USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 27 LYS NZ :NH3+ -150:sc= -8.66! (180deg=-10.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= -9.13! C(o=-18!,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.22 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -1.65 K(o=-1.6,f=-3.6!) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0164 (180deg=-0.312) USER MOD Single : A 7 THR OG1 : rot -78:sc= 0.408 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0.0182 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -13:sc= 0.456! USER MOD Single : A 14 THR OG1 : rot 16:sc= 0.174! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 25 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.01) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= 0.627 (180deg=-2.17!) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.67! C(o=-7.8!,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0489 K(o=-0.049,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.702 K(o=0.7,f=-0.081) USER MOD Single : A 62 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 166:sc= 0.299 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 68 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.344 -4.942 7.158 1.00 0.00 N ATOM 2 CA MET A 1 48.890 -4.372 5.896 1.00 0.00 C ATOM 3 C MET A 1 50.351 -4.787 5.754 1.00 0.00 C ATOM 4 O MET A 1 51.145 -4.651 6.685 1.00 0.00 O ATOM 5 CB MET A 1 48.763 -2.847 5.934 1.00 0.00 C ATOM 6 CG MET A 1 47.369 -2.436 5.449 1.00 0.00 C ATOM 7 SD MET A 1 46.117 -3.089 6.586 1.00 0.00 S ATOM 8 CE MET A 1 45.723 -1.535 7.423 1.00 0.00 C ATOM 0 H1 MET A 1 47.363 -4.622 7.288 1.00 0.00 H new ATOM 0 H2 MET A 1 48.365 -5.981 7.108 1.00 0.00 H new ATOM 0 H3 MET A 1 48.922 -4.623 7.962 1.00 0.00 H new ATOM 0 HA MET A 1 48.331 -4.747 5.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.928 -2.483 6.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.527 -2.392 5.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.296 -1.350 5.396 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.196 -2.817 4.442 1.00 0.00 H new ATOM 0 HE1 MET A 1 44.958 -1.713 8.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.620 -1.141 7.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.353 -0.813 6.695 1.00 0.00 H new ATOM 20 N GLN A 2 50.687 -5.313 4.582 1.00 0.00 N ATOM 21 CA GLN A 2 52.041 -5.779 4.298 1.00 0.00 C ATOM 22 C GLN A 2 52.558 -5.139 3.013 1.00 0.00 C ATOM 23 O GLN A 2 51.794 -4.523 2.271 1.00 0.00 O ATOM 24 CB GLN A 2 52.047 -7.307 4.171 1.00 0.00 C ATOM 25 CG GLN A 2 52.113 -7.949 5.563 1.00 0.00 C ATOM 26 CD GLN A 2 50.774 -7.794 6.277 1.00 0.00 C ATOM 27 OE1 GLN A 2 49.724 -7.775 5.636 1.00 0.00 O ATOM 28 NE2 GLN A 2 50.748 -7.688 7.579 1.00 0.00 N ATOM 0 H GLN A 2 50.035 -5.428 3.806 1.00 0.00 H new ATOM 0 HA GLN A 2 52.698 -5.489 5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 2 51.150 -7.640 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.900 -7.627 3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.365 -9.006 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 2 52.903 -7.481 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.619 -7.704 8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 2 49.857 -7.589 8.065 1.00 0.00 H new ATOM 37 N ILE A 3 53.858 -5.278 2.754 1.00 0.00 N ATOM 38 CA ILE A 3 54.451 -4.699 1.549 1.00 0.00 C ATOM 39 C ILE A 3 55.005 -5.797 0.655 1.00 0.00 C ATOM 40 O ILE A 3 55.390 -6.869 1.122 1.00 0.00 O ATOM 41 CB ILE A 3 55.574 -3.711 1.912 1.00 0.00 C ATOM 42 CG1 ILE A 3 54.953 -2.350 2.307 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.518 -3.540 0.706 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.792 -1.192 1.749 1.00 0.00 C ATOM 0 H ILE A 3 54.513 -5.780 3.354 1.00 0.00 H new ATOM 0 HA ILE A 3 53.670 -4.159 1.014 1.00 0.00 H new ATOM 0 HB ILE A 3 56.147 -4.096 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 3 53.934 -2.285 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.893 -2.273 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.313 -2.840 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 3 56.953 -4.505 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 3 55.956 -3.154 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.340 -0.243 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.803 -1.249 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 3 55.830 -1.261 0.662 1.00 0.00 H new ATOM 56 N PHE A 4 55.016 -5.516 -0.643 1.00 0.00 N ATOM 57 CA PHE A 4 55.495 -6.470 -1.630 1.00 0.00 C ATOM 58 C PHE A 4 56.310 -5.762 -2.713 1.00 0.00 C ATOM 59 O PHE A 4 55.884 -4.742 -3.255 1.00 0.00 O ATOM 60 CB PHE A 4 54.280 -7.174 -2.243 1.00 0.00 C ATOM 61 CG PHE A 4 54.578 -7.646 -3.645 1.00 0.00 C ATOM 62 CD1 PHE A 4 55.785 -8.291 -3.924 1.00 0.00 C ATOM 63 CD2 PHE A 4 53.639 -7.443 -4.664 1.00 0.00 C ATOM 64 CE1 PHE A 4 56.057 -8.737 -5.223 1.00 0.00 C ATOM 65 CE2 PHE A 4 53.910 -7.890 -5.963 1.00 0.00 C ATOM 66 CZ PHE A 4 55.119 -8.536 -6.242 1.00 0.00 C ATOM 0 H PHE A 4 54.697 -4.630 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 4 56.148 -7.201 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.996 -8.024 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 4 53.430 -6.492 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.509 -8.446 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 4 52.707 -6.942 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 4 56.990 -9.236 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 4 53.186 -7.736 -6.749 1.00 0.00 H new ATOM 0 HZ PHE A 4 55.329 -8.880 -7.244 1.00 0.00 H new ATOM 76 N VAL A 5 57.480 -6.317 -3.027 1.00 0.00 N ATOM 77 CA VAL A 5 58.348 -5.744 -4.053 1.00 0.00 C ATOM 78 C VAL A 5 58.573 -6.753 -5.177 1.00 0.00 C ATOM 79 O VAL A 5 58.876 -7.917 -4.925 1.00 0.00 O ATOM 80 CB VAL A 5 59.696 -5.356 -3.442 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.599 -4.785 -4.535 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.485 -4.300 -2.355 1.00 0.00 C ATOM 0 H VAL A 5 57.847 -7.161 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 5 57.865 -4.855 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 5 60.162 -6.238 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.561 -4.507 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 5 60.752 -5.536 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.129 -3.904 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.447 -4.026 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 5 59.019 -3.417 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.838 -4.704 -1.576 1.00 0.00 H new ATOM 92 N LYS A 6 58.418 -6.302 -6.418 1.00 0.00 N ATOM 93 CA LYS A 6 58.602 -7.182 -7.570 1.00 0.00 C ATOM 94 C LYS A 6 59.961 -6.946 -8.225 1.00 0.00 C ATOM 95 O LYS A 6 60.269 -5.834 -8.655 1.00 0.00 O ATOM 96 CB LYS A 6 57.495 -6.930 -8.594 1.00 0.00 C ATOM 97 CG LYS A 6 57.426 -8.100 -9.577 1.00 0.00 C ATOM 98 CD LYS A 6 56.234 -7.906 -10.513 1.00 0.00 C ATOM 99 CE LYS A 6 56.219 -9.021 -11.560 1.00 0.00 C ATOM 100 NZ LYS A 6 57.343 -8.818 -12.515 1.00 0.00 N ATOM 0 H LYS A 6 58.168 -5.341 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 6 58.557 -8.214 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 6 56.537 -6.812 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 6 57.688 -6.002 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 6 58.349 -8.160 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 6 57.327 -9.040 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 55.305 -7.916 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.297 -6.934 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.311 -9.992 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.269 -9.021 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.159 -9.355 -13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.427 -7.807 -12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 58.229 -9.151 -12.084 1.00 0.00 H new ATOM 114 N THR A 7 60.766 -8.002 -8.302 1.00 0.00 N ATOM 115 CA THR A 7 62.090 -7.907 -8.912 1.00 0.00 C ATOM 116 C THR A 7 62.006 -8.192 -10.410 1.00 0.00 C ATOM 117 O THR A 7 61.033 -8.777 -10.886 1.00 0.00 O ATOM 118 CB THR A 7 63.044 -8.908 -8.250 1.00 0.00 C ATOM 119 OG1 THR A 7 62.345 -10.116 -7.985 1.00 0.00 O ATOM 120 CG2 THR A 7 63.576 -8.328 -6.937 1.00 0.00 C ATOM 0 H THR A 7 60.527 -8.930 -7.952 1.00 0.00 H new ATOM 0 HA THR A 7 62.469 -6.896 -8.765 1.00 0.00 H new ATOM 0 HB THR A 7 63.881 -9.106 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 7 61.794 -10.006 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.253 -9.044 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.111 -7.400 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.742 -8.126 -6.264 1.00 0.00 H new ATOM 128 N LEU A 8 63.031 -7.774 -11.145 1.00 0.00 N ATOM 129 CA LEU A 8 63.065 -7.988 -12.588 1.00 0.00 C ATOM 130 C LEU A 8 63.293 -9.465 -12.908 1.00 0.00 C ATOM 131 O LEU A 8 63.268 -9.870 -14.070 1.00 0.00 O ATOM 132 CB LEU A 8 64.181 -7.136 -13.213 1.00 0.00 C ATOM 133 CG LEU A 8 63.667 -6.437 -14.479 1.00 0.00 C ATOM 134 CD1 LEU A 8 62.849 -5.201 -14.090 1.00 0.00 C ATOM 135 CD2 LEU A 8 64.858 -6.007 -15.340 1.00 0.00 C ATOM 0 H LEU A 8 63.845 -7.288 -10.769 1.00 0.00 H new ATOM 0 HA LEU A 8 62.105 -7.689 -13.008 1.00 0.00 H new ATOM 0 HB2 LEU A 8 64.528 -6.394 -12.494 1.00 0.00 H new ATOM 0 HB3 LEU A 8 65.036 -7.766 -13.458 1.00 0.00 H new ATOM 0 HG LEU A 8 63.036 -7.125 -15.042 1.00 0.00 H new ATOM 0 HD11 LEU A 8 62.485 -4.707 -14.991 1.00 0.00 H new ATOM 0 HD12 LEU A 8 62.001 -5.504 -13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 8 63.477 -4.511 -13.526 1.00 0.00 H new ATOM 0 HD21 LEU A 8 64.496 -5.510 -16.240 1.00 0.00 H new ATOM 0 HD22 LEU A 8 65.487 -5.320 -14.774 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.441 -6.885 -15.620 1.00 0.00 H new ATOM 147 N THR A 9 63.517 -10.265 -11.868 1.00 0.00 N ATOM 148 CA THR A 9 63.748 -11.696 -12.044 1.00 0.00 C ATOM 149 C THR A 9 62.447 -12.470 -11.850 1.00 0.00 C ATOM 150 O THR A 9 62.424 -13.698 -11.921 1.00 0.00 O ATOM 151 CB THR A 9 64.795 -12.183 -11.034 1.00 0.00 C ATOM 152 OG1 THR A 9 65.791 -11.183 -10.873 1.00 0.00 O ATOM 153 CG2 THR A 9 65.445 -13.473 -11.540 1.00 0.00 C ATOM 0 H THR A 9 63.543 -9.948 -10.899 1.00 0.00 H new ATOM 0 HA THR A 9 64.114 -11.870 -13.056 1.00 0.00 H new ATOM 0 HB THR A 9 64.311 -12.378 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 9 66.461 -11.490 -10.227 1.00 0.00 H new ATOM 0 HG21 THR A 9 66.188 -13.814 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 9 64.681 -14.241 -11.665 1.00 0.00 H new ATOM 0 HG23 THR A 9 65.930 -13.285 -12.498 1.00 0.00 H new ATOM 161 N GLY A 10 61.364 -11.739 -11.602 1.00 0.00 N ATOM 162 CA GLY A 10 60.063 -12.363 -11.396 1.00 0.00 C ATOM 163 C GLY A 10 59.949 -12.925 -9.983 1.00 0.00 C ATOM 164 O GLY A 10 58.896 -13.427 -9.588 1.00 0.00 O ATOM 0 H GLY A 10 61.362 -10.721 -11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 10 59.273 -11.632 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 10 59.919 -13.162 -12.123 1.00 0.00 H new ATOM 168 N LYS A 11 61.039 -12.835 -9.228 1.00 0.00 N ATOM 169 CA LYS A 11 61.053 -13.336 -7.858 1.00 0.00 C ATOM 170 C LYS A 11 60.237 -12.419 -6.951 1.00 0.00 C ATOM 171 O LYS A 11 60.502 -11.220 -6.863 1.00 0.00 O ATOM 172 CB LYS A 11 62.502 -13.421 -7.351 1.00 0.00 C ATOM 173 CG LYS A 11 62.687 -14.664 -6.474 1.00 0.00 C ATOM 174 CD LYS A 11 61.877 -14.513 -5.184 1.00 0.00 C ATOM 175 CE LYS A 11 62.208 -15.665 -4.230 1.00 0.00 C ATOM 176 NZ LYS A 11 61.766 -15.313 -2.851 1.00 0.00 N ATOM 0 H LYS A 11 61.919 -12.423 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 11 60.607 -14.331 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.189 -13.459 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.748 -12.525 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 11 62.364 -15.553 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 11 63.742 -14.800 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 11 62.104 -13.558 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 60.811 -14.510 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 11 61.712 -16.578 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 63.280 -15.863 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 61.509 -16.180 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 62.540 -14.831 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 60.941 -14.682 -2.901 1.00 0.00 H new ATOM 190 N THR A 12 59.240 -12.990 -6.283 1.00 0.00 N ATOM 191 CA THR A 12 58.386 -12.214 -5.389 1.00 0.00 C ATOM 192 C THR A 12 58.924 -12.239 -3.962 1.00 0.00 C ATOM 193 O THR A 12 59.129 -13.305 -3.381 1.00 0.00 O ATOM 194 CB THR A 12 56.966 -12.784 -5.404 1.00 0.00 C ATOM 195 OG1 THR A 12 56.872 -13.838 -4.457 1.00 0.00 O ATOM 196 CG2 THR A 12 56.644 -13.319 -6.799 1.00 0.00 C ATOM 0 H THR A 12 59.004 -13.981 -6.342 1.00 0.00 H new ATOM 0 HA THR A 12 58.375 -11.182 -5.740 1.00 0.00 H new ATOM 0 HB THR A 12 56.255 -11.999 -5.146 1.00 0.00 H new ATOM 0 HG1 THR A 12 57.771 -14.095 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 12 55.632 -13.725 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 12 56.717 -12.509 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 12 57.353 -14.105 -7.060 1.00 0.00 H new ATOM 204 N ILE A 13 59.139 -11.052 -3.400 1.00 0.00 N ATOM 205 CA ILE A 13 59.643 -10.929 -2.034 1.00 0.00 C ATOM 206 C ILE A 13 58.625 -10.182 -1.172 1.00 0.00 C ATOM 207 O ILE A 13 58.254 -9.049 -1.476 1.00 0.00 O ATOM 208 CB ILE A 13 60.982 -10.177 -2.038 1.00 0.00 C ATOM 209 CG1 ILE A 13 61.701 -10.386 -0.694 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.739 -8.682 -2.266 1.00 0.00 C ATOM 211 CD1 ILE A 13 62.725 -11.514 -0.832 1.00 0.00 C ATOM 0 H ILE A 13 58.972 -10.162 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 13 59.798 -11.925 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 13 61.606 -10.565 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 13 62.198 -9.465 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.977 -10.631 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.693 -8.154 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.242 -8.536 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.109 -8.290 -1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.234 -11.662 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 13 62.216 -12.434 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.456 -11.251 -1.597 1.00 0.00 H new ATOM 223 N THR A 14 58.168 -10.829 -0.101 1.00 0.00 N ATOM 224 CA THR A 14 57.183 -10.219 0.790 1.00 0.00 C ATOM 225 C THR A 14 57.803 -9.888 2.145 1.00 0.00 C ATOM 226 O THR A 14 58.490 -10.717 2.741 1.00 0.00 O ATOM 227 CB THR A 14 56.000 -11.171 0.994 1.00 0.00 C ATOM 228 OG1 THR A 14 56.365 -12.184 1.922 1.00 0.00 O ATOM 229 CG2 THR A 14 55.618 -11.812 -0.342 1.00 0.00 C ATOM 0 H THR A 14 58.461 -11.768 0.169 1.00 0.00 H new ATOM 0 HA THR A 14 56.837 -9.295 0.328 1.00 0.00 H new ATOM 0 HB THR A 14 55.147 -10.613 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 14 57.172 -11.909 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.776 -12.489 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.337 -11.034 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.468 -12.371 -0.734 1.00 0.00 H new ATOM 237 N LEU A 15 57.546 -8.671 2.624 1.00 0.00 N ATOM 238 CA LEU A 15 58.071 -8.229 3.917 1.00 0.00 C ATOM 239 C LEU A 15 56.922 -7.976 4.874 1.00 0.00 C ATOM 240 O LEU A 15 55.857 -7.517 4.460 1.00 0.00 O ATOM 241 CB LEU A 15 58.917 -6.949 3.752 1.00 0.00 C ATOM 242 CG LEU A 15 58.781 -6.390 2.327 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.178 -4.911 2.319 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.704 -7.166 1.377 1.00 0.00 C ATOM 0 H LEU A 15 56.980 -7.975 2.139 1.00 0.00 H new ATOM 0 HA LEU A 15 58.712 -9.012 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.596 -6.199 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 15 59.963 -7.169 3.964 1.00 0.00 H new ATOM 0 HG LEU A 15 57.748 -6.495 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.082 -4.514 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.524 -4.355 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.211 -4.810 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.605 -6.767 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 15 60.737 -7.063 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.426 -8.220 1.380 1.00 0.00 H new ATOM 256 N GLU A 16 57.138 -8.252 6.156 1.00 0.00 N ATOM 257 CA GLU A 16 56.086 -8.011 7.125 1.00 0.00 C ATOM 258 C GLU A 16 56.332 -6.662 7.752 1.00 0.00 C ATOM 259 O GLU A 16 57.305 -6.462 8.479 1.00 0.00 O ATOM 260 CB GLU A 16 56.089 -9.094 8.207 1.00 0.00 C ATOM 261 CG GLU A 16 56.251 -10.470 7.560 1.00 0.00 C ATOM 262 CD GLU A 16 57.703 -10.684 7.145 1.00 0.00 C ATOM 263 OE1 GLU A 16 58.577 -10.301 7.903 1.00 0.00 O ATOM 264 OE2 GLU A 16 57.917 -11.230 6.075 1.00 0.00 O ATOM 0 H GLU A 16 58.005 -8.631 6.536 1.00 0.00 H new ATOM 0 HA GLU A 16 55.115 -8.034 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 16 56.901 -8.915 8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 55.160 -9.056 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 55.946 -11.248 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 16 55.600 -10.551 6.690 1.00 0.00 H new ATOM 271 N VAL A 17 55.458 -5.730 7.429 1.00 0.00 N ATOM 272 CA VAL A 17 55.596 -4.381 7.922 1.00 0.00 C ATOM 273 C VAL A 17 54.256 -3.698 8.068 1.00 0.00 C ATOM 274 O VAL A 17 53.340 -3.923 7.277 1.00 0.00 O ATOM 275 CB VAL A 17 56.433 -3.584 6.925 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.745 -3.611 5.560 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.564 -2.130 7.381 1.00 0.00 C ATOM 0 H VAL A 17 54.648 -5.885 6.829 1.00 0.00 H new ATOM 0 HA VAL A 17 56.070 -4.424 8.903 1.00 0.00 H new ATOM 0 HB VAL A 17 57.425 -4.031 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.338 -3.043 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.653 -4.642 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.753 -3.167 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.164 -1.575 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.574 -1.680 7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.048 -2.097 8.357 1.00 0.00 H new ATOM 287 N GLU A 18 54.179 -2.792 9.030 1.00 0.00 N ATOM 288 CA GLU A 18 52.983 -1.993 9.208 1.00 0.00 C ATOM 289 C GLU A 18 52.954 -1.042 8.017 1.00 0.00 C ATOM 290 O GLU A 18 53.878 -1.077 7.217 1.00 0.00 O ATOM 291 CB GLU A 18 53.067 -1.223 10.534 1.00 0.00 C ATOM 292 CG GLU A 18 54.530 -0.884 10.839 1.00 0.00 C ATOM 293 CD GLU A 18 55.218 -2.072 11.506 1.00 0.00 C ATOM 294 OE1 GLU A 18 54.873 -2.372 12.638 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.079 -2.663 10.876 1.00 0.00 O ATOM 0 H GLU A 18 54.927 -2.594 9.695 1.00 0.00 H new ATOM 0 HA GLU A 18 52.077 -2.597 9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.476 -0.309 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.646 -1.822 11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 18 55.050 -0.624 9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 18 54.581 -0.012 11.491 1.00 0.00 H new ATOM 302 N PRO A 19 51.963 -0.216 7.844 1.00 0.00 N ATOM 303 CA PRO A 19 51.918 0.702 6.699 1.00 0.00 C ATOM 304 C PRO A 19 52.882 1.854 6.863 1.00 0.00 C ATOM 305 O PRO A 19 53.049 2.640 5.933 1.00 0.00 O ATOM 306 CB PRO A 19 50.468 1.174 6.612 1.00 0.00 C ATOM 307 CG PRO A 19 49.743 0.477 7.713 1.00 0.00 C ATOM 308 CD PRO A 19 50.792 -0.027 8.682 1.00 0.00 C ATOM 0 HA PRO A 19 52.229 0.208 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.402 2.256 6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.035 0.928 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.052 1.157 8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.150 -0.350 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.981 0.692 9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.485 -0.958 9.158 1.00 0.00 H new ATOM 316 N SER A 20 53.536 1.987 8.029 1.00 0.00 N ATOM 317 CA SER A 20 54.444 3.105 8.131 1.00 0.00 C ATOM 318 C SER A 20 55.715 2.730 7.407 1.00 0.00 C ATOM 319 O SER A 20 56.330 3.576 6.768 1.00 0.00 O ATOM 320 CB SER A 20 54.761 3.410 9.596 1.00 0.00 C ATOM 321 OG SER A 20 55.548 2.356 10.137 1.00 0.00 O ATOM 0 H SER A 20 53.456 1.381 8.845 1.00 0.00 H new ATOM 0 HA SER A 20 53.991 3.993 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.297 4.356 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.837 3.518 10.165 1.00 0.00 H new ATOM 0 HG SER A 20 55.754 2.550 11.075 1.00 0.00 H new ATOM 327 N ASP A 21 56.005 1.428 7.345 1.00 0.00 N ATOM 328 CA ASP A 21 57.081 0.969 6.486 1.00 0.00 C ATOM 329 C ASP A 21 58.177 1.992 6.365 1.00 0.00 C ATOM 330 O ASP A 21 58.289 2.581 5.303 1.00 0.00 O ATOM 331 CB ASP A 21 56.596 0.496 5.111 1.00 0.00 C ATOM 332 CG ASP A 21 55.073 0.421 5.077 1.00 0.00 C ATOM 333 OD1 ASP A 21 54.489 0.302 6.130 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.516 0.479 3.995 1.00 0.00 O ATOM 0 H ASP A 21 55.521 0.697 7.866 1.00 0.00 H new ATOM 0 HA ASP A 21 57.501 0.092 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.949 1.180 4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.019 -0.483 4.887 1.00 0.00 H new ATOM 339 N THR A 22 58.949 2.315 7.370 1.00 0.00 N ATOM 340 CA THR A 22 59.878 3.382 7.087 1.00 0.00 C ATOM 341 C THR A 22 61.022 2.752 6.341 1.00 0.00 C ATOM 342 O THR A 22 61.482 1.659 6.643 1.00 0.00 O ATOM 343 CB THR A 22 60.373 4.021 8.392 1.00 0.00 C ATOM 344 OG1 THR A 22 60.386 3.040 9.417 1.00 0.00 O ATOM 345 CG2 THR A 22 59.437 5.159 8.796 1.00 0.00 C ATOM 0 H THR A 22 58.963 1.905 8.304 1.00 0.00 H new ATOM 0 HA THR A 22 59.410 4.173 6.501 1.00 0.00 H new ATOM 0 HB THR A 22 61.378 4.415 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 22 60.703 3.443 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 22 59.792 5.610 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 22 59.420 5.913 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 22 58.431 4.767 8.945 1.00 0.00 H new ATOM 353 N ILE A 23 61.376 3.438 5.270 1.00 0.00 N ATOM 354 CA ILE A 23 62.361 2.951 4.329 1.00 0.00 C ATOM 355 C ILE A 23 63.649 2.604 5.035 1.00 0.00 C ATOM 356 O ILE A 23 64.278 1.598 4.716 1.00 0.00 O ATOM 357 CB ILE A 23 62.526 3.997 3.216 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.246 4.865 3.212 1.00 0.00 C ATOM 359 CG2 ILE A 23 62.681 3.301 1.856 1.00 0.00 C ATOM 360 CD1 ILE A 23 61.218 5.810 2.006 1.00 0.00 C ATOM 0 H ILE A 23 60.987 4.350 5.030 1.00 0.00 H new ATOM 0 HA ILE A 23 62.031 2.022 3.864 1.00 0.00 H new ATOM 0 HB ILE A 23 63.413 4.606 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 23 60.367 4.221 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 23 61.195 5.446 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 23 62.797 4.052 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.561 2.657 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 23 61.795 2.699 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 23 60.306 6.406 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 23 62.084 6.470 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 23 61.244 5.226 1.086 1.00 0.00 H new ATOM 372 N GLU A 24 63.999 3.355 6.060 1.00 0.00 N ATOM 373 CA GLU A 24 65.164 2.984 6.824 1.00 0.00 C ATOM 374 C GLU A 24 64.837 1.621 7.429 1.00 0.00 C ATOM 375 O GLU A 24 65.699 0.757 7.587 1.00 0.00 O ATOM 376 CB GLU A 24 65.447 4.016 7.922 1.00 0.00 C ATOM 377 CG GLU A 24 66.344 3.399 9.000 1.00 0.00 C ATOM 378 CD GLU A 24 67.022 4.500 9.810 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.374 5.499 10.073 1.00 0.00 O ATOM 380 OE2 GLU A 24 68.179 4.326 10.157 1.00 0.00 O ATOM 0 H GLU A 24 63.512 4.195 6.372 1.00 0.00 H new ATOM 0 HA GLU A 24 66.058 2.944 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 65.931 4.893 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 24 64.510 4.354 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.751 2.765 9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.097 2.761 8.537 1.00 0.00 H new ATOM 387 N ASN A 25 63.543 1.457 7.736 1.00 0.00 N ATOM 388 CA ASN A 25 63.015 0.218 8.301 1.00 0.00 C ATOM 389 C ASN A 25 62.812 -0.867 7.238 1.00 0.00 C ATOM 390 O ASN A 25 63.166 -2.026 7.450 1.00 0.00 O ATOM 391 CB ASN A 25 61.678 0.501 8.988 1.00 0.00 C ATOM 392 CG ASN A 25 61.229 -0.732 9.765 1.00 0.00 C ATOM 393 OD1 ASN A 25 61.469 -0.830 10.968 1.00 0.00 O ATOM 394 ND2 ASN A 25 60.587 -1.683 9.143 1.00 0.00 N ATOM 0 H ASN A 25 62.838 2.181 7.598 1.00 0.00 H new ATOM 0 HA ASN A 25 63.748 -0.152 9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.777 1.352 9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 25 60.926 0.769 8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 25 60.282 -2.511 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 25 60.390 -1.598 8.146 1.00 0.00 H new ATOM 401 N VAL A 26 62.218 -0.491 6.105 1.00 0.00 N ATOM 402 CA VAL A 26 61.951 -1.451 5.037 1.00 0.00 C ATOM 403 C VAL A 26 63.232 -1.855 4.320 1.00 0.00 C ATOM 404 O VAL A 26 63.397 -3.009 3.933 1.00 0.00 O ATOM 405 CB VAL A 26 60.968 -0.862 4.021 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.518 -1.959 3.057 1.00 0.00 C ATOM 407 CG2 VAL A 26 59.744 -0.303 4.750 1.00 0.00 C ATOM 0 H VAL A 26 61.916 0.462 5.905 1.00 0.00 H new ATOM 0 HA VAL A 26 61.515 -2.337 5.497 1.00 0.00 H new ATOM 0 HB VAL A 26 61.459 -0.061 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 26 59.818 -1.542 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.385 -2.362 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.029 -2.757 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.047 0.115 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.254 -1.103 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.058 0.478 5.442 1.00 0.00 H new ATOM 417 N LYS A 27 64.134 -0.903 4.140 1.00 0.00 N ATOM 418 CA LYS A 27 65.387 -1.188 3.454 1.00 0.00 C ATOM 419 C LYS A 27 66.100 -2.344 4.117 1.00 0.00 C ATOM 420 O LYS A 27 66.495 -3.308 3.460 1.00 0.00 O ATOM 421 CB LYS A 27 66.303 0.028 3.505 1.00 0.00 C ATOM 422 CG LYS A 27 65.716 1.157 2.659 1.00 0.00 C ATOM 423 CD LYS A 27 66.360 1.163 1.267 1.00 0.00 C ATOM 424 CE LYS A 27 65.269 1.094 0.207 1.00 0.00 C ATOM 425 NZ LYS A 27 64.432 -0.116 0.440 1.00 0.00 N ATOM 0 H LYS A 27 64.026 0.061 4.454 1.00 0.00 H new ATOM 0 HA LYS A 27 65.153 -1.439 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.424 0.360 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.294 -0.237 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 27 64.637 1.031 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.885 2.115 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.956 2.066 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.038 0.315 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.651 1.991 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.714 1.057 -0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.057 -0.459 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.012 -0.860 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 63.642 0.125 1.072 1.00 0.00 H new ATOM 439 N ALA A 28 66.261 -2.245 5.423 1.00 0.00 N ATOM 440 CA ALA A 28 66.927 -3.292 6.162 1.00 0.00 C ATOM 441 C ALA A 28 66.204 -4.612 5.931 1.00 0.00 C ATOM 442 O ALA A 28 66.835 -5.665 5.836 1.00 0.00 O ATOM 443 CB ALA A 28 66.951 -2.941 7.643 1.00 0.00 C ATOM 0 H ALA A 28 65.942 -1.457 5.987 1.00 0.00 H new ATOM 0 HA ALA A 28 67.956 -3.391 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.454 -3.734 8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.486 -2.002 7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.930 -2.835 8.008 1.00 0.00 H new ATOM 449 N LYS A 29 64.876 -4.548 5.806 1.00 0.00 N ATOM 450 CA LYS A 29 64.099 -5.754 5.545 1.00 0.00 C ATOM 451 C LYS A 29 64.517 -6.306 4.188 1.00 0.00 C ATOM 452 O LYS A 29 64.631 -7.518 4.008 1.00 0.00 O ATOM 453 CB LYS A 29 62.583 -5.462 5.569 1.00 0.00 C ATOM 454 CG LYS A 29 62.042 -5.685 6.984 1.00 0.00 C ATOM 455 CD LYS A 29 60.701 -4.965 7.136 1.00 0.00 C ATOM 456 CE LYS A 29 60.083 -5.327 8.486 1.00 0.00 C ATOM 457 NZ LYS A 29 59.820 -6.793 8.530 1.00 0.00 N ATOM 0 H LYS A 29 64.329 -3.691 5.880 1.00 0.00 H new ATOM 0 HA LYS A 29 64.295 -6.488 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.395 -4.436 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.065 -6.112 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.918 -6.751 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.753 -5.311 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.844 -3.887 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.028 -5.250 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.756 -5.042 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.155 -4.775 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 58.812 -6.959 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.071 -7.218 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.393 -7.226 9.282 1.00 0.00 H new ATOM 471 N ILE A 30 64.775 -5.399 3.244 1.00 0.00 N ATOM 472 CA ILE A 30 65.213 -5.806 1.914 1.00 0.00 C ATOM 473 C ILE A 30 66.633 -6.359 1.995 1.00 0.00 C ATOM 474 O ILE A 30 66.951 -7.379 1.383 1.00 0.00 O ATOM 475 CB ILE A 30 65.181 -4.625 0.938 1.00 0.00 C ATOM 476 CG1 ILE A 30 63.787 -3.975 0.921 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.523 -5.124 -0.466 1.00 0.00 C ATOM 478 CD1 ILE A 30 62.695 -5.049 0.882 1.00 0.00 C ATOM 0 H ILE A 30 64.689 -4.391 3.376 1.00 0.00 H new ATOM 0 HA ILE A 30 64.532 -6.574 1.547 1.00 0.00 H new ATOM 0 HB ILE A 30 65.910 -3.882 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.660 -3.350 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 30 63.694 -3.322 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.502 -4.288 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.518 -5.568 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 30 64.793 -5.873 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.715 -4.571 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.813 -5.656 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 30 62.778 -5.685 1.763 1.00 0.00 H new ATOM 490 N GLN A 31 67.476 -5.680 2.763 1.00 0.00 N ATOM 491 CA GLN A 31 68.860 -6.104 2.937 1.00 0.00 C ATOM 492 C GLN A 31 68.931 -7.400 3.744 1.00 0.00 C ATOM 493 O GLN A 31 69.835 -8.210 3.556 1.00 0.00 O ATOM 494 CB GLN A 31 69.659 -5.008 3.648 1.00 0.00 C ATOM 495 CG GLN A 31 71.127 -5.435 3.779 1.00 0.00 C ATOM 496 CD GLN A 31 71.332 -6.283 5.033 1.00 0.00 C ATOM 497 OE1 GLN A 31 70.319 -6.544 5.815 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 72.449 -6.720 5.308 1.00 0.00 N flip ATOM 0 H GLN A 31 67.226 -4.834 3.275 1.00 0.00 H new ATOM 0 HA GLN A 31 69.290 -6.283 1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.591 -4.075 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.236 -4.820 4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 31 71.426 -6.002 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.765 -4.553 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.241 -6.517 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.583 -7.286 6.146 1.00 0.00 H new ATOM 507 N ASP A 32 67.990 -7.572 4.665 1.00 0.00 N ATOM 508 CA ASP A 32 67.973 -8.760 5.516 1.00 0.00 C ATOM 509 C ASP A 32 67.874 -10.047 4.694 1.00 0.00 C ATOM 510 O ASP A 32 68.488 -11.057 5.042 1.00 0.00 O ATOM 511 CB ASP A 32 66.794 -8.687 6.487 1.00 0.00 C ATOM 512 CG ASP A 32 66.790 -9.916 7.389 1.00 0.00 C ATOM 513 OD1 ASP A 32 67.853 -10.475 7.601 1.00 0.00 O ATOM 514 OD2 ASP A 32 65.722 -10.282 7.852 1.00 0.00 O ATOM 0 H ASP A 32 67.234 -6.911 4.842 1.00 0.00 H new ATOM 0 HA ASP A 32 68.912 -8.782 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 32 66.864 -7.782 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 32 65.857 -8.629 5.932 1.00 0.00 H new ATOM 519 N LYS A 33 67.099 -10.019 3.612 1.00 0.00 N ATOM 520 CA LYS A 33 66.941 -11.208 2.773 1.00 0.00 C ATOM 521 C LYS A 33 68.280 -11.629 2.175 1.00 0.00 C ATOM 522 O LYS A 33 68.712 -12.771 2.329 1.00 0.00 O ATOM 523 CB LYS A 33 65.946 -10.927 1.645 1.00 0.00 C ATOM 524 CG LYS A 33 64.613 -10.455 2.233 1.00 0.00 C ATOM 525 CD LYS A 33 63.849 -11.645 2.824 1.00 0.00 C ATOM 526 CE LYS A 33 62.388 -11.250 3.056 1.00 0.00 C ATOM 527 NZ LYS A 33 61.575 -12.476 3.294 1.00 0.00 N ATOM 0 H LYS A 33 66.577 -9.201 3.298 1.00 0.00 H new ATOM 0 HA LYS A 33 66.564 -12.017 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 33 66.348 -10.167 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 33 65.793 -11.828 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 64.792 -9.707 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 33 64.014 -9.976 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 33 63.903 -12.498 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 33 64.307 -11.954 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 33 62.313 -10.579 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 33 62.005 -10.708 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.582 -12.209 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 61.638 -13.101 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 61.937 -12.975 4.132 1.00 0.00 H new ATOM 541 N GLU A 34 68.933 -10.689 1.506 1.00 0.00 N ATOM 542 CA GLU A 34 70.234 -10.938 0.891 1.00 0.00 C ATOM 543 C GLU A 34 71.101 -9.707 1.083 1.00 0.00 C ATOM 544 O GLU A 34 70.635 -8.709 1.626 1.00 0.00 O ATOM 545 CB GLU A 34 70.069 -11.239 -0.600 1.00 0.00 C ATOM 546 CG GLU A 34 69.552 -12.668 -0.781 1.00 0.00 C ATOM 547 CD GLU A 34 69.487 -13.015 -2.263 1.00 0.00 C ATOM 548 OE1 GLU A 34 70.538 -13.202 -2.853 1.00 0.00 O ATOM 549 OE2 GLU A 34 68.387 -13.090 -2.787 1.00 0.00 O ATOM 0 H GLU A 34 68.582 -9.740 1.374 1.00 0.00 H new ATOM 0 HA GLU A 34 70.704 -11.802 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 69.374 -10.530 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 71.023 -11.119 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 34 70.207 -13.369 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 34 68.563 -12.765 -0.333 1.00 0.00 H new ATOM 556 N GLY A 35 72.355 -9.749 0.655 1.00 0.00 N ATOM 557 CA GLY A 35 73.194 -8.578 0.848 1.00 0.00 C ATOM 558 C GLY A 35 72.869 -7.516 -0.175 1.00 0.00 C ATOM 559 O GLY A 35 73.129 -7.660 -1.369 1.00 0.00 O ATOM 0 H GLY A 35 72.798 -10.543 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 35 73.047 -8.180 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 35 74.244 -8.859 0.767 1.00 0.00 H new ATOM 563 N ILE A 36 72.342 -6.427 0.337 1.00 0.00 N ATOM 564 CA ILE A 36 72.011 -5.277 -0.467 1.00 0.00 C ATOM 565 C ILE A 36 72.122 -4.075 0.455 1.00 0.00 C ATOM 566 O ILE A 36 71.419 -4.004 1.463 1.00 0.00 O ATOM 567 CB ILE A 36 70.586 -5.438 -1.049 1.00 0.00 C ATOM 568 CG1 ILE A 36 70.648 -5.410 -2.585 1.00 0.00 C ATOM 569 CG2 ILE A 36 69.649 -4.326 -0.564 1.00 0.00 C ATOM 570 CD1 ILE A 36 71.186 -4.058 -3.073 1.00 0.00 C ATOM 0 H ILE A 36 72.131 -6.316 1.329 1.00 0.00 H new ATOM 0 HA ILE A 36 72.679 -5.158 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 36 70.192 -6.394 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.289 -6.215 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 36 69.655 -5.584 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 36 68.658 -4.472 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 36 69.581 -4.356 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 36 70.041 -3.358 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 36 71.224 -4.053 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 36 70.529 -3.259 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.188 -3.900 -2.674 1.00 0.00 H new ATOM 582 N PRO A 37 72.981 -3.147 0.176 1.00 0.00 N ATOM 583 CA PRO A 37 73.132 -1.974 1.059 1.00 0.00 C ATOM 584 C PRO A 37 71.929 -1.027 0.956 1.00 0.00 C ATOM 585 O PRO A 37 71.522 -0.658 -0.145 1.00 0.00 O ATOM 586 CB PRO A 37 74.441 -1.317 0.602 1.00 0.00 C ATOM 587 CG PRO A 37 74.994 -2.146 -0.520 1.00 0.00 C ATOM 588 CD PRO A 37 73.893 -3.100 -0.971 1.00 0.00 C ATOM 0 HA PRO A 37 73.168 -2.248 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.261 -0.294 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 37 75.152 -1.265 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 37 75.312 -1.510 -1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.871 -2.702 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.390 -2.736 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.291 -4.087 -1.207 1.00 0.00 H new ATOM 596 N PRO A 38 71.357 -0.631 2.073 1.00 0.00 N ATOM 597 CA PRO A 38 70.184 0.287 2.078 1.00 0.00 C ATOM 598 C PRO A 38 70.497 1.604 1.367 1.00 0.00 C ATOM 599 O PRO A 38 69.629 2.198 0.727 1.00 0.00 O ATOM 600 CB PRO A 38 69.863 0.535 3.560 1.00 0.00 C ATOM 601 CG PRO A 38 70.847 -0.246 4.370 1.00 0.00 C ATOM 602 CD PRO A 38 71.766 -1.023 3.427 1.00 0.00 C ATOM 0 HA PRO A 38 69.341 -0.151 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.931 1.597 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.844 0.223 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.433 0.425 4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.325 -0.932 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.813 -0.778 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.661 -2.098 3.573 1.00 0.00 H new ATOM 610 N ASP A 39 71.742 2.057 1.495 1.00 0.00 N ATOM 611 CA ASP A 39 72.160 3.309 0.871 1.00 0.00 C ATOM 612 C ASP A 39 72.144 3.195 -0.650 1.00 0.00 C ATOM 613 O ASP A 39 71.985 4.192 -1.353 1.00 0.00 O ATOM 614 CB ASP A 39 73.569 3.684 1.338 1.00 0.00 C ATOM 615 CG ASP A 39 73.726 3.384 2.825 1.00 0.00 C ATOM 616 OD1 ASP A 39 72.728 3.076 3.454 1.00 0.00 O ATOM 617 OD2 ASP A 39 74.842 3.466 3.310 1.00 0.00 O ATOM 0 H ASP A 39 72.474 1.580 2.021 1.00 0.00 H new ATOM 0 HA ASP A 39 71.456 4.085 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.310 3.126 0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.753 4.742 1.151 1.00 0.00 H new ATOM 622 N GLN A 40 72.317 1.975 -1.154 1.00 0.00 N ATOM 623 CA GLN A 40 72.328 1.749 -2.597 1.00 0.00 C ATOM 624 C GLN A 40 71.017 1.115 -3.057 1.00 0.00 C ATOM 625 O GLN A 40 70.837 0.839 -4.244 1.00 0.00 O ATOM 626 CB GLN A 40 73.503 0.836 -2.975 1.00 0.00 C ATOM 627 CG GLN A 40 73.877 1.057 -4.445 1.00 0.00 C ATOM 628 CD GLN A 40 74.894 0.010 -4.889 1.00 0.00 C ATOM 629 OE1 GLN A 40 75.396 -0.758 -4.067 1.00 0.00 O ATOM 630 NE2 GLN A 40 75.230 -0.068 -6.148 1.00 0.00 N ATOM 0 H GLN A 40 72.450 1.135 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 40 72.441 2.713 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 40 74.360 1.047 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.233 -0.207 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.985 0.997 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 40 74.291 2.057 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 40 74.813 0.569 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 40 75.909 -0.766 -6.452 1.00 0.00 H new ATOM 639 N GLN A 41 70.097 0.887 -2.119 1.00 0.00 N ATOM 640 CA GLN A 41 68.810 0.287 -2.464 1.00 0.00 C ATOM 641 C GLN A 41 67.704 1.344 -2.456 1.00 0.00 C ATOM 642 O GLN A 41 67.527 2.062 -1.473 1.00 0.00 O ATOM 643 CB GLN A 41 68.463 -0.833 -1.471 1.00 0.00 C ATOM 644 CG GLN A 41 67.792 -2.007 -2.201 1.00 0.00 C ATOM 645 CD GLN A 41 66.773 -1.497 -3.218 1.00 0.00 C ATOM 646 OE1 GLN A 41 66.884 -1.794 -4.407 1.00 0.00 O ATOM 647 NE2 GLN A 41 65.783 -0.747 -2.821 1.00 0.00 N ATOM 0 H GLN A 41 70.216 1.105 -1.130 1.00 0.00 H new ATOM 0 HA GLN A 41 68.887 -0.134 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.368 -1.177 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.797 -0.449 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 41 68.548 -2.608 -2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.298 -2.657 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.692 -0.502 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.099 -0.406 -3.496 1.00 0.00 H new ATOM 656 N ARG A 42 66.965 1.430 -3.562 1.00 0.00 N ATOM 657 CA ARG A 42 65.870 2.394 -3.682 1.00 0.00 C ATOM 658 C ARG A 42 64.593 1.704 -4.171 1.00 0.00 C ATOM 659 O ARG A 42 64.650 0.812 -5.017 1.00 0.00 O ATOM 660 CB ARG A 42 66.267 3.519 -4.650 1.00 0.00 C ATOM 661 CG ARG A 42 67.178 2.957 -5.746 1.00 0.00 C ATOM 662 CD ARG A 42 67.490 4.049 -6.774 1.00 0.00 C ATOM 663 NE ARG A 42 68.764 3.772 -7.430 1.00 0.00 N ATOM 664 CZ ARG A 42 69.678 4.725 -7.600 1.00 0.00 C ATOM 665 NH1 ARG A 42 69.425 5.744 -8.375 1.00 0.00 N ATOM 666 NH2 ARG A 42 70.832 4.639 -6.991 1.00 0.00 N ATOM 0 H ARG A 42 67.104 0.845 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 42 65.674 2.821 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.376 3.961 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 42 66.780 4.314 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 42 68.103 2.584 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 42 66.694 2.112 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 42 66.693 4.099 -7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 42 67.529 5.021 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 42 68.958 2.828 -7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 42 68.526 5.811 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 42 70.126 6.473 -8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 42 71.031 3.842 -6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 42 71.533 5.369 -7.121 1.00 0.00 H new ATOM 680 N LEU A 43 63.442 2.126 -3.644 1.00 0.00 N ATOM 681 CA LEU A 43 62.155 1.544 -4.047 1.00 0.00 C ATOM 682 C LEU A 43 61.265 2.616 -4.676 1.00 0.00 C ATOM 683 O LEU A 43 61.505 3.811 -4.502 1.00 0.00 O ATOM 684 CB LEU A 43 61.423 0.941 -2.840 1.00 0.00 C ATOM 685 CG LEU A 43 62.405 0.248 -1.889 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.701 -0.021 -0.556 1.00 0.00 C ATOM 687 CD2 LEU A 43 62.855 -1.082 -2.497 1.00 0.00 C ATOM 0 H LEU A 43 63.372 2.863 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 43 62.359 0.757 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 43 60.888 1.726 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 43 60.678 0.224 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 43 63.274 0.887 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.392 -0.514 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 61.372 0.923 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 43 60.837 -0.664 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.553 -1.574 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 43 61.987 -1.723 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 43 63.345 -0.898 -3.453 1.00 0.00 H new ATOM 699 N ILE A 44 60.235 2.184 -5.407 1.00 0.00 N ATOM 700 CA ILE A 44 59.317 3.124 -6.056 1.00 0.00 C ATOM 701 C ILE A 44 57.863 2.690 -5.875 1.00 0.00 C ATOM 702 O ILE A 44 57.542 1.507 -5.969 1.00 0.00 O ATOM 703 CB ILE A 44 59.639 3.225 -7.548 1.00 0.00 C ATOM 704 CG1 ILE A 44 61.061 3.764 -7.728 1.00 0.00 C ATOM 705 CG2 ILE A 44 58.648 4.177 -8.221 1.00 0.00 C ATOM 706 CD1 ILE A 44 61.498 3.593 -9.183 1.00 0.00 C ATOM 0 H ILE A 44 60.017 1.200 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 44 59.447 4.099 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 44 59.562 2.237 -8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 44 61.099 4.817 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.747 3.234 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 44 58.877 4.249 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 44 57.634 3.797 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.725 5.164 -7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.510 3.978 -9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 44 61.477 2.536 -9.447 1.00 0.00 H new ATOM 0 HD13 ILE A 44 60.819 4.143 -9.834 1.00 0.00 H new ATOM 718 N PHE A 45 56.987 3.663 -5.625 1.00 0.00 N ATOM 719 CA PHE A 45 55.562 3.382 -5.440 1.00 0.00 C ATOM 720 C PHE A 45 54.718 4.390 -6.218 1.00 0.00 C ATOM 721 O PHE A 45 54.794 5.594 -5.974 1.00 0.00 O ATOM 722 CB PHE A 45 55.204 3.449 -3.952 1.00 0.00 C ATOM 723 CG PHE A 45 53.706 3.352 -3.788 1.00 0.00 C ATOM 724 CD1 PHE A 45 53.064 2.116 -3.936 1.00 0.00 C ATOM 725 CD2 PHE A 45 52.958 4.495 -3.485 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.675 2.025 -3.780 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.570 4.406 -3.330 1.00 0.00 C ATOM 728 CZ PHE A 45 50.928 3.170 -3.477 1.00 0.00 C ATOM 0 H PHE A 45 57.237 4.649 -5.546 1.00 0.00 H new ATOM 0 HA PHE A 45 55.353 2.380 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.693 2.637 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.568 4.382 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.640 1.233 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.453 5.448 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 45 51.180 1.072 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 45 50.994 5.290 -3.097 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.857 3.100 -3.357 1.00 0.00 H new ATOM 738 N ALA A 46 53.919 3.891 -7.158 1.00 0.00 N ATOM 739 CA ALA A 46 53.069 4.760 -7.969 1.00 0.00 C ATOM 740 C ALA A 46 53.900 5.863 -8.612 1.00 0.00 C ATOM 741 O ALA A 46 53.438 6.993 -8.768 1.00 0.00 O ATOM 742 CB ALA A 46 51.973 5.384 -7.101 1.00 0.00 C ATOM 0 H ALA A 46 53.842 2.898 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 46 52.608 4.159 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.346 6.030 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.362 4.595 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.430 5.973 -6.306 1.00 0.00 H new ATOM 748 N GLY A 47 55.130 5.526 -8.985 1.00 0.00 N ATOM 749 CA GLY A 47 56.023 6.493 -9.612 1.00 0.00 C ATOM 750 C GLY A 47 56.779 7.303 -8.563 1.00 0.00 C ATOM 751 O GLY A 47 57.814 7.899 -8.856 1.00 0.00 O ATOM 0 H GLY A 47 55.530 4.595 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.733 5.973 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 47 55.447 7.164 -10.249 1.00 0.00 H new ATOM 755 N LYS A 48 56.255 7.322 -7.340 1.00 0.00 N ATOM 756 CA LYS A 48 56.894 8.068 -6.260 1.00 0.00 C ATOM 757 C LYS A 48 58.026 7.250 -5.646 1.00 0.00 C ATOM 758 O LYS A 48 57.797 6.181 -5.079 1.00 0.00 O ATOM 759 CB LYS A 48 55.854 8.426 -5.185 1.00 0.00 C ATOM 760 CG LYS A 48 56.027 9.890 -4.760 1.00 0.00 C ATOM 761 CD LYS A 48 54.976 10.252 -3.700 1.00 0.00 C ATOM 762 CE LYS A 48 53.664 10.647 -4.385 1.00 0.00 C ATOM 763 NZ LYS A 48 52.655 11.028 -3.355 1.00 0.00 N ATOM 0 H LYS A 48 55.399 6.835 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 48 57.314 8.987 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 48 54.848 8.267 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.970 7.771 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 57.029 10.046 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 48 55.924 10.544 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 48 54.809 9.404 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.337 11.075 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 48 53.835 11.480 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 48 53.291 9.816 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 51.765 11.296 -3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 52.484 10.221 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 53.011 11.833 -2.802 1.00 0.00 H new ATOM 777 N GLN A 49 59.246 7.760 -5.763 1.00 0.00 N ATOM 778 CA GLN A 49 60.404 7.067 -5.214 1.00 0.00 C ATOM 779 C GLN A 49 60.394 7.136 -3.691 1.00 0.00 C ATOM 780 O GLN A 49 60.291 8.217 -3.111 1.00 0.00 O ATOM 781 CB GLN A 49 61.696 7.694 -5.750 1.00 0.00 C ATOM 782 CG GLN A 49 61.803 9.141 -5.268 1.00 0.00 C ATOM 783 CD GLN A 49 62.862 9.884 -6.074 1.00 0.00 C ATOM 784 OE1 GLN A 49 63.337 9.382 -7.093 1.00 0.00 O ATOM 785 NE2 GLN A 49 63.263 11.059 -5.673 1.00 0.00 N ATOM 0 H GLN A 49 59.458 8.642 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 49 60.357 6.022 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 49 62.559 7.122 -5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 49 61.703 7.662 -6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.839 9.639 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 49 62.060 9.162 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 49 62.867 11.472 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 49 63.972 11.565 -6.204 1.00 0.00 H new ATOM 794 N LEU A 50 60.516 5.981 -3.045 1.00 0.00 N ATOM 795 CA LEU A 50 60.534 5.943 -1.589 1.00 0.00 C ATOM 796 C LEU A 50 61.919 6.405 -1.112 1.00 0.00 C ATOM 797 O LEU A 50 62.949 5.965 -1.622 1.00 0.00 O ATOM 798 CB LEU A 50 60.180 4.528 -1.104 1.00 0.00 C ATOM 799 CG LEU A 50 58.743 4.167 -1.529 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.339 2.846 -0.870 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.763 5.265 -1.102 1.00 0.00 C ATOM 0 H LEU A 50 60.603 5.072 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 50 59.788 6.615 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.883 3.806 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.271 4.473 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 50 58.711 4.070 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.323 2.587 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 50 59.022 2.058 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.384 2.952 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.754 4.992 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.793 5.378 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 50 58.044 6.207 -1.573 1.00 0.00 H new ATOM 813 N GLU A 51 61.906 7.383 -0.207 1.00 0.00 N ATOM 814 CA GLU A 51 63.127 8.043 0.280 1.00 0.00 C ATOM 815 C GLU A 51 63.919 7.318 1.391 1.00 0.00 C ATOM 816 O GLU A 51 63.702 6.159 1.731 1.00 0.00 O ATOM 817 CB GLU A 51 62.756 9.459 0.760 1.00 0.00 C ATOM 818 CG GLU A 51 63.254 10.504 -0.247 1.00 0.00 C ATOM 819 CD GLU A 51 62.586 10.284 -1.600 1.00 0.00 C ATOM 820 OE1 GLU A 51 61.563 9.619 -1.633 1.00 0.00 O ATOM 821 OE2 GLU A 51 63.105 10.783 -2.585 1.00 0.00 O ATOM 0 H GLU A 51 61.049 7.744 0.213 1.00 0.00 H new ATOM 0 HA GLU A 51 63.807 8.041 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 51 61.675 9.541 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.197 9.647 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 51 63.033 11.507 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 51 64.337 10.434 -0.351 1.00 0.00 H new ATOM 828 N ASP A 52 64.869 8.095 1.903 1.00 0.00 N ATOM 829 CA ASP A 52 65.821 7.739 2.962 1.00 0.00 C ATOM 830 C ASP A 52 65.202 7.098 4.199 1.00 0.00 C ATOM 831 O ASP A 52 65.893 6.938 5.206 1.00 0.00 O ATOM 832 CB ASP A 52 66.582 8.988 3.404 1.00 0.00 C ATOM 833 CG ASP A 52 67.644 9.350 2.372 1.00 0.00 C ATOM 834 OD1 ASP A 52 67.312 10.049 1.430 1.00 0.00 O ATOM 835 OD2 ASP A 52 68.771 8.916 2.538 1.00 0.00 O ATOM 0 H ASP A 52 65.007 9.050 1.572 1.00 0.00 H new ATOM 0 HA ASP A 52 66.474 6.988 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 52 65.889 9.820 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.050 8.814 4.373 1.00 0.00 H new ATOM 840 N GLY A 53 63.919 6.804 4.180 1.00 0.00 N ATOM 841 CA GLY A 53 63.276 6.276 5.377 1.00 0.00 C ATOM 842 C GLY A 53 62.184 7.195 5.886 1.00 0.00 C ATOM 843 O GLY A 53 61.988 7.365 7.089 1.00 0.00 O ATOM 0 H GLY A 53 63.307 6.916 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 53 62.853 5.296 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 64.023 6.134 6.158 1.00 0.00 H new ATOM 847 N ARG A 54 61.390 7.673 4.929 1.00 0.00 N ATOM 848 CA ARG A 54 60.209 8.448 5.245 1.00 0.00 C ATOM 849 C ARG A 54 59.177 7.398 5.574 1.00 0.00 C ATOM 850 O ARG A 54 59.356 6.246 5.182 1.00 0.00 O ATOM 851 CB ARG A 54 59.729 9.262 4.031 1.00 0.00 C ATOM 852 CG ARG A 54 60.655 10.464 3.814 1.00 0.00 C ATOM 853 CD ARG A 54 59.910 11.558 3.049 1.00 0.00 C ATOM 854 NE ARG A 54 58.813 12.076 3.858 1.00 0.00 N ATOM 855 CZ ARG A 54 57.946 12.954 3.363 1.00 0.00 C ATOM 856 NH1 ARG A 54 56.892 12.536 2.720 1.00 0.00 N ATOM 857 NH2 ARG A 54 58.150 14.233 3.520 1.00 0.00 N ATOM 0 H ARG A 54 61.550 7.533 3.931 1.00 0.00 H new ATOM 0 HA ARG A 54 60.392 9.162 6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 54 59.719 8.633 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.706 9.603 4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 54 60.999 10.848 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 54 61.541 10.157 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 54 60.596 12.365 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 54 59.524 11.158 2.111 1.00 0.00 H new ATOM 0 HE ARG A 54 58.709 11.759 4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 54 56.733 11.536 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 54 56.226 13.209 2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 54 58.975 14.560 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 54 57.484 14.906 3.140 1.00 0.00 H new ATOM 871 N THR A 55 58.117 7.714 6.292 1.00 0.00 N ATOM 872 CA THR A 55 57.185 6.644 6.593 1.00 0.00 C ATOM 873 C THR A 55 56.294 6.373 5.387 1.00 0.00 C ATOM 874 O THR A 55 55.861 7.289 4.694 1.00 0.00 O ATOM 875 CB THR A 55 56.361 7.040 7.826 1.00 0.00 C ATOM 876 OG1 THR A 55 56.794 6.278 8.943 1.00 0.00 O ATOM 877 CG2 THR A 55 54.872 6.789 7.599 1.00 0.00 C ATOM 0 H THR A 55 57.887 8.638 6.657 1.00 0.00 H new ATOM 0 HA THR A 55 57.725 5.723 6.813 1.00 0.00 H new ATOM 0 HB THR A 55 56.509 8.104 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 55 56.271 6.529 9.733 1.00 0.00 H new ATOM 0 HG21 THR A 55 54.314 7.079 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.529 7.378 6.748 1.00 0.00 H new ATOM 0 HG23 THR A 55 54.708 5.730 7.397 1.00 0.00 H new ATOM 885 N LEU A 56 56.024 5.091 5.167 1.00 0.00 N ATOM 886 CA LEU A 56 55.182 4.644 4.066 1.00 0.00 C ATOM 887 C LEU A 56 53.704 4.921 4.328 1.00 0.00 C ATOM 888 O LEU A 56 52.933 5.154 3.398 1.00 0.00 O ATOM 889 CB LEU A 56 55.398 3.157 3.808 1.00 0.00 C ATOM 890 CG LEU A 56 56.386 2.924 2.636 1.00 0.00 C ATOM 891 CD1 LEU A 56 55.945 3.673 1.371 1.00 0.00 C ATOM 892 CD2 LEU A 56 57.783 3.400 3.031 1.00 0.00 C ATOM 0 H LEU A 56 56.383 4.333 5.748 1.00 0.00 H new ATOM 0 HA LEU A 56 55.472 5.212 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.783 2.682 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.443 2.683 3.581 1.00 0.00 H new ATOM 0 HG LEU A 56 56.397 1.855 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 56 56.661 3.487 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 56 54.959 3.322 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 56 55.902 4.742 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.472 3.233 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 56 57.751 4.463 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.124 2.843 3.904 1.00 0.00 H new ATOM 904 N SER A 57 53.300 4.863 5.588 1.00 0.00 N ATOM 905 CA SER A 57 51.904 5.082 5.912 1.00 0.00 C ATOM 906 C SER A 57 51.489 6.412 5.336 1.00 0.00 C ATOM 907 O SER A 57 50.347 6.598 4.918 1.00 0.00 O ATOM 908 CB SER A 57 51.690 5.091 7.428 1.00 0.00 C ATOM 909 OG SER A 57 50.436 5.697 7.719 1.00 0.00 O ATOM 0 H SER A 57 53.906 4.670 6.386 1.00 0.00 H new ATOM 0 HA SER A 57 51.304 4.275 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.715 4.073 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.495 5.639 7.918 1.00 0.00 H new ATOM 0 HG SER A 57 50.293 5.704 8.689 1.00 0.00 H new ATOM 915 N ASP A 58 52.452 7.327 5.268 1.00 0.00 N ATOM 916 CA ASP A 58 52.210 8.633 4.678 1.00 0.00 C ATOM 917 C ASP A 58 52.081 8.463 3.167 1.00 0.00 C ATOM 918 O ASP A 58 51.368 9.212 2.499 1.00 0.00 O ATOM 919 CB ASP A 58 53.363 9.586 5.005 1.00 0.00 C ATOM 920 CG ASP A 58 52.935 11.029 4.758 1.00 0.00 C ATOM 921 OD1 ASP A 58 52.727 11.377 3.607 1.00 0.00 O ATOM 922 OD2 ASP A 58 52.825 11.768 5.724 1.00 0.00 O ATOM 0 H ASP A 58 53.401 7.186 5.613 1.00 0.00 H new ATOM 0 HA ASP A 58 51.293 9.059 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.665 9.461 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 58 54.230 9.345 4.390 1.00 0.00 H new ATOM 927 N TYR A 59 52.771 7.444 2.651 1.00 0.00 N ATOM 928 CA TYR A 59 52.732 7.131 1.226 1.00 0.00 C ATOM 929 C TYR A 59 51.450 6.371 0.928 1.00 0.00 C ATOM 930 O TYR A 59 51.123 6.096 -0.226 1.00 0.00 O ATOM 931 CB TYR A 59 53.929 6.263 0.855 1.00 0.00 C ATOM 932 CG TYR A 59 55.103 7.127 0.543 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.833 7.687 1.584 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.456 7.367 -0.783 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.936 8.502 1.304 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.559 8.182 -1.071 1.00 0.00 C ATOM 937 CZ TYR A 59 57.299 8.750 -0.025 1.00 0.00 C ATOM 938 OH TYR A 59 58.386 9.555 -0.307 1.00 0.00 O ATOM 0 H TYR A 59 53.363 6.822 3.202 1.00 0.00 H new ATOM 0 HA TYR A 59 52.766 8.054 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.170 5.590 1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.685 5.640 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 59 55.550 7.494 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 59 54.882 6.927 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.506 8.938 2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 59 56.838 8.372 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 59 58.500 9.622 -1.278 1.00 0.00 H new ATOM 948 N ASN A 60 50.727 6.040 1.993 1.00 0.00 N ATOM 949 CA ASN A 60 49.474 5.314 1.862 1.00 0.00 C ATOM 950 C ASN A 60 49.712 3.919 1.293 1.00 0.00 C ATOM 951 O ASN A 60 48.985 3.482 0.401 1.00 0.00 O ATOM 952 CB ASN A 60 48.523 6.089 0.944 1.00 0.00 C ATOM 953 CG ASN A 60 47.072 5.779 1.303 1.00 0.00 C ATOM 954 OD1 ASN A 60 46.302 6.688 1.617 1.00 0.00 O ATOM 955 ND2 ASN A 60 46.650 4.546 1.272 1.00 0.00 N ATOM 0 H ASN A 60 50.989 6.263 2.953 1.00 0.00 H new ATOM 0 HA ASN A 60 49.028 5.212 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.707 7.159 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 60 48.713 5.823 -0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 60 45.681 4.333 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 60 47.289 3.795 1.012 1.00 0.00 H new ATOM 962 N ILE A 61 50.727 3.215 1.796 1.00 0.00 N ATOM 963 CA ILE A 61 50.998 1.880 1.283 1.00 0.00 C ATOM 964 C ILE A 61 49.834 0.952 1.596 1.00 0.00 C ATOM 965 O ILE A 61 49.232 1.001 2.669 1.00 0.00 O ATOM 966 CB ILE A 61 52.290 1.295 1.830 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.459 2.094 1.276 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.427 -0.172 1.400 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.534 1.978 -0.253 1.00 0.00 C ATOM 0 H ILE A 61 51.354 3.536 2.534 1.00 0.00 H new ATOM 0 HA ILE A 61 51.117 1.971 0.203 1.00 0.00 H new ATOM 0 HB ILE A 61 52.281 1.344 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.354 3.141 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.389 1.736 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 61 53.356 -0.582 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.583 -0.744 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.439 -0.233 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.379 2.559 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.664 0.932 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.612 2.360 -0.692 1.00 0.00 H new ATOM 981 N GLN A 62 49.505 0.154 0.593 1.00 0.00 N ATOM 982 CA GLN A 62 48.380 -0.765 0.646 1.00 0.00 C ATOM 983 C GLN A 62 48.775 -2.218 0.890 1.00 0.00 C ATOM 984 O GLN A 62 49.931 -2.562 1.132 1.00 0.00 O ATOM 985 CB GLN A 62 47.592 -0.680 -0.663 1.00 0.00 C ATOM 986 CG GLN A 62 48.526 -0.951 -1.845 1.00 0.00 C ATOM 987 CD GLN A 62 47.708 -1.261 -3.095 1.00 0.00 C ATOM 988 OE1 GLN A 62 47.177 -0.350 -3.731 1.00 0.00 O ATOM 989 NE2 GLN A 62 47.574 -2.498 -3.486 1.00 0.00 N ATOM 0 H GLN A 62 50.016 0.126 -0.289 1.00 0.00 H new ATOM 0 HA GLN A 62 47.776 -0.456 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 62 46.778 -1.405 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 62 47.140 0.307 -0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 62 49.163 -0.084 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 62 49.185 -1.788 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 62 48.015 -3.251 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 62 47.028 -2.713 -4.321 1.00 0.00 H new ATOM 998 N LYS A 63 47.730 -3.026 0.810 1.00 0.00 N ATOM 999 CA LYS A 63 47.727 -4.478 0.981 1.00 0.00 C ATOM 1000 C LYS A 63 48.893 -5.220 0.317 1.00 0.00 C ATOM 1001 O LYS A 63 48.712 -6.355 -0.114 1.00 0.00 O ATOM 1002 CB LYS A 63 46.402 -5.042 0.475 1.00 0.00 C ATOM 1003 CG LYS A 63 45.291 -4.659 1.462 1.00 0.00 C ATOM 1004 CD LYS A 63 43.929 -4.666 0.761 1.00 0.00 C ATOM 1005 CE LYS A 63 42.934 -3.843 1.582 1.00 0.00 C ATOM 1006 NZ LYS A 63 41.555 -4.081 1.073 1.00 0.00 N ATOM 0 H LYS A 63 46.797 -2.665 0.611 1.00 0.00 H new ATOM 0 HA LYS A 63 47.855 -4.647 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 63 46.178 -4.648 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.465 -6.126 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.281 -5.359 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 63 45.489 -3.671 1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.021 -4.251 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 43.569 -5.689 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 63 42.998 -4.120 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 63 43.180 -2.783 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 40.878 -3.522 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 41.500 -3.796 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.323 -5.091 1.158 1.00 0.00 H new ATOM 1020 N GLU A 64 50.060 -4.585 0.199 1.00 0.00 N ATOM 1021 CA GLU A 64 51.220 -5.210 -0.460 1.00 0.00 C ATOM 1022 C GLU A 64 51.300 -4.909 -1.948 1.00 0.00 C ATOM 1023 O GLU A 64 51.456 -5.798 -2.784 1.00 0.00 O ATOM 1024 CB GLU A 64 51.190 -6.736 -0.293 1.00 0.00 C ATOM 1025 CG GLU A 64 51.045 -7.117 1.184 1.00 0.00 C ATOM 1026 CD GLU A 64 50.253 -8.413 1.316 1.00 0.00 C ATOM 1027 OE1 GLU A 64 50.501 -9.318 0.535 1.00 0.00 O ATOM 1028 OE2 GLU A 64 49.411 -8.484 2.196 1.00 0.00 O ATOM 0 H GLU A 64 50.232 -3.642 0.548 1.00 0.00 H new ATOM 0 HA GLU A 64 52.094 -4.780 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 64 50.361 -7.153 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 52.105 -7.169 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 64 52.030 -7.236 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 64 50.541 -6.317 1.726 1.00 0.00 H new ATOM 1035 N SER A 65 51.254 -3.617 -2.241 1.00 0.00 N ATOM 1036 CA SER A 65 51.391 -3.125 -3.600 1.00 0.00 C ATOM 1037 C SER A 65 52.782 -3.466 -4.135 1.00 0.00 C ATOM 1038 O SER A 65 53.732 -3.606 -3.363 1.00 0.00 O ATOM 1039 CB SER A 65 51.227 -1.612 -3.605 1.00 0.00 C ATOM 1040 OG SER A 65 51.635 -1.091 -2.346 1.00 0.00 O ATOM 0 H SER A 65 51.121 -2.884 -1.544 1.00 0.00 H new ATOM 0 HA SER A 65 50.630 -3.590 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 65 51.824 -1.173 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.188 -1.348 -3.801 1.00 0.00 H new ATOM 0 HG SER A 65 51.750 -0.120 -2.416 1.00 0.00 H new ATOM 1046 N THR A 66 52.902 -3.591 -5.451 1.00 0.00 N ATOM 1047 CA THR A 66 54.191 -3.908 -6.058 1.00 0.00 C ATOM 1048 C THR A 66 55.006 -2.638 -6.306 1.00 0.00 C ATOM 1049 O THR A 66 54.532 -1.698 -6.945 1.00 0.00 O ATOM 1050 CB THR A 66 53.981 -4.639 -7.385 1.00 0.00 C ATOM 1051 OG1 THR A 66 55.242 -4.880 -7.994 1.00 0.00 O ATOM 1052 CG2 THR A 66 53.119 -3.786 -8.317 1.00 0.00 C ATOM 0 H THR A 66 52.134 -3.480 -6.112 1.00 0.00 H new ATOM 0 HA THR A 66 54.739 -4.549 -5.367 1.00 0.00 H new ATOM 0 HB THR A 66 53.476 -5.587 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 66 55.110 -5.350 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 66 52.973 -4.312 -9.260 1.00 0.00 H new ATOM 0 HG22 THR A 66 52.151 -3.602 -7.851 1.00 0.00 H new ATOM 0 HG23 THR A 66 53.618 -2.835 -8.505 1.00 0.00 H new ATOM 1060 N LEU A 67 56.242 -2.622 -5.803 1.00 0.00 N ATOM 1061 CA LEU A 67 57.126 -1.469 -5.986 1.00 0.00 C ATOM 1062 C LEU A 67 58.096 -1.737 -7.133 1.00 0.00 C ATOM 1063 O LEU A 67 58.605 -2.848 -7.277 1.00 0.00 O ATOM 1064 CB LEU A 67 57.912 -1.188 -4.696 1.00 0.00 C ATOM 1065 CG LEU A 67 56.963 -1.229 -3.495 1.00 0.00 C ATOM 1066 CD1 LEU A 67 57.690 -0.718 -2.250 1.00 0.00 C ATOM 1067 CD2 LEU A 67 55.742 -0.345 -3.769 1.00 0.00 C ATOM 0 H LEU A 67 56.652 -3.389 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 67 56.518 -0.596 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.703 -1.928 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.394 -0.212 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 67 56.637 -2.256 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 67 57.014 -0.748 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 67 58.556 -1.349 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 67 58.020 0.308 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 67 55.070 -0.377 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 67 56.067 0.682 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 55.220 -0.710 -4.654 1.00 0.00 H new ATOM 1079 N HIS A 68 58.337 -0.720 -7.956 1.00 0.00 N ATOM 1080 CA HIS A 68 59.238 -0.869 -9.098 1.00 0.00 C ATOM 1081 C HIS A 68 60.681 -0.563 -8.707 1.00 0.00 C ATOM 1082 O HIS A 68 60.950 0.391 -7.977 1.00 0.00 O ATOM 1083 CB HIS A 68 58.802 0.066 -10.228 1.00 0.00 C ATOM 1084 CG HIS A 68 57.347 -0.164 -10.526 1.00 0.00 C ATOM 1085 ND1 HIS A 68 56.926 -0.993 -11.553 1.00 0.00 N ATOM 1086 CD2 HIS A 68 56.204 0.315 -9.937 1.00 0.00 C ATOM 1087 CE1 HIS A 68 55.581 -0.990 -11.551 1.00 0.00 C ATOM 1088 NE2 HIS A 68 55.088 -0.208 -10.586 1.00 0.00 N ATOM 0 H HIS A 68 57.926 0.208 -7.856 1.00 0.00 H new ATOM 0 HA HIS A 68 59.188 -1.904 -9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 68 58.967 1.104 -9.941 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.402 -0.117 -11.120 1.00 0.00 H new ATOM 0 HD2 HIS A 68 56.174 0.994 -9.098 1.00 0.00 H new ATOM 0 HE1 HIS A 68 54.973 -1.551 -12.245 1.00 0.00 H new ATOM 0 HE2 HIS A 68 54.107 -0.032 -10.371 1.00 0.00 H new ATOM 1096 N LEU A 69 61.605 -1.382 -9.203 1.00 0.00 N ATOM 1097 CA LEU A 69 63.023 -1.200 -8.908 1.00 0.00 C ATOM 1098 C LEU A 69 63.779 -0.811 -10.175 1.00 0.00 C ATOM 1099 O LEU A 69 63.329 -1.086 -11.287 1.00 0.00 O ATOM 1100 CB LEU A 69 63.606 -2.500 -8.336 1.00 0.00 C ATOM 1101 CG LEU A 69 63.533 -2.475 -6.804 1.00 0.00 C ATOM 1102 CD1 LEU A 69 63.531 -3.907 -6.265 1.00 0.00 C ATOM 1103 CD2 LEU A 69 64.749 -1.730 -6.246 1.00 0.00 C ATOM 0 H LEU A 69 61.398 -2.176 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 69 63.130 -0.402 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.053 -3.357 -8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.641 -2.617 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 69 62.618 -1.968 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 69 63.479 -3.886 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 62.668 -4.443 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.445 -4.414 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.697 -1.712 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.662 -2.238 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.755 -0.708 -6.626 1.00 0.00 H new ATOM 1115 N VAL A 70 64.933 -0.171 -9.998 1.00 0.00 N ATOM 1116 CA VAL A 70 65.744 0.249 -11.136 1.00 0.00 C ATOM 1117 C VAL A 70 67.227 0.105 -10.815 1.00 0.00 C ATOM 1118 O VAL A 70 67.639 0.228 -9.663 1.00 0.00 O ATOM 1119 CB VAL A 70 65.431 1.705 -11.485 1.00 0.00 C ATOM 1120 CG1 VAL A 70 63.978 1.819 -11.944 1.00 0.00 C ATOM 1121 CG2 VAL A 70 65.640 2.580 -10.246 1.00 0.00 C ATOM 0 H VAL A 70 65.324 0.066 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 70 65.506 -0.388 -11.988 1.00 0.00 H new ATOM 0 HB VAL A 70 66.093 2.037 -12.285 1.00 0.00 H new ATOM 0 HG11 VAL A 70 63.755 2.857 -12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 70 63.824 1.194 -12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 70 63.317 1.488 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.418 3.618 -10.492 1.00 0.00 H new ATOM 0 HG22 VAL A 70 64.976 2.246 -9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.675 2.500 -9.914 1.00 0.00 H new ATOM 1131 N LEU A 71 68.025 -0.159 -11.846 1.00 0.00 N ATOM 1132 CA LEU A 71 69.464 -0.322 -11.669 1.00 0.00 C ATOM 1133 C LEU A 71 70.213 0.206 -12.889 1.00 0.00 C ATOM 1134 O LEU A 71 71.181 0.955 -12.757 1.00 0.00 O ATOM 1135 CB LEU A 71 69.808 -1.804 -11.443 1.00 0.00 C ATOM 1136 CG LEU A 71 68.831 -2.706 -12.226 1.00 0.00 C ATOM 1137 CD1 LEU A 71 69.589 -3.905 -12.805 1.00 0.00 C ATOM 1138 CD2 LEU A 71 67.729 -3.221 -11.289 1.00 0.00 C ATOM 0 H LEU A 71 67.701 -0.264 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 71 69.771 0.250 -10.794 1.00 0.00 H new ATOM 0 HB2 LEU A 71 70.831 -2.000 -11.764 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.757 -2.038 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 71 68.384 -2.125 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.897 -4.541 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.371 -3.551 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 71 70.039 -4.478 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 71 67.043 -3.857 -11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 71 68.179 -3.796 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 71 67.181 -2.376 -10.872 1.00 0.00 H new ATOM 1150 N ARG A 72 69.756 -0.183 -14.076 1.00 0.00 N ATOM 1151 CA ARG A 72 70.391 0.266 -15.313 1.00 0.00 C ATOM 1152 C ARG A 72 69.754 1.565 -15.794 1.00 0.00 C ATOM 1153 O ARG A 72 68.572 1.747 -15.554 1.00 0.00 O ATOM 1154 CB ARG A 72 70.247 -0.804 -16.399 1.00 0.00 C ATOM 1155 CG ARG A 72 71.222 -0.500 -17.546 1.00 0.00 C ATOM 1156 CD ARG A 72 70.800 -1.246 -18.820 1.00 0.00 C ATOM 1157 NE ARG A 72 71.431 -2.562 -18.871 1.00 0.00 N ATOM 1158 CZ ARG A 72 70.832 -3.640 -18.368 1.00 0.00 C ATOM 1159 NH1 ARG A 72 69.533 -3.670 -18.242 1.00 0.00 N ATOM 1160 NH2 ARG A 72 71.546 -4.669 -18.002 1.00 0.00 N ATOM 1161 OXT ARG A 72 70.458 2.358 -16.399 1.00 0.00 O ATOM 0 H ARG A 72 68.956 -0.802 -14.208 1.00 0.00 H new ATOM 0 HA ARG A 72 71.449 0.438 -15.114 1.00 0.00 H new ATOM 0 HB2 ARG A 72 70.453 -1.790 -15.983 1.00 0.00 H new ATOM 0 HB3 ARG A 72 69.223 -0.823 -16.773 1.00 0.00 H new ATOM 0 HG2 ARG A 72 71.246 0.573 -17.736 1.00 0.00 H new ATOM 0 HG3 ARG A 72 72.232 -0.796 -17.261 1.00 0.00 H new ATOM 0 HD2 ARG A 72 69.716 -1.354 -18.844 1.00 0.00 H new ATOM 0 HD3 ARG A 72 71.082 -0.666 -19.699 1.00 0.00 H new ATOM 0 HE ARG A 72 72.351 -2.658 -19.301 1.00 0.00 H new ATOM 0 HH11 ARG A 72 68.974 -2.867 -18.529 1.00 0.00 H new ATOM 0 HH12 ARG A 72 69.077 -4.497 -17.856 1.00 0.00 H new ATOM 0 HH21 ARG A 72 72.561 -4.647 -18.101 1.00 0.00 H new ATOM 0 HH22 ARG A 72 71.089 -5.496 -17.617 1.00 0.00 H new TER 1175 ARG A 72