USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 52:sc= 0.0207 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.92 F(o=-4.2!,f=-1.9) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.31 USER MOD Single : A 24 MET CE :methyl -151:sc= -0.869 (180deg=-3.54!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0658) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.34! C(o=-7.3!,f=-7.8!) USER MOD Single : A 33 MET CE :methyl 161:sc= -11.3! (180deg=-12.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -75:sc= -5.66! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 56 CYS SG : rot 60:sc= -14.1! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 144:sc= -0.0259 (180deg=-1.09) USER MOD Single : A 61 HIS : no HE2:sc= -9.38! C(o=-9.4!,f=-16!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.964! USER MOD Single : A 75 TYR OH : rot -178:sc= -10.9! USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 1.08 (180deg=0.554) USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.882 4.070 1.497 1.00 0.00 N ATOM 66 CA PHE A 5 -9.863 3.902 2.570 1.00 0.00 C ATOM 67 C PHE A 5 -10.556 3.597 3.897 1.00 0.00 C ATOM 68 O PHE A 5 -9.965 3.705 4.952 1.00 0.00 O ATOM 69 CB PHE A 5 -9.043 5.184 2.702 1.00 0.00 C ATOM 70 CG PHE A 5 -7.840 5.112 1.792 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.834 4.250 0.691 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.726 5.911 2.045 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.714 4.194 -0.148 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.617 5.853 1.193 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.606 4.999 0.104 1.00 0.00 C ATOM 0 HA PHE A 5 -9.202 3.075 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.656 6.048 2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.723 5.318 3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.693 3.628 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.719 6.574 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.710 3.523 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.761 6.482 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.744 4.957 -0.546 1.00 0.00 H new ATOM 85 N SER A 6 -11.805 3.216 3.853 1.00 0.00 N ATOM 86 CA SER A 6 -12.530 2.897 5.116 1.00 0.00 C ATOM 87 C SER A 6 -11.645 2.003 5.985 1.00 0.00 C ATOM 88 O SER A 6 -10.584 1.581 5.572 1.00 0.00 O ATOM 89 CB SER A 6 -13.832 2.164 4.787 1.00 0.00 C ATOM 90 OG SER A 6 -14.713 3.052 4.112 1.00 0.00 O ATOM 0 H SER A 6 -12.353 3.112 2.999 1.00 0.00 H new ATOM 0 HA SER A 6 -12.762 3.818 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.626 1.294 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.297 1.797 5.702 1.00 0.00 H new ATOM 0 HG SER A 6 -15.548 2.585 3.898 1.00 0.00 H new ATOM 96 N SER A 7 -12.065 1.703 7.182 1.00 0.00 N ATOM 97 CA SER A 7 -11.228 0.840 8.062 1.00 0.00 C ATOM 98 C SER A 7 -10.750 -0.377 7.261 1.00 0.00 C ATOM 99 O SER A 7 -11.515 -1.287 7.008 1.00 0.00 O ATOM 100 CB SER A 7 -12.063 0.368 9.253 1.00 0.00 C ATOM 101 OG SER A 7 -13.409 0.179 8.836 1.00 0.00 O ATOM 0 H SER A 7 -12.947 2.016 7.588 1.00 0.00 H new ATOM 0 HA SER A 7 -10.368 1.405 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.659 -0.563 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.019 1.103 10.057 1.00 0.00 H new ATOM 0 HG SER A 7 -13.427 -0.390 8.038 1.00 0.00 H new ATOM 107 N PRO A 8 -9.496 -0.351 6.875 1.00 0.00 N ATOM 108 CA PRO A 8 -8.885 -1.436 6.085 1.00 0.00 C ATOM 109 C PRO A 8 -8.607 -2.649 6.975 1.00 0.00 C ATOM 110 O PRO A 8 -8.656 -2.566 8.186 1.00 0.00 O ATOM 111 CB PRO A 8 -7.587 -0.818 5.560 1.00 0.00 C ATOM 112 CG PRO A 8 -7.247 0.352 6.512 1.00 0.00 C ATOM 113 CD PRO A 8 -8.564 0.751 7.203 1.00 0.00 C ATOM 0 HA PRO A 8 -9.525 -1.797 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.783 -1.554 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.711 -0.463 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.500 0.050 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.829 1.193 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.433 0.854 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.933 1.708 6.834 1.00 0.00 H new ATOM 121 N ASP A 9 -8.313 -3.772 6.384 1.00 0.00 N ATOM 122 CA ASP A 9 -8.029 -4.986 7.198 1.00 0.00 C ATOM 123 C ASP A 9 -6.609 -4.897 7.760 1.00 0.00 C ATOM 124 O ASP A 9 -6.278 -5.529 8.743 1.00 0.00 O ATOM 125 CB ASP A 9 -8.149 -6.230 6.315 1.00 0.00 C ATOM 126 CG ASP A 9 -9.564 -6.313 5.739 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.262 -5.314 5.787 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.925 -7.375 5.258 1.00 0.00 O ATOM 0 H ASP A 9 -8.257 -3.902 5.374 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.744 -5.052 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.418 -6.187 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.929 -7.125 6.897 1.00 0.00 H new ATOM 133 N HIS A 10 -5.766 -4.122 7.135 1.00 0.00 N ATOM 134 CA HIS A 10 -4.365 -3.995 7.620 1.00 0.00 C ATOM 135 C HIS A 10 -3.848 -2.587 7.323 1.00 0.00 C ATOM 136 O HIS A 10 -4.527 -1.794 6.712 1.00 0.00 O ATOM 137 CB HIS A 10 -3.502 -5.014 6.881 1.00 0.00 C ATOM 138 CG HIS A 10 -3.667 -6.365 7.518 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.733 -7.226 7.567 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.645 -6.987 8.218 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.383 -8.366 8.285 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.114 -8.170 8.655 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.989 -3.570 6.307 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.324 -4.175 8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.791 -5.057 5.831 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.455 -4.711 6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.653 -6.594 8.383 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.003 -9.224 8.497 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.568 -8.836 9.202 1.00 0.00 H new ATOM 150 N THR A 11 -2.654 -2.268 7.749 1.00 0.00 N ATOM 151 CA THR A 11 -2.104 -0.914 7.475 1.00 0.00 C ATOM 152 C THR A 11 -0.592 -1.010 7.252 1.00 0.00 C ATOM 153 O THR A 11 0.045 -1.968 7.642 1.00 0.00 O ATOM 154 CB THR A 11 -2.372 -0.010 8.670 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.762 -0.017 8.968 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.918 1.417 8.353 1.00 0.00 C ATOM 0 H THR A 11 -2.038 -2.889 8.275 1.00 0.00 H new ATOM 0 HA THR A 11 -2.581 -0.504 6.585 1.00 0.00 H new ATOM 0 HB THR A 11 -1.815 -0.377 9.532 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.934 0.564 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.112 2.060 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.851 1.419 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.468 1.790 7.489 1.00 0.00 H new ATOM 164 N LEU A 12 -0.012 -0.015 6.642 1.00 0.00 N ATOM 165 CA LEU A 12 1.465 -0.033 6.404 1.00 0.00 C ATOM 166 C LEU A 12 2.018 1.381 6.490 1.00 0.00 C ATOM 167 O LEU A 12 1.772 2.187 5.633 1.00 0.00 O ATOM 168 CB LEU A 12 1.769 -0.562 4.998 1.00 0.00 C ATOM 169 CG LEU A 12 3.240 -0.255 4.618 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.153 -0.530 5.815 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.663 -1.159 3.464 1.00 0.00 C ATOM 0 H LEU A 12 -0.495 0.814 6.296 1.00 0.00 H new ATOM 0 HA LEU A 12 1.922 -0.674 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.592 -1.637 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.095 -0.102 4.275 1.00 0.00 H new ATOM 0 HG LEU A 12 3.321 0.792 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.186 -0.313 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.857 0.104 6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.067 -1.577 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.697 -0.945 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.575 -2.202 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.019 -0.976 2.604 1.00 0.00 H new ATOM 183 N ASP A 13 2.802 1.683 7.473 1.00 0.00 N ATOM 184 CA ASP A 13 3.392 3.045 7.521 1.00 0.00 C ATOM 185 C ASP A 13 4.583 3.043 6.562 1.00 0.00 C ATOM 186 O ASP A 13 5.311 2.074 6.486 1.00 0.00 O ATOM 187 CB ASP A 13 3.863 3.362 8.942 1.00 0.00 C ATOM 188 CG ASP A 13 4.157 4.859 9.060 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.299 5.642 8.689 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.237 5.196 9.516 1.00 0.00 O ATOM 0 H ASP A 13 3.060 1.059 8.238 1.00 0.00 H new ATOM 0 HA ASP A 13 2.660 3.800 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.098 3.073 9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.757 2.785 9.177 1.00 0.00 H new ATOM 195 N ALA A 14 4.809 4.098 5.830 1.00 0.00 N ATOM 196 CA ALA A 14 5.974 4.086 4.903 1.00 0.00 C ATOM 197 C ALA A 14 6.559 5.497 4.856 1.00 0.00 C ATOM 198 O ALA A 14 7.317 5.898 3.969 1.00 0.00 O ATOM 199 CB ALA A 14 5.544 3.572 3.537 1.00 0.00 C ATOM 0 H ALA A 14 4.250 4.951 5.832 1.00 0.00 H new ATOM 0 HA ALA A 14 6.753 3.408 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.401 3.566 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.153 2.559 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.769 4.222 3.131 1.00 0.00 H new ATOM 205 N LEU A 15 6.225 6.229 5.871 1.00 0.00 N ATOM 206 CA LEU A 15 6.739 7.587 6.053 1.00 0.00 C ATOM 207 C LEU A 15 8.117 7.437 6.665 1.00 0.00 C ATOM 208 O LEU A 15 8.276 7.042 7.802 1.00 0.00 O ATOM 209 CB LEU A 15 5.826 8.341 6.991 1.00 0.00 C ATOM 210 CG LEU A 15 4.382 7.861 6.816 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.442 8.760 7.612 1.00 0.00 C ATOM 212 CD2 LEU A 15 4.002 7.915 5.337 1.00 0.00 C ATOM 0 H LEU A 15 5.590 5.920 6.607 1.00 0.00 H new ATOM 0 HA LEU A 15 6.787 8.138 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.146 8.190 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.889 9.411 6.791 1.00 0.00 H new ATOM 0 HG LEU A 15 4.297 6.836 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.416 8.416 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.710 8.722 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.528 9.785 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.974 7.573 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.090 8.940 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.670 7.270 4.766 1.00 0.00 H new ATOM 224 N GLY A 16 9.107 7.683 5.886 1.00 0.00 N ATOM 225 CA GLY A 16 10.497 7.488 6.361 1.00 0.00 C ATOM 226 C GLY A 16 10.961 6.129 5.832 1.00 0.00 C ATOM 227 O GLY A 16 12.106 5.745 5.971 1.00 0.00 O ATOM 0 H GLY A 16 9.021 8.016 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.145 8.286 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.540 7.514 7.450 1.00 0.00 H new ATOM 231 N LEU A 17 10.064 5.411 5.192 1.00 0.00 N ATOM 232 CA LEU A 17 10.407 4.097 4.612 1.00 0.00 C ATOM 233 C LEU A 17 10.769 4.328 3.175 1.00 0.00 C ATOM 234 O LEU A 17 10.231 5.198 2.533 1.00 0.00 O ATOM 235 CB LEU A 17 9.192 3.175 4.625 1.00 0.00 C ATOM 236 CG LEU A 17 8.822 2.773 6.045 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.190 1.389 5.993 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.062 2.708 6.922 1.00 0.00 C ATOM 0 H LEU A 17 9.095 5.697 5.052 1.00 0.00 H new ATOM 0 HA LEU A 17 11.217 3.645 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.346 3.677 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.403 2.283 4.035 1.00 0.00 H new ATOM 0 HG LEU A 17 8.134 3.508 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.915 1.077 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.299 1.419 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.903 0.679 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.777 2.419 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.756 1.972 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.543 3.686 6.946 1.00 0.00 H new ATOM 250 N ARG A 18 11.645 3.564 2.647 1.00 0.00 N ATOM 251 CA ARG A 18 11.979 3.783 1.231 1.00 0.00 C ATOM 252 C ARG A 18 12.224 2.451 0.560 1.00 0.00 C ATOM 253 O ARG A 18 12.696 1.515 1.169 1.00 0.00 O ATOM 254 CB ARG A 18 13.192 4.681 1.130 1.00 0.00 C ATOM 255 CG ARG A 18 14.216 4.295 2.199 1.00 0.00 C ATOM 256 CD ARG A 18 14.192 5.329 3.326 1.00 0.00 C ATOM 257 NE ARG A 18 14.661 6.644 2.802 1.00 0.00 N ATOM 258 CZ ARG A 18 15.926 6.827 2.536 1.00 0.00 C ATOM 259 NH1 ARG A 18 16.838 6.330 3.325 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.277 7.508 1.479 1.00 0.00 N ATOM 0 H ARG A 18 12.142 2.807 3.117 1.00 0.00 H new ATOM 0 HA ARG A 18 11.149 4.274 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.638 4.595 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.896 5.722 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.989 3.305 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.213 4.242 1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.183 5.424 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.831 5.003 4.147 1.00 0.00 H new ATOM 0 HE ARG A 18 13.994 7.400 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.563 5.798 4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.826 6.473 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.563 7.896 0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.265 7.652 1.270 1.00 0.00 H new ATOM 274 N CYS A 19 11.903 2.354 -0.683 1.00 0.00 N ATOM 275 CA CYS A 19 12.104 1.059 -1.385 1.00 0.00 C ATOM 276 C CYS A 19 13.499 0.542 -1.068 1.00 0.00 C ATOM 277 O CYS A 19 14.438 1.309 -0.998 1.00 0.00 O ATOM 278 CB CYS A 19 11.955 1.268 -2.890 1.00 0.00 C ATOM 279 SG CYS A 19 12.563 -0.188 -3.781 1.00 0.00 S ATOM 0 H CYS A 19 11.511 3.106 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 19 11.361 0.334 -1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 19 10.909 1.446 -3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.512 2.153 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 19 12.430 -0.001 -5.061 1.00 0.00 H new ATOM 285 N PRO A 20 13.604 -0.749 -0.893 1.00 0.00 N ATOM 286 CA PRO A 20 12.469 -1.703 -0.973 1.00 0.00 C ATOM 287 C PRO A 20 11.773 -1.876 0.391 1.00 0.00 C ATOM 288 O PRO A 20 10.917 -2.714 0.548 1.00 0.00 O ATOM 289 CB PRO A 20 13.159 -3.018 -1.325 1.00 0.00 C ATOM 290 CG PRO A 20 14.617 -2.889 -0.819 1.00 0.00 C ATOM 291 CD PRO A 20 14.898 -1.391 -0.625 1.00 0.00 C ATOM 0 HA PRO A 20 11.707 -1.373 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.656 -3.861 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.134 -3.195 -2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.749 -3.430 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.314 -3.322 -1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.248 -1.178 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.669 -1.037 -1.310 1.00 0.00 H new ATOM 299 N GLU A 21 12.193 -1.149 1.385 1.00 0.00 N ATOM 300 CA GLU A 21 11.620 -1.316 2.773 1.00 0.00 C ATOM 301 C GLU A 21 10.089 -1.248 2.838 1.00 0.00 C ATOM 302 O GLU A 21 9.475 -2.077 3.476 1.00 0.00 O ATOM 303 CB GLU A 21 12.204 -0.258 3.697 1.00 0.00 C ATOM 304 CG GLU A 21 13.626 -0.656 4.100 1.00 0.00 C ATOM 305 CD GLU A 21 14.238 0.446 4.966 1.00 0.00 C ATOM 306 OE1 GLU A 21 14.779 1.384 4.404 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.156 0.332 6.179 1.00 0.00 O ATOM 0 H GLU A 21 12.917 -0.435 1.307 1.00 0.00 H new ATOM 0 HA GLU A 21 11.898 -2.321 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.215 0.710 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.580 -0.151 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.610 -1.598 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.236 -0.816 3.211 1.00 0.00 H new ATOM 314 N PRO A 22 9.512 -0.278 2.207 1.00 0.00 N ATOM 315 CA PRO A 22 8.055 -0.113 2.218 1.00 0.00 C ATOM 316 C PRO A 22 7.453 -1.233 1.399 1.00 0.00 C ATOM 317 O PRO A 22 6.729 -2.070 1.895 1.00 0.00 O ATOM 318 CB PRO A 22 7.846 1.255 1.586 1.00 0.00 C ATOM 319 CG PRO A 22 9.127 1.571 0.786 1.00 0.00 C ATOM 320 CD PRO A 22 10.237 0.711 1.408 1.00 0.00 C ATOM 0 HA PRO A 22 7.588 -0.160 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.973 1.251 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.670 2.012 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.996 1.335 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.374 2.631 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.849 0.234 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.907 1.309 2.025 1.00 0.00 H new ATOM 328 N VAL A 23 7.797 -1.282 0.157 1.00 0.00 N ATOM 329 CA VAL A 23 7.310 -2.392 -0.695 1.00 0.00 C ATOM 330 C VAL A 23 7.512 -3.697 0.078 1.00 0.00 C ATOM 331 O VAL A 23 6.821 -4.673 -0.133 1.00 0.00 O ATOM 332 CB VAL A 23 8.158 -2.449 -1.963 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.945 -3.792 -2.670 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.764 -1.307 -2.899 1.00 0.00 C ATOM 0 H VAL A 23 8.396 -0.602 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 23 6.261 -2.246 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 23 9.210 -2.348 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.552 -3.827 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.237 -4.604 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.893 -3.901 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.372 -1.351 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.711 -1.401 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.928 -0.353 -2.398 1.00 0.00 H new ATOM 344 N MET A 24 8.476 -3.719 0.968 1.00 0.00 N ATOM 345 CA MET A 24 8.739 -4.964 1.745 1.00 0.00 C ATOM 346 C MET A 24 7.651 -5.154 2.802 1.00 0.00 C ATOM 347 O MET A 24 7.162 -6.245 3.011 1.00 0.00 O ATOM 348 CB MET A 24 10.104 -4.865 2.427 1.00 0.00 C ATOM 349 CG MET A 24 11.201 -5.258 1.437 1.00 0.00 C ATOM 350 SD MET A 24 12.116 -6.680 2.084 1.00 0.00 S ATOM 351 CE MET A 24 12.373 -6.039 3.756 1.00 0.00 C ATOM 0 H MET A 24 9.087 -2.932 1.186 1.00 0.00 H new ATOM 0 HA MET A 24 8.734 -5.817 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.270 -3.849 2.785 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.135 -5.519 3.298 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.762 -5.504 0.470 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.878 -4.419 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.294 -6.452 4.166 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.446 -4.952 3.722 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.533 -6.326 4.389 1.00 0.00 H new ATOM 361 N MET A 25 7.266 -4.103 3.471 1.00 0.00 N ATOM 362 CA MET A 25 6.211 -4.236 4.511 1.00 0.00 C ATOM 363 C MET A 25 4.929 -4.742 3.858 1.00 0.00 C ATOM 364 O MET A 25 4.263 -5.606 4.382 1.00 0.00 O ATOM 365 CB MET A 25 5.955 -2.877 5.164 1.00 0.00 C ATOM 366 CG MET A 25 6.980 -2.644 6.275 1.00 0.00 C ATOM 367 SD MET A 25 6.117 -2.319 7.834 1.00 0.00 S ATOM 368 CE MET A 25 7.310 -3.127 8.928 1.00 0.00 C ATOM 0 H MET A 25 7.636 -3.161 3.342 1.00 0.00 H new ATOM 0 HA MET A 25 6.537 -4.941 5.275 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.024 -2.085 4.419 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.945 -2.843 5.573 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.624 -3.517 6.379 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.623 -1.802 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.970 -3.045 9.960 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.398 -4.179 8.657 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.282 -2.644 8.827 1.00 0.00 H new ATOM 378 N VAL A 26 4.579 -4.219 2.717 1.00 0.00 N ATOM 379 CA VAL A 26 3.341 -4.700 2.041 1.00 0.00 C ATOM 380 C VAL A 26 3.505 -6.173 1.697 1.00 0.00 C ATOM 381 O VAL A 26 2.552 -6.908 1.649 1.00 0.00 O ATOM 382 CB VAL A 26 3.108 -3.917 0.753 1.00 0.00 C ATOM 383 CG1 VAL A 26 1.966 -4.554 -0.047 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.721 -2.490 1.095 1.00 0.00 C ATOM 0 H VAL A 26 5.091 -3.486 2.226 1.00 0.00 H new ATOM 0 HA VAL A 26 2.491 -4.557 2.708 1.00 0.00 H new ATOM 0 HB VAL A 26 4.023 -3.929 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.806 -3.989 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.225 -5.583 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.054 -4.543 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.554 -1.928 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.807 -2.493 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.523 -2.022 1.665 1.00 0.00 H new ATOM 394 N ARG A 27 4.709 -6.606 1.442 1.00 0.00 N ATOM 395 CA ARG A 27 4.924 -8.042 1.093 1.00 0.00 C ATOM 396 C ARG A 27 4.644 -8.908 2.310 1.00 0.00 C ATOM 397 O ARG A 27 3.825 -9.785 2.274 1.00 0.00 O ATOM 398 CB ARG A 27 6.370 -8.275 0.665 1.00 0.00 C ATOM 399 CG ARG A 27 6.397 -8.915 -0.722 1.00 0.00 C ATOM 400 CD ARG A 27 6.959 -10.328 -0.603 1.00 0.00 C ATOM 401 NE ARG A 27 6.792 -11.045 -1.898 1.00 0.00 N ATOM 402 CZ ARG A 27 6.977 -12.336 -1.956 1.00 0.00 C ATOM 403 NH1 ARG A 27 6.003 -13.149 -1.649 1.00 0.00 N ATOM 404 NH2 ARG A 27 8.135 -12.814 -2.321 1.00 0.00 N ATOM 0 H ARG A 27 5.551 -6.031 1.460 1.00 0.00 H new ATOM 0 HA ARG A 27 4.252 -8.301 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.913 -7.330 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.873 -8.921 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.392 -8.943 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.011 -8.321 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.014 -10.289 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.445 -10.868 0.192 1.00 0.00 H new ATOM 0 HE ARG A 27 6.533 -10.528 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.098 -12.776 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.147 -14.158 -1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.896 -12.179 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.279 -13.823 -2.366 1.00 0.00 H new ATOM 418 N LYS A 28 5.328 -8.659 3.381 1.00 0.00 N ATOM 419 CA LYS A 28 5.115 -9.465 4.623 1.00 0.00 C ATOM 420 C LYS A 28 3.647 -9.367 5.010 1.00 0.00 C ATOM 421 O LYS A 28 3.041 -10.309 5.479 1.00 0.00 O ATOM 422 CB LYS A 28 5.984 -8.908 5.753 1.00 0.00 C ATOM 423 CG LYS A 28 7.457 -8.982 5.349 1.00 0.00 C ATOM 424 CD LYS A 28 8.296 -9.415 6.553 1.00 0.00 C ATOM 425 CE LYS A 28 9.072 -8.212 7.093 1.00 0.00 C ATOM 426 NZ LYS A 28 8.116 -7.207 7.634 1.00 0.00 N ATOM 0 H LYS A 28 6.034 -7.927 3.459 1.00 0.00 H new ATOM 0 HA LYS A 28 5.389 -10.505 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.706 -7.876 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.818 -9.477 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.585 -9.690 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.795 -8.011 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.651 -9.824 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.987 -10.206 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.761 -8.531 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.673 -7.768 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.640 -6.472 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.590 -6.771 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.449 -7.675 8.280 1.00 0.00 H new ATOM 440 N THR A 29 3.075 -8.228 4.777 1.00 0.00 N ATOM 441 CA THR A 29 1.639 -8.009 5.068 1.00 0.00 C ATOM 442 C THR A 29 0.856 -8.816 4.047 1.00 0.00 C ATOM 443 O THR A 29 -0.185 -9.377 4.319 1.00 0.00 O ATOM 444 CB THR A 29 1.376 -6.513 4.892 1.00 0.00 C ATOM 445 OG1 THR A 29 1.563 -5.849 6.132 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.035 -6.235 4.362 1.00 0.00 C ATOM 0 H THR A 29 3.555 -7.417 4.386 1.00 0.00 H new ATOM 0 HA THR A 29 1.351 -8.315 6.074 1.00 0.00 H new ATOM 0 HB THR A 29 2.084 -6.135 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.396 -4.890 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.177 -5.160 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.162 -6.718 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.771 -6.629 5.063 1.00 0.00 H new ATOM 454 N VAL A 30 1.400 -8.895 2.875 1.00 0.00 N ATOM 455 CA VAL A 30 0.769 -9.668 1.787 1.00 0.00 C ATOM 456 C VAL A 30 0.901 -11.144 2.149 1.00 0.00 C ATOM 457 O VAL A 30 0.120 -11.982 1.746 1.00 0.00 O ATOM 458 CB VAL A 30 1.542 -9.377 0.497 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.297 -10.477 -0.519 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.106 -8.040 -0.109 1.00 0.00 C ATOM 0 H VAL A 30 2.279 -8.444 2.620 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.280 -9.406 1.651 1.00 0.00 H new ATOM 0 HB VAL A 30 2.602 -9.330 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.852 -10.259 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.631 -11.431 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.232 -10.532 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.668 -7.855 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.041 -8.075 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.298 -7.238 0.604 1.00 0.00 H new ATOM 470 N ARG A 31 1.898 -11.446 2.931 1.00 0.00 N ATOM 471 CA ARG A 31 2.127 -12.842 3.369 1.00 0.00 C ATOM 472 C ARG A 31 1.168 -13.145 4.514 1.00 0.00 C ATOM 473 O ARG A 31 0.714 -14.261 4.680 1.00 0.00 O ATOM 474 CB ARG A 31 3.568 -12.992 3.867 1.00 0.00 C ATOM 475 CG ARG A 31 4.552 -12.679 2.733 1.00 0.00 C ATOM 476 CD ARG A 31 5.957 -13.128 3.131 1.00 0.00 C ATOM 477 NE ARG A 31 5.991 -14.614 3.248 1.00 0.00 N ATOM 478 CZ ARG A 31 6.639 -15.324 2.366 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.925 -15.161 2.215 1.00 0.00 N ATOM 480 NH2 ARG A 31 6.001 -16.195 1.633 1.00 0.00 N ATOM 0 H ARG A 31 2.573 -10.770 3.289 1.00 0.00 H new ATOM 0 HA ARG A 31 1.960 -13.529 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.743 -12.319 4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.731 -14.006 4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.243 -13.187 1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.548 -11.610 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.681 -12.795 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.241 -12.672 4.079 1.00 0.00 H new ATOM 0 HE ARG A 31 5.507 -15.076 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.423 -14.479 2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.432 -15.716 1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.996 -16.321 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.508 -16.750 0.943 1.00 0.00 H new ATOM 494 N ASN A 32 0.842 -12.154 5.306 1.00 0.00 N ATOM 495 CA ASN A 32 -0.103 -12.403 6.432 1.00 0.00 C ATOM 496 C ASN A 32 -1.495 -11.898 6.048 1.00 0.00 C ATOM 497 O ASN A 32 -2.427 -11.970 6.825 1.00 0.00 O ATOM 498 CB ASN A 32 0.380 -11.695 7.703 1.00 0.00 C ATOM 499 CG ASN A 32 0.631 -10.214 7.421 1.00 0.00 C ATOM 500 OD1 ASN A 32 1.754 -9.757 7.494 1.00 0.00 O ATOM 501 ND2 ASN A 32 -0.374 -9.440 7.112 1.00 0.00 N ATOM 0 H ASN A 32 1.185 -11.197 5.222 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.147 -13.474 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.364 -11.801 8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.296 -12.164 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.217 -8.448 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.316 -9.827 7.051 1.00 0.00 H new ATOM 508 N MET A 33 -1.647 -11.400 4.850 1.00 0.00 N ATOM 509 CA MET A 33 -2.984 -10.909 4.416 1.00 0.00 C ATOM 510 C MET A 33 -3.774 -12.057 3.787 1.00 0.00 C ATOM 511 O MET A 33 -3.323 -13.184 3.726 1.00 0.00 O ATOM 512 CB MET A 33 -2.829 -9.790 3.381 1.00 0.00 C ATOM 513 CG MET A 33 -2.814 -8.429 4.077 1.00 0.00 C ATOM 514 SD MET A 33 -3.537 -7.185 2.977 1.00 0.00 S ATOM 515 CE MET A 33 -5.124 -8.013 2.698 1.00 0.00 C ATOM 0 H MET A 33 -0.905 -11.313 4.156 1.00 0.00 H new ATOM 0 HA MET A 33 -3.513 -10.525 5.288 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.906 -9.930 2.818 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.649 -9.831 2.664 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.377 -8.478 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.792 -8.152 4.336 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.852 -7.290 2.331 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.996 -8.805 1.961 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.480 -8.443 3.634 1.00 0.00 H new ATOM 525 N GLN A 34 -4.952 -11.766 3.317 1.00 0.00 N ATOM 526 CA GLN A 34 -5.802 -12.811 2.683 1.00 0.00 C ATOM 527 C GLN A 34 -6.411 -12.226 1.408 1.00 0.00 C ATOM 528 O GLN A 34 -6.563 -11.029 1.297 1.00 0.00 O ATOM 529 CB GLN A 34 -6.919 -13.222 3.645 1.00 0.00 C ATOM 530 CG GLN A 34 -6.324 -14.022 4.807 1.00 0.00 C ATOM 531 CD GLN A 34 -7.014 -15.384 4.896 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.071 -15.505 5.483 1.00 0.00 O ATOM 533 NE2 GLN A 34 -6.458 -16.422 4.334 1.00 0.00 N ATOM 0 H GLN A 34 -5.369 -10.835 3.345 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.202 -13.689 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.431 -12.337 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.663 -13.821 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.252 -14.155 4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.452 -13.476 5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.571 -16.321 3.841 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.911 -17.334 4.388 1.00 0.00 H new ATOM 542 N PRO A 35 -6.739 -13.077 0.479 1.00 0.00 N ATOM 543 CA PRO A 35 -7.329 -12.641 -0.795 1.00 0.00 C ATOM 544 C PRO A 35 -8.745 -12.125 -0.544 1.00 0.00 C ATOM 545 O PRO A 35 -9.550 -12.765 0.103 1.00 0.00 O ATOM 546 CB PRO A 35 -7.306 -13.903 -1.661 1.00 0.00 C ATOM 547 CG PRO A 35 -7.209 -15.096 -0.681 1.00 0.00 C ATOM 548 CD PRO A 35 -6.584 -14.539 0.614 1.00 0.00 C ATOM 0 HA PRO A 35 -6.796 -11.823 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.206 -13.973 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.457 -13.891 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.194 -15.521 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.594 -15.894 -1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.096 -14.916 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.536 -14.823 0.707 1.00 0.00 H new ATOM 556 N GLY A 36 -9.032 -10.947 -1.016 1.00 0.00 N ATOM 557 CA GLY A 36 -10.362 -10.345 -0.775 1.00 0.00 C ATOM 558 C GLY A 36 -10.246 -9.462 0.464 1.00 0.00 C ATOM 559 O GLY A 36 -11.215 -9.197 1.147 1.00 0.00 O ATOM 0 H GLY A 36 -8.392 -10.372 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.679 -9.757 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.113 -11.121 -0.624 1.00 0.00 H new ATOM 563 N GLU A 37 -9.050 -9.012 0.767 1.00 0.00 N ATOM 564 CA GLU A 37 -8.865 -8.156 1.974 1.00 0.00 C ATOM 565 C GLU A 37 -8.364 -6.776 1.555 1.00 0.00 C ATOM 566 O GLU A 37 -8.254 -6.481 0.382 1.00 0.00 O ATOM 567 CB GLU A 37 -7.840 -8.802 2.903 1.00 0.00 C ATOM 568 CG GLU A 37 -8.544 -9.777 3.848 1.00 0.00 C ATOM 569 CD GLU A 37 -7.851 -9.758 5.212 1.00 0.00 C ATOM 570 OE1 GLU A 37 -6.934 -8.971 5.377 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.249 -10.532 6.066 1.00 0.00 O ATOM 0 H GLU A 37 -8.202 -9.201 0.232 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.819 -8.054 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.085 -9.328 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.321 -8.035 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.593 -9.500 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.522 -10.784 3.431 1.00 0.00 H new ATOM 578 N THR A 38 -8.062 -5.923 2.499 1.00 0.00 N ATOM 579 CA THR A 38 -7.577 -4.564 2.133 1.00 0.00 C ATOM 580 C THR A 38 -6.480 -4.102 3.094 1.00 0.00 C ATOM 581 O THR A 38 -6.531 -4.333 4.285 1.00 0.00 O ATOM 582 CB THR A 38 -8.747 -3.584 2.167 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.655 -3.965 3.191 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.455 -3.609 0.813 1.00 0.00 C ATOM 0 H THR A 38 -8.130 -6.109 3.500 1.00 0.00 H new ATOM 0 HA THR A 38 -7.156 -4.599 1.128 1.00 0.00 H new ATOM 0 HB THR A 38 -8.382 -2.577 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.405 -3.335 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.293 -2.912 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.754 -3.318 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.824 -4.615 0.614 1.00 0.00 H new ATOM 592 N LEU A 39 -5.486 -3.445 2.562 1.00 0.00 N ATOM 593 CA LEU A 39 -4.360 -2.944 3.397 1.00 0.00 C ATOM 594 C LEU A 39 -4.140 -1.462 3.077 1.00 0.00 C ATOM 595 O LEU A 39 -3.817 -1.104 1.962 1.00 0.00 O ATOM 596 CB LEU A 39 -3.092 -3.732 3.041 1.00 0.00 C ATOM 597 CG LEU A 39 -1.862 -3.073 3.673 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.616 -3.671 5.055 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.641 -3.326 2.787 1.00 0.00 C ATOM 0 H LEU A 39 -5.406 -3.231 1.568 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.586 -3.068 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.183 -4.760 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.974 -3.775 1.958 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.032 -2.000 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.741 -3.202 5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.486 -3.496 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.445 -4.744 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.236 -2.858 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.473 -4.399 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.815 -2.901 1.798 1.00 0.00 H new ATOM 611 N LEU A 40 -4.294 -0.596 4.040 1.00 0.00 N ATOM 612 CA LEU A 40 -4.072 0.850 3.775 1.00 0.00 C ATOM 613 C LEU A 40 -2.590 1.136 3.986 1.00 0.00 C ATOM 614 O LEU A 40 -1.930 0.476 4.765 1.00 0.00 O ATOM 615 CB LEU A 40 -4.912 1.693 4.737 1.00 0.00 C ATOM 616 CG LEU A 40 -4.406 3.136 4.731 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.622 3.746 3.344 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.179 3.951 5.770 1.00 0.00 C ATOM 0 H LEU A 40 -4.563 -0.828 4.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.367 1.102 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.961 1.664 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.853 1.281 5.744 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.343 3.150 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.262 4.775 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.074 3.166 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.685 3.733 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.819 4.980 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.241 3.937 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.028 3.517 6.758 1.00 0.00 H new ATOM 630 N ILE A 41 -2.044 2.078 3.278 1.00 0.00 N ATOM 631 CA ILE A 41 -0.591 2.344 3.428 1.00 0.00 C ATOM 632 C ILE A 41 -0.300 3.841 3.360 1.00 0.00 C ATOM 633 O ILE A 41 -1.001 4.594 2.720 1.00 0.00 O ATOM 634 CB ILE A 41 0.135 1.643 2.280 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.520 0.272 2.051 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.621 1.488 2.629 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.436 -0.657 1.309 1.00 0.00 C ATOM 0 H ILE A 41 -2.534 2.671 2.608 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.253 1.974 4.396 1.00 0.00 H new ATOM 0 HB ILE A 41 0.061 2.232 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.797 -0.170 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.439 0.392 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.137 0.988 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.062 2.472 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.721 0.894 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.043 -1.624 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.692 -0.220 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.343 -0.791 1.898 1.00 0.00 H new ATOM 649 N ILE A 42 0.762 4.267 3.983 1.00 0.00 N ATOM 650 CA ILE A 42 1.142 5.683 3.920 1.00 0.00 C ATOM 651 C ILE A 42 2.580 5.703 3.469 1.00 0.00 C ATOM 652 O ILE A 42 3.280 4.720 3.575 1.00 0.00 O ATOM 653 CB ILE A 42 1.024 6.344 5.284 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.284 5.896 5.940 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.035 7.870 5.106 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.801 7.005 6.848 1.00 0.00 C ATOM 0 H ILE A 42 1.384 3.678 4.537 1.00 0.00 H new ATOM 0 HA ILE A 42 0.488 6.230 3.241 1.00 0.00 H new ATOM 0 HB ILE A 42 1.861 6.055 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.025 5.661 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.121 4.985 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.951 8.351 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.968 8.174 4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.194 8.169 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.733 6.687 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.061 7.218 7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.979 7.904 6.259 1.00 0.00 H new ATOM 668 N ALA A 43 3.032 6.787 2.964 1.00 0.00 N ATOM 669 CA ALA A 43 4.430 6.829 2.505 1.00 0.00 C ATOM 670 C ALA A 43 4.853 8.269 2.334 1.00 0.00 C ATOM 671 O ALA A 43 4.228 9.027 1.634 1.00 0.00 O ATOM 672 CB ALA A 43 4.553 6.098 1.167 1.00 0.00 C ATOM 0 H ALA A 43 2.501 7.650 2.846 1.00 0.00 H new ATOM 0 HA ALA A 43 5.071 6.343 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.589 6.130 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.243 5.060 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.915 6.582 0.428 1.00 0.00 H new ATOM 678 N ASP A 44 5.936 8.638 2.913 1.00 0.00 N ATOM 679 CA ASP A 44 6.415 10.016 2.717 1.00 0.00 C ATOM 680 C ASP A 44 7.579 9.901 1.765 1.00 0.00 C ATOM 681 O ASP A 44 7.898 10.814 1.029 1.00 0.00 O ATOM 682 CB ASP A 44 6.828 10.672 4.040 1.00 0.00 C ATOM 683 CG ASP A 44 8.088 10.028 4.614 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.983 9.714 3.848 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.141 9.875 5.822 1.00 0.00 O ATOM 0 H ASP A 44 6.514 8.050 3.514 1.00 0.00 H new ATOM 0 HA ASP A 44 5.630 10.657 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.002 11.736 3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.014 10.586 4.760 1.00 0.00 H new ATOM 690 N ASP A 45 8.188 8.743 1.736 1.00 0.00 N ATOM 691 CA ASP A 45 9.294 8.542 0.782 1.00 0.00 C ATOM 692 C ASP A 45 8.718 8.720 -0.631 1.00 0.00 C ATOM 693 O ASP A 45 7.595 8.337 -0.886 1.00 0.00 O ATOM 694 CB ASP A 45 9.823 7.142 0.992 1.00 0.00 C ATOM 695 CG ASP A 45 10.551 6.638 -0.254 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.725 6.939 -0.393 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.927 5.951 -1.043 1.00 0.00 O ATOM 0 H ASP A 45 7.964 7.943 2.328 1.00 0.00 H new ATOM 0 HA ASP A 45 10.110 9.251 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.503 7.130 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.999 6.470 1.232 1.00 0.00 H new ATOM 702 N PRO A 46 9.486 9.321 -1.499 1.00 0.00 N ATOM 703 CA PRO A 46 9.052 9.593 -2.883 1.00 0.00 C ATOM 704 C PRO A 46 9.129 8.323 -3.721 1.00 0.00 C ATOM 705 O PRO A 46 8.530 8.213 -4.772 1.00 0.00 O ATOM 706 CB PRO A 46 10.059 10.634 -3.374 1.00 0.00 C ATOM 707 CG PRO A 46 11.313 10.489 -2.476 1.00 0.00 C ATOM 708 CD PRO A 46 10.855 9.771 -1.193 1.00 0.00 C ATOM 0 HA PRO A 46 8.021 9.940 -2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.310 10.467 -4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.644 11.639 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.089 9.917 -2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.738 11.465 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.506 8.930 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.871 10.442 -0.334 1.00 0.00 H new ATOM 716 N ALA A 47 9.872 7.368 -3.258 1.00 0.00 N ATOM 717 CA ALA A 47 10.013 6.090 -4.015 1.00 0.00 C ATOM 718 C ALA A 47 8.946 5.090 -3.565 1.00 0.00 C ATOM 719 O ALA A 47 8.855 3.998 -4.086 1.00 0.00 O ATOM 720 CB ALA A 47 11.402 5.500 -3.767 1.00 0.00 C ATOM 0 H ALA A 47 10.394 7.412 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 47 9.885 6.292 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.505 4.566 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.162 6.206 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.530 5.307 -2.702 1.00 0.00 H new ATOM 726 N THR A 48 8.142 5.442 -2.602 1.00 0.00 N ATOM 727 CA THR A 48 7.092 4.494 -2.135 1.00 0.00 C ATOM 728 C THR A 48 5.846 4.647 -3.003 1.00 0.00 C ATOM 729 O THR A 48 5.209 3.679 -3.369 1.00 0.00 O ATOM 730 CB THR A 48 6.729 4.804 -0.681 1.00 0.00 C ATOM 731 OG1 THR A 48 6.728 6.211 -0.485 1.00 0.00 O ATOM 732 CG2 THR A 48 7.749 4.159 0.251 1.00 0.00 C ATOM 0 H THR A 48 8.165 6.340 -2.120 1.00 0.00 H new ATOM 0 HA THR A 48 7.471 3.475 -2.209 1.00 0.00 H new ATOM 0 HB THR A 48 5.739 4.405 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.652 6.536 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.488 4.381 1.286 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.748 3.079 0.100 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.741 4.554 0.034 1.00 0.00 H new ATOM 740 N THR A 49 5.491 5.854 -3.336 1.00 0.00 N ATOM 741 CA THR A 49 4.280 6.059 -4.183 1.00 0.00 C ATOM 742 C THR A 49 4.436 5.252 -5.463 1.00 0.00 C ATOM 743 O THR A 49 3.475 4.788 -6.041 1.00 0.00 O ATOM 744 CB THR A 49 4.126 7.539 -4.561 1.00 0.00 C ATOM 745 OG1 THR A 49 4.806 7.782 -5.785 1.00 0.00 O ATOM 746 CG2 THR A 49 4.718 8.428 -3.472 1.00 0.00 C ATOM 0 H THR A 49 5.982 6.705 -3.062 1.00 0.00 H new ATOM 0 HA THR A 49 3.402 5.740 -3.622 1.00 0.00 H new ATOM 0 HB THR A 49 3.066 7.769 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.709 8.726 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.602 9.475 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.199 8.245 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.777 8.200 -3.352 1.00 0.00 H new ATOM 754 N ARG A 50 5.641 5.114 -5.932 1.00 0.00 N ATOM 755 CA ARG A 50 5.852 4.363 -7.204 1.00 0.00 C ATOM 756 C ARG A 50 6.240 2.901 -6.953 1.00 0.00 C ATOM 757 O ARG A 50 5.860 2.017 -7.694 1.00 0.00 O ATOM 758 CB ARG A 50 6.966 5.039 -8.000 1.00 0.00 C ATOM 759 CG ARG A 50 6.433 6.323 -8.638 1.00 0.00 C ATOM 760 CD ARG A 50 7.528 6.959 -9.495 1.00 0.00 C ATOM 761 NE ARG A 50 7.825 8.326 -8.986 1.00 0.00 N ATOM 762 CZ ARG A 50 7.618 9.366 -9.746 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.538 9.435 -10.477 1.00 0.00 N ATOM 764 NH2 ARG A 50 8.490 10.336 -9.777 1.00 0.00 N ATOM 0 H ARG A 50 6.486 5.484 -5.496 1.00 0.00 H new ATOM 0 HA ARG A 50 4.913 4.371 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.807 5.268 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.337 4.364 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.559 6.102 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.111 7.020 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.429 6.345 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.208 7.008 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 50 8.191 8.450 -8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.857 8.676 -10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.376 10.248 -11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.334 10.281 -9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.328 11.149 -10.371 1.00 0.00 H new ATOM 778 N ASP A 51 7.032 2.645 -5.957 1.00 0.00 N ATOM 779 CA ASP A 51 7.488 1.243 -5.711 1.00 0.00 C ATOM 780 C ASP A 51 6.479 0.431 -4.889 1.00 0.00 C ATOM 781 O ASP A 51 6.177 -0.697 -5.218 1.00 0.00 O ATOM 782 CB ASP A 51 8.822 1.282 -4.964 1.00 0.00 C ATOM 783 CG ASP A 51 9.891 1.907 -5.863 1.00 0.00 C ATOM 784 OD1 ASP A 51 10.197 1.314 -6.885 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.387 2.966 -5.514 1.00 0.00 O ATOM 0 H ASP A 51 7.386 3.340 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 51 7.590 0.754 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.720 1.860 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.119 0.274 -4.675 1.00 0.00 H new ATOM 790 N ILE A 52 5.980 0.965 -3.814 1.00 0.00 N ATOM 791 CA ILE A 52 5.024 0.180 -2.976 1.00 0.00 C ATOM 792 C ILE A 52 3.888 -0.392 -3.821 1.00 0.00 C ATOM 793 O ILE A 52 3.593 -1.566 -3.727 1.00 0.00 O ATOM 794 CB ILE A 52 4.482 1.065 -1.846 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.380 0.899 -0.626 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.045 0.672 -1.475 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.714 1.539 0.591 1.00 0.00 C ATOM 0 H ILE A 52 6.188 1.905 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 52 5.555 -0.665 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 52 4.475 2.102 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.564 -0.159 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.349 1.363 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.687 1.316 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.400 0.786 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.026 -0.366 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.357 1.419 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.553 2.600 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.756 1.054 0.778 1.00 0.00 H new ATOM 809 N PRO A 53 3.279 0.432 -4.617 1.00 0.00 N ATOM 810 CA PRO A 53 2.177 -0.016 -5.466 1.00 0.00 C ATOM 811 C PRO A 53 2.709 -0.875 -6.593 1.00 0.00 C ATOM 812 O PRO A 53 2.239 -1.963 -6.816 1.00 0.00 O ATOM 813 CB PRO A 53 1.556 1.270 -5.975 1.00 0.00 C ATOM 814 CG PRO A 53 2.624 2.374 -5.814 1.00 0.00 C ATOM 815 CD PRO A 53 3.628 1.859 -4.766 1.00 0.00 C ATOM 0 HA PRO A 53 1.447 -0.632 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.258 1.169 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.657 1.516 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.122 2.574 -6.763 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.169 3.310 -5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.657 1.986 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.532 2.395 -3.822 1.00 0.00 H new ATOM 823 N GLY A 54 3.697 -0.416 -7.294 1.00 0.00 N ATOM 824 CA GLY A 54 4.248 -1.257 -8.382 1.00 0.00 C ATOM 825 C GLY A 54 4.494 -2.651 -7.820 1.00 0.00 C ATOM 826 O GLY A 54 4.481 -3.631 -8.538 1.00 0.00 O ATOM 0 H GLY A 54 4.143 0.492 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.552 -1.301 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.176 -0.830 -8.761 1.00 0.00 H new ATOM 830 N PHE A 55 4.694 -2.755 -6.532 1.00 0.00 N ATOM 831 CA PHE A 55 4.907 -4.098 -5.938 1.00 0.00 C ATOM 832 C PHE A 55 3.553 -4.809 -5.827 1.00 0.00 C ATOM 833 O PHE A 55 3.395 -5.927 -6.276 1.00 0.00 O ATOM 834 CB PHE A 55 5.552 -3.956 -4.548 1.00 0.00 C ATOM 835 CG PHE A 55 5.101 -5.090 -3.650 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.063 -6.402 -4.137 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.695 -4.821 -2.343 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.616 -7.439 -3.320 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.254 -5.863 -1.526 1.00 0.00 C ATOM 840 CZ PHE A 55 4.211 -7.171 -2.015 1.00 0.00 C ATOM 0 H PHE A 55 4.718 -1.975 -5.876 1.00 0.00 H new ATOM 0 HA PHE A 55 5.574 -4.684 -6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.638 -3.963 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.276 -2.999 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.381 -6.611 -5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.722 -3.810 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.584 -8.450 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.945 -5.657 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.864 -7.974 -1.381 1.00 0.00 H new ATOM 850 N CYS A 56 2.582 -4.186 -5.217 1.00 0.00 N ATOM 851 CA CYS A 56 1.264 -4.854 -5.070 1.00 0.00 C ATOM 852 C CYS A 56 0.758 -5.312 -6.432 1.00 0.00 C ATOM 853 O CYS A 56 0.169 -6.360 -6.558 1.00 0.00 O ATOM 854 CB CYS A 56 0.279 -3.872 -4.452 1.00 0.00 C ATOM 855 SG CYS A 56 0.634 -3.728 -2.682 1.00 0.00 S ATOM 0 H CYS A 56 2.646 -3.250 -4.817 1.00 0.00 H new ATOM 0 HA CYS A 56 1.365 -5.727 -4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.363 -2.898 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.744 -4.216 -4.605 1.00 0.00 H new ATOM 0 HG CYS A 56 1.850 -3.299 -2.517 1.00 0.00 H new ATOM 861 N THR A 57 0.983 -4.543 -7.451 1.00 0.00 N ATOM 862 CA THR A 57 0.506 -4.955 -8.800 1.00 0.00 C ATOM 863 C THR A 57 1.212 -6.246 -9.222 1.00 0.00 C ATOM 864 O THR A 57 0.649 -7.083 -9.896 1.00 0.00 O ATOM 865 CB THR A 57 0.819 -3.855 -9.814 1.00 0.00 C ATOM 866 OG1 THR A 57 0.285 -2.621 -9.354 1.00 0.00 O ATOM 867 CG2 THR A 57 0.193 -4.217 -11.160 1.00 0.00 C ATOM 0 H THR A 57 1.474 -3.650 -7.414 1.00 0.00 H new ATOM 0 HA THR A 57 -0.571 -5.122 -8.764 1.00 0.00 H new ATOM 0 HB THR A 57 1.899 -3.759 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.487 -1.915 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.414 -3.435 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.605 -5.164 -11.510 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.887 -4.311 -11.045 1.00 0.00 H new ATOM 875 N PHE A 58 2.447 -6.403 -8.837 1.00 0.00 N ATOM 876 CA PHE A 58 3.203 -7.631 -9.222 1.00 0.00 C ATOM 877 C PHE A 58 2.653 -8.858 -8.483 1.00 0.00 C ATOM 878 O PHE A 58 2.575 -9.937 -9.036 1.00 0.00 O ATOM 879 CB PHE A 58 4.678 -7.446 -8.861 1.00 0.00 C ATOM 880 CG PHE A 58 5.527 -8.355 -9.718 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.401 -9.744 -9.601 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.440 -7.809 -10.626 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.190 -10.588 -10.394 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.229 -8.651 -11.419 1.00 0.00 C ATOM 885 CZ PHE A 58 7.103 -10.041 -11.303 1.00 0.00 C ATOM 0 H PHE A 58 2.968 -5.733 -8.271 1.00 0.00 H new ATOM 0 HA PHE A 58 3.094 -7.789 -10.295 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.972 -6.407 -9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.836 -7.672 -7.806 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.696 -10.165 -8.900 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.536 -6.737 -10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.094 -11.660 -10.304 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.934 -8.229 -12.120 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.711 -10.691 -11.915 1.00 0.00 H new ATOM 895 N MET A 59 2.284 -8.714 -7.238 1.00 0.00 N ATOM 896 CA MET A 59 1.761 -9.890 -6.480 1.00 0.00 C ATOM 897 C MET A 59 0.313 -10.196 -6.875 1.00 0.00 C ATOM 898 O MET A 59 -0.313 -11.072 -6.313 1.00 0.00 O ATOM 899 CB MET A 59 1.839 -9.613 -4.988 1.00 0.00 C ATOM 900 CG MET A 59 3.177 -10.118 -4.447 1.00 0.00 C ATOM 901 SD MET A 59 3.202 -11.927 -4.496 1.00 0.00 S ATOM 902 CE MET A 59 4.969 -12.120 -4.834 1.00 0.00 C ATOM 0 H MET A 59 2.321 -7.839 -6.715 1.00 0.00 H new ATOM 0 HA MET A 59 2.374 -10.758 -6.724 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.738 -8.544 -4.800 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.016 -10.107 -4.472 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.997 -9.716 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.323 -9.769 -3.425 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.345 -13.000 -4.312 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.123 -12.241 -5.906 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.504 -11.236 -4.488 1.00 0.00 H new ATOM 912 N GLU A 60 -0.217 -9.491 -7.838 1.00 0.00 N ATOM 913 CA GLU A 60 -1.622 -9.751 -8.280 1.00 0.00 C ATOM 914 C GLU A 60 -2.611 -9.065 -7.334 1.00 0.00 C ATOM 915 O GLU A 60 -3.763 -9.441 -7.248 1.00 0.00 O ATOM 916 CB GLU A 60 -1.892 -11.258 -8.294 1.00 0.00 C ATOM 917 CG GLU A 60 -2.983 -11.574 -9.318 1.00 0.00 C ATOM 918 CD GLU A 60 -2.402 -11.474 -10.730 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.334 -10.902 -10.871 1.00 0.00 O ATOM 920 OE2 GLU A 60 -3.036 -11.970 -11.646 1.00 0.00 O ATOM 0 H GLU A 60 0.262 -8.744 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.752 -9.348 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.979 -11.799 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.201 -11.592 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.379 -12.575 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.815 -10.879 -9.205 1.00 0.00 H new ATOM 927 N HIS A 61 -2.174 -8.061 -6.632 1.00 0.00 N ATOM 928 CA HIS A 61 -3.076 -7.343 -5.701 1.00 0.00 C ATOM 929 C HIS A 61 -3.642 -6.114 -6.408 1.00 0.00 C ATOM 930 O HIS A 61 -3.278 -5.811 -7.527 1.00 0.00 O ATOM 931 CB HIS A 61 -2.279 -6.913 -4.477 1.00 0.00 C ATOM 932 CG HIS A 61 -1.588 -8.114 -3.909 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.907 -9.397 -4.317 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.592 -8.251 -2.977 1.00 0.00 C ATOM 935 CE1 HIS A 61 -1.116 -10.245 -3.642 1.00 0.00 C ATOM 936 NE2 HIS A 61 -0.294 -9.600 -2.808 1.00 0.00 N ATOM 0 H HIS A 61 -1.219 -7.705 -6.666 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.895 -7.992 -5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.549 -6.151 -4.750 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.940 -6.470 -3.732 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.615 -9.652 -5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.112 -7.437 -2.454 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.140 -11.318 -3.758 1.00 0.00 H new ATOM 944 N GLU A 62 -4.546 -5.415 -5.783 1.00 0.00 N ATOM 945 CA GLU A 62 -5.144 -4.231 -6.445 1.00 0.00 C ATOM 946 C GLU A 62 -4.953 -2.973 -5.618 1.00 0.00 C ATOM 947 O GLU A 62 -4.993 -2.995 -4.410 1.00 0.00 O ATOM 948 CB GLU A 62 -6.640 -4.460 -6.612 1.00 0.00 C ATOM 949 CG GLU A 62 -6.928 -5.059 -7.989 1.00 0.00 C ATOM 950 CD GLU A 62 -8.296 -4.581 -8.479 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.232 -4.627 -7.697 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.385 -4.180 -9.627 1.00 0.00 O ATOM 0 H GLU A 62 -4.894 -5.614 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.649 -4.100 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.003 -5.130 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.175 -3.517 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.153 -4.762 -8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.910 -6.147 -7.935 1.00 0.00 H new ATOM 959 N LEU A 63 -4.819 -1.866 -6.283 1.00 0.00 N ATOM 960 CA LEU A 63 -4.703 -0.565 -5.576 1.00 0.00 C ATOM 961 C LEU A 63 -6.137 -0.094 -5.374 1.00 0.00 C ATOM 962 O LEU A 63 -6.775 0.380 -6.294 1.00 0.00 O ATOM 963 CB LEU A 63 -3.911 0.422 -6.453 1.00 0.00 C ATOM 964 CG LEU A 63 -4.318 1.874 -6.164 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.649 2.355 -4.874 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.865 2.759 -7.327 1.00 0.00 C ATOM 0 H LEU A 63 -4.784 -1.805 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.176 -0.643 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.843 0.298 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.083 0.196 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.400 1.931 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.942 3.386 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.962 1.722 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.566 2.300 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.150 3.793 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.782 2.695 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.340 2.421 -8.248 1.00 0.00 H new ATOM 978 N VAL A 64 -6.680 -0.270 -4.205 1.00 0.00 N ATOM 979 CA VAL A 64 -8.078 0.107 -3.992 1.00 0.00 C ATOM 980 C VAL A 64 -8.235 1.634 -4.028 1.00 0.00 C ATOM 981 O VAL A 64 -9.080 2.145 -4.735 1.00 0.00 O ATOM 982 CB VAL A 64 -8.504 -0.505 -2.667 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.881 -0.015 -2.301 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.562 -2.021 -2.818 1.00 0.00 C ATOM 0 H VAL A 64 -6.204 -0.661 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.724 -0.270 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.790 -0.222 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.183 -0.455 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.868 1.071 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.589 -0.306 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.867 -2.469 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.283 -2.282 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.578 -2.397 -3.097 1.00 0.00 H new ATOM 994 N ALA A 65 -7.439 2.383 -3.305 1.00 0.00 N ATOM 995 CA ALA A 65 -7.604 3.874 -3.378 1.00 0.00 C ATOM 996 C ALA A 65 -6.249 4.581 -3.225 1.00 0.00 C ATOM 997 O ALA A 65 -5.492 4.301 -2.350 1.00 0.00 O ATOM 998 CB ALA A 65 -8.547 4.333 -2.264 1.00 0.00 C ATOM 0 H ALA A 65 -6.703 2.044 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.021 4.132 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.669 5.415 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.517 3.852 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.127 4.059 -1.296 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.912 5.496 -4.073 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.604 6.159 -3.906 1.00 0.00 C ATOM 1006 C LYS A 66 -4.769 7.500 -3.219 1.00 0.00 C ATOM 1007 O LYS A 66 -5.836 8.079 -3.177 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.982 6.390 -5.259 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.394 5.269 -6.184 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.662 5.657 -6.950 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.299 6.005 -8.395 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.455 6.683 -9.047 1.00 0.00 N ATOM 0 H LYS A 66 -6.475 5.811 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.968 5.516 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.304 7.350 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.896 6.428 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.589 5.051 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.571 4.360 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.377 4.834 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.144 6.509 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.424 6.654 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.037 5.100 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.209 6.920 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.279 6.048 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.684 7.554 -8.528 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.698 7.992 -2.693 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.726 9.302 -2.007 1.00 0.00 C ATOM 1028 C GLU A 67 -2.481 10.107 -2.388 1.00 0.00 C ATOM 1029 O GLU A 67 -1.373 9.774 -2.020 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.754 9.070 -0.510 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.204 9.012 -0.024 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.420 10.065 1.065 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.752 11.084 1.017 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.250 9.834 1.928 1.00 0.00 O ATOM 0 H GLU A 67 -2.786 7.536 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.613 9.861 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.241 8.139 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.221 9.871 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.885 9.189 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.429 8.019 0.366 1.00 0.00 H new ATOM 1041 N THR A 68 -2.662 11.167 -3.122 1.00 0.00 N ATOM 1042 CA THR A 68 -1.507 12.012 -3.536 1.00 0.00 C ATOM 1043 C THR A 68 -1.904 13.475 -3.366 1.00 0.00 C ATOM 1044 O THR A 68 -1.472 14.340 -4.103 1.00 0.00 O ATOM 1045 CB THR A 68 -1.172 11.738 -5.005 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.239 12.193 -5.825 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.970 10.236 -5.211 1.00 0.00 C ATOM 0 H THR A 68 -3.570 11.488 -3.457 1.00 0.00 H new ATOM 0 HA THR A 68 -0.633 11.784 -2.926 1.00 0.00 H new ATOM 0 HB THR A 68 -0.257 12.265 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.025 12.020 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.732 10.041 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.151 9.889 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.884 9.706 -4.942 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.735 13.755 -2.399 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.176 15.163 -2.174 1.00 0.00 C ATOM 1057 C ASP A 69 -2.083 15.944 -1.450 1.00 0.00 C ATOM 1058 O ASP A 69 -2.255 17.091 -1.087 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.445 15.167 -1.328 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.552 14.406 -2.061 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.562 14.442 -3.279 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.372 13.801 -1.389 1.00 0.00 O ATOM 0 H ASP A 69 -3.128 13.070 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.373 15.633 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.251 14.704 -0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.761 16.192 -1.133 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.965 15.328 -1.245 1.00 0.00 N ATOM 1068 CA GLY A 70 0.151 15.995 -0.556 1.00 0.00 C ATOM 1069 C GLY A 70 0.678 15.078 0.526 1.00 0.00 C ATOM 1070 O GLY A 70 -0.050 14.579 1.362 1.00 0.00 O ATOM 0 H GLY A 70 -0.776 14.368 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.943 16.234 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.183 16.937 -0.122 1.00 0.00 H new ATOM 1074 N LEU A 71 1.939 14.855 0.483 1.00 0.00 N ATOM 1075 CA LEU A 71 2.602 13.964 1.468 1.00 0.00 C ATOM 1076 C LEU A 71 1.942 14.096 2.849 1.00 0.00 C ATOM 1077 O LEU A 71 1.506 15.161 3.235 1.00 0.00 O ATOM 1078 CB LEU A 71 4.077 14.339 1.591 1.00 0.00 C ATOM 1079 CG LEU A 71 4.773 14.140 0.256 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.906 15.157 0.109 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.350 12.727 0.196 1.00 0.00 C ATOM 0 H LEU A 71 2.567 15.260 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 71 2.503 12.936 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.172 15.377 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.555 13.726 2.355 1.00 0.00 H new ATOM 0 HG LEU A 71 4.055 14.280 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.403 15.012 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.497 16.166 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.626 15.019 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.851 12.579 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.067 12.592 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.544 12.000 0.300 1.00 0.00 H new ATOM 1093 N PRO A 72 1.915 12.993 3.550 1.00 0.00 N ATOM 1094 CA PRO A 72 2.454 11.730 3.039 1.00 0.00 C ATOM 1095 C PRO A 72 1.414 11.074 2.134 1.00 0.00 C ATOM 1096 O PRO A 72 0.223 11.204 2.336 1.00 0.00 O ATOM 1097 CB PRO A 72 2.653 10.884 4.281 1.00 0.00 C ATOM 1098 CG PRO A 72 1.671 11.446 5.326 1.00 0.00 C ATOM 1099 CD PRO A 72 1.359 12.900 4.909 1.00 0.00 C ATOM 0 HA PRO A 72 3.371 11.856 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.449 9.833 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.682 10.945 4.637 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.759 10.849 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.109 11.416 6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.287 13.100 4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.824 13.620 5.583 1.00 0.00 H new ATOM 1107 N TYR A 73 1.858 10.369 1.152 1.00 0.00 N ATOM 1108 CA TYR A 73 0.918 9.685 0.224 1.00 0.00 C ATOM 1109 C TYR A 73 0.242 8.518 0.923 1.00 0.00 C ATOM 1110 O TYR A 73 0.704 8.044 1.938 1.00 0.00 O ATOM 1111 CB TYR A 73 1.670 9.074 -0.932 1.00 0.00 C ATOM 1112 CG TYR A 73 2.771 9.967 -1.390 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.503 11.086 -2.179 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.073 9.628 -1.063 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.556 11.880 -2.633 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.137 10.403 -1.520 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.881 11.539 -2.307 1.00 0.00 C ATOM 1118 OH TYR A 73 5.928 12.312 -2.766 1.00 0.00 O ATOM 0 H TYR A 73 2.846 10.230 0.942 1.00 0.00 H new ATOM 0 HA TYR A 73 0.199 10.433 -0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.081 8.110 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.983 8.886 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.485 11.336 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.265 8.759 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.354 12.755 -3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.152 10.132 -1.271 1.00 0.00 H new ATOM 0 HH TYR A 73 5.630 13.241 -2.865 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.807 8.000 0.350 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.451 6.820 0.941 1.00 0.00 C ATOM 1130 C ARG A 74 -2.020 5.999 -0.182 1.00 0.00 C ATOM 1131 O ARG A 74 -2.356 6.504 -1.219 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.546 7.230 1.900 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.929 7.457 3.264 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.713 8.532 4.019 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.084 9.862 3.785 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.627 10.938 4.285 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -2.538 11.181 5.564 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -3.258 11.773 3.505 1.00 0.00 N ATOM 0 H ARG A 74 -1.240 8.351 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.722 6.240 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.036 8.139 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.311 6.456 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.931 6.527 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.888 7.763 3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.750 8.544 3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.726 8.306 5.085 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.229 9.932 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.044 10.530 6.174 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.963 12.022 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.327 11.584 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.683 12.614 3.896 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.126 4.737 0.007 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.659 3.894 -1.075 1.00 0.00 C ATOM 1154 C TYR A 75 -3.295 2.664 -0.477 1.00 0.00 C ATOM 1155 O TYR A 75 -2.653 1.907 0.224 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.541 3.439 -1.995 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.426 4.446 -2.021 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.543 5.640 -2.733 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.746 4.142 -1.362 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.534 6.531 -2.785 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.828 5.030 -1.394 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.723 6.226 -2.113 1.00 0.00 C ATOM 1163 OH TYR A 75 2.795 7.093 -2.173 1.00 0.00 O ATOM 0 H TYR A 75 -1.868 4.246 0.863 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.387 4.477 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.158 2.475 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.930 3.295 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.465 5.876 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.830 3.213 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.448 7.452 -3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.740 4.793 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 75 3.550 6.714 -1.677 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.529 2.419 -0.761 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.127 1.216 -0.222 1.00 0.00 C ATOM 1175 C LEU A 76 -4.873 0.114 -1.234 1.00 0.00 C ATOM 1176 O LEU A 76 -4.802 0.380 -2.416 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.624 1.350 -0.070 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.155 0.037 0.475 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.899 -0.038 1.975 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.635 -0.039 0.190 1.00 0.00 C ATOM 0 H LEU A 76 -5.135 3.001 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.698 1.014 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.867 2.170 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.086 1.580 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.648 -0.801 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.282 -0.982 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.827 0.025 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.404 0.790 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.032 -0.978 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.142 0.796 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.801 0.010 -0.886 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.749 -1.104 -0.826 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.524 -2.156 -1.830 1.00 0.00 C ATOM 1194 C ILE A 77 -5.221 -3.444 -1.404 1.00 0.00 C ATOM 1195 O ILE A 77 -4.784 -4.116 -0.492 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.029 -2.386 -1.940 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.347 -1.026 -2.129 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.737 -3.307 -3.127 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.927 -1.204 -2.670 1.00 0.00 C ATOM 0 H ILE A 77 -4.793 -1.414 0.145 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.932 -1.851 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.647 -2.863 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.930 -0.414 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.315 -0.494 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.662 -3.471 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.240 -4.262 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.100 -2.844 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.461 -0.227 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.342 -1.797 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.966 -1.715 -3.632 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.302 -3.809 -2.050 1.00 0.00 N ATOM 1212 CA ARG A 78 -6.976 -5.072 -1.634 1.00 0.00 C ATOM 1213 C ARG A 78 -6.145 -6.263 -2.117 1.00 0.00 C ATOM 1214 O ARG A 78 -5.951 -6.454 -3.299 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.386 -5.146 -2.226 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.299 -5.446 -3.718 1.00 0.00 C ATOM 1217 CD ARG A 78 -9.632 -5.112 -4.388 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.649 -6.133 -4.007 1.00 0.00 N ATOM 1219 CZ ARG A 78 -10.563 -7.347 -4.478 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -11.103 -7.641 -5.630 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -9.936 -8.268 -3.798 1.00 0.00 N ATOM 0 H ARG A 78 -6.734 -3.303 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.058 -5.095 -0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.963 -5.921 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.909 -4.204 -2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.497 -4.862 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.055 -6.497 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.966 -4.120 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.511 -5.090 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.412 -5.883 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.592 -6.922 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.035 -8.590 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.513 -8.039 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.869 -9.217 -4.166 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.657 -7.073 -1.211 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.847 -8.248 -1.638 1.00 0.00 C ATOM 1237 C LYS A 79 -5.764 -9.214 -2.361 1.00 0.00 C ATOM 1238 O LYS A 79 -6.591 -9.852 -1.749 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.238 -8.958 -0.432 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.357 -10.105 -0.939 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.652 -10.777 0.237 1.00 0.00 C ATOM 1242 CE LYS A 79 -3.301 -12.134 0.514 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.242 -13.173 0.646 1.00 0.00 N ATOM 0 H LYS A 79 -5.784 -6.971 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.038 -7.909 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.647 -8.260 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.024 -9.342 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.966 -10.834 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.620 -9.724 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.593 -10.907 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.715 -10.144 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.894 -12.086 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.983 -12.395 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.585 -13.943 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.009 -13.552 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.392 -12.750 1.069 1.00 0.00 H new