USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 473 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 2 LYS NZ :NH3+ -133:sc= 1.12 (180deg=-1.84) USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= -0.028 (180deg=-0.306) USER MOD Single : A 7 SER OG : rot 180:sc= -0.295 USER MOD Single : A 8 TYR OH : rot 61:sc= 0.974 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= -1.39 (180deg=-3.69!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 103:sc= 0.78 USER MOD Single : A 28 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0928) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 46 MET CE :methyl -154:sc= -0.0343 (180deg=-0.511) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 52 THR OG1 : rot 110:sc= -2.27 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 12.036 1.295 -1.378 1.00 0.00 N ATOM 21 CA LYS A 2 10.624 1.733 -1.179 1.00 0.00 C ATOM 22 C LYS A 2 9.973 2.004 -2.535 1.00 0.00 C ATOM 23 O LYS A 2 10.465 1.587 -3.564 1.00 0.00 O ATOM 24 CB LYS A 2 10.592 3.010 -0.338 1.00 0.00 C ATOM 25 CG LYS A 2 11.376 4.118 -1.049 1.00 0.00 C ATOM 26 CD LYS A 2 11.433 5.370 -0.164 1.00 0.00 C ATOM 27 CE LYS A 2 10.047 6.019 -0.068 1.00 0.00 C ATOM 28 NZ LYS A 2 10.189 7.405 0.459 1.00 0.00 N ATOM 0 HA LYS A 2 10.076 0.945 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.561 3.326 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.023 2.820 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.386 3.774 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.902 4.357 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.787 5.104 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.148 6.082 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.572 6.037 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.403 5.433 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.490 7.563 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.147 7.534 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.029 8.087 -0.310 1.00 0.00 H new ATOM 42 N GLY A 3 8.869 2.703 -2.547 1.00 0.00 N ATOM 43 CA GLY A 3 8.196 2.996 -3.840 1.00 0.00 C ATOM 44 C GLY A 3 7.060 3.998 -3.620 1.00 0.00 C ATOM 45 O GLY A 3 6.957 4.607 -2.575 1.00 0.00 O ATOM 0 H GLY A 3 8.408 3.081 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.916 3.400 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.803 2.076 -4.272 1.00 0.00 H new ATOM 49 N LYS A 4 6.210 4.172 -4.606 1.00 0.00 N ATOM 50 CA LYS A 4 5.070 5.136 -4.479 1.00 0.00 C ATOM 51 C LYS A 4 3.761 4.427 -4.823 1.00 0.00 C ATOM 52 O LYS A 4 3.707 3.591 -5.703 1.00 0.00 O ATOM 53 CB LYS A 4 5.286 6.305 -5.452 1.00 0.00 C ATOM 54 CG LYS A 4 6.246 7.330 -4.833 1.00 0.00 C ATOM 55 CD LYS A 4 6.565 8.446 -5.849 1.00 0.00 C ATOM 56 CE LYS A 4 7.769 8.050 -6.706 1.00 0.00 C ATOM 57 NZ LYS A 4 9.006 8.150 -5.882 1.00 0.00 N ATOM 0 H LYS A 4 6.258 3.683 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 4 5.022 5.511 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.693 5.935 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.332 6.780 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.800 7.761 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.167 6.836 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.699 8.626 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.774 9.378 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.647 7.033 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.843 8.703 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.830 8.270 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.933 8.968 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.120 7.282 -5.321 1.00 0.00 H new ATOM 71 N VAL A 5 2.707 4.758 -4.133 1.00 0.00 N ATOM 72 CA VAL A 5 1.401 4.108 -4.413 1.00 0.00 C ATOM 73 C VAL A 5 0.814 4.667 -5.720 1.00 0.00 C ATOM 74 O VAL A 5 0.362 5.793 -5.778 1.00 0.00 O ATOM 75 CB VAL A 5 0.457 4.391 -3.232 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.680 5.829 -2.733 1.00 0.00 C ATOM 77 CG2 VAL A 5 -1.009 4.199 -3.658 1.00 0.00 C ATOM 0 H VAL A 5 2.695 5.452 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 5 1.528 3.032 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 5 0.674 3.690 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.012 6.031 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.714 5.945 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.472 6.531 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.664 4.403 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.244 4.885 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.159 3.173 -3.993 1.00 0.00 H new ATOM 87 N VAL A 6 0.807 3.879 -6.761 1.00 0.00 N ATOM 88 CA VAL A 6 0.236 4.353 -8.051 1.00 0.00 C ATOM 89 C VAL A 6 -1.284 4.495 -7.920 1.00 0.00 C ATOM 90 O VAL A 6 -1.870 5.423 -8.440 1.00 0.00 O ATOM 91 CB VAL A 6 0.577 3.351 -9.156 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.029 1.970 -8.792 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.043 3.810 -10.476 1.00 0.00 C ATOM 0 H VAL A 6 1.173 2.927 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 6 0.661 5.324 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 6 1.660 3.294 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.275 1.261 -9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.475 1.637 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.054 2.026 -8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.202 3.094 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.126 3.873 -10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.353 4.790 -10.742 1.00 0.00 H new ATOM 103 N SER A 7 -1.939 3.589 -7.235 1.00 0.00 N ATOM 104 CA SER A 7 -3.422 3.709 -7.098 1.00 0.00 C ATOM 105 C SER A 7 -3.927 2.896 -5.903 1.00 0.00 C ATOM 106 O SER A 7 -3.235 2.053 -5.368 1.00 0.00 O ATOM 107 CB SER A 7 -4.097 3.202 -8.374 1.00 0.00 C ATOM 108 OG SER A 7 -3.589 1.917 -8.701 1.00 0.00 O ATOM 0 H SER A 7 -1.518 2.784 -6.772 1.00 0.00 H new ATOM 0 HA SER A 7 -3.669 4.758 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.177 3.152 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.915 3.896 -9.195 1.00 0.00 H new ATOM 0 HG SER A 7 -4.023 1.592 -9.517 1.00 0.00 H new ATOM 114 N TYR A 8 -5.142 3.148 -5.494 1.00 0.00 N ATOM 115 CA TYR A 8 -5.729 2.404 -4.345 1.00 0.00 C ATOM 116 C TYR A 8 -7.252 2.460 -4.458 1.00 0.00 C ATOM 117 O TYR A 8 -7.843 3.516 -4.362 1.00 0.00 O ATOM 118 CB TYR A 8 -5.282 3.049 -3.024 1.00 0.00 C ATOM 119 CG TYR A 8 -6.093 2.479 -1.878 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.908 1.150 -1.484 1.00 0.00 C ATOM 121 CD2 TYR A 8 -7.035 3.278 -1.215 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.661 0.615 -0.433 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.788 2.743 -0.161 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.600 1.411 0.229 1.00 0.00 C ATOM 125 OH TYR A 8 -8.343 0.884 1.266 1.00 0.00 O ATOM 0 H TYR A 8 -5.758 3.845 -5.912 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.391 1.368 -4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.221 2.864 -2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.413 4.130 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.181 0.534 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.180 4.305 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.517 -0.413 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.513 3.358 0.351 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.743 0.596 1.985 1.00 0.00 H new ATOM 135 N LEU A 9 -7.890 1.333 -4.676 1.00 0.00 N ATOM 136 CA LEU A 9 -9.380 1.315 -4.812 1.00 0.00 C ATOM 137 C LEU A 9 -10.001 0.541 -3.647 1.00 0.00 C ATOM 138 O LEU A 9 -9.865 -0.661 -3.537 1.00 0.00 O ATOM 139 CB LEU A 9 -9.753 0.643 -6.140 1.00 0.00 C ATOM 140 CG LEU A 9 -9.172 1.459 -7.328 1.00 0.00 C ATOM 141 CD1 LEU A 9 -7.806 0.900 -7.749 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.125 1.391 -8.531 1.00 0.00 C ATOM 0 H LEU A 9 -7.439 0.422 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.760 2.336 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.366 -0.376 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.837 0.574 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.057 2.493 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.415 1.484 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.114 0.958 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.917 -0.140 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.709 1.966 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.250 0.353 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.093 1.806 -8.252 1.00 0.00 H new ATOM 154 N ALA A 10 -10.689 1.234 -2.786 1.00 0.00 N ATOM 155 CA ALA A 10 -11.340 0.577 -1.622 1.00 0.00 C ATOM 156 C ALA A 10 -12.451 -0.359 -2.110 1.00 0.00 C ATOM 157 O ALA A 10 -12.705 -1.394 -1.528 1.00 0.00 O ATOM 158 CB ALA A 10 -11.932 1.658 -0.723 1.00 0.00 C ATOM 0 H ALA A 10 -10.830 2.243 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.608 -0.009 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.414 1.193 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.138 2.320 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.668 2.234 -1.283 1.00 0.00 H new ATOM 164 N ALA A 11 -13.123 0.004 -3.167 1.00 0.00 N ATOM 165 CA ALA A 11 -14.223 -0.855 -3.687 1.00 0.00 C ATOM 166 C ALA A 11 -13.665 -2.228 -4.058 1.00 0.00 C ATOM 167 O ALA A 11 -14.320 -3.238 -3.901 1.00 0.00 O ATOM 168 CB ALA A 11 -14.830 -0.202 -4.928 1.00 0.00 C ATOM 0 H ALA A 11 -12.957 0.861 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.990 -0.969 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.636 -0.828 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.226 0.779 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.062 -0.090 -5.693 1.00 0.00 H new ATOM 174 N LYS A 12 -12.457 -2.273 -4.543 1.00 0.00 N ATOM 175 CA LYS A 12 -11.844 -3.575 -4.919 1.00 0.00 C ATOM 176 C LYS A 12 -11.059 -4.103 -3.720 1.00 0.00 C ATOM 177 O LYS A 12 -10.524 -5.191 -3.743 1.00 0.00 O ATOM 178 CB LYS A 12 -10.897 -3.358 -6.102 1.00 0.00 C ATOM 179 CG LYS A 12 -11.709 -2.971 -7.344 1.00 0.00 C ATOM 180 CD LYS A 12 -10.763 -2.734 -8.527 1.00 0.00 C ATOM 181 CE LYS A 12 -11.579 -2.341 -9.761 1.00 0.00 C ATOM 182 NZ LYS A 12 -10.662 -2.107 -10.914 1.00 0.00 N ATOM 0 H LYS A 12 -11.864 -1.457 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.614 -4.293 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.177 -2.574 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.327 -4.266 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.419 -3.761 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.290 -2.071 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.049 -1.947 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.186 -3.636 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.292 -3.129 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.158 -1.441 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.218 -1.840 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.999 -1.341 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.129 -2.977 -11.116 1.00 0.00 H new ATOM 196 N LYS A 13 -10.986 -3.327 -2.670 1.00 0.00 N ATOM 197 CA LYS A 13 -10.239 -3.761 -1.457 1.00 0.00 C ATOM 198 C LYS A 13 -8.816 -4.150 -1.847 1.00 0.00 C ATOM 199 O LYS A 13 -8.055 -4.639 -1.038 1.00 0.00 O ATOM 200 CB LYS A 13 -10.938 -4.958 -0.809 1.00 0.00 C ATOM 201 CG LYS A 13 -12.202 -4.479 -0.096 1.00 0.00 C ATOM 202 CD LYS A 13 -12.980 -5.686 0.437 1.00 0.00 C ATOM 203 CE LYS A 13 -12.165 -6.414 1.516 1.00 0.00 C ATOM 204 NZ LYS A 13 -11.258 -7.399 0.862 1.00 0.00 N ATOM 0 H LYS A 13 -11.416 -2.405 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.210 -2.938 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.193 -5.699 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.269 -5.444 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.938 -3.812 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.825 -3.907 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.933 -5.358 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.207 -6.371 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.585 -5.697 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.832 -6.922 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.397 -8.337 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.473 -7.447 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.270 -7.102 0.994 1.00 0.00 H new ATOM 218 N TYR A 14 -8.447 -3.921 -3.082 1.00 0.00 N ATOM 219 CA TYR A 14 -7.068 -4.257 -3.543 1.00 0.00 C ATOM 220 C TYR A 14 -6.513 -3.065 -4.314 1.00 0.00 C ATOM 221 O TYR A 14 -7.106 -2.604 -5.268 1.00 0.00 O ATOM 222 CB TYR A 14 -7.123 -5.487 -4.452 1.00 0.00 C ATOM 223 CG TYR A 14 -7.711 -6.656 -3.686 1.00 0.00 C ATOM 224 CD1 TYR A 14 -7.063 -7.139 -2.540 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.900 -7.256 -4.120 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.605 -8.217 -1.831 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.440 -8.335 -3.410 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.793 -8.815 -2.266 1.00 0.00 C ATOM 229 OH TYR A 14 -9.324 -9.878 -1.565 1.00 0.00 O ATOM 0 H TYR A 14 -9.049 -3.512 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.426 -4.476 -2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.728 -5.274 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.122 -5.736 -4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.145 -6.679 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.400 -6.886 -5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.106 -8.588 -0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.357 -8.797 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.151 -10.176 -1.999 1.00 0.00 H new ATOM 239 N GLY A 15 -5.384 -2.555 -3.894 1.00 0.00 N ATOM 240 CA GLY A 15 -4.778 -1.373 -4.578 1.00 0.00 C ATOM 241 C GLY A 15 -3.563 -1.803 -5.391 1.00 0.00 C ATOM 242 O GLY A 15 -3.354 -2.972 -5.646 1.00 0.00 O ATOM 0 H GLY A 15 -4.851 -2.910 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.514 -0.904 -5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.485 -0.627 -3.840 1.00 0.00 H new ATOM 246 N PHE A 16 -2.752 -0.860 -5.798 1.00 0.00 N ATOM 247 CA PHE A 16 -1.537 -1.197 -6.592 1.00 0.00 C ATOM 248 C PHE A 16 -0.389 -0.292 -6.157 1.00 0.00 C ATOM 249 O PHE A 16 -0.595 0.858 -5.818 1.00 0.00 O ATOM 250 CB PHE A 16 -1.838 -0.985 -8.071 1.00 0.00 C ATOM 251 CG PHE A 16 -2.891 -1.978 -8.493 1.00 0.00 C ATOM 252 CD1 PHE A 16 -2.520 -3.279 -8.846 1.00 0.00 C ATOM 253 CD2 PHE A 16 -4.238 -1.599 -8.522 1.00 0.00 C ATOM 254 CE1 PHE A 16 -3.496 -4.204 -9.230 1.00 0.00 C ATOM 255 CE2 PHE A 16 -5.214 -2.524 -8.906 1.00 0.00 C ATOM 256 CZ PHE A 16 -4.843 -3.827 -9.260 1.00 0.00 C ATOM 0 H PHE A 16 -2.882 0.134 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.255 -2.237 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.187 0.033 -8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.933 -1.117 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.480 -3.569 -8.822 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.523 -0.594 -8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.210 -5.209 -9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.254 -2.233 -8.930 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.597 -4.541 -9.556 1.00 0.00 H new ATOM 266 N ILE A 17 0.816 -0.806 -6.158 1.00 0.00 N ATOM 267 CA ILE A 17 1.995 0.010 -5.731 1.00 0.00 C ATOM 268 C ILE A 17 3.119 -0.127 -6.757 1.00 0.00 C ATOM 269 O ILE A 17 3.403 -1.206 -7.237 1.00 0.00 O ATOM 270 CB ILE A 17 2.477 -0.496 -4.369 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.383 -0.247 -3.327 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.756 0.243 -3.965 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.725 -0.987 -2.034 1.00 0.00 C ATOM 0 H ILE A 17 1.035 -1.762 -6.438 1.00 0.00 H new ATOM 0 HA ILE A 17 1.710 1.059 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 17 2.689 -1.563 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.289 0.821 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.420 -0.587 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.095 -0.120 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.531 0.064 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.554 1.312 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.944 -0.808 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.796 -2.056 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.679 -0.626 -1.649 1.00 0.00 H new ATOM 285 N GLN A 18 3.762 0.963 -7.100 1.00 0.00 N ATOM 286 CA GLN A 18 4.873 0.903 -8.099 1.00 0.00 C ATOM 287 C GLN A 18 6.215 0.923 -7.361 1.00 0.00 C ATOM 288 O GLN A 18 6.595 1.910 -6.767 1.00 0.00 O ATOM 289 CB GLN A 18 4.774 2.111 -9.032 1.00 0.00 C ATOM 290 CG GLN A 18 5.914 2.058 -10.049 1.00 0.00 C ATOM 291 CD GLN A 18 5.705 3.135 -11.114 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.619 3.660 -11.261 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.708 3.488 -11.869 1.00 0.00 N ATOM 0 H GLN A 18 3.564 1.893 -6.730 1.00 0.00 H new ATOM 0 HA GLN A 18 4.799 -0.013 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.813 2.111 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.827 3.035 -8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.869 2.210 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.952 1.074 -10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.619 3.047 -11.745 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.581 4.205 -12.583 1.00 0.00 H new ATOM 302 N GLY A 19 6.922 -0.174 -7.384 1.00 0.00 N ATOM 303 CA GLY A 19 8.230 -0.248 -6.671 1.00 0.00 C ATOM 304 C GLY A 19 9.277 0.640 -7.350 1.00 0.00 C ATOM 305 O GLY A 19 9.199 0.928 -8.528 1.00 0.00 O ATOM 0 H GLY A 19 6.648 -1.028 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.101 0.063 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.580 -1.280 -6.653 1.00 0.00 H new ATOM 309 N ASP A 20 10.266 1.063 -6.607 1.00 0.00 N ATOM 310 CA ASP A 20 11.336 1.922 -7.189 1.00 0.00 C ATOM 311 C ASP A 20 12.134 1.123 -8.229 1.00 0.00 C ATOM 312 O ASP A 20 12.607 1.665 -9.207 1.00 0.00 O ATOM 313 CB ASP A 20 12.265 2.400 -6.070 1.00 0.00 C ATOM 314 CG ASP A 20 12.892 1.196 -5.364 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.496 0.083 -5.665 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.756 1.408 -4.528 1.00 0.00 O ATOM 0 H ASP A 20 10.378 0.848 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 20 10.886 2.786 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.046 3.039 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.706 3.002 -5.354 1.00 0.00 H new ATOM 321 N ASP A 21 12.286 -0.161 -8.034 1.00 0.00 N ATOM 322 CA ASP A 21 13.048 -0.982 -9.018 1.00 0.00 C ATOM 323 C ASP A 21 12.094 -1.437 -10.125 1.00 0.00 C ATOM 324 O ASP A 21 12.424 -2.273 -10.940 1.00 0.00 O ATOM 325 CB ASP A 21 13.644 -2.206 -8.314 1.00 0.00 C ATOM 326 CG ASP A 21 14.685 -1.751 -7.287 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.229 -0.673 -7.461 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.920 -2.488 -6.343 1.00 0.00 O ATOM 0 H ASP A 21 11.915 -0.676 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 21 13.857 -0.391 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.855 -2.774 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.105 -2.870 -9.045 1.00 0.00 H new ATOM 333 N GLY A 22 10.906 -0.890 -10.157 1.00 0.00 N ATOM 334 CA GLY A 22 9.928 -1.290 -11.208 1.00 0.00 C ATOM 335 C GLY A 22 9.210 -2.568 -10.774 1.00 0.00 C ATOM 336 O GLY A 22 8.581 -3.236 -11.568 1.00 0.00 O ATOM 0 H GLY A 22 10.573 -0.184 -9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.205 -0.491 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.442 -1.452 -12.156 1.00 0.00 H new ATOM 340 N GLU A 23 9.297 -2.921 -9.517 1.00 0.00 N ATOM 341 CA GLU A 23 8.618 -4.163 -9.038 1.00 0.00 C ATOM 342 C GLU A 23 7.241 -3.806 -8.470 1.00 0.00 C ATOM 343 O GLU A 23 7.130 -3.200 -7.423 1.00 0.00 O ATOM 344 CB GLU A 23 9.472 -4.805 -7.945 1.00 0.00 C ATOM 345 CG GLU A 23 10.770 -5.324 -8.563 1.00 0.00 C ATOM 346 CD GLU A 23 11.661 -5.904 -7.466 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.234 -5.908 -6.324 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.758 -6.334 -7.786 1.00 0.00 O ATOM 0 H GLU A 23 9.808 -2.404 -8.802 1.00 0.00 H new ATOM 0 HA GLU A 23 8.494 -4.860 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.692 -4.077 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.927 -5.623 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.550 -6.088 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.289 -4.515 -9.078 1.00 0.00 H new ATOM 355 N SER A 24 6.192 -4.176 -9.151 1.00 0.00 N ATOM 356 CA SER A 24 4.826 -3.856 -8.649 1.00 0.00 C ATOM 357 C SER A 24 4.488 -4.765 -7.467 1.00 0.00 C ATOM 358 O SER A 24 4.840 -5.927 -7.453 1.00 0.00 O ATOM 359 CB SER A 24 3.814 -4.082 -9.771 1.00 0.00 C ATOM 360 OG SER A 24 2.504 -3.842 -9.276 1.00 0.00 O ATOM 0 H SER A 24 6.222 -4.686 -10.034 1.00 0.00 H new ATOM 0 HA SER A 24 4.790 -2.816 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.027 -3.417 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.892 -5.102 -10.147 1.00 0.00 H new ATOM 0 HG SER A 24 1.852 -3.984 -9.994 1.00 0.00 H new ATOM 366 N TYR A 25 3.803 -4.242 -6.475 1.00 0.00 N ATOM 367 CA TYR A 25 3.429 -5.068 -5.282 1.00 0.00 C ATOM 368 C TYR A 25 1.918 -5.007 -5.068 1.00 0.00 C ATOM 369 O TYR A 25 1.310 -3.957 -5.137 1.00 0.00 O ATOM 370 CB TYR A 25 4.151 -4.520 -4.053 1.00 0.00 C ATOM 371 CG TYR A 25 5.625 -4.811 -4.182 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.112 -6.083 -3.864 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.505 -3.813 -4.622 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.479 -6.359 -3.982 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.872 -4.090 -4.742 1.00 0.00 C ATOM 376 CZ TYR A 25 8.359 -5.364 -4.421 1.00 0.00 C ATOM 377 OH TYR A 25 9.707 -5.637 -4.537 1.00 0.00 O ATOM 0 H TYR A 25 3.486 -3.273 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 25 3.721 -6.106 -5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.985 -3.446 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.754 -4.978 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.433 -6.852 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.129 -2.831 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.855 -7.341 -3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.551 -3.322 -5.082 1.00 0.00 H new ATOM 0 HH TYR A 25 9.932 -5.777 -5.480 1.00 0.00 H new ATOM 387 N PHE A 26 1.309 -6.128 -4.811 1.00 0.00 N ATOM 388 CA PHE A 26 -0.161 -6.153 -4.596 1.00 0.00 C ATOM 389 C PHE A 26 -0.488 -5.660 -3.191 1.00 0.00 C ATOM 390 O PHE A 26 0.243 -5.905 -2.253 1.00 0.00 O ATOM 391 CB PHE A 26 -0.663 -7.585 -4.771 1.00 0.00 C ATOM 392 CG PHE A 26 -0.688 -7.918 -6.241 1.00 0.00 C ATOM 393 CD1 PHE A 26 -1.768 -7.501 -7.027 1.00 0.00 C ATOM 394 CD2 PHE A 26 0.369 -8.630 -6.820 1.00 0.00 C ATOM 395 CE1 PHE A 26 -1.794 -7.798 -8.393 1.00 0.00 C ATOM 396 CE2 PHE A 26 0.343 -8.926 -8.188 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.738 -8.510 -8.974 1.00 0.00 C ATOM 0 H PHE A 26 1.771 -7.035 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.649 -5.500 -5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.014 -8.280 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.660 -7.690 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.581 -6.950 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.203 -8.950 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.628 -7.478 -9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.157 -9.475 -8.637 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.757 -8.738 -10.029 1.00 0.00 H new ATOM 407 N LEU A 27 -1.587 -4.964 -3.041 1.00 0.00 N ATOM 408 CA LEU A 27 -1.984 -4.442 -1.699 1.00 0.00 C ATOM 409 C LEU A 27 -3.203 -5.224 -1.209 1.00 0.00 C ATOM 410 O LEU A 27 -4.226 -5.263 -1.863 1.00 0.00 O ATOM 411 CB LEU A 27 -2.347 -2.960 -1.843 1.00 0.00 C ATOM 412 CG LEU A 27 -2.414 -2.283 -0.465 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.423 -0.764 -0.659 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.678 -2.722 0.303 1.00 0.00 C ATOM 0 H LEU A 27 -2.231 -4.734 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.168 -4.555 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.607 -2.458 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.308 -2.863 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.544 -2.580 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.470 -0.273 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.514 -0.458 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.291 -0.478 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.703 -2.229 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.565 -2.445 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.661 -3.803 0.444 1.00 0.00 H new ATOM 426 N HIS A 28 -3.098 -5.850 -0.060 1.00 0.00 N ATOM 427 CA HIS A 28 -4.243 -6.645 0.491 1.00 0.00 C ATOM 428 C HIS A 28 -4.546 -6.197 1.922 1.00 0.00 C ATOM 429 O HIS A 28 -3.674 -5.774 2.655 1.00 0.00 O ATOM 430 CB HIS A 28 -3.867 -8.137 0.488 1.00 0.00 C ATOM 431 CG HIS A 28 -4.179 -8.737 -0.854 1.00 0.00 C ATOM 432 ND1 HIS A 28 -5.027 -9.822 -0.992 1.00 0.00 N ATOM 433 CD2 HIS A 28 -3.785 -8.401 -2.124 1.00 0.00 C ATOM 434 CE1 HIS A 28 -5.118 -10.099 -2.306 1.00 0.00 C ATOM 435 NE2 HIS A 28 -4.379 -9.263 -3.042 1.00 0.00 N ATOM 0 H HIS A 28 -2.262 -5.844 0.524 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.127 -6.485 -0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.807 -8.255 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.418 -8.662 1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.116 -7.591 -2.374 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.716 -10.900 -2.716 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.273 -9.258 -4.056 1.00 0.00 H new ATOM 443 N PHE A 29 -5.781 -6.303 2.317 1.00 0.00 N ATOM 444 CA PHE A 29 -6.180 -5.907 3.691 1.00 0.00 C ATOM 445 C PHE A 29 -5.483 -6.833 4.692 1.00 0.00 C ATOM 446 O PHE A 29 -5.062 -6.418 5.753 1.00 0.00 O ATOM 447 CB PHE A 29 -7.708 -6.044 3.817 1.00 0.00 C ATOM 448 CG PHE A 29 -8.394 -4.796 3.291 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.018 -4.239 2.058 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.406 -4.190 4.046 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.652 -3.084 1.588 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.038 -3.034 3.574 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.660 -2.481 2.346 1.00 0.00 C ATOM 0 H PHE A 29 -6.542 -6.653 1.736 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.891 -4.876 3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.049 -6.917 3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.981 -6.205 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.238 -4.703 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.699 -4.616 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.363 -2.658 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.818 -2.569 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.147 -1.588 1.983 1.00 0.00 H new ATOM 463 N SER A 30 -5.364 -8.086 4.361 1.00 0.00 N ATOM 464 CA SER A 30 -4.700 -9.042 5.283 1.00 0.00 C ATOM 465 C SER A 30 -3.249 -8.611 5.501 1.00 0.00 C ATOM 466 O SER A 30 -2.642 -8.919 6.507 1.00 0.00 O ATOM 467 CB SER A 30 -4.723 -10.433 4.655 1.00 0.00 C ATOM 468 OG SER A 30 -3.637 -10.546 3.746 1.00 0.00 O ATOM 0 H SER A 30 -5.700 -8.490 3.487 1.00 0.00 H new ATOM 0 HA SER A 30 -5.223 -9.057 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.648 -11.197 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.667 -10.597 4.136 1.00 0.00 H new ATOM 0 HG SER A 30 -3.643 -11.437 3.339 1.00 0.00 H new ATOM 474 N GLU A 31 -2.684 -7.909 4.559 1.00 0.00 N ATOM 475 CA GLU A 31 -1.271 -7.467 4.699 1.00 0.00 C ATOM 476 C GLU A 31 -1.196 -6.204 5.561 1.00 0.00 C ATOM 477 O GLU A 31 -0.130 -5.682 5.811 1.00 0.00 O ATOM 478 CB GLU A 31 -0.714 -7.178 3.303 1.00 0.00 C ATOM 479 CG GLU A 31 -0.582 -8.494 2.527 1.00 0.00 C ATOM 480 CD GLU A 31 -0.140 -8.206 1.091 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.039 -7.044 0.766 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.009 -9.155 0.337 1.00 0.00 O ATOM 0 H GLU A 31 -3.143 -7.622 3.695 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.685 -8.249 5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.374 -6.493 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.257 -6.689 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.142 -9.145 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.535 -9.023 2.525 1.00 0.00 H new ATOM 489 N LEU A 32 -2.317 -5.698 6.014 1.00 0.00 N ATOM 490 CA LEU A 32 -2.291 -4.457 6.853 1.00 0.00 C ATOM 491 C LEU A 32 -2.262 -4.820 8.339 1.00 0.00 C ATOM 492 O LEU A 32 -3.147 -5.475 8.853 1.00 0.00 O ATOM 493 CB LEU A 32 -3.534 -3.620 6.549 1.00 0.00 C ATOM 494 CG LEU A 32 -3.590 -3.310 5.047 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.848 -2.490 4.746 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.340 -2.517 4.623 1.00 0.00 C ATOM 0 H LEU A 32 -3.244 -6.087 5.841 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.394 -3.884 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.431 -4.159 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.510 -2.693 7.122 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.620 -4.245 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.891 -2.268 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.731 -3.060 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.818 -1.558 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.390 -2.302 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.297 -1.581 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.447 -3.106 4.833 1.00 0.00 H new ATOM 508 N LEU A 33 -1.240 -4.392 9.028 1.00 0.00 N ATOM 509 CA LEU A 33 -1.122 -4.692 10.481 1.00 0.00 C ATOM 510 C LEU A 33 -2.264 -4.015 11.244 1.00 0.00 C ATOM 511 O LEU A 33 -2.853 -4.595 12.135 1.00 0.00 O ATOM 512 CB LEU A 33 0.225 -4.155 10.980 1.00 0.00 C ATOM 513 CG LEU A 33 1.364 -5.125 10.612 1.00 0.00 C ATOM 514 CD1 LEU A 33 1.311 -6.398 11.479 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.259 -5.502 9.130 1.00 0.00 C ATOM 0 H LEU A 33 -0.474 -3.841 8.641 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.180 -5.768 10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.418 -3.176 10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.191 -4.019 12.061 1.00 0.00 H new ATOM 0 HG LEU A 33 2.315 -4.626 10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.126 -7.064 11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.411 -6.127 12.530 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.358 -6.905 11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.065 -6.188 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.299 -5.984 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.338 -4.603 8.519 1.00 0.00 H new ATOM 527 N ASP A 34 -2.574 -2.785 10.904 1.00 0.00 N ATOM 528 CA ASP A 34 -3.674 -2.046 11.601 1.00 0.00 C ATOM 529 C ASP A 34 -4.784 -1.724 10.597 1.00 0.00 C ATOM 530 O ASP A 34 -4.617 -0.899 9.721 1.00 0.00 O ATOM 531 CB ASP A 34 -3.112 -0.745 12.186 1.00 0.00 C ATOM 532 CG ASP A 34 -2.212 -1.073 13.383 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.282 -2.192 13.861 1.00 0.00 O ATOM 534 OD2 ASP A 34 -1.469 -0.198 13.799 1.00 0.00 O ATOM 0 H ASP A 34 -2.107 -2.258 10.166 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.082 -2.660 12.404 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.544 -0.207 11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.927 -0.091 12.498 1.00 0.00 H new ATOM 539 N LYS A 35 -5.916 -2.366 10.713 1.00 0.00 N ATOM 540 CA LYS A 35 -7.028 -2.089 9.762 1.00 0.00 C ATOM 541 C LYS A 35 -7.514 -0.653 9.977 1.00 0.00 C ATOM 542 O LYS A 35 -8.214 -0.092 9.158 1.00 0.00 O ATOM 543 CB LYS A 35 -8.179 -3.065 10.025 1.00 0.00 C ATOM 544 CG LYS A 35 -7.702 -4.519 9.865 1.00 0.00 C ATOM 545 CD LYS A 35 -7.313 -4.799 8.406 1.00 0.00 C ATOM 546 CE LYS A 35 -7.288 -6.313 8.161 1.00 0.00 C ATOM 547 NZ LYS A 35 -6.231 -6.936 9.007 1.00 0.00 N ATOM 0 H LYS A 35 -6.117 -3.069 11.424 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.681 -2.213 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.569 -2.913 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.997 -2.866 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.848 -4.702 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.492 -5.203 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.025 -4.323 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.334 -4.370 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.260 -6.746 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.094 -6.519 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.049 -7.905 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.357 -6.377 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.549 -6.961 9.997 1.00 0.00 H new ATOM 561 N LYS A 36 -7.141 -0.056 11.074 1.00 0.00 N ATOM 562 CA LYS A 36 -7.564 1.344 11.348 1.00 0.00 C ATOM 563 C LYS A 36 -6.934 2.274 10.309 1.00 0.00 C ATOM 564 O LYS A 36 -7.545 3.219 9.852 1.00 0.00 O ATOM 565 CB LYS A 36 -7.086 1.754 12.739 1.00 0.00 C ATOM 566 CG LYS A 36 -7.828 0.940 13.803 1.00 0.00 C ATOM 567 CD LYS A 36 -7.417 1.417 15.204 1.00 0.00 C ATOM 568 CE LYS A 36 -5.989 0.959 15.533 1.00 0.00 C ATOM 569 NZ LYS A 36 -5.737 1.145 16.992 1.00 0.00 N ATOM 0 H LYS A 36 -6.558 -0.480 11.796 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.651 1.414 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.012 1.591 12.827 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.261 2.819 12.895 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.905 1.050 13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.600 -0.120 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.477 2.504 15.256 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.111 1.023 15.946 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.858 -0.088 15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.267 1.533 14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.770 0.836 17.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.846 2.150 17.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.419 0.579 17.537 1.00 0.00 H new ATOM 583 N ASP A 37 -5.707 2.016 9.945 1.00 0.00 N ATOM 584 CA ASP A 37 -5.022 2.883 8.950 1.00 0.00 C ATOM 585 C ASP A 37 -5.637 2.661 7.569 1.00 0.00 C ATOM 586 O ASP A 37 -5.378 3.397 6.643 1.00 0.00 O ATOM 587 CB ASP A 37 -3.538 2.520 8.913 1.00 0.00 C ATOM 588 CG ASP A 37 -2.861 2.981 10.206 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.460 3.769 10.922 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.752 2.539 10.458 1.00 0.00 O ATOM 0 H ASP A 37 -5.149 1.238 10.297 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.139 3.930 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.420 1.443 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.060 2.990 8.053 1.00 0.00 H new ATOM 595 N GLU A 38 -6.453 1.655 7.426 1.00 0.00 N ATOM 596 CA GLU A 38 -7.086 1.386 6.104 1.00 0.00 C ATOM 597 C GLU A 38 -7.865 2.625 5.664 1.00 0.00 C ATOM 598 O GLU A 38 -7.953 2.931 4.493 1.00 0.00 O ATOM 599 CB GLU A 38 -8.042 0.198 6.249 1.00 0.00 C ATOM 600 CG GLU A 38 -8.629 -0.187 4.887 1.00 0.00 C ATOM 601 CD GLU A 38 -7.536 -0.795 4.008 1.00 0.00 C ATOM 602 OE1 GLU A 38 -6.794 -0.036 3.406 1.00 0.00 O ATOM 603 OE2 GLU A 38 -7.459 -2.011 3.952 1.00 0.00 O ATOM 0 H GLU A 38 -6.710 1.005 8.169 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.325 1.154 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.512 -0.653 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.846 0.453 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.442 -0.901 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.053 0.692 4.401 1.00 0.00 H new ATOM 610 N GLY A 39 -8.432 3.340 6.594 1.00 0.00 N ATOM 611 CA GLY A 39 -9.205 4.557 6.226 1.00 0.00 C ATOM 612 C GLY A 39 -8.235 5.697 5.925 1.00 0.00 C ATOM 613 O GLY A 39 -8.575 6.655 5.262 1.00 0.00 O ATOM 0 H GLY A 39 -8.394 3.134 7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.830 4.356 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.873 4.838 7.040 1.00 0.00 H new ATOM 617 N LYS A 40 -7.027 5.602 6.409 1.00 0.00 N ATOM 618 CA LYS A 40 -6.033 6.680 6.154 1.00 0.00 C ATOM 619 C LYS A 40 -5.250 6.359 4.877 1.00 0.00 C ATOM 620 O LYS A 40 -5.616 6.769 3.796 1.00 0.00 O ATOM 621 CB LYS A 40 -5.061 6.750 7.344 1.00 0.00 C ATOM 622 CG LYS A 40 -5.674 7.576 8.480 1.00 0.00 C ATOM 623 CD LYS A 40 -6.981 6.927 8.932 1.00 0.00 C ATOM 624 CE LYS A 40 -7.452 7.577 10.230 1.00 0.00 C ATOM 625 NZ LYS A 40 -7.831 8.992 9.962 1.00 0.00 N ATOM 0 H LYS A 40 -6.686 4.822 6.971 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.544 7.635 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.834 5.744 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.118 7.197 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.978 7.638 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.859 8.596 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.742 7.041 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.835 5.857 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.304 7.031 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.661 7.536 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.324 9.382 10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.975 9.551 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.460 9.032 9.135 1.00 0.00 H new ATOM 639 N LEU A 41 -4.167 5.636 5.010 1.00 0.00 N ATOM 640 CA LEU A 41 -3.323 5.295 3.825 1.00 0.00 C ATOM 641 C LEU A 41 -3.129 6.541 2.960 1.00 0.00 C ATOM 642 O LEU A 41 -3.536 7.623 3.327 1.00 0.00 O ATOM 643 CB LEU A 41 -3.974 4.168 3.014 1.00 0.00 C ATOM 644 CG LEU A 41 -3.791 2.830 3.752 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.717 1.779 3.141 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.333 2.333 3.643 1.00 0.00 C ATOM 0 H LEU A 41 -3.829 5.264 5.897 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.348 4.947 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.035 4.374 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.524 4.113 2.023 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.034 2.985 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.587 0.831 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.752 2.107 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.473 1.648 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.231 1.386 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.074 2.191 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.663 3.070 4.085 1.00 0.00 H new ATOM 658 N VAL A 42 -2.487 6.418 1.829 1.00 0.00 N ATOM 659 CA VAL A 42 -2.261 7.627 0.971 1.00 0.00 C ATOM 660 C VAL A 42 -2.285 7.240 -0.503 1.00 0.00 C ATOM 661 O VAL A 42 -2.109 6.091 -0.853 1.00 0.00 O ATOM 662 CB VAL A 42 -0.908 8.252 1.321 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.224 7.336 0.839 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.788 9.617 0.634 1.00 0.00 C ATOM 0 H VAL A 42 -2.111 5.544 1.461 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.056 8.349 1.155 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.834 8.377 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.186 7.784 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.138 6.364 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.154 7.208 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.174 10.065 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.862 9.489 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.591 10.269 0.978 1.00 0.00 H new ATOM 674 N LYS A 43 -2.513 8.198 -1.370 1.00 0.00 N ATOM 675 CA LYS A 43 -2.556 7.908 -2.836 1.00 0.00 C ATOM 676 C LYS A 43 -1.518 8.758 -3.583 1.00 0.00 C ATOM 677 O LYS A 43 -1.520 9.970 -3.503 1.00 0.00 O ATOM 678 CB LYS A 43 -3.949 8.240 -3.361 1.00 0.00 C ATOM 679 CG LYS A 43 -4.057 7.780 -4.813 1.00 0.00 C ATOM 680 CD LYS A 43 -5.475 8.029 -5.320 1.00 0.00 C ATOM 681 CE LYS A 43 -5.584 7.552 -6.766 1.00 0.00 C ATOM 682 NZ LYS A 43 -6.973 7.771 -7.257 1.00 0.00 N ATOM 0 H LYS A 43 -2.672 9.174 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.328 6.855 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.708 7.747 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.132 9.312 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.338 8.318 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.813 6.721 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.195 7.501 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.716 9.090 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.876 8.093 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.326 6.495 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.048 7.446 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.639 7.236 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.203 8.784 -7.208 1.00 0.00 H new ATOM 696 N GLY A 44 -0.652 8.124 -4.332 1.00 0.00 N ATOM 697 CA GLY A 44 0.371 8.877 -5.120 1.00 0.00 C ATOM 698 C GLY A 44 1.579 9.259 -4.255 1.00 0.00 C ATOM 699 O GLY A 44 2.613 9.632 -4.768 1.00 0.00 O ATOM 0 H GLY A 44 -0.609 7.110 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.703 8.269 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.080 9.778 -5.536 1.00 0.00 H new ATOM 703 N SER A 45 1.471 9.190 -2.954 1.00 0.00 N ATOM 704 CA SER A 45 2.636 9.578 -2.096 1.00 0.00 C ATOM 705 C SER A 45 3.580 8.388 -1.886 1.00 0.00 C ATOM 706 O SER A 45 3.349 7.299 -2.371 1.00 0.00 O ATOM 707 CB SER A 45 2.136 10.081 -0.746 1.00 0.00 C ATOM 708 OG SER A 45 3.170 10.829 -0.120 1.00 0.00 O ATOM 0 H SER A 45 0.638 8.886 -2.450 1.00 0.00 H new ATOM 0 HA SER A 45 3.187 10.371 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.250 10.702 -0.880 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.844 9.241 -0.116 1.00 0.00 H new ATOM 0 HG SER A 45 2.856 11.158 0.748 1.00 0.00 H new ATOM 714 N MET A 46 4.654 8.604 -1.172 1.00 0.00 N ATOM 715 CA MET A 46 5.637 7.511 -0.927 1.00 0.00 C ATOM 716 C MET A 46 5.156 6.588 0.192 1.00 0.00 C ATOM 717 O MET A 46 4.528 7.014 1.140 1.00 0.00 O ATOM 718 CB MET A 46 6.977 8.132 -0.547 1.00 0.00 C ATOM 719 CG MET A 46 7.551 8.853 -1.767 1.00 0.00 C ATOM 720 SD MET A 46 9.163 9.571 -1.354 1.00 0.00 S ATOM 721 CE MET A 46 8.575 10.941 -0.324 1.00 0.00 C ATOM 0 H MET A 46 4.893 9.499 -0.745 1.00 0.00 H new ATOM 0 HA MET A 46 5.743 6.915 -1.834 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.848 8.832 0.279 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.667 7.360 -0.206 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.656 8.155 -2.597 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.867 9.636 -2.093 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.305 11.750 -0.344 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.622 11.303 -0.709 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.444 10.595 0.701 1.00 0.00 H new ATOM 731 N VAL A 47 5.459 5.316 0.084 1.00 0.00 N ATOM 732 CA VAL A 47 5.039 4.332 1.129 1.00 0.00 C ATOM 733 C VAL A 47 6.227 3.441 1.482 1.00 0.00 C ATOM 734 O VAL A 47 7.185 3.359 0.739 1.00 0.00 O ATOM 735 CB VAL A 47 3.898 3.477 0.579 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.688 4.371 0.309 1.00 0.00 C ATOM 737 CG2 VAL A 47 4.335 2.809 -0.727 1.00 0.00 C ATOM 0 H VAL A 47 5.985 4.915 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 47 4.701 4.856 2.023 1.00 0.00 H new ATOM 0 HB VAL A 47 3.637 2.708 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.870 3.767 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.374 4.848 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.956 5.136 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.518 2.200 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.596 3.575 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.202 2.176 -0.539 1.00 0.00 H new ATOM 747 N HIS A 48 6.179 2.780 2.614 1.00 0.00 N ATOM 748 CA HIS A 48 7.314 1.896 3.029 1.00 0.00 C ATOM 749 C HIS A 48 6.784 0.499 3.353 1.00 0.00 C ATOM 750 O HIS A 48 5.825 0.343 4.081 1.00 0.00 O ATOM 751 CB HIS A 48 7.983 2.491 4.267 1.00 0.00 C ATOM 752 CG HIS A 48 9.234 1.719 4.574 1.00 0.00 C ATOM 753 ND1 HIS A 48 10.321 1.703 3.712 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.589 0.930 5.639 1.00 0.00 C ATOM 755 CE1 HIS A 48 11.268 0.928 4.270 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.874 0.433 5.446 1.00 0.00 N ATOM 0 H HIS A 48 5.399 2.815 3.271 1.00 0.00 H new ATOM 0 HA HIS A 48 8.039 1.824 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.222 3.541 4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.301 2.454 5.117 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.966 0.726 6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.230 0.730 3.821 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.402 -0.178 6.069 1.00 0.00 H new ATOM 764 N PHE A 49 7.402 -0.520 2.816 1.00 0.00 N ATOM 765 CA PHE A 49 6.937 -1.913 3.089 1.00 0.00 C ATOM 766 C PHE A 49 8.135 -2.855 3.104 1.00 0.00 C ATOM 767 O PHE A 49 9.149 -2.592 2.489 1.00 0.00 O ATOM 768 CB PHE A 49 5.964 -2.350 1.996 1.00 0.00 C ATOM 769 CG PHE A 49 6.648 -2.296 0.649 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.612 -1.116 -0.103 1.00 0.00 C ATOM 771 CD2 PHE A 49 7.308 -3.426 0.147 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.236 -1.062 -1.355 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.931 -3.372 -1.107 1.00 0.00 C ATOM 774 CZ PHE A 49 7.895 -2.191 -1.857 1.00 0.00 C ATOM 0 H PHE A 49 8.211 -0.448 2.199 1.00 0.00 H new ATOM 0 HA PHE A 49 6.436 -1.944 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.611 -3.362 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.088 -1.701 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.102 -0.246 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.336 -4.337 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.209 -0.150 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.439 -4.242 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.376 -2.150 -2.823 1.00 0.00 H new ATOM 784 N ASP A 50 8.029 -3.952 3.808 1.00 0.00 N ATOM 785 CA ASP A 50 9.165 -4.922 3.873 1.00 0.00 C ATOM 786 C ASP A 50 8.926 -6.048 2.846 1.00 0.00 C ATOM 787 O ASP A 50 7.825 -6.206 2.354 1.00 0.00 O ATOM 788 CB ASP A 50 9.253 -5.511 5.293 1.00 0.00 C ATOM 789 CG ASP A 50 8.747 -4.480 6.305 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.861 -3.299 6.026 1.00 0.00 O ATOM 791 OD2 ASP A 50 8.252 -4.893 7.340 1.00 0.00 O ATOM 0 H ASP A 50 7.203 -4.219 4.343 1.00 0.00 H new ATOM 0 HA ASP A 50 10.102 -4.416 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.658 -6.422 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.283 -5.785 5.521 1.00 0.00 H new ATOM 796 N PRO A 51 9.937 -6.827 2.516 1.00 0.00 N ATOM 797 CA PRO A 51 9.789 -7.945 1.528 1.00 0.00 C ATOM 798 C PRO A 51 8.710 -8.959 1.941 1.00 0.00 C ATOM 799 O PRO A 51 8.542 -9.263 3.105 1.00 0.00 O ATOM 800 CB PRO A 51 11.181 -8.612 1.508 1.00 0.00 C ATOM 801 CG PRO A 51 12.121 -7.576 2.034 1.00 0.00 C ATOM 802 CD PRO A 51 11.320 -6.740 3.030 1.00 0.00 C ATOM 0 HA PRO A 51 9.471 -7.576 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.197 -9.509 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.457 -8.917 0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.980 -8.040 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.507 -6.955 1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.398 -7.137 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.672 -5.709 3.064 1.00 0.00 H new ATOM 810 N THR A 52 7.979 -9.487 0.991 1.00 0.00 N ATOM 811 CA THR A 52 6.913 -10.478 1.323 1.00 0.00 C ATOM 812 C THR A 52 6.677 -11.401 0.115 1.00 0.00 C ATOM 813 O THR A 52 5.825 -11.130 -0.708 1.00 0.00 O ATOM 814 CB THR A 52 5.622 -9.717 1.643 1.00 0.00 C ATOM 815 OG1 THR A 52 5.936 -8.589 2.443 1.00 0.00 O ATOM 816 CG2 THR A 52 4.650 -10.628 2.396 1.00 0.00 C ATOM 0 H THR A 52 8.076 -9.273 -0.002 1.00 0.00 H new ATOM 0 HA THR A 52 7.215 -11.080 2.180 1.00 0.00 H new ATOM 0 HB THR A 52 5.152 -9.392 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.809 -7.771 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.735 -10.079 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.412 -11.495 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.110 -10.961 3.327 1.00 0.00 H new ATOM 895 N LEU A 58 4.750 -11.350 -6.033 1.00 0.00 N ATOM 896 CA LEU A 58 5.231 -10.169 -5.247 1.00 0.00 C ATOM 897 C LEU A 58 4.113 -9.659 -4.339 1.00 0.00 C ATOM 898 O LEU A 58 2.957 -9.653 -4.708 1.00 0.00 O ATOM 899 CB LEU A 58 5.640 -9.065 -6.222 1.00 0.00 C ATOM 900 CG LEU A 58 6.733 -9.588 -7.164 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.097 -8.493 -8.171 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.984 -9.989 -6.358 1.00 0.00 C ATOM 0 HA LEU A 58 6.082 -10.459 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.775 -8.737 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.004 -8.197 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 58 6.361 -10.466 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.873 -8.860 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.214 -8.223 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.463 -7.616 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.752 -10.358 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.363 -9.121 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.723 -10.772 -5.646 1.00 0.00 H new ATOM 914 N ALA A 59 4.449 -9.222 -3.153 1.00 0.00 N ATOM 915 CA ALA A 59 3.402 -8.706 -2.228 1.00 0.00 C ATOM 916 C ALA A 59 4.027 -7.712 -1.251 1.00 0.00 C ATOM 917 O ALA A 59 5.214 -7.743 -0.995 1.00 0.00 O ATOM 918 CB ALA A 59 2.783 -9.868 -1.451 1.00 0.00 C ATOM 0 H ALA A 59 5.401 -9.201 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 59 2.625 -8.206 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.017 -9.487 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.332 -10.573 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.557 -10.373 -0.874 1.00 0.00 H new ATOM 924 N ALA A 60 3.231 -6.828 -0.708 1.00 0.00 N ATOM 925 CA ALA A 60 3.753 -5.813 0.256 1.00 0.00 C ATOM 926 C ALA A 60 3.283 -6.162 1.671 1.00 0.00 C ATOM 927 O ALA A 60 2.165 -6.593 1.869 1.00 0.00 O ATOM 928 CB ALA A 60 3.206 -4.441 -0.134 1.00 0.00 C ATOM 0 H ALA A 60 2.230 -6.765 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 60 4.843 -5.803 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.579 -3.689 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.531 -4.193 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.117 -4.460 -0.098 1.00 0.00 H new ATOM 934 N LYS A 61 4.127 -5.970 2.656 1.00 0.00 N ATOM 935 CA LYS A 61 3.734 -6.283 4.067 1.00 0.00 C ATOM 936 C LYS A 61 4.211 -5.166 4.994 1.00 0.00 C ATOM 937 O LYS A 61 5.183 -4.489 4.723 1.00 0.00 O ATOM 938 CB LYS A 61 4.368 -7.606 4.498 1.00 0.00 C ATOM 939 CG LYS A 61 3.906 -7.951 5.915 1.00 0.00 C ATOM 940 CD LYS A 61 4.471 -9.310 6.325 1.00 0.00 C ATOM 941 CE LYS A 61 3.989 -9.653 7.734 1.00 0.00 C ATOM 942 NZ LYS A 61 4.510 -10.992 8.125 1.00 0.00 N ATOM 0 H LYS A 61 5.074 -5.609 2.543 1.00 0.00 H new ATOM 0 HA LYS A 61 2.649 -6.365 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.084 -8.400 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.455 -7.529 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.238 -7.183 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.817 -7.971 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.149 -10.078 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.560 -9.287 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.331 -8.897 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.900 -9.651 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.182 -11.226 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.163 -11.709 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.550 -10.978 8.108 1.00 0.00 H new ATOM 956 N ALA A 62 3.525 -4.966 6.085 1.00 0.00 N ATOM 957 CA ALA A 62 3.922 -3.893 7.037 1.00 0.00 C ATOM 958 C ALA A 62 3.946 -2.553 6.303 1.00 0.00 C ATOM 959 O ALA A 62 4.893 -1.799 6.390 1.00 0.00 O ATOM 960 CB ALA A 62 5.305 -4.198 7.621 1.00 0.00 C ATOM 0 H ALA A 62 2.702 -5.503 6.359 1.00 0.00 H new ATOM 0 HA ALA A 62 3.202 -3.845 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.588 -3.408 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.275 -5.152 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.037 -4.251 6.815 1.00 0.00 H new ATOM 966 N ILE A 63 2.900 -2.250 5.582 1.00 0.00 N ATOM 967 CA ILE A 63 2.846 -0.959 4.845 1.00 0.00 C ATOM 968 C ILE A 63 2.711 0.182 5.846 1.00 0.00 C ATOM 969 O ILE A 63 1.950 0.102 6.788 1.00 0.00 O ATOM 970 CB ILE A 63 1.644 -0.970 3.905 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.868 -2.041 2.833 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.499 0.402 3.243 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.571 -2.293 2.062 1.00 0.00 C ATOM 0 H ILE A 63 2.079 -2.845 5.473 1.00 0.00 H new ATOM 0 HA ILE A 63 3.757 -0.822 4.263 1.00 0.00 H new ATOM 0 HB ILE A 63 0.735 -1.192 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.652 -1.721 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.209 -2.966 3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.640 0.393 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.352 1.162 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.401 0.629 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.742 -3.056 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.202 -2.633 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.248 -1.369 1.582 1.00 0.00 H new ATOM 985 N SER A 64 3.460 1.240 5.658 1.00 0.00 N ATOM 986 CA SER A 64 3.400 2.390 6.607 1.00 0.00 C ATOM 987 C SER A 64 3.332 3.704 5.836 1.00 0.00 C ATOM 988 O SER A 64 3.830 3.823 4.732 1.00 0.00 O ATOM 989 CB SER A 64 4.656 2.387 7.475 1.00 0.00 C ATOM 990 OG SER A 64 4.566 3.432 8.435 1.00 0.00 O ATOM 0 H SER A 64 4.113 1.355 4.883 1.00 0.00 H new ATOM 0 HA SER A 64 2.511 2.293 7.230 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.763 1.425 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.541 2.523 6.854 1.00 0.00 H new ATOM 0 HG SER A 64 5.370 3.432 8.995 1.00 0.00 H new ATOM 996 N LEU A 65 2.712 4.685 6.430 1.00 0.00 N ATOM 997 CA LEU A 65 2.577 6.025 5.795 1.00 0.00 C ATOM 998 C LEU A 65 3.406 7.027 6.620 1.00 0.00 C ATOM 999 O LEU A 65 2.930 7.552 7.608 1.00 0.00 O ATOM 1000 CB LEU A 65 1.093 6.441 5.825 1.00 0.00 C ATOM 1001 CG LEU A 65 0.409 5.867 7.093 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.696 6.815 7.570 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.211 4.493 6.783 1.00 0.00 C ATOM 0 H LEU A 65 2.283 4.611 7.352 1.00 0.00 H new ATOM 0 HA LEU A 65 2.928 6.003 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.011 7.528 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.586 6.077 4.931 1.00 0.00 H new ATOM 0 HG LEU A 65 1.162 5.761 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.170 6.403 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.264 7.788 7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.441 6.930 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.689 4.099 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.954 4.599 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.570 3.807 6.456 1.00 0.00 H new ATOM 1015 N PRO A 66 4.631 7.292 6.236 1.00 0.00 N ATOM 1016 CA PRO A 66 5.506 8.244 6.984 1.00 0.00 C ATOM 1017 C PRO A 66 4.799 9.582 7.228 1.00 0.00 C ATOM 1018 O PRO A 66 4.960 10.206 8.257 1.00 0.00 O ATOM 1019 CB PRO A 66 6.716 8.429 6.052 1.00 0.00 C ATOM 1020 CG PRO A 66 6.771 7.172 5.245 1.00 0.00 C ATOM 1021 CD PRO A 66 5.322 6.721 5.066 1.00 0.00 C ATOM 0 HA PRO A 66 5.778 7.873 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.594 9.304 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.635 8.575 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.246 7.349 4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.357 6.407 5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.900 7.091 4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.241 5.634 5.044 1.00 0.00 H new