USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 39 THR OG1 : rot -140:sc= 0.387 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -131:sc= 0.277 (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Set 3.1: A 18 MET CE :methyl 174:sc= -3.9 (180deg=-1.18!) USER MOD Set 3.2: A 82 MET CE :methyl -163:sc= -9.89! (180deg=-12.3!) USER MOD Set 3.3: A 86 MET CE :methyl -171:sc= -10.4! (180deg=-8.83!) USER MOD Single : A 6 GLN : amide:sc= -5.47! C(o=-5.5!,f=-12!) USER MOD Single : A 7 GLN : amide:sc= -0.18 K(o=-0.18,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc=-0.00583 (180deg=-0.00583) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0098 USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= -0.151 (180deg=-0.726) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 165:sc= -12.5! (180deg=-13.4!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 62:sc= 0.529 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -121:sc= -2.16! (180deg=-7.26!) USER MOD Single : A 85 GLN : amide:sc= -2.17 K(o=-2.2,f=-8.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot -37:sc= 0.152 USER MOD Single : B 121 MET CE :methyl 155:sc= -3.74! (180deg=-6.06!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.076 2.647 -1.159 1.00 0.00 N ATOM 68 CA GLN A 6 -13.120 2.850 -0.076 1.00 0.00 C ATOM 69 C GLN A 6 -11.721 3.134 -0.622 1.00 0.00 C ATOM 70 O GLN A 6 -10.896 3.751 0.051 1.00 0.00 O ATOM 71 CB GLN A 6 -13.088 1.625 0.842 1.00 0.00 C ATOM 72 CG GLN A 6 -12.565 0.368 0.163 1.00 0.00 C ATOM 73 CD GLN A 6 -11.842 -0.555 1.125 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.983 -0.435 2.342 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.063 -1.483 0.582 1.00 0.00 N ATOM 0 HA GLN A 6 -13.443 3.717 0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.464 1.847 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.094 1.434 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.398 -0.168 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.888 0.650 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.976 -1.546 -0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.552 -2.133 1.179 1.00 0.00 H new ATOM 84 N GLN A 7 -11.466 2.683 -1.847 1.00 0.00 N ATOM 85 CA GLN A 7 -10.170 2.894 -2.484 1.00 0.00 C ATOM 86 C GLN A 7 -9.956 4.368 -2.808 1.00 0.00 C ATOM 87 O GLN A 7 -8.823 4.820 -2.969 1.00 0.00 O ATOM 88 CB GLN A 7 -10.064 2.068 -3.766 1.00 0.00 C ATOM 89 CG GLN A 7 -10.592 0.648 -3.625 1.00 0.00 C ATOM 90 CD GLN A 7 -11.620 0.300 -4.684 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.396 1.152 -5.116 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.632 -0.959 -5.106 1.00 0.00 N ATOM 0 H GLN A 7 -12.138 2.170 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.398 2.573 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.614 2.573 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.020 2.029 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.760 -0.053 -3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.037 0.526 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.970 -1.633 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.303 -1.253 -5.816 1.00 0.00 H new ATOM 101 N ALA A 8 -11.052 5.114 -2.905 1.00 0.00 N ATOM 102 CA ALA A 8 -10.982 6.534 -3.212 1.00 0.00 C ATOM 103 C ALA A 8 -10.851 7.356 -1.937 1.00 0.00 C ATOM 104 O ALA A 8 -9.984 8.223 -1.834 1.00 0.00 O ATOM 105 CB ALA A 8 -12.207 6.967 -4.003 1.00 0.00 C ATOM 0 H ALA A 8 -11.998 4.756 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.096 6.709 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.139 8.032 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.255 6.405 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.105 6.775 -3.416 1.00 0.00 H new ATOM 111 N GLU A 9 -11.708 7.068 -0.960 1.00 0.00 N ATOM 112 CA GLU A 9 -11.670 7.776 0.316 1.00 0.00 C ATOM 113 C GLU A 9 -10.261 7.728 0.889 1.00 0.00 C ATOM 114 O GLU A 9 -9.787 8.686 1.497 1.00 0.00 O ATOM 115 CB GLU A 9 -12.662 7.156 1.302 1.00 0.00 C ATOM 116 CG GLU A 9 -14.031 6.886 0.700 1.00 0.00 C ATOM 117 CD GLU A 9 -15.147 6.989 1.722 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.171 7.984 2.477 1.00 0.00 O ATOM 119 OE2 GLU A 9 -15.998 6.076 1.767 1.00 0.00 O ATOM 0 H GLU A 9 -12.433 6.354 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.954 8.815 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.249 6.220 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.776 7.822 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.215 7.595 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.039 5.890 0.257 1.00 0.00 H new ATOM 126 N ALA A 10 -9.595 6.599 0.668 1.00 0.00 N ATOM 127 CA ALA A 10 -8.230 6.392 1.130 1.00 0.00 C ATOM 128 C ALA A 10 -7.354 7.603 0.832 1.00 0.00 C ATOM 129 O ALA A 10 -6.812 8.233 1.741 1.00 0.00 O ATOM 130 CB ALA A 10 -7.659 5.155 0.460 1.00 0.00 C ATOM 0 H ALA A 10 -9.987 5.804 0.164 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.245 6.254 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.637 4.995 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.268 4.288 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.662 5.293 -0.621 1.00 0.00 H new ATOM 136 N ARG A 11 -7.222 7.924 -0.452 1.00 0.00 N ATOM 137 CA ARG A 11 -6.415 9.061 -0.882 1.00 0.00 C ATOM 138 C ARG A 11 -6.810 10.326 -0.125 1.00 0.00 C ATOM 139 O ARG A 11 -5.995 11.229 0.063 1.00 0.00 O ATOM 140 CB ARG A 11 -6.572 9.278 -2.389 1.00 0.00 C ATOM 141 CG ARG A 11 -5.252 9.278 -3.143 1.00 0.00 C ATOM 142 CD ARG A 11 -5.467 9.260 -4.646 1.00 0.00 C ATOM 143 NE ARG A 11 -6.238 10.415 -5.102 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.858 10.474 -6.278 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.802 9.449 -7.120 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.538 11.562 -6.615 1.00 0.00 N ATOM 0 H ARG A 11 -7.665 7.411 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.370 8.842 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.213 8.496 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.079 10.228 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.675 10.161 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.664 8.409 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.501 9.247 -5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.986 8.344 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.305 11.223 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.281 8.609 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.280 9.501 -8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.585 12.353 -5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.013 11.608 -7.516 1.00 0.00 H new ATOM 160 N ALA A 12 -8.064 10.378 0.312 1.00 0.00 N ATOM 161 CA ALA A 12 -8.567 11.527 1.053 1.00 0.00 C ATOM 162 C ALA A 12 -8.395 11.332 2.557 1.00 0.00 C ATOM 163 O ALA A 12 -8.386 12.298 3.319 1.00 0.00 O ATOM 164 CB ALA A 12 -10.029 11.774 0.715 1.00 0.00 C ATOM 0 H ALA A 12 -8.750 9.637 0.165 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.984 12.400 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.392 12.635 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.128 11.969 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.617 10.895 0.979 1.00 0.00 H new ATOM 170 N PHE A 13 -8.257 10.076 2.980 1.00 0.00 N ATOM 171 CA PHE A 13 -8.086 9.765 4.394 1.00 0.00 C ATOM 172 C PHE A 13 -6.667 10.081 4.856 1.00 0.00 C ATOM 173 O PHE A 13 -6.429 10.325 6.039 1.00 0.00 O ATOM 174 CB PHE A 13 -8.409 8.291 4.654 1.00 0.00 C ATOM 175 CG PHE A 13 -9.507 8.088 5.659 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.424 8.656 6.920 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.622 7.329 5.341 1.00 0.00 C ATOM 178 CE1 PHE A 13 -10.432 8.473 7.846 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.634 7.142 6.264 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.540 7.714 7.517 1.00 0.00 C ATOM 0 H PHE A 13 -8.261 9.262 2.365 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.776 10.387 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.695 7.818 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.509 7.786 5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.560 9.249 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.701 6.879 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.355 8.922 8.825 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.498 6.548 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.330 7.569 8.239 1.00 0.00 H new ATOM 190 N LEU A 14 -5.726 10.076 3.916 1.00 0.00 N ATOM 191 CA LEU A 14 -4.331 10.363 4.230 1.00 0.00 C ATOM 192 C LEU A 14 -3.915 11.720 3.676 1.00 0.00 C ATOM 193 O LEU A 14 -4.539 12.245 2.753 1.00 0.00 O ATOM 194 CB LEU A 14 -3.425 9.270 3.662 1.00 0.00 C ATOM 195 CG LEU A 14 -3.929 7.842 3.872 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.106 6.859 3.053 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.886 7.478 5.348 1.00 0.00 C ATOM 0 H LEU A 14 -5.905 9.876 2.932 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.227 10.387 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.299 9.442 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.439 9.362 4.118 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.963 7.786 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.479 5.848 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.186 7.110 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.062 6.914 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.248 6.459 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.861 7.550 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.519 8.164 5.911 1.00 0.00 H new ATOM 209 N SER A 15 -2.852 12.282 4.242 1.00 0.00 N ATOM 210 CA SER A 15 -2.346 13.577 3.803 1.00 0.00 C ATOM 211 C SER A 15 -1.521 13.427 2.533 1.00 0.00 C ATOM 212 O SER A 15 -1.042 12.337 2.221 1.00 0.00 O ATOM 213 CB SER A 15 -1.490 14.213 4.902 1.00 0.00 C ATOM 214 OG SER A 15 -1.708 15.612 4.972 1.00 0.00 O ATOM 0 H SER A 15 -2.324 11.860 5.006 1.00 0.00 H new ATOM 0 HA SER A 15 -3.199 14.223 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.728 13.756 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.436 14.015 4.707 1.00 0.00 H new ATOM 0 HG SER A 15 -1.152 15.995 5.682 1.00 0.00 H new ATOM 220 N GLU A 16 -1.342 14.528 1.807 1.00 0.00 N ATOM 221 CA GLU A 16 -0.554 14.509 0.580 1.00 0.00 C ATOM 222 C GLU A 16 0.791 13.832 0.829 1.00 0.00 C ATOM 223 O GLU A 16 1.387 13.247 -0.075 1.00 0.00 O ATOM 224 CB GLU A 16 -0.338 15.931 0.059 1.00 0.00 C ATOM 225 CG GLU A 16 -0.457 16.051 -1.451 1.00 0.00 C ATOM 226 CD GLU A 16 -0.066 17.424 -1.961 1.00 0.00 C ATOM 227 OE1 GLU A 16 -0.056 18.377 -1.151 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.231 17.548 -3.167 1.00 0.00 O ATOM 0 H GLU A 16 -1.731 15.440 2.047 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.101 13.943 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.066 16.594 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.650 16.275 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.176 15.299 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.483 15.836 -1.749 1.00 0.00 H new ATOM 235 N GLU A 17 1.253 13.914 2.075 1.00 0.00 N ATOM 236 CA GLU A 17 2.515 13.310 2.473 1.00 0.00 C ATOM 237 C GLU A 17 2.468 11.795 2.298 1.00 0.00 C ATOM 238 O GLU A 17 3.295 11.215 1.595 1.00 0.00 O ATOM 239 CB GLU A 17 2.817 13.656 3.932 1.00 0.00 C ATOM 240 CG GLU A 17 3.694 14.886 4.097 1.00 0.00 C ATOM 241 CD GLU A 17 2.887 16.163 4.237 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.313 16.615 3.225 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.830 16.709 5.359 1.00 0.00 O ATOM 0 H GLU A 17 0.765 14.398 2.829 1.00 0.00 H new ATOM 0 HA GLU A 17 3.305 13.706 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.877 13.817 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.307 12.805 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.326 14.762 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.358 14.972 3.237 1.00 0.00 H new ATOM 250 N MET A 18 1.492 11.163 2.943 1.00 0.00 N ATOM 251 CA MET A 18 1.332 9.715 2.863 1.00 0.00 C ATOM 252 C MET A 18 1.144 9.260 1.417 1.00 0.00 C ATOM 253 O MET A 18 1.382 8.097 1.090 1.00 0.00 O ATOM 254 CB MET A 18 0.140 9.266 3.714 1.00 0.00 C ATOM 255 CG MET A 18 0.311 7.884 4.326 1.00 0.00 C ATOM 256 SD MET A 18 1.373 7.891 5.786 1.00 0.00 S ATOM 257 CE MET A 18 0.589 6.629 6.790 1.00 0.00 C ATOM 0 H MET A 18 0.800 11.631 3.527 1.00 0.00 H new ATOM 0 HA MET A 18 2.241 9.254 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.018 9.990 4.513 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.758 9.272 3.097 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.668 7.488 4.596 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.732 7.211 3.579 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.193 6.444 7.678 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.403 6.967 7.090 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.500 5.708 6.213 1.00 0.00 H new ATOM 267 N ILE A 19 0.722 10.181 0.552 1.00 0.00 N ATOM 268 CA ILE A 19 0.514 9.865 -0.858 1.00 0.00 C ATOM 269 C ILE A 19 1.836 9.882 -1.615 1.00 0.00 C ATOM 270 O ILE A 19 2.275 8.862 -2.142 1.00 0.00 O ATOM 271 CB ILE A 19 -0.464 10.858 -1.525 1.00 0.00 C ATOM 272 CG1 ILE A 19 -1.894 10.588 -1.053 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.373 10.766 -3.045 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.920 11.513 -1.672 1.00 0.00 C ATOM 0 H ILE A 19 0.518 11.149 0.803 1.00 0.00 H new ATOM 0 HA ILE A 19 0.081 8.866 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.185 11.870 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.157 9.557 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.935 10.687 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.070 11.473 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.642 11.004 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.626 9.755 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.911 11.264 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.682 12.545 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.907 11.397 -2.756 1.00 0.00 H new ATOM 286 N ALA A 20 2.464 11.051 -1.664 1.00 0.00 N ATOM 287 CA ALA A 20 3.739 11.209 -2.354 1.00 0.00 C ATOM 288 C ALA A 20 4.702 10.085 -1.987 1.00 0.00 C ATOM 289 O ALA A 20 5.565 9.706 -2.780 1.00 0.00 O ATOM 290 CB ALA A 20 4.340 12.564 -2.026 1.00 0.00 C ATOM 0 H ALA A 20 2.110 11.905 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 20 3.562 11.155 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.292 12.675 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.658 13.352 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.502 12.640 -0.951 1.00 0.00 H new ATOM 296 N GLU A 21 4.535 9.545 -0.784 1.00 0.00 N ATOM 297 CA GLU A 21 5.370 8.452 -0.311 1.00 0.00 C ATOM 298 C GLU A 21 4.780 7.116 -0.753 1.00 0.00 C ATOM 299 O GLU A 21 5.506 6.170 -1.052 1.00 0.00 O ATOM 300 CB GLU A 21 5.494 8.502 1.212 1.00 0.00 C ATOM 301 CG GLU A 21 5.926 9.861 1.741 1.00 0.00 C ATOM 302 CD GLU A 21 5.613 10.039 3.214 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.178 9.287 4.036 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.804 10.930 3.545 1.00 0.00 O ATOM 0 H GLU A 21 3.825 9.850 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 21 6.366 8.555 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.534 8.236 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.214 7.750 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.997 9.984 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.428 10.644 1.170 1.00 0.00 H new ATOM 311 N PHE A 22 3.452 7.056 -0.806 1.00 0.00 N ATOM 312 CA PHE A 22 2.754 5.848 -1.230 1.00 0.00 C ATOM 313 C PHE A 22 3.163 5.485 -2.655 1.00 0.00 C ATOM 314 O PHE A 22 3.277 4.310 -3.006 1.00 0.00 O ATOM 315 CB PHE A 22 1.232 6.060 -1.131 1.00 0.00 C ATOM 316 CG PHE A 22 0.469 5.771 -2.399 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.554 6.624 -3.489 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.332 4.645 -2.497 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.147 6.359 -4.651 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.035 4.376 -3.657 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.942 5.233 -4.734 1.00 0.00 C ATOM 0 H PHE A 22 2.838 7.832 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 22 3.028 5.022 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.842 5.424 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.042 7.092 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.175 7.506 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.408 3.969 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.073 7.032 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.657 3.495 -3.720 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.490 5.024 -5.641 1.00 0.00 H new ATOM 331 N LYS A 23 3.384 6.512 -3.465 1.00 0.00 N ATOM 332 CA LYS A 23 3.786 6.330 -4.853 1.00 0.00 C ATOM 333 C LYS A 23 5.216 5.807 -4.941 1.00 0.00 C ATOM 334 O LYS A 23 5.620 5.230 -5.950 1.00 0.00 O ATOM 335 CB LYS A 23 3.662 7.655 -5.604 1.00 0.00 C ATOM 336 CG LYS A 23 2.470 7.697 -6.536 1.00 0.00 C ATOM 337 CD LYS A 23 2.897 7.755 -7.995 1.00 0.00 C ATOM 338 CE LYS A 23 1.987 8.664 -8.807 1.00 0.00 C ATOM 339 NZ LYS A 23 1.132 7.893 -9.752 1.00 0.00 N ATOM 0 H LYS A 23 3.291 7.487 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 23 3.127 5.593 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.582 8.469 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.572 7.827 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.850 6.815 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.856 8.566 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.924 8.114 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.883 6.751 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.354 9.240 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.592 9.379 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.527 8.549 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.735 7.363 -10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.536 7.229 -9.218 1.00 0.00 H new ATOM 353 N ALA A 24 5.972 6.025 -3.872 1.00 0.00 N ATOM 354 CA ALA A 24 7.370 5.597 -3.793 1.00 0.00 C ATOM 355 C ALA A 24 7.594 4.216 -4.410 1.00 0.00 C ATOM 356 O ALA A 24 8.118 4.099 -5.518 1.00 0.00 O ATOM 357 CB ALA A 24 7.833 5.598 -2.343 1.00 0.00 C ATOM 0 H ALA A 24 5.637 6.502 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 24 7.959 6.309 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.874 5.278 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.742 6.604 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.215 4.913 -1.763 1.00 0.00 H new ATOM 363 N ALA A 25 7.211 3.173 -3.679 1.00 0.00 N ATOM 364 CA ALA A 25 7.387 1.800 -4.144 1.00 0.00 C ATOM 365 C ALA A 25 6.344 1.402 -5.189 1.00 0.00 C ATOM 366 O ALA A 25 6.364 0.279 -5.694 1.00 0.00 O ATOM 367 CB ALA A 25 7.344 0.843 -2.963 1.00 0.00 C ATOM 0 H ALA A 25 6.776 3.253 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 25 8.362 1.741 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.476 -0.179 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.143 1.091 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.382 0.931 -2.459 1.00 0.00 H new ATOM 373 N PHE A 26 5.432 2.317 -5.511 1.00 0.00 N ATOM 374 CA PHE A 26 4.389 2.041 -6.497 1.00 0.00 C ATOM 375 C PHE A 26 4.980 1.524 -7.806 1.00 0.00 C ATOM 376 O PHE A 26 4.311 0.820 -8.563 1.00 0.00 O ATOM 377 CB PHE A 26 3.566 3.302 -6.761 1.00 0.00 C ATOM 378 CG PHE A 26 2.192 3.020 -7.297 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.003 2.728 -8.638 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.089 3.048 -6.459 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.739 2.468 -9.133 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.177 2.789 -6.948 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.352 2.499 -8.288 1.00 0.00 C ATOM 0 H PHE A 26 5.394 3.252 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 26 3.742 1.265 -6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.476 3.868 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.101 3.934 -7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.853 2.703 -9.304 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.220 3.275 -5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.605 2.241 -10.180 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.029 2.813 -6.284 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.341 2.297 -8.673 1.00 0.00 H new ATOM 393 N ASP A 27 6.234 1.878 -8.071 1.00 0.00 N ATOM 394 CA ASP A 27 6.907 1.448 -9.292 1.00 0.00 C ATOM 395 C ASP A 27 7.503 0.052 -9.125 1.00 0.00 C ATOM 396 O ASP A 27 7.102 -0.889 -9.809 1.00 0.00 O ATOM 397 CB ASP A 27 8.006 2.441 -9.672 1.00 0.00 C ATOM 398 CG ASP A 27 8.653 2.108 -11.002 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.915 1.941 -11.996 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.898 2.012 -11.049 1.00 0.00 O ATOM 0 H ASP A 27 6.804 2.461 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 27 6.166 1.414 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.584 3.445 -9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.768 2.451 -8.893 1.00 0.00 H new ATOM 405 N MET A 28 8.462 -0.073 -8.212 1.00 0.00 N ATOM 406 CA MET A 28 9.111 -1.354 -7.958 1.00 0.00 C ATOM 407 C MET A 28 8.089 -2.423 -7.579 1.00 0.00 C ATOM 408 O MET A 28 8.320 -3.615 -7.782 1.00 0.00 O ATOM 409 CB MET A 28 10.154 -1.209 -6.847 1.00 0.00 C ATOM 410 CG MET A 28 11.556 -0.932 -7.363 1.00 0.00 C ATOM 411 SD MET A 28 12.713 -0.519 -6.044 1.00 0.00 S ATOM 412 CE MET A 28 13.760 0.676 -6.871 1.00 0.00 C ATOM 0 H MET A 28 8.806 0.696 -7.637 1.00 0.00 H new ATOM 0 HA MET A 28 9.608 -1.667 -8.876 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.854 -0.400 -6.182 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.168 -2.122 -6.252 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.921 -1.808 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.520 -0.111 -8.079 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.528 1.026 -6.181 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.233 0.209 -7.735 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.157 1.522 -7.201 1.00 0.00 H new ATOM 422 N PHE A 29 6.957 -1.988 -7.034 1.00 0.00 N ATOM 423 CA PHE A 29 5.896 -2.908 -6.633 1.00 0.00 C ATOM 424 C PHE A 29 5.474 -3.795 -7.799 1.00 0.00 C ATOM 425 O PHE A 29 5.673 -5.011 -7.773 1.00 0.00 O ATOM 426 CB PHE A 29 4.685 -2.125 -6.118 1.00 0.00 C ATOM 427 CG PHE A 29 4.644 -1.989 -4.623 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.815 -3.095 -3.808 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.432 -0.753 -4.034 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.776 -2.970 -2.432 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.390 -0.624 -2.659 1.00 0.00 C ATOM 432 CZ PHE A 29 4.563 -1.734 -1.858 1.00 0.00 C ATOM 0 H PHE A 29 6.750 -1.005 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 29 6.283 -3.543 -5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.690 -1.131 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.774 -2.620 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.981 -4.066 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.298 0.119 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.912 -3.840 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.222 0.345 -2.212 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.532 -1.635 -0.783 1.00 0.00 H new ATOM 442 N ASP A 30 4.889 -3.178 -8.820 1.00 0.00 N ATOM 443 CA ASP A 30 4.434 -3.903 -9.997 1.00 0.00 C ATOM 444 C ASP A 30 5.591 -4.625 -10.677 1.00 0.00 C ATOM 445 O ASP A 30 6.563 -4.002 -11.104 1.00 0.00 O ATOM 446 CB ASP A 30 3.766 -2.947 -10.986 1.00 0.00 C ATOM 447 CG ASP A 30 2.328 -2.644 -10.612 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.548 -3.601 -10.424 1.00 0.00 O ATOM 449 OD2 ASP A 30 1.982 -1.448 -10.506 1.00 0.00 O ATOM 0 H ASP A 30 4.719 -2.173 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 30 3.707 -4.647 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.332 -2.016 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.795 -3.382 -11.985 1.00 0.00 H new ATOM 454 N ALA A 31 5.476 -5.942 -10.773 1.00 0.00 N ATOM 455 CA ALA A 31 6.505 -6.760 -11.401 1.00 0.00 C ATOM 456 C ALA A 31 6.249 -6.902 -12.897 1.00 0.00 C ATOM 457 O ALA A 31 7.140 -6.669 -13.715 1.00 0.00 O ATOM 458 CB ALA A 31 6.562 -8.129 -10.742 1.00 0.00 C ATOM 0 H ALA A 31 4.676 -6.469 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 31 7.466 -6.264 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.335 -8.731 -11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.795 -8.014 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.597 -8.625 -10.849 1.00 0.00 H new ATOM 464 N ASP A 32 5.026 -7.286 -13.246 1.00 0.00 N ATOM 465 CA ASP A 32 4.648 -7.460 -14.643 1.00 0.00 C ATOM 466 C ASP A 32 4.139 -6.150 -15.234 1.00 0.00 C ATOM 467 O ASP A 32 4.249 -5.917 -16.438 1.00 0.00 O ATOM 468 CB ASP A 32 3.574 -8.541 -14.770 1.00 0.00 C ATOM 469 CG ASP A 32 2.345 -8.236 -13.935 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.503 -7.694 -12.822 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.224 -8.539 -14.396 1.00 0.00 O ATOM 0 H ASP A 32 4.279 -7.483 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 32 5.533 -7.770 -15.199 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.284 -8.640 -15.816 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.990 -9.500 -14.462 1.00 0.00 H new ATOM 497 N ASP A 36 -1.699 -5.780 -10.583 1.00 0.00 N ATOM 498 CA ASP A 36 -1.806 -5.298 -9.209 1.00 0.00 C ATOM 499 C ASP A 36 -0.678 -5.852 -8.346 1.00 0.00 C ATOM 500 O ASP A 36 0.196 -6.569 -8.832 1.00 0.00 O ATOM 501 CB ASP A 36 -3.158 -5.688 -8.612 1.00 0.00 C ATOM 502 CG ASP A 36 -4.298 -4.865 -9.177 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.032 -3.769 -9.712 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.459 -5.317 -9.084 1.00 0.00 O ATOM 0 HA ASP A 36 -1.724 -4.211 -9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.346 -6.744 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.124 -5.562 -7.530 1.00 0.00 H new ATOM 509 N ILE A 37 -0.704 -5.511 -7.062 1.00 0.00 N ATOM 510 CA ILE A 37 0.315 -5.969 -6.127 1.00 0.00 C ATOM 511 C ILE A 37 -0.155 -7.202 -5.357 1.00 0.00 C ATOM 512 O ILE A 37 -1.136 -7.149 -4.616 1.00 0.00 O ATOM 513 CB ILE A 37 0.691 -4.851 -5.133 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.423 -3.725 -5.864 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.548 -5.392 -3.996 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.726 -2.536 -4.981 1.00 0.00 C ATOM 0 H ILE A 37 -1.422 -4.918 -6.645 1.00 0.00 H new ATOM 0 HA ILE A 37 1.195 -6.237 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.228 -4.455 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.356 -4.113 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.818 -3.396 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.798 -4.582 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.996 -6.163 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.465 -5.819 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.246 -1.774 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.794 -2.124 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.357 -2.851 -4.150 1.00 0.00 H new ATOM 528 N SER A 38 0.558 -8.309 -5.537 1.00 0.00 N ATOM 529 CA SER A 38 0.224 -9.556 -4.860 1.00 0.00 C ATOM 530 C SER A 38 0.969 -9.665 -3.531 1.00 0.00 C ATOM 531 O SER A 38 1.494 -8.676 -3.022 1.00 0.00 O ATOM 532 CB SER A 38 0.563 -10.752 -5.754 1.00 0.00 C ATOM 533 OG SER A 38 1.944 -11.063 -5.686 1.00 0.00 O ATOM 0 H SER A 38 1.373 -8.367 -6.148 1.00 0.00 H new ATOM 0 HA SER A 38 -0.847 -9.559 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.024 -11.618 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.287 -10.530 -6.785 1.00 0.00 H new ATOM 0 HG SER A 38 2.135 -11.831 -6.264 1.00 0.00 H new ATOM 539 N THR A 39 1.010 -10.872 -2.975 1.00 0.00 N ATOM 540 CA THR A 39 1.691 -11.104 -1.705 1.00 0.00 C ATOM 541 C THR A 39 3.196 -10.894 -1.844 1.00 0.00 C ATOM 542 O THR A 39 3.791 -10.098 -1.118 1.00 0.00 O ATOM 543 CB THR A 39 1.408 -12.521 -1.203 1.00 0.00 C ATOM 544 OG1 THR A 39 1.206 -13.407 -2.290 1.00 0.00 O ATOM 545 CG2 THR A 39 0.191 -12.609 -0.308 1.00 0.00 C ATOM 0 H THR A 39 0.581 -11.703 -3.382 1.00 0.00 H new ATOM 0 HA THR A 39 1.308 -10.384 -0.981 1.00 0.00 H new ATOM 0 HB THR A 39 2.287 -12.801 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.477 -14.026 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.048 -13.641 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.336 -11.975 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.689 -12.274 -0.857 1.00 0.00 H new ATOM 553 N LYS A 40 3.806 -11.616 -2.778 1.00 0.00 N ATOM 554 CA LYS A 40 5.243 -11.513 -3.009 1.00 0.00 C ATOM 555 C LYS A 40 5.632 -10.098 -3.430 1.00 0.00 C ATOM 556 O LYS A 40 6.696 -9.603 -3.060 1.00 0.00 O ATOM 557 CB LYS A 40 5.681 -12.514 -4.081 1.00 0.00 C ATOM 558 CG LYS A 40 6.066 -13.873 -3.521 1.00 0.00 C ATOM 559 CD LYS A 40 7.204 -14.499 -4.312 1.00 0.00 C ATOM 560 CE LYS A 40 6.701 -15.154 -5.587 1.00 0.00 C ATOM 561 NZ LYS A 40 5.723 -16.242 -5.304 1.00 0.00 N ATOM 0 H LYS A 40 3.328 -12.279 -3.388 1.00 0.00 H new ATOM 0 HA LYS A 40 5.751 -11.745 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.871 -12.642 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.529 -12.101 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.362 -13.767 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.200 -14.535 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.940 -13.734 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.711 -15.241 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.233 -14.401 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.545 -15.560 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.723 -16.922 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.991 -16.730 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.772 -15.835 -5.198 1.00 0.00 H new ATOM 575 N GLU A 41 4.764 -9.455 -4.204 1.00 0.00 N ATOM 576 CA GLU A 41 5.019 -8.097 -4.676 1.00 0.00 C ATOM 577 C GLU A 41 5.263 -7.144 -3.510 1.00 0.00 C ATOM 578 O GLU A 41 5.904 -6.106 -3.671 1.00 0.00 O ATOM 579 CB GLU A 41 3.842 -7.597 -5.516 1.00 0.00 C ATOM 580 CG GLU A 41 3.859 -8.106 -6.947 1.00 0.00 C ATOM 581 CD GLU A 41 3.166 -7.163 -7.911 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.352 -5.936 -7.779 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.434 -7.653 -8.798 1.00 0.00 O ATOM 0 H GLU A 41 3.878 -9.851 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 41 5.917 -8.122 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.910 -7.904 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.850 -6.507 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.892 -8.250 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.374 -9.081 -6.987 1.00 0.00 H new ATOM 590 N LEU A 42 4.745 -7.498 -2.338 1.00 0.00 N ATOM 591 CA LEU A 42 4.908 -6.664 -1.154 1.00 0.00 C ATOM 592 C LEU A 42 6.254 -6.913 -0.482 1.00 0.00 C ATOM 593 O LEU A 42 7.047 -5.990 -0.301 1.00 0.00 O ATOM 594 CB LEU A 42 3.767 -6.915 -0.166 1.00 0.00 C ATOM 595 CG LEU A 42 2.980 -5.666 0.233 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.913 -4.606 0.799 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.213 -5.119 -0.960 1.00 0.00 C ATOM 0 H LEU A 42 4.211 -8.353 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 42 4.879 -5.622 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.078 -7.637 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.178 -7.372 0.734 1.00 0.00 H new ATOM 0 HG LEU A 42 2.264 -5.942 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.336 -3.724 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.420 -5.000 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.652 -4.333 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.658 -4.230 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.913 -4.859 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.517 -5.875 -1.323 1.00 0.00 H new ATOM 609 N GLY A 43 6.508 -8.166 -0.114 1.00 0.00 N ATOM 610 CA GLY A 43 7.762 -8.511 0.536 1.00 0.00 C ATOM 611 C GLY A 43 8.972 -7.966 -0.200 1.00 0.00 C ATOM 612 O GLY A 43 10.016 -7.722 0.403 1.00 0.00 O ATOM 0 H GLY A 43 5.869 -8.948 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.757 -8.124 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.843 -9.596 0.607 1.00 0.00 H new ATOM 616 N THR A 44 8.831 -7.778 -1.508 1.00 0.00 N ATOM 617 CA THR A 44 9.917 -7.260 -2.334 1.00 0.00 C ATOM 618 C THR A 44 10.428 -5.923 -1.795 1.00 0.00 C ATOM 619 O THR A 44 11.474 -5.859 -1.149 1.00 0.00 O ATOM 620 CB THR A 44 9.441 -7.104 -3.787 1.00 0.00 C ATOM 621 OG1 THR A 44 9.569 -8.327 -4.487 1.00 0.00 O ATOM 622 CG2 THR A 44 10.194 -6.047 -4.574 1.00 0.00 C ATOM 0 H THR A 44 7.972 -7.977 -2.021 1.00 0.00 H new ATOM 0 HA THR A 44 10.742 -7.972 -2.303 1.00 0.00 H new ATOM 0 HB THR A 44 8.400 -6.791 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.260 -8.210 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.799 -5.999 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.072 -5.078 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.253 -6.305 -4.609 1.00 0.00 H new ATOM 630 N VAL A 45 9.685 -4.863 -2.082 1.00 0.00 N ATOM 631 CA VAL A 45 10.051 -3.522 -1.650 1.00 0.00 C ATOM 632 C VAL A 45 10.075 -3.404 -0.129 1.00 0.00 C ATOM 633 O VAL A 45 10.780 -2.561 0.424 1.00 0.00 O ATOM 634 CB VAL A 45 9.071 -2.483 -2.224 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.653 -2.792 -1.774 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.477 -1.071 -1.827 1.00 0.00 C ATOM 0 H VAL A 45 8.818 -4.908 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 45 11.055 -3.328 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 45 9.106 -2.541 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.970 -2.049 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.367 -3.783 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.603 -2.765 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.768 -0.357 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.480 -0.985 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.475 -0.858 -2.210 1.00 0.00 H new ATOM 646 N MET A 46 9.299 -4.245 0.543 1.00 0.00 N ATOM 647 CA MET A 46 9.235 -4.219 2.000 1.00 0.00 C ATOM 648 C MET A 46 10.484 -4.837 2.622 1.00 0.00 C ATOM 649 O MET A 46 10.900 -4.447 3.712 1.00 0.00 O ATOM 650 CB MET A 46 7.988 -4.959 2.489 1.00 0.00 C ATOM 651 CG MET A 46 6.764 -4.067 2.622 1.00 0.00 C ATOM 652 SD MET A 46 6.980 -2.767 3.852 1.00 0.00 S ATOM 653 CE MET A 46 5.329 -2.672 4.541 1.00 0.00 C ATOM 0 H MET A 46 8.707 -4.951 0.105 1.00 0.00 H new ATOM 0 HA MET A 46 9.180 -3.176 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.762 -5.770 1.797 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.202 -5.415 3.456 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.543 -3.614 1.656 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.902 -4.677 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.298 -1.896 5.306 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.618 -2.431 3.751 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.065 -3.631 4.986 1.00 0.00 H new ATOM 663 N ARG A 47 11.076 -5.807 1.929 1.00 0.00 N ATOM 664 CA ARG A 47 12.272 -6.480 2.427 1.00 0.00 C ATOM 665 C ARG A 47 13.544 -5.747 2.012 1.00 0.00 C ATOM 666 O ARG A 47 14.558 -5.807 2.707 1.00 0.00 O ATOM 667 CB ARG A 47 12.318 -7.924 1.922 1.00 0.00 C ATOM 668 CG ARG A 47 11.276 -8.826 2.560 1.00 0.00 C ATOM 669 CD ARG A 47 11.091 -10.114 1.772 1.00 0.00 C ATOM 670 NE ARG A 47 11.645 -11.270 2.475 1.00 0.00 N ATOM 671 CZ ARG A 47 12.930 -11.620 2.434 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.798 -10.905 1.728 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.347 -12.686 3.101 1.00 0.00 N ATOM 0 H ARG A 47 10.748 -6.143 1.024 1.00 0.00 H new ATOM 0 HA ARG A 47 12.221 -6.478 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.176 -7.927 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.309 -8.336 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.576 -9.063 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.325 -8.297 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.029 -10.277 1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.573 -10.016 0.799 1.00 0.00 H new ATOM 0 HE ARG A 47 11.010 -11.843 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.482 -10.083 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.780 -11.178 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.684 -13.238 3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.331 -12.954 3.070 1.00 0.00 H new ATOM 687 N MET A 48 13.491 -5.059 0.876 1.00 0.00 N ATOM 688 CA MET A 48 14.649 -4.324 0.378 1.00 0.00 C ATOM 689 C MET A 48 14.656 -2.881 0.879 1.00 0.00 C ATOM 690 O MET A 48 15.449 -2.061 0.417 1.00 0.00 O ATOM 691 CB MET A 48 14.676 -4.345 -1.151 1.00 0.00 C ATOM 692 CG MET A 48 13.478 -3.658 -1.788 1.00 0.00 C ATOM 693 SD MET A 48 13.949 -2.481 -3.071 1.00 0.00 S ATOM 694 CE MET A 48 12.595 -1.315 -2.968 1.00 0.00 C ATOM 0 H MET A 48 12.662 -4.995 0.285 1.00 0.00 H new ATOM 0 HA MET A 48 15.542 -4.819 0.761 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.589 -3.861 -1.497 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.715 -5.380 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.818 -4.412 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.909 -3.139 -1.016 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.862 -0.400 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.705 -1.750 -3.422 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.393 -1.084 -1.922 1.00 0.00 H new ATOM 704 N LEU A 49 13.771 -2.571 1.823 1.00 0.00 N ATOM 705 CA LEU A 49 13.688 -1.225 2.376 1.00 0.00 C ATOM 706 C LEU A 49 13.959 -1.230 3.877 1.00 0.00 C ATOM 707 O LEU A 49 14.627 -0.340 4.400 1.00 0.00 O ATOM 708 CB LEU A 49 12.311 -0.620 2.096 1.00 0.00 C ATOM 709 CG LEU A 49 12.118 -0.073 0.681 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.766 0.611 0.555 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.242 0.888 0.320 1.00 0.00 C ATOM 0 H LEU A 49 13.103 -3.233 2.219 1.00 0.00 H new ATOM 0 HA LEU A 49 14.451 -0.616 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.553 -1.381 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.134 0.186 2.808 1.00 0.00 H new ATOM 0 HG LEU A 49 12.146 -0.909 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.645 0.994 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.974 -0.107 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.708 1.436 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.087 1.266 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.248 1.721 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.197 0.365 0.369 1.00 0.00 H new ATOM 723 N GLY A 50 13.435 -2.240 4.565 1.00 0.00 N ATOM 724 CA GLY A 50 13.634 -2.339 5.999 1.00 0.00 C ATOM 725 C GLY A 50 12.629 -3.259 6.663 1.00 0.00 C ATOM 726 O GLY A 50 12.955 -3.951 7.628 1.00 0.00 O ATOM 0 H GLY A 50 12.877 -2.990 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.642 -2.703 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.560 -1.346 6.442 1.00 0.00 H new ATOM 730 N GLN A 51 11.404 -3.268 6.147 1.00 0.00 N ATOM 731 CA GLN A 51 10.349 -4.112 6.698 1.00 0.00 C ATOM 732 C GLN A 51 10.651 -5.586 6.452 1.00 0.00 C ATOM 733 O GLN A 51 11.441 -5.930 5.573 1.00 0.00 O ATOM 734 CB GLN A 51 8.999 -3.743 6.081 1.00 0.00 C ATOM 735 CG GLN A 51 7.857 -3.728 7.084 1.00 0.00 C ATOM 736 CD GLN A 51 7.679 -2.375 7.745 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.642 -1.768 8.213 1.00 0.00 O ATOM 738 NE2 GLN A 51 6.442 -1.895 7.785 1.00 0.00 N ATOM 0 H GLN A 51 11.117 -2.701 5.349 1.00 0.00 H new ATOM 0 HA GLN A 51 10.305 -3.944 7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.077 -2.760 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.765 -4.452 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.932 -4.006 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.041 -4.481 7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.673 -2.432 7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.260 -0.989 8.216 1.00 0.00 H new ATOM 747 N ASN A 52 10.021 -6.454 7.235 1.00 0.00 N ATOM 748 CA ASN A 52 10.229 -7.891 7.094 1.00 0.00 C ATOM 749 C ASN A 52 8.941 -8.666 7.359 1.00 0.00 C ATOM 750 O ASN A 52 8.928 -9.619 8.140 1.00 0.00 O ATOM 751 CB ASN A 52 11.326 -8.358 8.050 1.00 0.00 C ATOM 752 CG ASN A 52 12.209 -9.428 7.440 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.768 -10.204 6.592 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.464 -9.475 7.869 1.00 0.00 N ATOM 0 H ASN A 52 9.365 -6.190 7.970 1.00 0.00 H new ATOM 0 HA ASN A 52 10.537 -8.088 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.940 -7.505 8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.869 -8.744 8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.105 -10.174 7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.787 -8.812 8.573 1.00 0.00 H new ATOM 761 N PRO A 53 7.833 -8.272 6.708 1.00 0.00 N ATOM 762 CA PRO A 53 6.541 -8.943 6.878 1.00 0.00 C ATOM 763 C PRO A 53 6.502 -10.297 6.181 1.00 0.00 C ATOM 764 O PRO A 53 6.454 -10.372 4.952 1.00 0.00 O ATOM 765 CB PRO A 53 5.557 -7.972 6.226 1.00 0.00 C ATOM 766 CG PRO A 53 6.362 -7.268 5.190 1.00 0.00 C ATOM 767 CD PRO A 53 7.752 -7.149 5.755 1.00 0.00 C ATOM 0 HA PRO A 53 6.319 -9.157 7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.713 -8.500 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.148 -7.272 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.368 -7.827 4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.944 -6.285 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.510 -7.228 4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.903 -6.190 6.251 1.00 0.00 H new ATOM 775 N THR A 54 6.525 -11.367 6.969 1.00 0.00 N ATOM 776 CA THR A 54 6.495 -12.720 6.426 1.00 0.00 C ATOM 777 C THR A 54 5.256 -12.935 5.562 1.00 0.00 C ATOM 778 O THR A 54 4.439 -12.030 5.395 1.00 0.00 O ATOM 779 CB THR A 54 6.523 -13.747 7.559 1.00 0.00 C ATOM 780 OG1 THR A 54 7.126 -13.199 8.719 1.00 0.00 O ATOM 781 CG2 THR A 54 7.277 -15.010 7.203 1.00 0.00 C ATOM 0 H THR A 54 6.564 -11.323 7.987 1.00 0.00 H new ATOM 0 HA THR A 54 7.378 -12.852 5.801 1.00 0.00 H new ATOM 0 HB THR A 54 5.480 -14.005 7.741 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.133 -13.871 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.259 -15.696 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.806 -15.484 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.310 -14.761 6.960 1.00 0.00 H new ATOM 789 N LYS A 55 5.123 -14.140 5.016 1.00 0.00 N ATOM 790 CA LYS A 55 3.983 -14.475 4.169 1.00 0.00 C ATOM 791 C LYS A 55 2.669 -14.233 4.906 1.00 0.00 C ATOM 792 O LYS A 55 1.746 -13.626 4.365 1.00 0.00 O ATOM 793 CB LYS A 55 4.068 -15.935 3.718 1.00 0.00 C ATOM 794 CG LYS A 55 3.012 -16.314 2.692 1.00 0.00 C ATOM 795 CD LYS A 55 3.359 -15.781 1.311 1.00 0.00 C ATOM 796 CE LYS A 55 2.117 -15.598 0.456 1.00 0.00 C ATOM 797 NZ LYS A 55 2.361 -15.972 -0.966 1.00 0.00 N ATOM 0 H LYS A 55 5.790 -14.901 5.145 1.00 0.00 H new ATOM 0 HA LYS A 55 4.011 -13.829 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.056 -16.120 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.967 -16.583 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.916 -17.399 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.044 -15.920 3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.879 -14.828 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.044 -16.469 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.307 -16.207 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.791 -14.559 0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.013 -15.215 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.381 -16.105 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.860 -16.857 -1.183 1.00 0.00 H new ATOM 811 N CYS A 56 2.596 -14.708 6.145 1.00 0.00 N ATOM 812 CA CYS A 56 1.397 -14.540 6.957 1.00 0.00 C ATOM 813 C CYS A 56 1.195 -13.073 7.322 1.00 0.00 C ATOM 814 O CYS A 56 0.066 -12.610 7.473 1.00 0.00 O ATOM 815 CB CYS A 56 1.491 -15.388 8.228 1.00 0.00 C ATOM 816 SG CYS A 56 -0.072 -16.150 8.723 1.00 0.00 S ATOM 0 H CYS A 56 3.352 -15.212 6.608 1.00 0.00 H new ATOM 0 HA CYS A 56 0.540 -14.874 6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.233 -16.172 8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.852 -14.762 9.044 1.00 0.00 H new ATOM 0 HG CYS A 56 0.109 -16.848 9.805 1.00 0.00 H new ATOM 822 N GLU A 57 2.300 -12.348 7.461 1.00 0.00 N ATOM 823 CA GLU A 57 2.249 -10.933 7.807 1.00 0.00 C ATOM 824 C GLU A 57 1.484 -10.145 6.747 1.00 0.00 C ATOM 825 O GLU A 57 0.520 -9.445 7.054 1.00 0.00 O ATOM 826 CB GLU A 57 3.665 -10.372 7.958 1.00 0.00 C ATOM 827 CG GLU A 57 3.872 -9.584 9.241 1.00 0.00 C ATOM 828 CD GLU A 57 3.976 -8.090 9.000 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.072 -7.531 8.345 1.00 0.00 O ATOM 830 OE2 GLU A 57 4.963 -7.482 9.464 1.00 0.00 O ATOM 0 H GLU A 57 3.243 -12.718 7.339 1.00 0.00 H new ATOM 0 HA GLU A 57 1.725 -10.833 8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.378 -11.195 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.885 -9.728 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.044 -9.781 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.779 -9.932 9.734 1.00 0.00 H new ATOM 837 N LEU A 58 1.922 -10.267 5.497 1.00 0.00 N ATOM 838 CA LEU A 58 1.278 -9.570 4.391 1.00 0.00 C ATOM 839 C LEU A 58 -0.062 -10.217 4.055 1.00 0.00 C ATOM 840 O LEU A 58 -0.998 -9.542 3.625 1.00 0.00 O ATOM 841 CB LEU A 58 2.187 -9.574 3.159 1.00 0.00 C ATOM 842 CG LEU A 58 3.649 -9.214 3.434 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.555 -9.805 2.365 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.823 -7.704 3.507 1.00 0.00 C ATOM 0 H LEU A 58 2.720 -10.842 5.226 1.00 0.00 H new ATOM 0 HA LEU A 58 1.099 -8.538 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.152 -10.563 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.787 -8.871 2.428 1.00 0.00 H new ATOM 0 HG LEU A 58 3.932 -9.639 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.590 -9.538 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.453 -10.890 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.272 -9.411 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.869 -7.467 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.521 -7.257 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.204 -7.305 4.310 1.00 0.00 H new ATOM 856 N ASP A 59 -0.149 -11.528 4.260 1.00 0.00 N ATOM 857 CA ASP A 59 -1.376 -12.266 3.986 1.00 0.00 C ATOM 858 C ASP A 59 -2.503 -11.801 4.896 1.00 0.00 C ATOM 859 O ASP A 59 -3.678 -11.895 4.542 1.00 0.00 O ATOM 860 CB ASP A 59 -1.147 -13.768 4.161 1.00 0.00 C ATOM 861 CG ASP A 59 -2.350 -14.589 3.743 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.695 -14.567 2.543 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.949 -15.252 4.616 1.00 0.00 O ATOM 0 H ASP A 59 0.617 -12.101 4.615 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.663 -12.071 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.281 -14.072 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.912 -13.978 5.205 1.00 0.00 H new ATOM 868 N ALA A 60 -2.141 -11.295 6.069 1.00 0.00 N ATOM 869 CA ALA A 60 -3.130 -10.814 7.017 1.00 0.00 C ATOM 870 C ALA A 60 -3.675 -9.457 6.588 1.00 0.00 C ATOM 871 O ALA A 60 -4.825 -9.121 6.867 1.00 0.00 O ATOM 872 CB ALA A 60 -2.535 -10.735 8.415 1.00 0.00 C ATOM 0 H ALA A 60 -1.174 -11.209 6.382 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.958 -11.522 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.291 -10.373 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.201 -11.725 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.687 -10.050 8.411 1.00 0.00 H new ATOM 878 N ILE A 61 -2.840 -8.684 5.901 1.00 0.00 N ATOM 879 CA ILE A 61 -3.235 -7.370 5.424 1.00 0.00 C ATOM 880 C ILE A 61 -4.000 -7.490 4.108 1.00 0.00 C ATOM 881 O ILE A 61 -5.166 -7.103 4.022 1.00 0.00 O ATOM 882 CB ILE A 61 -2.002 -6.457 5.238 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.486 -5.983 6.598 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.331 -5.266 4.352 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.391 -6.858 7.167 1.00 0.00 C ATOM 0 H ILE A 61 -1.884 -8.949 5.663 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.887 -6.920 6.173 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.221 -7.037 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.112 -4.964 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.317 -5.951 7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.445 -4.641 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.654 -5.619 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.130 -4.683 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.074 -6.462 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.767 -7.873 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.457 -6.870 6.483 1.00 0.00 H new ATOM 897 N ILE A 62 -3.339 -8.039 3.088 1.00 0.00 N ATOM 898 CA ILE A 62 -3.956 -8.223 1.774 1.00 0.00 C ATOM 899 C ILE A 62 -5.380 -8.755 1.905 1.00 0.00 C ATOM 900 O ILE A 62 -6.294 -8.287 1.226 1.00 0.00 O ATOM 901 CB ILE A 62 -3.132 -9.187 0.898 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.730 -8.619 0.670 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.836 -9.441 -0.432 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.886 -9.450 -0.270 1.00 0.00 C ATOM 0 H ILE A 62 -2.374 -8.365 3.147 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.982 -7.244 1.295 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.041 -10.141 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.817 -7.609 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.219 -8.539 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.238 -10.124 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.815 -9.883 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.958 -8.498 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.094 -8.987 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.768 -10.454 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.375 -9.509 -1.242 1.00 0.00 H new ATOM 916 N CYS A 63 -5.563 -9.731 2.789 1.00 0.00 N ATOM 917 CA CYS A 63 -6.878 -10.319 3.015 1.00 0.00 C ATOM 918 C CYS A 63 -7.878 -9.238 3.409 1.00 0.00 C ATOM 919 O CYS A 63 -8.995 -9.192 2.893 1.00 0.00 O ATOM 920 CB CYS A 63 -6.802 -11.391 4.105 1.00 0.00 C ATOM 921 SG CYS A 63 -8.207 -12.528 4.119 1.00 0.00 S ATOM 0 H CYS A 63 -4.818 -10.131 3.360 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.213 -10.787 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.885 -11.965 3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.734 -10.902 5.077 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.052 -13.398 5.072 1.00 0.00 H new ATOM 927 N GLU A 64 -7.460 -8.359 4.314 1.00 0.00 N ATOM 928 CA GLU A 64 -8.309 -7.264 4.762 1.00 0.00 C ATOM 929 C GLU A 64 -8.406 -6.201 3.674 1.00 0.00 C ATOM 930 O GLU A 64 -9.431 -5.537 3.523 1.00 0.00 O ATOM 931 CB GLU A 64 -7.758 -6.651 6.051 1.00 0.00 C ATOM 932 CG GLU A 64 -8.835 -6.284 7.060 1.00 0.00 C ATOM 933 CD GLU A 64 -8.260 -5.743 8.354 1.00 0.00 C ATOM 934 OE1 GLU A 64 -7.443 -6.450 8.982 1.00 0.00 O ATOM 935 OE2 GLU A 64 -8.626 -4.612 8.740 1.00 0.00 O ATOM 0 H GLU A 64 -6.539 -8.385 4.751 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.306 -7.656 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.066 -7.356 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.185 -5.758 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.499 -5.539 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.441 -7.164 7.276 1.00 0.00 H new ATOM 942 N VAL A 65 -7.326 -6.057 2.910 1.00 0.00 N ATOM 943 CA VAL A 65 -7.277 -5.089 1.823 1.00 0.00 C ATOM 944 C VAL A 65 -8.267 -5.468 0.726 1.00 0.00 C ATOM 945 O VAL A 65 -9.017 -4.626 0.230 1.00 0.00 O ATOM 946 CB VAL A 65 -5.861 -5.002 1.214 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.848 -4.089 -0.005 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.856 -4.526 2.255 1.00 0.00 C ATOM 0 H VAL A 65 -6.471 -6.602 3.026 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.543 -4.117 2.239 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.570 -6.001 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.839 -4.045 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.530 -4.480 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.165 -3.088 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.865 -4.472 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.146 -3.539 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.838 -5.226 3.090 1.00 0.00 H new ATOM 958 N ASP A 66 -8.257 -6.742 0.352 1.00 0.00 N ATOM 959 CA ASP A 66 -9.145 -7.245 -0.687 1.00 0.00 C ATOM 960 C ASP A 66 -10.517 -7.588 -0.117 1.00 0.00 C ATOM 961 O ASP A 66 -10.707 -8.653 0.473 1.00 0.00 O ATOM 962 CB ASP A 66 -8.534 -8.478 -1.351 1.00 0.00 C ATOM 963 CG ASP A 66 -7.386 -8.125 -2.277 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.429 -7.469 -1.814 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.444 -8.503 -3.465 1.00 0.00 O ATOM 0 H ASP A 66 -7.641 -7.448 0.755 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.271 -6.460 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.179 -9.164 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.305 -9.003 -1.915 1.00 0.00 H new ATOM 970 N GLU A 67 -11.472 -6.683 -0.300 1.00 0.00 N ATOM 971 CA GLU A 67 -12.829 -6.893 0.192 1.00 0.00 C ATOM 972 C GLU A 67 -13.547 -7.953 -0.639 1.00 0.00 C ATOM 973 O GLU A 67 -14.447 -8.636 -0.149 1.00 0.00 O ATOM 974 CB GLU A 67 -13.613 -5.579 0.160 1.00 0.00 C ATOM 975 CG GLU A 67 -13.802 -4.952 1.532 1.00 0.00 C ATOM 976 CD GLU A 67 -15.175 -5.226 2.112 1.00 0.00 C ATOM 977 OE1 GLU A 67 -16.171 -4.735 1.540 1.00 0.00 O ATOM 978 OE2 GLU A 67 -15.255 -5.931 3.141 1.00 0.00 O ATOM 0 H GLU A 67 -11.332 -5.797 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.769 -7.245 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.094 -4.871 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.591 -5.759 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.041 -5.336 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.650 -3.875 1.460 1.00 0.00 H new ATOM 985 N ASP A 68 -13.144 -8.084 -1.899 1.00 0.00 N ATOM 986 CA ASP A 68 -13.748 -9.058 -2.799 1.00 0.00 C ATOM 987 C ASP A 68 -13.136 -10.442 -2.598 1.00 0.00 C ATOM 988 O ASP A 68 -13.797 -11.460 -2.806 1.00 0.00 O ATOM 989 CB ASP A 68 -13.569 -8.616 -4.253 1.00 0.00 C ATOM 990 CG ASP A 68 -12.110 -8.521 -4.655 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.415 -7.608 -4.160 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.662 -9.361 -5.465 1.00 0.00 O ATOM 0 H ASP A 68 -12.401 -7.527 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.812 -9.116 -2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.078 -9.322 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.046 -7.646 -4.396 1.00 0.00 H new ATOM 997 N GLY A 69 -11.869 -10.472 -2.196 1.00 0.00 N ATOM 998 CA GLY A 69 -11.191 -11.736 -1.977 1.00 0.00 C ATOM 999 C GLY A 69 -10.399 -12.182 -3.190 1.00 0.00 C ATOM 1000 O GLY A 69 -10.558 -13.306 -3.665 1.00 0.00 O ATOM 0 H GLY A 69 -11.300 -9.644 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.521 -11.643 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.925 -12.501 -1.724 1.00 0.00 H new ATOM 1004 N SER A 70 -9.545 -11.297 -3.693 1.00 0.00 N ATOM 1005 CA SER A 70 -8.726 -11.600 -4.860 1.00 0.00 C ATOM 1006 C SER A 70 -7.254 -11.729 -4.481 1.00 0.00 C ATOM 1007 O SER A 70 -6.488 -12.418 -5.156 1.00 0.00 O ATOM 1008 CB SER A 70 -8.893 -10.509 -5.920 1.00 0.00 C ATOM 1009 OG SER A 70 -9.153 -9.251 -5.321 1.00 0.00 O ATOM 0 H SER A 70 -9.402 -10.363 -3.310 1.00 0.00 H new ATOM 0 HA SER A 70 -9.061 -12.554 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.990 -10.446 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.711 -10.772 -6.591 1.00 0.00 H new ATOM 0 HG SER A 70 -8.396 -8.996 -4.754 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.861 -11.057 -3.404 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.479 -11.107 -2.962 1.00 0.00 C ATOM 1017 C GLY A 71 -4.602 -10.090 -3.672 1.00 0.00 C ATOM 1018 O GLY A 71 -3.428 -9.937 -3.338 1.00 0.00 O ATOM 0 H GLY A 71 -7.474 -10.479 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.438 -10.929 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.082 -12.107 -3.135 1.00 0.00 H new ATOM 1022 N THR A 72 -5.172 -9.393 -4.653 1.00 0.00 N ATOM 1023 CA THR A 72 -4.431 -8.388 -5.406 1.00 0.00 C ATOM 1024 C THR A 72 -4.844 -6.981 -4.986 1.00 0.00 C ATOM 1025 O THR A 72 -5.988 -6.748 -4.596 1.00 0.00 O ATOM 1026 CB THR A 72 -4.660 -8.575 -6.905 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.978 -8.196 -7.263 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.450 -10.001 -7.370 1.00 0.00 C ATOM 0 H THR A 72 -6.143 -9.507 -4.943 1.00 0.00 H new ATOM 0 HA THR A 72 -3.370 -8.515 -5.190 1.00 0.00 H new ATOM 0 HB THR A 72 -3.920 -7.939 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.104 -8.321 -8.227 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.629 -10.064 -8.443 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.426 -10.307 -7.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.144 -10.660 -6.848 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.902 -6.046 -5.063 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.163 -4.663 -4.686 1.00 0.00 C ATOM 1038 C ILE A 73 -4.290 -3.765 -5.916 1.00 0.00 C ATOM 1039 O ILE A 73 -3.315 -3.536 -6.631 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.046 -4.117 -3.775 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.817 -5.059 -2.591 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.393 -2.717 -3.289 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.616 -4.688 -1.749 1.00 0.00 C ATOM 0 H ILE A 73 -2.950 -6.222 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.108 -4.655 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.123 -4.060 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.706 -5.061 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.689 -6.075 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.594 -2.346 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.508 -2.053 -4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.326 -2.748 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.514 -5.398 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.717 -4.714 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.750 -3.684 -1.346 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.497 -3.259 -6.151 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.755 -2.386 -7.292 1.00 0.00 C ATOM 1057 C ASP A 74 -4.943 -1.097 -7.190 1.00 0.00 C ATOM 1058 O ASP A 74 -4.054 -0.977 -6.348 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.248 -2.060 -7.381 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.921 -2.748 -8.554 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -8.234 -3.951 -8.436 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.134 -2.083 -9.589 1.00 0.00 O ATOM 0 H ASP A 74 -6.313 -3.439 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.450 -2.912 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.739 -2.362 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.377 -0.982 -7.473 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.255 -0.137 -8.057 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.555 1.143 -8.067 1.00 0.00 C ATOM 1069 C PHE A 75 -4.672 1.842 -6.714 1.00 0.00 C ATOM 1070 O PHE A 75 -3.750 1.793 -5.900 1.00 0.00 O ATOM 1071 CB PHE A 75 -5.112 2.044 -9.172 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.447 1.841 -10.503 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.194 2.375 -10.756 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -5.077 1.118 -11.504 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.580 2.190 -11.980 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -4.468 0.930 -12.730 1.00 0.00 C ATOM 1077 CZ PHE A 75 -3.218 1.467 -12.969 1.00 0.00 C ATOM 0 H PHE A 75 -5.988 -0.222 -8.761 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.500 0.949 -8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.181 1.858 -9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.997 3.086 -8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.691 2.943 -9.987 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.055 0.697 -11.324 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.602 2.610 -12.163 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.969 0.363 -13.501 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.741 1.322 -13.927 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.809 2.491 -6.480 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.040 3.195 -5.224 1.00 0.00 C ATOM 1089 C GLU A 76 -6.163 2.215 -4.061 1.00 0.00 C ATOM 1090 O GLU A 76 -6.013 2.595 -2.900 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.305 4.056 -5.311 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.497 4.729 -6.660 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.051 6.135 -6.535 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.267 7.057 -6.226 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -9.269 6.315 -6.748 1.00 0.00 O ATOM 0 H GLU A 76 -6.583 2.544 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.181 3.842 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.173 3.432 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.266 4.821 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.542 4.764 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.173 4.129 -7.269 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.438 0.950 -4.378 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.580 -0.081 -3.356 1.00 0.00 C ATOM 1104 C GLU A 77 -5.368 -0.103 -2.429 1.00 0.00 C ATOM 1105 O GLU A 77 -5.473 -0.499 -1.269 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.769 -1.454 -4.008 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.150 -2.048 -3.784 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.191 -3.545 -4.026 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.813 -4.305 -3.110 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.603 -3.957 -5.131 1.00 0.00 O ATOM 0 H GLU A 77 -6.566 0.617 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.462 0.153 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.590 -1.366 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.019 -2.140 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.469 -1.841 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.863 -1.558 -4.446 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.219 0.329 -2.942 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.999 0.358 -2.145 1.00 0.00 C ATOM 1119 C PHE A 78 -3.051 1.474 -1.101 1.00 0.00 C ATOM 1120 O PHE A 78 -2.215 1.530 -0.199 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.770 0.534 -3.035 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.485 0.193 -2.335 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.151 1.130 -1.537 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.080 -1.064 -2.468 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.328 0.819 -0.883 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.259 -1.380 -1.819 1.00 0.00 C ATOM 1127 CZ PHE A 78 1.883 -0.437 -1.025 1.00 0.00 C ATOM 0 H PHE A 78 -4.109 0.662 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.922 -0.598 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.875 -0.096 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.725 1.566 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.278 2.115 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.405 -1.805 -3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.813 1.557 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.692 -2.363 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.804 -0.682 -0.516 1.00 0.00 H new ATOM 1137 N LEU A 79 -4.041 2.356 -1.221 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.200 3.459 -0.280 1.00 0.00 C ATOM 1139 C LEU A 79 -5.190 3.090 0.821 1.00 0.00 C ATOM 1140 O LEU A 79 -5.026 3.486 1.975 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.674 4.720 -1.008 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.627 5.374 -1.916 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.107 5.398 -3.359 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.306 6.783 -1.435 1.00 0.00 C ATOM 0 H LEU A 79 -4.743 2.327 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.230 3.658 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.548 4.468 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.997 5.450 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.715 4.779 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.349 5.866 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.282 4.378 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.034 5.967 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.561 7.231 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.213 7.388 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.914 6.740 -0.419 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.219 2.328 0.457 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.236 1.907 1.416 1.00 0.00 C ATOM 1158 C VAL A 80 -6.698 0.816 2.338 1.00 0.00 C ATOM 1159 O VAL A 80 -7.066 0.740 3.510 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.509 1.402 0.703 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.324 -0.013 0.169 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.703 1.475 1.641 1.00 0.00 C ATOM 0 H VAL A 80 -6.370 1.990 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.497 2.781 2.013 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.697 2.052 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.239 -0.337 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.500 -0.028 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.101 -0.688 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.593 1.116 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.516 0.854 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.857 2.508 1.954 1.00 0.00 H new ATOM 1172 N MET A 81 -5.814 -0.016 1.798 1.00 0.00 N ATOM 1173 CA MET A 81 -5.204 -1.099 2.559 1.00 0.00 C ATOM 1174 C MET A 81 -4.632 -0.571 3.861 1.00 0.00 C ATOM 1175 O MET A 81 -4.739 -1.197 4.914 1.00 0.00 O ATOM 1176 CB MET A 81 -4.078 -1.727 1.743 1.00 0.00 C ATOM 1177 CG MET A 81 -3.244 -0.710 0.984 1.00 0.00 C ATOM 1178 SD MET A 81 -1.544 -1.248 0.749 1.00 0.00 S ATOM 1179 CE MET A 81 -1.001 -1.291 2.450 1.00 0.00 C ATOM 0 H MET A 81 -5.502 0.041 0.828 1.00 0.00 H new ATOM 0 HA MET A 81 -5.968 -1.845 2.777 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.428 -2.294 2.410 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.505 -2.437 1.035 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.700 -0.524 0.012 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.250 0.236 1.525 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.153 -0.618 2.578 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.817 -0.975 3.100 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.701 -2.306 2.711 1.00 0.00 H new ATOM 1189 N MET A 82 -4.017 0.592 3.757 1.00 0.00 N ATOM 1190 CA MET A 82 -3.399 1.256 4.885 1.00 0.00 C ATOM 1191 C MET A 82 -4.454 1.863 5.803 1.00 0.00 C ATOM 1192 O MET A 82 -4.315 1.845 7.026 1.00 0.00 O ATOM 1193 CB MET A 82 -2.468 2.338 4.359 1.00 0.00 C ATOM 1194 CG MET A 82 -1.068 1.841 4.064 1.00 0.00 C ATOM 1195 SD MET A 82 -0.030 3.113 3.325 1.00 0.00 S ATOM 1196 CE MET A 82 1.368 3.063 4.436 1.00 0.00 C ATOM 0 H MET A 82 -3.933 1.105 2.879 1.00 0.00 H new ATOM 0 HA MET A 82 -2.833 0.530 5.469 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.894 2.761 3.449 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.412 3.145 5.090 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.607 1.491 4.988 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.123 0.985 3.392 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.960 3.970 4.317 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.013 2.993 5.464 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.985 2.194 4.206 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.510 2.396 5.200 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.595 3.008 5.956 1.00 0.00 C ATOM 1208 C VAL A 83 -7.295 1.977 6.837 1.00 0.00 C ATOM 1209 O VAL A 83 -7.691 2.275 7.964 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.631 3.660 5.017 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.700 4.389 5.815 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.947 4.609 4.043 1.00 0.00 C ATOM 0 H VAL A 83 -5.638 2.417 4.188 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.153 3.779 6.587 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.116 2.870 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.419 4.841 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.213 3.682 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.235 5.168 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.694 5.059 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.432 5.392 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.225 4.056 3.443 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.443 0.764 6.315 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.093 -0.313 7.053 1.00 0.00 C ATOM 1224 C ARG A 84 -7.314 -0.666 8.318 1.00 0.00 C ATOM 1225 O ARG A 84 -7.858 -1.270 9.243 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.235 -1.552 6.167 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.071 -1.315 4.918 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.120 -2.401 4.726 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.476 -1.857 4.722 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.134 -1.498 5.822 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.566 -1.625 7.015 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.363 -1.010 5.730 1.00 0.00 N ATOM 0 H ARG A 84 -7.121 0.502 5.383 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.083 0.034 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.243 -1.892 5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.687 -2.355 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.561 -0.344 4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.419 -1.281 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.935 -2.921 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.028 -3.139 5.523 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.946 -1.746 3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.620 -1.999 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.075 -1.348 7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.805 -0.910 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.867 -0.735 6.573 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.039 -0.285 8.356 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.193 -0.563 9.514 1.00 0.00 C ATOM 1248 C GLN A 85 -4.870 0.723 10.268 1.00 0.00 C ATOM 1249 O GLN A 85 -4.588 0.697 11.466 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.893 -1.250 9.080 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.037 -2.117 7.839 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.156 -3.131 7.964 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.871 -3.164 8.965 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.314 -3.967 6.944 1.00 0.00 N ATOM 0 H GLN A 85 -5.570 0.215 7.601 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.742 -1.231 10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.136 -0.488 8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.528 -1.867 9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.224 -1.480 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.098 -2.638 7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.698 -3.904 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.051 -4.672 6.972 1.00 0.00 H new ATOM 1263 N MET A 86 -4.910 1.844 9.557 1.00 0.00 N ATOM 1264 CA MET A 86 -4.621 3.141 10.153 1.00 0.00 C ATOM 1265 C MET A 86 -5.738 3.569 11.098 1.00 0.00 C ATOM 1266 O MET A 86 -5.490 4.216 12.117 1.00 0.00 O ATOM 1267 CB MET A 86 -4.428 4.187 9.056 1.00 0.00 C ATOM 1268 CG MET A 86 -3.014 4.226 8.500 1.00 0.00 C ATOM 1269 SD MET A 86 -2.619 5.798 7.712 1.00 0.00 S ATOM 1270 CE MET A 86 -2.058 5.243 6.102 1.00 0.00 C ATOM 0 H MET A 86 -5.141 1.880 8.564 1.00 0.00 H new ATOM 0 HA MET A 86 -3.702 3.056 10.732 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.124 3.982 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.681 5.170 9.453 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.305 4.041 9.307 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.890 3.420 7.776 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.629 6.084 5.557 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.302 4.468 6.227 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.902 4.840 5.542 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.970 3.202 10.758 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.124 3.546 11.580 1.00 0.00 C ATOM 1282 C LYS A 87 -8.097 2.786 12.903 1.00 0.00 C ATOM 1283 O LYS A 87 -8.635 3.250 13.909 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.422 3.242 10.829 1.00 0.00 C ATOM 1285 CG LYS A 87 -10.001 4.447 10.106 1.00 0.00 C ATOM 1286 CD LYS A 87 -10.130 4.195 8.611 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.125 3.084 8.316 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.974 3.397 7.133 1.00 0.00 N ATOM 0 H LYS A 87 -7.194 2.667 9.919 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.079 4.614 11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.236 2.449 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.161 2.863 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.980 4.685 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.363 5.315 10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.448 5.111 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.156 3.930 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.587 2.152 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.761 2.926 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.638 2.615 6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.507 4.272 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.370 3.523 6.296 1.00 0.00 H new ATOM 1384 N SER B 117 1.064 2.473 9.772 1.00 0.00 N ATOM 1385 CA SER B 117 2.317 3.197 9.959 1.00 0.00 C ATOM 1386 C SER B 117 3.374 2.702 8.979 1.00 0.00 C ATOM 1387 O SER B 117 4.570 2.724 9.271 1.00 0.00 O ATOM 1388 CB SER B 117 2.816 3.041 11.395 1.00 0.00 C ATOM 1389 OG SER B 117 2.862 1.677 11.777 1.00 0.00 O ATOM 0 HA SER B 117 2.132 4.254 9.766 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.809 3.481 11.487 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.161 3.589 12.072 1.00 0.00 H new ATOM 0 HG SER B 117 2.101 1.201 11.384 1.00 0.00 H new ATOM 1395 N ALA B 118 2.917 2.260 7.813 1.00 0.00 N ATOM 1396 CA ALA B 118 3.809 1.759 6.777 1.00 0.00 C ATOM 1397 C ALA B 118 4.491 2.904 6.031 1.00 0.00 C ATOM 1398 O ALA B 118 5.278 2.672 5.113 1.00 0.00 O ATOM 1399 CB ALA B 118 3.034 0.878 5.809 1.00 0.00 C ATOM 0 H ALA B 118 1.929 2.239 7.562 1.00 0.00 H new ATOM 0 HA ALA B 118 4.589 1.165 7.254 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.707 0.506 5.036 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.602 0.036 6.350 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.237 1.460 5.346 1.00 0.00 H new ATOM 1405 N ASP B 119 4.191 4.142 6.432 1.00 0.00 N ATOM 1406 CA ASP B 119 4.778 5.323 5.803 1.00 0.00 C ATOM 1407 C ASP B 119 6.279 5.149 5.590 1.00 0.00 C ATOM 1408 O ASP B 119 6.853 5.725 4.667 1.00 0.00 O ATOM 1409 CB ASP B 119 4.514 6.563 6.658 1.00 0.00 C ATOM 1410 CG ASP B 119 4.776 7.852 5.905 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.151 8.057 4.843 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.606 8.657 6.377 1.00 0.00 O ATOM 0 H ASP B 119 3.543 4.350 7.192 1.00 0.00 H new ATOM 0 HA ASP B 119 4.308 5.451 4.828 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.480 6.550 7.002 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.145 6.530 7.546 1.00 0.00 H new ATOM 1417 N ALA B 120 6.910 4.350 6.447 1.00 0.00 N ATOM 1418 CA ALA B 120 8.344 4.101 6.342 1.00 0.00 C ATOM 1419 C ALA B 120 8.712 3.620 4.943 1.00 0.00 C ATOM 1420 O ALA B 120 9.418 4.309 4.206 1.00 0.00 O ATOM 1421 CB ALA B 120 8.784 3.088 7.388 1.00 0.00 C ATOM 0 H ALA B 120 6.452 3.866 7.219 1.00 0.00 H new ATOM 0 HA ALA B 120 8.867 5.040 6.525 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.856 2.913 7.297 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.563 3.473 8.383 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.249 2.151 7.235 1.00 0.00 H new ATOM 1427 N MET B 121 8.219 2.441 4.573 1.00 0.00 N ATOM 1428 CA MET B 121 8.492 1.887 3.251 1.00 0.00 C ATOM 1429 C MET B 121 8.051 2.867 2.173 1.00 0.00 C ATOM 1430 O MET B 121 8.684 2.986 1.125 1.00 0.00 O ATOM 1431 CB MET B 121 7.772 0.548 3.068 1.00 0.00 C ATOM 1432 CG MET B 121 7.927 -0.045 1.676 1.00 0.00 C ATOM 1433 SD MET B 121 6.444 -0.905 1.118 1.00 0.00 S ATOM 1434 CE MET B 121 5.227 0.399 1.263 1.00 0.00 C ATOM 0 H MET B 121 7.632 1.854 5.166 1.00 0.00 H new ATOM 0 HA MET B 121 9.565 1.718 3.162 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.154 -0.163 3.801 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.711 0.684 3.279 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.168 0.751 0.971 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.768 -0.739 1.672 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.403 0.205 0.576 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.848 0.431 2.285 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.688 1.356 1.016 1.00 0.00 H new ATOM 1444 N LEU B 122 6.960 3.572 2.447 1.00 0.00 N ATOM 1445 CA LEU B 122 6.431 4.550 1.510 1.00 0.00 C ATOM 1446 C LEU B 122 7.406 5.713 1.357 1.00 0.00 C ATOM 1447 O LEU B 122 7.574 6.257 0.267 1.00 0.00 O ATOM 1448 CB LEU B 122 5.068 5.062 1.988 1.00 0.00 C ATOM 1449 CG LEU B 122 3.886 4.122 1.720 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.944 2.907 2.633 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.566 4.860 1.902 1.00 0.00 C ATOM 0 H LEU B 122 6.426 3.483 3.311 1.00 0.00 H new ATOM 0 HA LEU B 122 6.302 4.070 0.540 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.125 5.252 3.060 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.867 6.018 1.505 1.00 0.00 H new ATOM 0 HG LEU B 122 3.953 3.778 0.688 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.096 2.255 2.425 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.872 2.363 2.456 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.906 3.231 3.673 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.738 4.178 1.708 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.496 5.234 2.923 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.518 5.697 1.205 1.00 0.00 H new ATOM 1463 N ARG B 123 8.053 6.087 2.458 1.00 0.00 N ATOM 1464 CA ARG B 123 9.017 7.182 2.444 1.00 0.00 C ATOM 1465 C ARG B 123 10.428 6.673 2.145 1.00 0.00 C ATOM 1466 O ARG B 123 11.405 7.404 2.308 1.00 0.00 O ATOM 1467 CB ARG B 123 9.004 7.916 3.786 1.00 0.00 C ATOM 1468 CG ARG B 123 9.568 9.326 3.715 1.00 0.00 C ATOM 1469 CD ARG B 123 9.957 9.840 5.090 1.00 0.00 C ATOM 1470 NE ARG B 123 11.166 10.659 5.047 1.00 0.00 N ATOM 1471 CZ ARG B 123 11.796 11.109 6.131 1.00 0.00 C ATOM 1472 NH1 ARG B 123 11.335 10.820 7.342 1.00 0.00 N ATOM 1473 NH2 ARG B 123 12.889 11.848 6.003 1.00 0.00 N ATOM 0 H ARG B 123 7.927 5.648 3.370 1.00 0.00 H new ATOM 0 HA ARG B 123 8.727 7.873 1.652 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.980 7.962 4.155 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.579 7.340 4.511 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.440 9.338 3.061 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.828 9.993 3.272 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.136 10.427 5.503 1.00 0.00 H new ATOM 0 HD3 ARG B 123 10.115 8.996 5.761 1.00 0.00 H new ATOM 0 HE ARG B 123 11.550 10.900 4.133 1.00 0.00 H new ATOM 0 HH11 ARG B 123 10.495 10.251 7.445 1.00 0.00 H new ATOM 0 HH12 ARG B 123 11.821 11.167 8.169 1.00 0.00 H new ATOM 0 HH21 ARG B 123 13.247 12.072 5.075 1.00 0.00 H new ATOM 0 HH22 ARG B 123 13.372 12.193 6.833 1.00 0.00 H new ATOM 1487 N ALA B 124 10.527 5.419 1.713 1.00 0.00 N ATOM 1488 CA ALA B 124 11.817 4.819 1.400 1.00 0.00 C ATOM 1489 C ALA B 124 12.314 5.251 0.024 1.00 0.00 C ATOM 1490 O ALA B 124 13.238 6.056 -0.090 1.00 0.00 O ATOM 1491 CB ALA B 124 11.716 3.301 1.468 1.00 0.00 C ATOM 0 H ALA B 124 9.729 4.800 1.572 1.00 0.00 H new ATOM 0 HA ALA B 124 12.538 5.166 2.140 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.685 2.861 1.233 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.415 3.001 2.472 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.975 2.953 0.748 1.00 0.00 H new ATOM 1497 N LEU B 125 11.694 4.706 -1.016 1.00 0.00 N ATOM 1498 CA LEU B 125 12.070 5.025 -2.387 1.00 0.00 C ATOM 1499 C LEU B 125 11.574 6.411 -2.792 1.00 0.00 C ATOM 1500 O LEU B 125 12.086 7.010 -3.737 1.00 0.00 O ATOM 1501 CB LEU B 125 11.511 3.968 -3.338 1.00 0.00 C ATOM 1502 CG LEU B 125 11.816 2.524 -2.937 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.748 1.586 -3.471 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.193 2.114 -3.437 1.00 0.00 C ATOM 0 H LEU B 125 10.926 4.039 -0.935 1.00 0.00 H new ATOM 0 HA LEU B 125 13.158 5.028 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.430 4.092 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.913 4.147 -4.335 1.00 0.00 H new ATOM 0 HG LEU B 125 11.813 2.458 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.982 0.563 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.778 1.869 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.717 1.652 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.395 1.084 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.224 2.194 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.948 2.770 -3.003 1.00 0.00 H new