 -5.501 -1.585 1.804 1.00 0.00 O ATOM 523 CB ARG A 34 -3.415 -0.249 3.980 1.00 0.00 C ATOM 524 CG ARG A 34 -2.205 0.214 3.204 1.00 0.00 C ATOM 525 CD ARG A 34 -1.918 1.678 3.480 1.00 0.00 C ATOM 526 NE ARG A 34 -1.823 1.966 4.908 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.519 2.917 5.531 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.374 3.682 4.863 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.353 3.105 6.832 1.00 0.00 N ATOM 0 H ARG A 34 -1.987 -2.281 4.161 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.785 -1.875 4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.225 0.464 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.177 -0.238 5.044 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.339 -0.389 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.373 0.066 2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.985 1.961 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.706 2.289 3.040 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.182 1.402 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.505 3.546 3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.900 4.406 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.695 2.524 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.883 3.831 7.314 1.00 0.00 H new ATOM 543 N LEU A 35 -3.341 -1.851 1.235 1.00 0.00 N ATOM 544 CA LEU A 35 -3.624 -1.922 -0.194 1.00 0.00 C ATOM 545 C LEU A 35 -4.496 -3.133 -0.494 1.00 0.00 C ATOM 546 O LEU A 35 -5.544 -3.018 -1.129 1.00 0.00 O ATOM 547 CB LEU A 35 -2.329 -2.019 -1.001 1.00 0.00 C ATOM 548 CG LEU A 35 -1.420 -0.792 -0.954 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.064 -1.138 -1.535 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.034 0.372 -1.713 1.00 0.00 C ATOM 0 H LEU A 35 -2.354 -1.937 1.477 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.150 -1.011 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.764 -2.880 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.586 -2.217 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.301 -0.490 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.582 -0.260 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.386 -1.943 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.183 -1.460 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.366 1.232 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.184 0.089 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.994 0.632 -1.266 1.00 0.00 H new ATOM 562 N ILE A 36 -4.061 -4.296 -0.013 1.00 0.00 N ATOM 563 CA ILE A 36 -4.805 -5.533 -0.212 1.00 0.00 C ATOM 564 C ILE A 36 -6.237 -5.368 0.285 1.00 0.00 C ATOM 565 O ILE A 36 -7.183 -5.865 -0.328 1.00 0.00 O ATOM 566 CB ILE A 36 -4.130 -6.716 0.517 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.819 -7.099 -0.176 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.063 -7.920 0.581 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.955 -8.027 0.648 1.00 0.00 C ATOM 0 H ILE A 36 -3.196 -4.405 0.517 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.815 -5.752 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.907 -6.400 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.046 -7.576 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.256 -6.193 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.565 -8.739 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.971 -7.649 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.322 -8.234 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.042 -8.258 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.698 -7.544 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.501 -8.949 0.850 1.00 0.00 H new ATOM 581 N LYS A 37 -6.389 -4.643 1.388 1.00 0.00 N ATOM 582 CA LYS A 37 -7.700 -4.386 1.956 1.00 0.00 C ATOM 583 C LYS A 37 -8.450 -3.401 1.073 1.00 0.00 C ATOM 584 O LYS A 37 -9.675 -3.456 0.958 1.00 0.00 O ATOM 585 CB LYS A 37 -7.571 -3.833 3.377 1.00 0.00 C ATOM 586 CG LYS A 37 -8.529 -4.472 4.368 1.00 0.00 C ATOM 587 CD LYS A 37 -8.086 -4.236 5.803 1.00 0.00 C ATOM 588 CE LYS A 37 -8.791 -3.036 6.413 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.099 -1.759 6.087 1.00 0.00 N ATOM 0 H LYS A 37 -5.616 -4.224 1.905 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.256 -5.322 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.549 -3.983 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.747 -2.757 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.529 -4.064 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.591 -5.543 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.294 -5.124 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.008 -4.079 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.818 -2.995 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.840 -3.156 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.495 -0.992 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.083 -1.854 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.235 -1.538 5.080 1.00 0.00 H new ATOM 603 N ASP A 38 -7.697 -2.506 0.440 1.00 0.00 N ATOM 604 CA ASP A 38 -8.276 -1.513 -0.447 1.00 0.00 C ATOM 605 C ASP A 38 -8.885 -2.187 -1.670 1.00 0.00 C ATOM 606 O ASP A 38 -10.011 -1.887 -2.066 1.00 0.00 O ATOM 607 CB ASP A 38 -7.210 -0.509 -0.882 1.00 0.00 C ATOM 608 CG ASP A 38 -7.784 0.617 -1.718 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.374 1.550 -1.133 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.645 0.567 -2.959 1.00 0.00 O ATOM 0 H ASP A 38 -6.682 -2.452 0.528 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.062 -0.984 0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.726 -0.092 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.439 -1.026 -1.454 1.00 0.00 H new ATOM 615 N ASP A 39 -8.128 -3.108 -2.257 1.00 0.00 N ATOM 616 CA ASP A 39 -8.582 -3.839 -3.432 1.00 0.00 C ATOM 617 C ASP A 39 -9.700 -4.808 -3.058 1.00 0.00 C ATOM 618 O ASP A 39 -10.588 -5.088 -3.863 1.00 0.00 O ATOM 619 CB ASP A 39 -7.414 -4.603 -4.061 1.00 0.00 C ATOM 620 CG ASP A 39 -7.825 -5.380 -5.296 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.465 -4.954 -6.414 1.00 0.00 O ATOM 622 OD2 ASP A 39 -8.508 -6.415 -5.146 1.00 0.00 O ATOM 0 H ASP A 39 -7.195 -3.366 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.969 -3.124 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.624 -3.900 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.996 -5.291 -3.326 1.00 0.00 H new ATOM 627 N GLU A 40 -9.647 -5.315 -1.831 1.00 0.00 N ATOM 628 CA GLU A 40 -10.655 -6.252 -1.346 1.00 0.00 C ATOM 629 C GLU A 40 -11.909 -5.521 -0.880 1.00 0.00 C ATOM 630 O GLU A 40 -12.991 -6.106 -0.819 1.00 0.00 O ATOM 631 CB GLU A 40 -10.090 -7.106 -0.207 1.00 0.00 C ATOM 632 CG GLU A 40 -9.695 -8.509 -0.638 1.00 0.00 C ATOM 633 CD GLU A 40 -10.692 -9.559 -0.190 1.00 0.00 C ATOM 634 OE1 GLU A 40 -11.219 -10.287 -1.058 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.947 -9.655 1.029 1.00 0.00 O ATOM 0 H GLU A 40 -8.917 -5.093 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.929 -6.904 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.218 -6.605 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.833 -7.174 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.604 -8.539 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.713 -8.748 -0.229 1.00 0.00 H new