USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 437 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 Set 1.1: A 50 THR OG1 : rot 180:sc= 0.00137 USER MOD Set 1.2: A 52 THR OG1 : rot 92:sc= -0.031 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.537 USER MOD Set 2.2: A 54 THR OG1 : rot 127:sc= 0.457 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= 0.701 F(o=-2.5,f=1.5) USER MOD Set 3.2: A 56 THR OG1 : rot 173:sc= 0.813 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -117:sc= 1.09 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 29 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0237) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.72 K(o=-0.72,f=-3.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0399 X(o=0.04,f=-0.44) USER MOD Single : A 38 ASN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= -0.0108 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.295 -15.082 7.534 1.00 0.00 N ATOM 2 CA MET A 1 -1.932 -14.858 6.972 1.00 0.00 C ATOM 3 C MET A 1 -2.005 -13.902 5.776 1.00 0.00 C ATOM 4 O MET A 1 -1.774 -14.288 4.645 1.00 0.00 O ATOM 5 CB MET A 1 -1.456 -16.242 6.530 1.00 0.00 C ATOM 6 CG MET A 1 0.070 -16.311 6.619 1.00 0.00 C ATOM 7 SD MET A 1 0.672 -17.691 5.616 1.00 0.00 S ATOM 8 CE MET A 1 2.079 -18.136 6.664 1.00 0.00 C ATOM 0 H1 MET A 1 -3.234 -15.731 8.344 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.695 -14.174 7.847 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.908 -15.497 6.803 1.00 0.00 H new ATOM 0 HA MET A 1 -1.253 -14.407 7.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.903 -17.010 7.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.780 -16.440 5.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.508 -15.376 6.270 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.379 -16.440 7.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.606 -18.984 6.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.758 -17.287 6.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.722 -18.406 7.658 1.00 0.00 H new ATOM 20 N THR A 2 -2.327 -12.657 6.023 1.00 0.00 N ATOM 21 CA THR A 2 -2.420 -11.669 4.909 1.00 0.00 C ATOM 22 C THR A 2 -1.176 -10.763 4.893 1.00 0.00 C ATOM 23 O THR A 2 -0.245 -11.001 4.149 1.00 0.00 O ATOM 24 CB THR A 2 -3.701 -10.874 5.192 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.813 -11.758 5.170 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.886 -9.802 4.117 1.00 0.00 C ATOM 0 H THR A 2 -2.530 -12.283 6.950 1.00 0.00 H new ATOM 0 HA THR A 2 -2.458 -12.143 3.928 1.00 0.00 H new ATOM 0 HB THR A 2 -3.627 -10.398 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.634 -11.255 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.796 -9.238 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.031 -9.126 4.126 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.963 -10.277 3.139 1.00 0.00 H new ATOM 34 N THR A 3 -1.150 -9.728 5.705 1.00 0.00 N ATOM 35 CA THR A 3 0.035 -8.805 5.735 1.00 0.00 C ATOM 36 C THR A 3 0.413 -8.347 4.322 1.00 0.00 C ATOM 37 O THR A 3 1.199 -8.984 3.646 1.00 0.00 O ATOM 38 CB THR A 3 1.175 -9.620 6.351 1.00 0.00 C ATOM 39 OG1 THR A 3 0.768 -10.120 7.617 1.00 0.00 O ATOM 40 CG2 THR A 3 2.413 -8.731 6.524 1.00 0.00 C ATOM 0 H THR A 3 -1.901 -9.482 6.350 1.00 0.00 H new ATOM 0 HA THR A 3 -0.180 -7.903 6.309 1.00 0.00 H new ATOM 0 HB THR A 3 1.421 -10.453 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.337 -9.738 8.318 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.222 -9.315 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.726 -8.350 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.172 -7.895 7.180 1.00 0.00 H new ATOM 48 N PHE A 4 -0.141 -7.250 3.878 1.00 0.00 N ATOM 49 CA PHE A 4 0.182 -6.745 2.513 1.00 0.00 C ATOM 50 C PHE A 4 1.393 -5.818 2.570 1.00 0.00 C ATOM 51 O PHE A 4 1.525 -5.013 3.472 1.00 0.00 O ATOM 52 CB PHE A 4 -1.062 -5.979 2.069 1.00 0.00 C ATOM 53 CG PHE A 4 -2.028 -6.939 1.421 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.815 -7.359 0.105 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.132 -7.413 2.139 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.706 -8.255 -0.497 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.021 -8.311 1.537 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.808 -8.731 0.219 1.00 0.00 C ATOM 0 H PHE A 4 -0.805 -6.681 4.404 1.00 0.00 H new ATOM 0 HA PHE A 4 0.431 -7.550 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.531 -5.495 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.788 -5.191 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.963 -6.992 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.298 -7.087 3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.542 -8.578 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.872 -8.680 2.090 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.495 -9.423 -0.245 1.00 0.00 H new ATOM 68 N LYS A 5 2.278 -5.923 1.615 1.00 0.00 N ATOM 69 CA LYS A 5 3.485 -5.045 1.612 1.00 0.00 C ATOM 70 C LYS A 5 3.261 -3.874 0.652 1.00 0.00 C ATOM 71 O LYS A 5 2.181 -3.704 0.115 1.00 0.00 O ATOM 72 CB LYS A 5 4.632 -5.931 1.117 1.00 0.00 C ATOM 73 CG LYS A 5 4.778 -7.153 2.027 1.00 0.00 C ATOM 74 CD LYS A 5 6.210 -7.684 1.941 1.00 0.00 C ATOM 75 CE LYS A 5 6.201 -9.204 2.117 1.00 0.00 C ATOM 76 NZ LYS A 5 7.429 -9.679 1.421 1.00 0.00 N ATOM 0 H LYS A 5 2.218 -6.579 0.836 1.00 0.00 H new ATOM 0 HA LYS A 5 3.699 -4.628 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.440 -6.251 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.562 -5.363 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.540 -6.884 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.073 -7.928 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.650 -7.421 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.828 -7.222 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.213 -9.479 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.305 -9.647 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.493 -10.714 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.386 -9.408 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.266 -9.247 1.861 1.00 0.00 H new ATOM 90 N LEU A 6 4.269 -3.068 0.427 1.00 0.00 N ATOM 91 CA LEU A 6 4.104 -1.911 -0.503 1.00 0.00 C ATOM 92 C LEU A 6 5.468 -1.448 -1.008 1.00 0.00 C ATOM 93 O LEU A 6 6.212 -0.796 -0.297 1.00 0.00 O ATOM 94 CB LEU A 6 3.423 -0.825 0.343 1.00 0.00 C ATOM 95 CG LEU A 6 3.296 0.484 -0.451 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.076 0.411 -1.368 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.131 1.655 0.522 1.00 0.00 C ATOM 0 H LEU A 6 5.195 -3.161 0.845 1.00 0.00 H new ATOM 0 HA LEU A 6 3.516 -2.158 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.435 -1.165 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.999 -0.650 1.251 1.00 0.00 H new ATOM 0 HG LEU A 6 4.193 0.631 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.987 1.340 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.191 -0.423 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.178 0.263 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.041 2.585 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.234 1.505 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.001 1.710 1.177 1.00 0.00 H new ATOM 109 N ILE A 7 5.787 -1.749 -2.239 1.00 0.00 N ATOM 110 CA ILE A 7 7.086 -1.300 -2.801 1.00 0.00 C ATOM 111 C ILE A 7 6.901 0.105 -3.347 1.00 0.00 C ATOM 112 O ILE A 7 5.957 0.371 -4.073 1.00 0.00 O ATOM 113 CB ILE A 7 7.418 -2.271 -3.934 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.511 -3.698 -3.386 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.761 -1.873 -4.557 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.032 -4.686 -4.451 1.00 0.00 C ATOM 0 H ILE A 7 5.201 -2.287 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 7 7.885 -1.287 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 7 6.633 -2.231 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.539 -3.923 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.903 -3.794 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.005 -2.561 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.693 -0.859 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.541 -1.915 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.098 -5.702 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.997 -4.465 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.659 -4.597 -5.338 1.00 0.00 H new ATOM 128 N ILE A 8 7.768 1.013 -2.997 1.00 0.00 N ATOM 129 CA ILE A 8 7.593 2.403 -3.503 1.00 0.00 C ATOM 130 C ILE A 8 8.434 2.631 -4.759 1.00 0.00 C ATOM 131 O ILE A 8 9.650 2.630 -4.711 1.00 0.00 O ATOM 132 CB ILE A 8 8.049 3.355 -2.398 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.517 2.903 -1.024 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.515 4.752 -2.724 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.985 2.947 -0.993 1.00 0.00 C ATOM 0 H ILE A 8 8.576 0.858 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 8 6.549 2.577 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 8 9.138 3.359 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.861 1.891 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.920 3.548 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.828 5.451 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.910 5.077 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.426 4.724 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.631 2.624 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.646 3.965 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.586 2.283 -1.760 1.00 0.00 H new ATOM 147 N ASN A 9 7.793 2.840 -5.878 1.00 0.00 N ATOM 148 CA ASN A 9 8.547 3.090 -7.146 1.00 0.00 C ATOM 149 C ASN A 9 9.212 4.469 -7.102 1.00 0.00 C ATOM 150 O ASN A 9 10.187 4.722 -7.783 1.00 0.00 O ATOM 151 CB ASN A 9 7.488 3.033 -8.253 1.00 0.00 C ATOM 152 CG ASN A 9 8.125 3.325 -9.616 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.497 4.097 -10.465 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.202 2.847 -9.912 1.00 0.00 N flip ATOM 0 H ASN A 9 6.777 2.849 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 9 9.342 2.362 -7.307 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.019 2.049 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.700 3.758 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.692 2.245 -9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.616 3.048 -10.822 1.00 0.00 H new ATOM 161 N GLY A 10 8.684 5.358 -6.304 1.00 0.00 N ATOM 162 CA GLY A 10 9.267 6.728 -6.203 1.00 0.00 C ATOM 163 C GLY A 10 10.618 6.660 -5.491 1.00 0.00 C ATOM 164 O GLY A 10 10.841 5.818 -4.642 1.00 0.00 O ATOM 0 H GLY A 10 7.869 5.193 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.390 7.156 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.589 7.383 -5.656 1.00 0.00 H new ATOM 168 N LYS A 11 11.517 7.545 -5.833 1.00 0.00 N ATOM 169 CA LYS A 11 12.865 7.546 -5.183 1.00 0.00 C ATOM 170 C LYS A 11 12.745 7.914 -3.698 1.00 0.00 C ATOM 171 O LYS A 11 13.586 7.558 -2.895 1.00 0.00 O ATOM 172 CB LYS A 11 13.680 8.606 -5.936 1.00 0.00 C ATOM 173 CG LYS A 11 12.981 9.972 -5.843 1.00 0.00 C ATOM 174 CD LYS A 11 13.020 10.679 -7.207 1.00 0.00 C ATOM 175 CE LYS A 11 13.968 11.879 -7.145 1.00 0.00 C ATOM 176 NZ LYS A 11 13.433 12.844 -8.147 1.00 0.00 N ATOM 0 H LYS A 11 11.377 8.270 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 11 13.338 6.565 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.683 8.672 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.792 8.316 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.948 9.839 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.471 10.590 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.351 9.983 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.019 11.009 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.987 12.316 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.991 11.587 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.031 13.695 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.433 12.403 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.461 13.109 -7.889 1.00 0.00 H new ATOM 190 N THR A 12 11.708 8.628 -3.333 1.00 0.00 N ATOM 191 CA THR A 12 11.534 9.027 -1.904 1.00 0.00 C ATOM 192 C THR A 12 10.800 7.937 -1.123 1.00 0.00 C ATOM 193 O THR A 12 10.233 7.030 -1.697 1.00 0.00 O ATOM 194 CB THR A 12 10.698 10.307 -1.950 1.00 0.00 C ATOM 195 OG1 THR A 12 11.226 11.178 -2.940 1.00 0.00 O ATOM 196 CG2 THR A 12 10.738 10.997 -0.586 1.00 0.00 C ATOM 0 H THR A 12 10.975 8.951 -3.964 1.00 0.00 H new ATOM 0 HA THR A 12 12.491 9.178 -1.404 1.00 0.00 H new ATOM 0 HB THR A 12 9.666 10.058 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.691 11.998 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.142 11.909 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.332 10.327 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.769 11.247 -0.335 1.00 0.00 H new ATOM 204 N LEU A 13 10.817 8.034 0.187 1.00 0.00 N ATOM 205 CA LEU A 13 10.130 7.030 1.074 1.00 0.00 C ATOM 206 C LEU A 13 10.320 5.573 0.577 1.00 0.00 C ATOM 207 O LEU A 13 9.483 4.723 0.814 1.00 0.00 O ATOM 208 CB LEU A 13 8.636 7.466 1.091 1.00 0.00 C ATOM 209 CG LEU A 13 7.869 6.964 -0.145 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.546 6.318 0.296 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.574 8.127 -1.098 1.00 0.00 C ATOM 0 H LEU A 13 11.289 8.784 0.693 1.00 0.00 H new ATOM 0 HA LEU A 13 10.556 7.021 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.158 7.084 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.577 8.553 1.136 1.00 0.00 H new ATOM 0 HG LEU A 13 8.483 6.228 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.004 5.963 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.754 5.478 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.940 7.054 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.031 7.756 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.969 8.874 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.512 8.579 -1.421 1.00 0.00 H new ATOM 223 N LYS A 14 11.394 5.291 -0.125 1.00 0.00 N ATOM 224 CA LYS A 14 11.616 3.906 -0.658 1.00 0.00 C ATOM 225 C LYS A 14 11.491 2.857 0.452 1.00 0.00 C ATOM 226 O LYS A 14 12.032 3.024 1.530 1.00 0.00 O ATOM 227 CB LYS A 14 13.042 3.915 -1.214 1.00 0.00 C ATOM 228 CG LYS A 14 13.007 4.239 -2.710 1.00 0.00 C ATOM 229 CD LYS A 14 12.560 3.000 -3.491 1.00 0.00 C ATOM 230 CE LYS A 14 12.761 3.238 -4.990 1.00 0.00 C ATOM 231 NZ LYS A 14 14.018 2.514 -5.328 1.00 0.00 N ATOM 0 H LYS A 14 12.128 5.962 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 14 10.875 3.648 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.645 4.654 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.512 2.945 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.323 5.067 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.993 4.558 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.133 2.130 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.512 2.786 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.918 2.857 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.845 4.302 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.224 2.630 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.804 2.903 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.905 1.503 -5.111 1.00 0.00 H new ATOM 245 N GLY A 15 10.789 1.773 0.197 1.00 0.00 N ATOM 246 CA GLY A 15 10.650 0.724 1.251 1.00 0.00 C ATOM 247 C GLY A 15 9.591 -0.312 0.862 1.00 0.00 C ATOM 248 O GLY A 15 8.914 -0.194 -0.144 1.00 0.00 O ATOM 0 H GLY A 15 10.314 1.575 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.609 0.229 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.377 1.190 2.198 1.00 0.00 H new ATOM 252 N GLU A 16 9.456 -1.329 1.676 1.00 0.00 N ATOM 253 CA GLU A 16 8.459 -2.409 1.420 1.00 0.00 C ATOM 254 C GLU A 16 7.818 -2.824 2.745 1.00 0.00 C ATOM 255 O GLU A 16 7.632 -3.995 3.018 1.00 0.00 O ATOM 256 CB GLU A 16 9.277 -3.564 0.843 1.00 0.00 C ATOM 257 CG GLU A 16 9.162 -3.568 -0.682 1.00 0.00 C ATOM 258 CD GLU A 16 9.928 -4.767 -1.245 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.677 -5.872 -0.792 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.753 -4.559 -2.120 1.00 0.00 O ATOM 0 H GLU A 16 10.008 -1.457 2.524 1.00 0.00 H new ATOM 0 HA GLU A 16 7.659 -2.100 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.322 -3.465 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.920 -4.512 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.114 -3.619 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.564 -2.641 -1.091 1.00 0.00 H new ATOM 267 N ILE A 17 7.490 -1.866 3.577 1.00 0.00 N ATOM 268 CA ILE A 17 6.869 -2.181 4.906 1.00 0.00 C ATOM 269 C ILE A 17 5.680 -3.138 4.749 1.00 0.00 C ATOM 270 O ILE A 17 4.994 -3.131 3.745 1.00 0.00 O ATOM 271 CB ILE A 17 6.403 -0.831 5.465 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.419 -0.174 4.491 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.612 0.087 5.655 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.609 0.897 5.224 1.00 0.00 C ATOM 0 H ILE A 17 7.626 -0.872 3.393 1.00 0.00 H new ATOM 0 HA ILE A 17 7.577 -2.678 5.570 1.00 0.00 H new ATOM 0 HB ILE A 17 5.909 -0.993 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.961 0.273 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.751 -0.926 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.281 1.047 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.312 -0.373 6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.105 0.242 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.910 1.363 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.055 0.438 6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.284 1.654 5.622 1.00 0.00 H new ATOM 286 N THR A 18 5.443 -3.963 5.736 1.00 0.00 N ATOM 287 CA THR A 18 4.309 -4.930 5.658 1.00 0.00 C ATOM 288 C THR A 18 3.230 -4.557 6.678 1.00 0.00 C ATOM 289 O THR A 18 3.528 -4.157 7.788 1.00 0.00 O ATOM 290 CB THR A 18 4.923 -6.292 6.003 1.00 0.00 C ATOM 291 OG1 THR A 18 5.445 -6.251 7.324 1.00 0.00 O ATOM 292 CG2 THR A 18 6.048 -6.627 5.019 1.00 0.00 C ATOM 0 H THR A 18 5.989 -4.008 6.596 1.00 0.00 H new ATOM 0 HA THR A 18 3.835 -4.933 4.676 1.00 0.00 H new ATOM 0 HB THR A 18 4.152 -7.060 5.935 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.837 -7.121 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.477 -7.596 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.647 -6.662 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.822 -5.861 5.077 1.00 0.00 H new ATOM 300 N ILE A 19 1.979 -4.691 6.311 1.00 0.00 N ATOM 301 CA ILE A 19 0.878 -4.347 7.269 1.00 0.00 C ATOM 302 C ILE A 19 -0.248 -5.387 7.199 1.00 0.00 C ATOM 303 O ILE A 19 -0.678 -5.778 6.131 1.00 0.00 O ATOM 304 CB ILE A 19 0.368 -2.962 6.844 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.183 -3.013 5.412 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.518 -1.954 6.907 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.698 -3.235 5.450 1.00 0.00 C ATOM 0 H ILE A 19 1.672 -5.021 5.396 1.00 0.00 H new ATOM 0 HA ILE A 19 1.233 -4.341 8.299 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.430 -2.658 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.045 -2.083 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.298 -3.817 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.157 -0.971 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.902 -1.903 7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.316 -2.269 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.086 -3.271 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.915 -4.177 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.172 -2.416 5.991 1.00 0.00 H new ATOM 319 N GLU A 20 -0.728 -5.824 8.336 1.00 0.00 N ATOM 320 CA GLU A 20 -1.832 -6.833 8.353 1.00 0.00 C ATOM 321 C GLU A 20 -3.158 -6.164 7.985 1.00 0.00 C ATOM 322 O GLU A 20 -3.445 -5.062 8.413 1.00 0.00 O ATOM 323 CB GLU A 20 -1.878 -7.355 9.791 1.00 0.00 C ATOM 324 CG GLU A 20 -1.064 -8.647 9.893 1.00 0.00 C ATOM 325 CD GLU A 20 0.369 -8.317 10.309 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.532 -7.514 11.212 1.00 0.00 O ATOM 327 OE2 GLU A 20 1.279 -8.874 9.717 1.00 0.00 O ATOM 0 H GLU A 20 -0.403 -5.525 9.255 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.667 -7.637 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.477 -6.606 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.910 -7.539 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.519 -9.319 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.065 -9.166 8.935 1.00 0.00 H new ATOM 334 N ALA A 21 -3.966 -6.823 7.193 1.00 0.00 N ATOM 335 CA ALA A 21 -5.275 -6.229 6.792 1.00 0.00 C ATOM 336 C ALA A 21 -6.267 -7.330 6.411 1.00 0.00 C ATOM 337 O ALA A 21 -5.882 -8.422 6.035 1.00 0.00 O ATOM 338 CB ALA A 21 -4.957 -5.358 5.576 1.00 0.00 C ATOM 0 H ALA A 21 -3.774 -7.748 6.807 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.731 -5.658 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.871 -4.884 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.236 -4.590 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.537 -5.978 4.784 1.00 0.00 H new ATOM 344 N VAL A 22 -7.544 -7.048 6.503 1.00 0.00 N ATOM 345 CA VAL A 22 -8.579 -8.068 6.146 1.00 0.00 C ATOM 346 C VAL A 22 -8.333 -8.604 4.727 1.00 0.00 C ATOM 347 O VAL A 22 -8.476 -9.783 4.462 1.00 0.00 O ATOM 348 CB VAL A 22 -9.923 -7.326 6.231 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.930 -6.140 5.260 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.063 -8.284 5.870 1.00 0.00 C ATOM 0 H VAL A 22 -7.916 -6.150 6.812 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.555 -8.931 6.812 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.061 -6.959 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.886 -5.620 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.125 -5.453 5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.785 -6.502 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.015 -7.756 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.918 -8.656 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.068 -9.122 6.566 1.00 0.00 H new ATOM 360 N ASP A 23 -7.954 -7.740 3.821 1.00 0.00 N ATOM 361 CA ASP A 23 -7.681 -8.176 2.418 1.00 0.00 C ATOM 362 C ASP A 23 -6.807 -7.130 1.724 1.00 0.00 C ATOM 363 O ASP A 23 -6.442 -6.133 2.319 1.00 0.00 O ATOM 364 CB ASP A 23 -9.054 -8.287 1.739 1.00 0.00 C ATOM 365 CG ASP A 23 -9.819 -6.963 1.853 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.240 -5.934 1.552 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.976 -7.004 2.241 1.00 0.00 O ATOM 0 H ASP A 23 -7.821 -6.744 3.994 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.149 -9.126 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.927 -8.551 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.631 -9.088 2.201 1.00 0.00 H new ATOM 372 N ALA A 24 -6.468 -7.345 0.477 1.00 0.00 N ATOM 373 CA ALA A 24 -5.615 -6.348 -0.237 1.00 0.00 C ATOM 374 C ALA A 24 -6.365 -5.022 -0.361 1.00 0.00 C ATOM 375 O ALA A 24 -5.771 -3.961 -0.359 1.00 0.00 O ATOM 376 CB ALA A 24 -5.344 -6.942 -1.618 1.00 0.00 C ATOM 0 H ALA A 24 -6.742 -8.160 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.685 -6.150 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.721 -6.257 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.828 -7.896 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.289 -7.098 -2.139 1.00 0.00 H new ATOM 382 N ALA A 25 -7.673 -5.075 -0.460 1.00 0.00 N ATOM 383 CA ALA A 25 -8.475 -3.820 -0.578 1.00 0.00 C ATOM 384 C ALA A 25 -8.138 -2.874 0.576 1.00 0.00 C ATOM 385 O ALA A 25 -7.704 -1.758 0.370 1.00 0.00 O ATOM 386 CB ALA A 25 -9.939 -4.261 -0.499 1.00 0.00 C ATOM 0 H ALA A 25 -8.219 -5.937 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.266 -3.286 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.587 -3.388 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.156 -4.950 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.118 -4.759 0.454 1.00 0.00 H new ATOM 392 N GLU A 26 -8.316 -3.328 1.791 1.00 0.00 N ATOM 393 CA GLU A 26 -7.990 -2.471 2.972 1.00 0.00 C ATOM 394 C GLU A 26 -6.512 -2.084 2.938 1.00 0.00 C ATOM 395 O GLU A 26 -6.152 -0.955 3.214 1.00 0.00 O ATOM 396 CB GLU A 26 -8.291 -3.340 4.196 1.00 0.00 C ATOM 397 CG GLU A 26 -9.631 -2.923 4.812 1.00 0.00 C ATOM 398 CD GLU A 26 -9.532 -1.488 5.335 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.968 -1.305 6.401 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.024 -0.598 4.661 1.00 0.00 O ATOM 0 H GLU A 26 -8.673 -4.256 2.017 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.566 -1.546 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.324 -4.391 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.494 -3.236 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.423 -2.995 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.895 -3.599 5.625 1.00 0.00 H new ATOM 407 N ALA A 27 -5.653 -3.011 2.583 1.00 0.00 N ATOM 408 CA ALA A 27 -4.190 -2.693 2.510 1.00 0.00 C ATOM 409 C ALA A 27 -3.965 -1.511 1.566 1.00 0.00 C ATOM 410 O ALA A 27 -3.185 -0.622 1.847 1.00 0.00 O ATOM 411 CB ALA A 27 -3.518 -3.948 1.953 1.00 0.00 C ATOM 0 H ALA A 27 -5.900 -3.971 2.341 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.783 -2.421 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.444 -3.781 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.707 -4.789 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.924 -4.170 0.966 1.00 0.00 H new ATOM 417 N GLU A 28 -4.662 -1.490 0.454 1.00 0.00 N ATOM 418 CA GLU A 28 -4.503 -0.356 -0.504 1.00 0.00 C ATOM 419 C GLU A 28 -4.889 0.953 0.190 1.00 0.00 C ATOM 420 O GLU A 28 -4.167 1.920 0.124 1.00 0.00 O ATOM 421 CB GLU A 28 -5.442 -0.660 -1.674 1.00 0.00 C ATOM 422 CG GLU A 28 -4.909 0.011 -2.947 1.00 0.00 C ATOM 423 CD GLU A 28 -5.882 -0.240 -4.101 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.007 -1.383 -4.506 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.487 0.717 -4.560 1.00 0.00 O ATOM 0 H GLU A 28 -5.330 -2.207 0.172 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.476 -0.247 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.518 -1.737 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.446 -0.297 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.790 1.082 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.924 -0.385 -3.195 1.00 0.00 H new ATOM 432 N LYS A 29 -6.011 0.986 0.877 1.00 0.00 N ATOM 433 CA LYS A 29 -6.412 2.237 1.593 1.00 0.00 C ATOM 434 C LYS A 29 -5.358 2.597 2.649 1.00 0.00 C ATOM 435 O LYS A 29 -4.861 3.710 2.694 1.00 0.00 O ATOM 436 CB LYS A 29 -7.748 1.911 2.257 1.00 0.00 C ATOM 437 CG LYS A 29 -8.875 2.068 1.233 1.00 0.00 C ATOM 438 CD LYS A 29 -9.294 0.696 0.692 1.00 0.00 C ATOM 439 CE LYS A 29 -8.823 0.554 -0.758 1.00 0.00 C ATOM 440 NZ LYS A 29 -9.812 1.325 -1.560 1.00 0.00 N ATOM 0 H LYS A 29 -6.660 0.205 0.970 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.496 3.090 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.735 0.893 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.917 2.575 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.730 2.561 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.545 2.705 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.863 -0.096 1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.377 0.587 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.816 0.950 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.796 -0.492 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.369 0.671 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.447 1.845 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.311 1.999 -2.174 1.00 0.00 H new ATOM 454 N ILE A 30 -5.004 1.654 3.491 1.00 0.00 N ATOM 455 CA ILE A 30 -3.972 1.925 4.545 1.00 0.00 C ATOM 456 C ILE A 30 -2.681 2.414 3.880 1.00 0.00 C ATOM 457 O ILE A 30 -2.085 3.388 4.300 1.00 0.00 O ATOM 458 CB ILE A 30 -3.747 0.581 5.254 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.045 0.141 5.941 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.644 0.726 6.309 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.993 -1.363 6.235 1.00 0.00 C ATOM 0 H ILE A 30 -5.385 0.708 3.494 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.286 2.694 5.250 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.448 -0.164 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.183 0.697 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.900 0.367 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.490 -0.231 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.718 1.037 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.940 1.475 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.918 -1.670 6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.876 -1.912 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.148 -1.577 6.890 1.00 0.00 H new ATOM 473 N PHE A 31 -2.264 1.750 2.835 1.00 0.00 N ATOM 474 CA PHE A 31 -1.028 2.177 2.119 1.00 0.00 C ATOM 475 C PHE A 31 -1.294 3.508 1.417 1.00 0.00 C ATOM 476 O PHE A 31 -0.448 4.380 1.368 1.00 0.00 O ATOM 477 CB PHE A 31 -0.749 1.066 1.099 1.00 0.00 C ATOM 478 CG PHE A 31 0.056 -0.033 1.752 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.243 0.275 2.427 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.384 -1.361 1.678 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.989 -0.742 3.030 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.365 -2.379 2.281 1.00 0.00 C ATOM 483 CZ PHE A 31 1.552 -2.069 2.957 1.00 0.00 C ATOM 0 H PHE A 31 -2.727 0.929 2.446 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.178 2.322 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.688 0.665 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.205 1.471 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.583 1.299 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.299 -1.599 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.903 -0.503 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.027 -3.403 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.130 -2.854 3.422 1.00 0.00 H new ATOM 493 N LYS A 32 -2.481 3.669 0.890 1.00 0.00 N ATOM 494 CA LYS A 32 -2.846 4.934 0.194 1.00 0.00 C ATOM 495 C LYS A 32 -3.130 6.065 1.196 1.00 0.00 C ATOM 496 O LYS A 32 -3.433 7.176 0.804 1.00 0.00 O ATOM 497 CB LYS A 32 -4.105 4.608 -0.611 1.00 0.00 C ATOM 498 CG LYS A 32 -3.736 3.760 -1.838 1.00 0.00 C ATOM 499 CD LYS A 32 -3.784 4.621 -3.106 1.00 0.00 C ATOM 500 CE LYS A 32 -5.208 5.139 -3.328 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.405 5.098 -4.804 1.00 0.00 N ATOM 0 H LYS A 32 -3.220 2.967 0.914 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.031 5.283 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.817 4.069 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.593 5.530 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.739 3.339 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.426 2.922 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.093 5.459 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.462 4.035 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.940 4.516 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.325 6.152 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.360 5.439 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.699 5.706 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.294 4.121 -5.142 1.00 0.00 H new ATOM 515 N GLN A 33 -2.987 5.814 2.479 1.00 0.00 N ATOM 516 CA GLN A 33 -3.197 6.898 3.487 1.00 0.00 C ATOM 517 C GLN A 33 -1.809 7.250 3.987 1.00 0.00 C ATOM 518 O GLN A 33 -1.404 8.393 4.054 1.00 0.00 O ATOM 519 CB GLN A 33 -4.049 6.278 4.595 1.00 0.00 C ATOM 520 CG GLN A 33 -4.414 7.353 5.620 1.00 0.00 C ATOM 521 CD GLN A 33 -5.569 8.201 5.084 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.419 8.905 4.105 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.725 8.163 5.690 1.00 0.00 N ATOM 0 H GLN A 33 -2.734 4.905 2.868 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.693 7.792 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.954 5.842 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.502 5.469 5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.698 6.888 6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.549 7.985 5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.851 7.572 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.502 8.724 5.342 1.00 0.00 H new ATOM 532 N TYR A 34 -1.061 6.219 4.260 1.00 0.00 N ATOM 533 CA TYR A 34 0.359 6.346 4.683 1.00 0.00 C ATOM 534 C TYR A 34 1.095 7.265 3.687 1.00 0.00 C ATOM 535 O TYR A 34 1.925 8.073 4.056 1.00 0.00 O ATOM 536 CB TYR A 34 0.826 4.884 4.575 1.00 0.00 C ATOM 537 CG TYR A 34 2.338 4.771 4.460 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.972 4.980 3.226 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.100 4.455 5.591 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.365 4.873 3.129 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.492 4.347 5.492 1.00 0.00 C ATOM 542 CZ TYR A 34 5.124 4.556 4.261 1.00 0.00 C ATOM 543 OH TYR A 34 6.497 4.449 4.163 1.00 0.00 O ATOM 0 H TYR A 34 -1.391 5.255 4.204 1.00 0.00 H new ATOM 0 HA TYR A 34 0.530 6.779 5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.488 4.331 5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.361 4.419 3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.386 5.223 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.613 4.294 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.854 5.035 2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.078 4.102 6.365 1.00 0.00 H new ATOM 0 HH TYR A 34 6.871 4.224 5.041 1.00 0.00 H new ATOM 553 N ALA A 35 0.766 7.138 2.426 1.00 0.00 N ATOM 554 CA ALA A 35 1.404 7.989 1.379 1.00 0.00 C ATOM 555 C ALA A 35 1.044 9.459 1.614 1.00 0.00 C ATOM 556 O ALA A 35 1.899 10.324 1.625 1.00 0.00 O ATOM 557 CB ALA A 35 0.809 7.511 0.050 1.00 0.00 C ATOM 0 H ALA A 35 0.076 6.474 2.075 1.00 0.00 H new ATOM 0 HA ALA A 35 2.491 7.909 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.233 8.093 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.043 6.456 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.273 7.643 0.067 1.00 0.00 H new ATOM 563 N ASN A 36 -0.222 9.740 1.798 1.00 0.00 N ATOM 564 CA ASN A 36 -0.659 11.153 2.029 1.00 0.00 C ATOM 565 C ASN A 36 0.004 11.720 3.286 1.00 0.00 C ATOM 566 O ASN A 36 0.512 12.825 3.284 1.00 0.00 O ATOM 567 CB ASN A 36 -2.175 11.081 2.214 1.00 0.00 C ATOM 568 CG ASN A 36 -2.847 10.894 0.852 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.255 11.852 0.227 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.982 9.691 0.363 1.00 0.00 N ATOM 0 H ASN A 36 -0.974 9.051 1.798 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.379 11.805 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.432 10.254 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.538 11.993 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.430 9.556 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.640 8.886 0.887 1.00 0.00 H new ATOM 577 N ASP A 37 0.001 10.969 4.361 1.00 0.00 N ATOM 578 CA ASP A 37 0.631 11.462 5.629 1.00 0.00 C ATOM 579 C ASP A 37 2.095 11.850 5.395 1.00 0.00 C ATOM 580 O ASP A 37 2.665 12.635 6.130 1.00 0.00 O ATOM 581 CB ASP A 37 0.536 10.291 6.609 1.00 0.00 C ATOM 582 CG ASP A 37 0.278 10.824 8.020 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.731 11.482 8.207 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.095 10.564 8.888 1.00 0.00 O ATOM 0 H ASP A 37 -0.410 10.037 4.416 1.00 0.00 H new ATOM 0 HA ASP A 37 0.130 12.353 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.268 9.618 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.460 9.712 6.591 1.00 0.00 H new ATOM 589 N ASN A 38 2.698 11.306 4.374 1.00 0.00 N ATOM 590 CA ASN A 38 4.113 11.627 4.068 1.00 0.00 C ATOM 591 C ASN A 38 4.199 12.590 2.879 1.00 0.00 C ATOM 592 O ASN A 38 5.166 13.311 2.726 1.00 0.00 O ATOM 593 CB ASN A 38 4.758 10.284 3.720 1.00 0.00 C ATOM 594 CG ASN A 38 5.294 9.627 4.992 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.284 10.064 5.545 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.678 8.587 5.485 1.00 0.00 N ATOM 0 H ASN A 38 2.261 10.644 3.733 1.00 0.00 H new ATOM 0 HA ASN A 38 4.613 12.116 4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.028 9.631 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.568 10.432 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.028 8.142 6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.847 8.219 5.022 1.00 0.00 H new ATOM 603 N GLY A 39 3.195 12.601 2.035 1.00 0.00 N ATOM 604 CA GLY A 39 3.214 13.509 0.851 1.00 0.00 C ATOM 605 C GLY A 39 3.525 12.689 -0.400 1.00 0.00 C ATOM 606 O GLY A 39 4.323 13.083 -1.230 1.00 0.00 O ATOM 0 H GLY A 39 2.362 12.018 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.251 14.008 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.964 14.288 0.986 1.00 0.00 H new ATOM 610 N ILE A 40 2.903 11.546 -0.534 1.00 0.00 N ATOM 611 CA ILE A 40 3.155 10.679 -1.718 1.00 0.00 C ATOM 612 C ILE A 40 1.979 10.784 -2.695 1.00 0.00 C ATOM 613 O ILE A 40 0.827 10.750 -2.306 1.00 0.00 O ATOM 614 CB ILE A 40 3.314 9.274 -1.102 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.781 9.058 -0.762 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.865 8.150 -2.046 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.180 9.995 0.372 1.00 0.00 C ATOM 0 H ILE A 40 2.226 11.175 0.133 1.00 0.00 H new ATOM 0 HA ILE A 40 4.032 10.953 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 40 2.678 9.233 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.949 8.022 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.401 9.246 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.001 7.186 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.813 8.284 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.462 8.180 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.231 9.842 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.027 11.028 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.568 9.785 1.249 1.00 0.00 H new ATOM 629 N ASP A 41 2.279 10.913 -3.956 1.00 0.00 N ATOM 630 CA ASP A 41 1.195 11.021 -4.981 1.00 0.00 C ATOM 631 C ASP A 41 1.756 10.857 -6.398 1.00 0.00 C ATOM 632 O ASP A 41 2.256 11.796 -6.989 1.00 0.00 O ATOM 633 CB ASP A 41 0.614 12.424 -4.796 1.00 0.00 C ATOM 634 CG ASP A 41 -0.796 12.475 -5.388 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.582 11.595 -5.074 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.067 13.393 -6.145 1.00 0.00 O ATOM 0 H ASP A 41 3.229 10.949 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 41 0.444 10.241 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.585 12.680 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.252 13.161 -5.285 1.00 0.00 H new ATOM 641 N GLY A 42 1.660 9.672 -6.947 1.00 0.00 N ATOM 642 CA GLY A 42 2.168 9.432 -8.330 1.00 0.00 C ATOM 643 C GLY A 42 1.330 8.334 -8.993 1.00 0.00 C ATOM 644 O GLY A 42 0.626 8.577 -9.955 1.00 0.00 O ATOM 0 H GLY A 42 1.249 8.857 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.113 10.350 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.217 9.136 -8.299 1.00 0.00 H new ATOM 648 N GLU A 43 1.399 7.131 -8.481 1.00 0.00 N ATOM 649 CA GLU A 43 0.605 6.007 -9.074 1.00 0.00 C ATOM 650 C GLU A 43 0.340 4.932 -8.016 1.00 0.00 C ATOM 651 O GLU A 43 0.853 5.001 -6.925 1.00 0.00 O ATOM 652 CB GLU A 43 1.481 5.447 -10.195 1.00 0.00 C ATOM 653 CG GLU A 43 1.411 6.371 -11.411 1.00 0.00 C ATOM 654 CD GLU A 43 1.553 5.544 -12.691 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.614 4.977 -12.890 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.598 5.492 -13.447 1.00 0.00 O ATOM 0 H GLU A 43 1.972 6.876 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.365 6.339 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.512 5.356 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.146 4.446 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.464 6.910 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.203 7.118 -11.359 1.00 0.00 H new ATOM 663 N TRP A 44 -0.454 3.940 -8.342 1.00 0.00 N ATOM 664 CA TRP A 44 -0.758 2.844 -7.362 1.00 0.00 C ATOM 665 C TRP A 44 -1.147 1.573 -8.112 1.00 0.00 C ATOM 666 O TRP A 44 -2.067 1.570 -8.909 1.00 0.00 O ATOM 667 CB TRP A 44 -1.947 3.347 -6.536 1.00 0.00 C ATOM 668 CG TRP A 44 -1.451 4.188 -5.414 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.321 5.534 -5.430 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.024 3.748 -4.104 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.811 5.943 -4.211 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.615 4.876 -3.358 1.00 0.00 C ATOM 673 CE3 TRP A 44 -0.947 2.481 -3.505 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.141 4.753 -2.054 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.473 2.353 -2.190 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.067 3.488 -1.468 1.00 0.00 C ATOM 0 H TRP A 44 -0.908 3.840 -9.250 1.00 0.00 H new ATOM 0 HA TRP A 44 0.102 2.610 -6.734 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.623 3.925 -7.166 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.517 2.503 -6.148 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.573 6.182 -6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.605 6.913 -3.972 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.253 1.604 -4.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.167 5.628 -1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.420 1.377 -1.731 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.303 3.382 -0.459 1.00 0.00 H new ATOM 687 N THR A 45 -0.454 0.493 -7.861 1.00 0.00 N ATOM 688 CA THR A 45 -0.782 -0.787 -8.559 1.00 0.00 C ATOM 689 C THR A 45 -0.689 -1.937 -7.569 1.00 0.00 C ATOM 690 O THR A 45 0.261 -2.041 -6.820 1.00 0.00 O ATOM 691 CB THR A 45 0.262 -0.969 -9.674 1.00 0.00 C ATOM 692 OG1 THR A 45 1.490 -1.409 -9.111 1.00 0.00 O ATOM 693 CG2 THR A 45 0.487 0.350 -10.413 1.00 0.00 C ATOM 0 H THR A 45 0.324 0.441 -7.204 1.00 0.00 H new ATOM 0 HA THR A 45 -1.790 -0.768 -8.973 1.00 0.00 H new ATOM 0 HB THR A 45 -0.107 -1.713 -10.380 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.153 -1.526 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.228 0.205 -11.199 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.451 0.683 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.845 1.104 -9.711 1.00 0.00 H new ATOM 701 N TYR A 46 -1.663 -2.800 -7.567 1.00 0.00 N ATOM 702 CA TYR A 46 -1.637 -3.955 -6.628 1.00 0.00 C ATOM 703 C TYR A 46 -1.070 -5.194 -7.340 1.00 0.00 C ATOM 704 O TYR A 46 -1.417 -5.487 -8.468 1.00 0.00 O ATOM 705 CB TYR A 46 -3.101 -4.162 -6.211 1.00 0.00 C ATOM 706 CG TYR A 46 -3.237 -5.470 -5.459 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.457 -5.702 -4.321 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.118 -6.455 -5.917 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.561 -6.916 -3.638 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.220 -7.673 -5.235 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.443 -7.904 -4.095 1.00 0.00 C ATOM 712 OH TYR A 46 -3.546 -9.106 -3.424 1.00 0.00 O ATOM 0 H TYR A 46 -2.479 -2.756 -8.177 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.002 -3.781 -5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.431 -3.334 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.743 -4.169 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.774 -4.942 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.719 -6.276 -6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.961 -7.093 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.899 -8.435 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.204 -9.676 -3.874 1.00 0.00 H new ATOM 722 N ASP A 47 -0.213 -5.926 -6.673 1.00 0.00 N ATOM 723 CA ASP A 47 0.368 -7.155 -7.289 1.00 0.00 C ATOM 724 C ASP A 47 -0.285 -8.390 -6.665 1.00 0.00 C ATOM 725 O ASP A 47 0.076 -8.812 -5.582 1.00 0.00 O ATOM 726 CB ASP A 47 1.865 -7.120 -6.966 1.00 0.00 C ATOM 727 CG ASP A 47 2.485 -5.832 -7.514 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.042 -5.383 -8.558 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.393 -5.320 -6.881 1.00 0.00 O ATOM 0 H ASP A 47 0.109 -5.724 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 47 0.200 -7.196 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.015 -7.176 -5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.361 -7.987 -7.402 1.00 0.00 H new ATOM 734 N ASP A 48 -1.245 -8.966 -7.343 1.00 0.00 N ATOM 735 CA ASP A 48 -1.940 -10.176 -6.800 1.00 0.00 C ATOM 736 C ASP A 48 -1.023 -11.412 -6.818 1.00 0.00 C ATOM 737 O ASP A 48 -1.391 -12.464 -6.329 1.00 0.00 O ATOM 738 CB ASP A 48 -3.151 -10.392 -7.718 1.00 0.00 C ATOM 739 CG ASP A 48 -2.681 -10.595 -9.162 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.556 -9.607 -9.868 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.454 -11.734 -9.536 1.00 0.00 O ATOM 0 H ASP A 48 -1.580 -8.650 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.230 -10.031 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.720 -11.261 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.819 -9.533 -7.661 1.00 0.00 H new ATOM 746 N ALA A 49 0.162 -11.294 -7.363 1.00 0.00 N ATOM 747 CA ALA A 49 1.098 -12.455 -7.400 1.00 0.00 C ATOM 748 C ALA A 49 2.020 -12.410 -6.182 1.00 0.00 C ATOM 749 O ALA A 49 2.501 -13.428 -5.719 1.00 0.00 O ATOM 750 CB ALA A 49 1.901 -12.278 -8.689 1.00 0.00 C ATOM 0 H ALA A 49 0.521 -10.438 -7.786 1.00 0.00 H new ATOM 0 HA ALA A 49 0.578 -13.413 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.614 -13.096 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.224 -12.281 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.438 -11.330 -8.656 1.00 0.00 H new ATOM 756 N THR A 50 2.256 -11.236 -5.649 1.00 0.00 N ATOM 757 CA THR A 50 3.130 -11.114 -4.448 1.00 0.00 C ATOM 758 C THR A 50 2.400 -10.347 -3.340 1.00 0.00 C ATOM 759 O THR A 50 2.982 -10.008 -2.328 1.00 0.00 O ATOM 760 CB THR A 50 4.352 -10.329 -4.927 1.00 0.00 C ATOM 761 OG1 THR A 50 3.935 -9.070 -5.437 1.00 0.00 O ATOM 762 CG2 THR A 50 5.067 -11.117 -6.025 1.00 0.00 C ATOM 0 H THR A 50 1.878 -10.355 -5.998 1.00 0.00 H new ATOM 0 HA THR A 50 3.405 -12.085 -4.035 1.00 0.00 H new ATOM 0 HB THR A 50 5.035 -10.173 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.718 -8.565 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.938 -10.557 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.387 -12.082 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.386 -11.275 -6.862 1.00 0.00 H new ATOM 770 N LYS A 51 1.123 -10.062 -3.521 1.00 0.00 N ATOM 771 CA LYS A 51 0.352 -9.308 -2.480 1.00 0.00 C ATOM 772 C LYS A 51 1.072 -8.004 -2.123 1.00 0.00 C ATOM 773 O LYS A 51 1.117 -7.603 -0.975 1.00 0.00 O ATOM 774 CB LYS A 51 0.282 -10.239 -1.263 1.00 0.00 C ATOM 775 CG LYS A 51 -0.568 -11.467 -1.605 1.00 0.00 C ATOM 776 CD LYS A 51 -2.003 -11.247 -1.122 1.00 0.00 C ATOM 777 CE LYS A 51 -2.654 -12.599 -0.820 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.131 -12.986 0.520 1.00 0.00 N ATOM 0 H LYS A 51 0.586 -10.322 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.643 -9.034 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.285 -10.548 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.149 -9.711 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.558 -11.641 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.147 -12.356 -1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.005 -10.623 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.577 -10.717 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.741 -12.521 -0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.393 -13.341 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.752 -13.954 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.374 -12.330 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.901 -12.945 1.218 1.00 0.00 H new ATOM 792 N THR A 52 1.643 -7.351 -3.102 1.00 0.00 N ATOM 793 CA THR A 52 2.371 -6.074 -2.829 1.00 0.00 C ATOM 794 C THR A 52 1.885 -4.965 -3.767 1.00 0.00 C ATOM 795 O THR A 52 1.732 -5.172 -4.956 1.00 0.00 O ATOM 796 CB THR A 52 3.842 -6.393 -3.097 1.00 0.00 C ATOM 797 OG1 THR A 52 4.169 -7.644 -2.507 1.00 0.00 O ATOM 798 CG2 THR A 52 4.723 -5.297 -2.496 1.00 0.00 C ATOM 0 H THR A 52 1.637 -7.646 -4.078 1.00 0.00 H new ATOM 0 HA THR A 52 2.205 -5.719 -1.812 1.00 0.00 H new ATOM 0 HB THR A 52 4.013 -6.442 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.038 -8.360 -3.164 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.771 -5.526 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.472 -4.339 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.555 -5.244 -1.420 1.00 0.00 H new ATOM 806 N PHE A 53 1.643 -3.788 -3.243 1.00 0.00 N ATOM 807 CA PHE A 53 1.171 -2.666 -4.109 1.00 0.00 C ATOM 808 C PHE A 53 2.379 -1.923 -4.703 1.00 0.00 C ATOM 809 O PHE A 53 3.501 -2.383 -4.586 1.00 0.00 O ATOM 810 CB PHE A 53 0.343 -1.769 -3.186 1.00 0.00 C ATOM 811 CG PHE A 53 -0.950 -2.473 -2.835 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.952 -3.495 -1.874 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.147 -2.115 -3.473 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.147 -4.153 -1.551 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.338 -2.778 -3.149 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.337 -3.794 -2.190 1.00 0.00 C ATOM 0 H PHE A 53 1.752 -3.557 -2.255 1.00 0.00 H new ATOM 0 HA PHE A 53 0.575 -3.005 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.905 -1.542 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.132 -0.819 -3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.032 -3.775 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.150 -1.329 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.148 -4.937 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.259 -2.503 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.257 -4.303 -1.942 1.00 0.00 H new ATOM 826 N THR A 54 2.173 -0.788 -5.341 1.00 0.00 N ATOM 827 CA THR A 54 3.322 -0.047 -5.935 1.00 0.00 C ATOM 828 C THR A 54 2.936 1.415 -6.047 1.00 0.00 C ATOM 829 O THR A 54 2.160 1.798 -6.904 1.00 0.00 O ATOM 830 CB THR A 54 3.548 -0.652 -7.326 1.00 0.00 C ATOM 831 OG1 THR A 54 3.184 -2.028 -7.324 1.00 0.00 O ATOM 832 CG2 THR A 54 5.023 -0.519 -7.704 1.00 0.00 C ATOM 0 H THR A 54 1.261 -0.351 -5.471 1.00 0.00 H new ATOM 0 HA THR A 54 4.228 -0.122 -5.334 1.00 0.00 H new ATOM 0 HB THR A 54 2.932 -0.120 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.547 -2.199 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.185 -0.949 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.302 0.535 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.635 -1.048 -6.973 1.00 0.00 H new ATOM 840 N VAL A 55 3.452 2.229 -5.175 1.00 0.00 N ATOM 841 CA VAL A 55 3.095 3.675 -5.210 1.00 0.00 C ATOM 842 C VAL A 55 4.299 4.515 -5.633 1.00 0.00 C ATOM 843 O VAL A 55 5.396 4.347 -5.137 1.00 0.00 O ATOM 844 CB VAL A 55 2.614 4.017 -3.785 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.663 3.599 -2.756 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.347 5.522 -3.661 1.00 0.00 C ATOM 0 H VAL A 55 4.105 1.959 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 55 2.315 3.892 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 55 1.689 3.472 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.310 3.847 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.833 2.525 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.596 4.127 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.008 5.749 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.265 6.073 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.578 5.815 -4.376 1.00 0.00 H new ATOM 856 N THR A 56 4.091 5.416 -6.556 1.00 0.00 N ATOM 857 CA THR A 56 5.204 6.280 -7.031 1.00 0.00 C ATOM 858 C THR A 56 4.800 7.756 -6.897 1.00 0.00 C ATOM 859 O THR A 56 3.729 8.069 -6.411 1.00 0.00 O ATOM 860 CB THR A 56 5.446 5.837 -8.498 1.00 0.00 C ATOM 861 OG1 THR A 56 6.827 5.969 -8.804 1.00 0.00 O ATOM 862 CG2 THR A 56 4.624 6.656 -9.507 1.00 0.00 C ATOM 0 H THR A 56 3.191 5.590 -7.003 1.00 0.00 H new ATOM 0 HA THR A 56 6.122 6.179 -6.453 1.00 0.00 H new ATOM 0 HB THR A 56 5.125 4.799 -8.582 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.005 5.581 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.832 6.304 -10.517 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.562 6.537 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.894 7.709 -9.427 1.00 0.00 H new ATOM 870 N GLU A 57 5.649 8.652 -7.321 1.00 0.00 N ATOM 871 CA GLU A 57 5.321 10.106 -7.222 1.00 0.00 C ATOM 872 C GLU A 57 5.558 10.796 -8.568 1.00 0.00 C ATOM 873 O GLU A 57 6.044 10.135 -9.473 1.00 0.00 O ATOM 874 CB GLU A 57 6.277 10.655 -6.162 1.00 0.00 C ATOM 875 CG GLU A 57 5.852 12.073 -5.775 1.00 0.00 C ATOM 876 CD GLU A 57 6.321 12.374 -4.351 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.147 11.519 -3.498 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.845 13.454 -4.136 1.00 0.00 O ATOM 879 OXT GLU A 57 5.250 11.972 -8.672 1.00 0.00 O ATOM 0 H GLU A 57 6.558 8.441 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 57 4.277 10.277 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.272 10.010 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.297 10.662 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.280 12.795 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.768 12.170 -5.841 1.00 0.00 H new TER 886 GLU A 57