USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 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 18 MET CE :methyl 161:sc= -2.43 (180deg=-2.16) USER MOD Set 1.2: A 86 MET CE :methyl -168:sc= -10.7! (180deg=-12!) USER MOD Set 2.1: A 81 MET CE :methyl -148:sc= -0.901 (180deg=-2.45!) USER MOD Set 2.2: A 82 MET CE :methyl -161:sc= -9.21! (180deg=-10.1!) USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= 0.0481 USER MOD Set 3.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 46 MET CE :methyl -169:sc= -0.0158 (180deg=0) USER MOD Set 4.2: A 51 GLN : amide:sc= -0.235 K(o=-0.25,f=-5.2!) USER MOD Set 5.1: A 40 LYS NZ :NH3+ -112:sc= 0.00628 (180deg=0) USER MOD Set 5.2: A 44 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 6 GLN : amide:sc= -3.68! C(o=-3.7!,f=-5.2!) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.4) 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 171:sc= -1.07 (180deg=-1.11) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 48 MET CE :methyl -166:sc= -9.01! (180deg=-9.15!) USER MOD Single : A 52 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0652 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 71:sc= 0.728 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.2!) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.11 (180deg=-0.601) USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl 148:sc= -4.78! (180deg=-6.99!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.574 2.915 -0.598 1.00 0.00 N ATOM 68 CA GLN A 6 -13.491 2.584 0.323 1.00 0.00 C ATOM 69 C GLN A 6 -12.132 2.977 -0.253 1.00 0.00 C ATOM 70 O GLN A 6 -11.179 3.214 0.490 1.00 0.00 O ATOM 71 CB GLN A 6 -13.509 1.088 0.644 1.00 0.00 C ATOM 72 CG GLN A 6 -13.218 0.204 -0.558 1.00 0.00 C ATOM 73 CD GLN A 6 -11.877 -0.498 -0.457 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.960 -0.223 -1.231 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.757 -1.410 0.501 1.00 0.00 N ATOM 0 HA GLN A 6 -13.647 3.151 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.773 0.883 1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.485 0.824 1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.007 -0.541 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.239 0.810 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.544 -1.606 1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.878 -1.915 0.618 1.00 0.00 H new ATOM 84 N GLN A 7 -12.049 3.052 -1.579 1.00 0.00 N ATOM 85 CA GLN A 7 -10.800 3.427 -2.245 1.00 0.00 C ATOM 86 C GLN A 7 -10.749 4.927 -2.514 1.00 0.00 C ATOM 87 O GLN A 7 -9.688 5.476 -2.808 1.00 0.00 O ATOM 88 CB GLN A 7 -10.592 2.663 -3.567 1.00 0.00 C ATOM 89 CG GLN A 7 -11.798 1.871 -4.057 1.00 0.00 C ATOM 90 CD GLN A 7 -11.499 1.086 -5.319 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.466 1.284 -5.958 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.405 0.187 -5.684 1.00 0.00 N ATOM 0 H GLN A 7 -12.825 2.860 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.995 3.154 -1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.309 3.377 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.753 1.978 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.122 1.185 -3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.626 2.554 -4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.248 0.056 -5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.259 -0.373 -6.524 1.00 0.00 H new ATOM 101 N ALA A 8 -11.895 5.584 -2.416 1.00 0.00 N ATOM 102 CA ALA A 8 -11.964 7.016 -2.657 1.00 0.00 C ATOM 103 C ALA A 8 -11.695 7.797 -1.377 1.00 0.00 C ATOM 104 O ALA A 8 -10.871 8.711 -1.357 1.00 0.00 O ATOM 105 CB ALA A 8 -13.319 7.392 -3.238 1.00 0.00 C ATOM 0 H ALA A 8 -12.785 5.150 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.192 7.277 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.354 8.467 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.469 6.866 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.106 7.112 -2.537 1.00 0.00 H new ATOM 111 N GLU A 9 -12.388 7.423 -0.304 1.00 0.00 N ATOM 112 CA GLU A 9 -12.213 8.084 0.983 1.00 0.00 C ATOM 113 C GLU A 9 -10.770 7.947 1.453 1.00 0.00 C ATOM 114 O GLU A 9 -10.179 8.896 1.966 1.00 0.00 O ATOM 115 CB GLU A 9 -13.163 7.489 2.024 1.00 0.00 C ATOM 116 CG GLU A 9 -14.578 7.279 1.508 1.00 0.00 C ATOM 117 CD GLU A 9 -15.603 8.103 2.264 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.262 9.223 2.697 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.746 7.627 2.423 1.00 0.00 O ATOM 0 H GLU A 9 -13.074 6.668 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.447 9.142 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.764 6.533 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.196 8.147 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.617 7.539 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.837 6.223 1.587 1.00 0.00 H new ATOM 126 N ALA A 10 -10.209 6.756 1.262 1.00 0.00 N ATOM 127 CA ALA A 10 -8.832 6.475 1.649 1.00 0.00 C ATOM 128 C ALA A 10 -7.894 7.593 1.204 1.00 0.00 C ATOM 129 O ALA A 10 -7.189 8.188 2.019 1.00 0.00 O ATOM 130 CB ALA A 10 -8.392 5.150 1.051 1.00 0.00 C ATOM 0 H ALA A 10 -10.693 5.965 0.838 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.786 6.414 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.362 4.943 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.039 4.353 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.458 5.201 -0.036 1.00 0.00 H new ATOM 136 N ARG A 11 -7.896 7.874 -0.097 1.00 0.00 N ATOM 137 CA ARG A 11 -7.050 8.924 -0.654 1.00 0.00 C ATOM 138 C ARG A 11 -7.266 10.240 0.087 1.00 0.00 C ATOM 139 O ARG A 11 -6.374 11.087 0.145 1.00 0.00 O ATOM 140 CB ARG A 11 -7.348 9.108 -2.143 1.00 0.00 C ATOM 141 CG ARG A 11 -6.145 9.565 -2.954 1.00 0.00 C ATOM 142 CD ARG A 11 -6.050 8.828 -4.280 1.00 0.00 C ATOM 143 NE ARG A 11 -5.617 9.706 -5.365 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.104 9.269 -6.513 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.959 7.968 -6.730 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.737 10.135 -7.447 1.00 0.00 N ATOM 0 H ARG A 11 -8.474 7.389 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.009 8.625 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.713 8.166 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.150 9.837 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.215 10.637 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.234 9.399 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.350 7.998 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.021 8.399 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.714 10.713 -5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.241 7.297 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.565 7.639 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.848 11.136 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.344 9.800 -8.327 1.00 0.00 H new ATOM 160 N ALA A 12 -8.457 10.402 0.656 1.00 0.00 N ATOM 161 CA ALA A 12 -8.794 11.609 1.398 1.00 0.00 C ATOM 162 C ALA A 12 -8.508 11.440 2.887 1.00 0.00 C ATOM 163 O ALA A 12 -8.344 12.421 3.611 1.00 0.00 O ATOM 164 CB ALA A 12 -10.256 11.970 1.178 1.00 0.00 C ATOM 0 H ALA A 12 -9.205 9.710 0.616 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.168 12.420 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.496 12.874 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.432 12.143 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.889 11.152 1.522 1.00 0.00 H new ATOM 170 N PHE A 13 -8.450 10.189 3.341 1.00 0.00 N ATOM 171 CA PHE A 13 -8.184 9.902 4.746 1.00 0.00 C ATOM 172 C PHE A 13 -6.728 10.198 5.100 1.00 0.00 C ATOM 173 O PHE A 13 -6.402 10.448 6.260 1.00 0.00 O ATOM 174 CB PHE A 13 -8.513 8.441 5.060 1.00 0.00 C ATOM 175 CG PHE A 13 -9.841 8.261 5.739 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.965 8.437 7.107 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.967 7.917 5.007 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.185 8.272 7.733 1.00 0.00 C ATOM 179 CE2 PHE A 13 -12.191 7.750 5.627 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.300 7.929 6.993 1.00 0.00 C ATOM 0 H PHE A 13 -8.583 9.363 2.758 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.821 10.549 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.507 7.868 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.729 8.028 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.098 8.706 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.887 7.778 3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.267 8.411 8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.060 7.480 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.255 7.801 7.481 1.00 0.00 H new ATOM 190 N LEU A 14 -5.858 10.166 4.096 1.00 0.00 N ATOM 191 CA LEU A 14 -4.441 10.431 4.306 1.00 0.00 C ATOM 192 C LEU A 14 -4.022 11.734 3.635 1.00 0.00 C ATOM 193 O LEU A 14 -4.715 12.242 2.754 1.00 0.00 O ATOM 194 CB LEU A 14 -3.600 9.274 3.763 1.00 0.00 C ATOM 195 CG LEU A 14 -4.048 7.885 4.216 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.512 6.818 3.275 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.591 7.621 5.642 1.00 0.00 C ATOM 0 H LEU A 14 -6.110 9.959 3.130 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.272 10.526 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.620 9.309 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.564 9.423 4.067 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.137 7.846 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.841 5.836 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.887 6.999 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.423 6.853 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.917 6.628 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.504 7.677 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.024 8.368 6.307 1.00 0.00 H new ATOM 209 N SER A 15 -2.880 12.267 4.057 1.00 0.00 N ATOM 210 CA SER A 15 -2.362 13.509 3.495 1.00 0.00 C ATOM 211 C SER A 15 -1.642 13.245 2.180 1.00 0.00 C ATOM 212 O SER A 15 -1.225 12.119 1.908 1.00 0.00 O ATOM 213 CB SER A 15 -1.402 14.179 4.483 1.00 0.00 C ATOM 214 OG SER A 15 -1.567 15.587 4.479 1.00 0.00 O ATOM 0 H SER A 15 -2.296 11.858 4.786 1.00 0.00 H new ATOM 0 HA SER A 15 -3.205 14.174 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.579 13.792 5.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.374 13.929 4.222 1.00 0.00 H new ATOM 0 HG SER A 15 -0.944 15.991 5.119 1.00 0.00 H new ATOM 220 N GLU A 16 -1.482 14.288 1.371 1.00 0.00 N ATOM 221 CA GLU A 16 -0.793 14.158 0.091 1.00 0.00 C ATOM 222 C GLU A 16 0.545 13.447 0.283 1.00 0.00 C ATOM 223 O GLU A 16 1.048 12.783 -0.623 1.00 0.00 O ATOM 224 CB GLU A 16 -0.569 15.534 -0.537 1.00 0.00 C ATOM 225 CG GLU A 16 -1.859 16.262 -0.882 1.00 0.00 C ATOM 226 CD GLU A 16 -2.033 17.548 -0.095 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.577 17.601 1.066 1.00 0.00 O ATOM 228 OE2 GLU A 16 -2.626 18.502 -0.642 1.00 0.00 O ATOM 0 H GLU A 16 -1.818 15.229 1.577 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.416 13.566 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.012 16.148 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.027 15.418 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.870 16.489 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.706 15.604 -0.688 1.00 0.00 H new ATOM 235 N GLU A 17 1.105 13.587 1.482 1.00 0.00 N ATOM 236 CA GLU A 17 2.373 12.959 1.822 1.00 0.00 C ATOM 237 C GLU A 17 2.264 11.440 1.732 1.00 0.00 C ATOM 238 O GLU A 17 3.040 10.790 1.033 1.00 0.00 O ATOM 239 CB GLU A 17 2.793 13.369 3.234 1.00 0.00 C ATOM 240 CG GLU A 17 3.729 14.566 3.267 1.00 0.00 C ATOM 241 CD GLU A 17 5.144 14.211 2.855 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.868 13.607 3.675 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.529 14.537 1.711 1.00 0.00 O ATOM 0 H GLU A 17 0.694 14.135 2.238 1.00 0.00 H new ATOM 0 HA GLU A 17 3.127 13.293 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.901 13.600 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.281 12.523 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.345 15.341 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.742 14.985 4.273 1.00 0.00 H new ATOM 250 N MET A 18 1.293 10.882 2.450 1.00 0.00 N ATOM 251 CA MET A 18 1.077 9.439 2.457 1.00 0.00 C ATOM 252 C MET A 18 0.782 8.917 1.052 1.00 0.00 C ATOM 253 O MET A 18 0.940 7.727 0.779 1.00 0.00 O ATOM 254 CB MET A 18 -0.073 9.082 3.403 1.00 0.00 C ATOM 255 CG MET A 18 0.205 7.863 4.272 1.00 0.00 C ATOM 256 SD MET A 18 1.212 8.250 5.718 1.00 0.00 S ATOM 257 CE MET A 18 0.887 6.826 6.758 1.00 0.00 C ATOM 0 H MET A 18 0.643 11.408 3.035 1.00 0.00 H new ATOM 0 HA MET A 18 1.992 8.963 2.810 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.280 9.937 4.047 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.972 8.900 2.815 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.741 7.432 4.599 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.711 7.105 3.675 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.668 6.742 7.514 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.080 6.946 7.247 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.875 5.924 6.146 1.00 0.00 H new ATOM 267 N ILE A 19 0.355 9.810 0.160 1.00 0.00 N ATOM 268 CA ILE A 19 0.045 9.430 -1.213 1.00 0.00 C ATOM 269 C ILE A 19 1.303 9.430 -2.075 1.00 0.00 C ATOM 270 O ILE A 19 1.731 8.388 -2.570 1.00 0.00 O ATOM 271 CB ILE A 19 -1.004 10.376 -1.839 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.383 10.115 -1.231 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.046 10.209 -3.354 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.416 11.152 -1.612 1.00 0.00 C ATOM 0 H ILE A 19 0.217 10.800 0.365 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.369 8.422 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.716 11.404 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.732 9.132 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.293 10.085 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.791 10.884 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.067 10.443 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.309 9.180 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.370 10.904 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.089 12.134 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.535 11.166 -2.695 1.00 0.00 H new ATOM 286 N ALA A 20 1.894 10.609 -2.249 1.00 0.00 N ATOM 287 CA ALA A 20 3.106 10.748 -3.048 1.00 0.00 C ATOM 288 C ALA A 20 4.152 9.716 -2.638 1.00 0.00 C ATOM 289 O ALA A 20 4.999 9.320 -3.438 1.00 0.00 O ATOM 290 CB ALA A 20 3.660 12.156 -2.911 1.00 0.00 C ATOM 0 H ALA A 20 1.552 11.482 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 20 2.853 10.569 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.565 12.251 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.918 12.875 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.895 12.354 -1.865 1.00 0.00 H new ATOM 296 N GLU A 21 4.074 9.277 -1.387 1.00 0.00 N ATOM 297 CA GLU A 21 4.995 8.282 -0.862 1.00 0.00 C ATOM 298 C GLU A 21 4.498 6.881 -1.198 1.00 0.00 C ATOM 299 O GLU A 21 5.290 5.967 -1.424 1.00 0.00 O ATOM 300 CB GLU A 21 5.138 8.449 0.653 1.00 0.00 C ATOM 301 CG GLU A 21 5.626 9.827 1.068 1.00 0.00 C ATOM 302 CD GLU A 21 5.268 10.166 2.501 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.204 9.711 2.970 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.052 10.887 3.154 1.00 0.00 O ATOM 0 H GLU A 21 3.377 9.598 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 21 5.973 8.424 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.174 8.257 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.832 7.698 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.708 9.877 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.196 10.576 0.403 1.00 0.00 H new ATOM 311 N PHE A 22 3.177 6.726 -1.246 1.00 0.00 N ATOM 312 CA PHE A 22 2.569 5.442 -1.575 1.00 0.00 C ATOM 313 C PHE A 22 2.994 5.011 -2.974 1.00 0.00 C ATOM 314 O PHE A 22 3.171 3.824 -3.247 1.00 0.00 O ATOM 315 CB PHE A 22 1.036 5.536 -1.467 1.00 0.00 C ATOM 316 CG PHE A 22 0.298 5.368 -2.770 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.213 4.127 -3.382 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.312 6.453 -3.380 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.465 3.972 -4.576 1.00 0.00 C ATOM 320 CE2 PHE A 22 -0.992 6.304 -4.574 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.068 5.061 -5.173 1.00 0.00 C ATOM 0 H PHE A 22 2.509 7.474 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 22 2.912 4.690 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.688 4.775 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.775 6.504 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.682 3.271 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.255 7.427 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.523 2.999 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.463 7.158 -5.038 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.598 4.942 -6.106 1.00 0.00 H new ATOM 331 N LYS A 23 3.160 5.993 -3.853 1.00 0.00 N ATOM 332 CA LYS A 23 3.570 5.734 -5.225 1.00 0.00 C ATOM 333 C LYS A 23 5.060 5.395 -5.292 1.00 0.00 C ATOM 334 O LYS A 23 5.545 4.887 -6.302 1.00 0.00 O ATOM 335 CB LYS A 23 3.268 6.950 -6.102 1.00 0.00 C ATOM 336 CG LYS A 23 3.024 6.602 -7.561 1.00 0.00 C ATOM 337 CD LYS A 23 1.638 6.013 -7.770 1.00 0.00 C ATOM 338 CE LYS A 23 0.616 7.094 -8.084 1.00 0.00 C ATOM 339 NZ LYS A 23 -0.615 6.532 -8.703 1.00 0.00 N ATOM 0 H LYS A 23 3.016 6.979 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 23 3.006 4.878 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.391 7.463 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.102 7.649 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.136 7.497 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.777 5.890 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.668 5.291 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.333 5.471 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.353 7.622 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.059 7.827 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.286 7.301 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.368 6.050 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.052 5.851 -8.050 1.00 0.00 H new ATOM 353 N ALA A 24 5.780 5.683 -4.207 1.00 0.00 N ATOM 354 CA ALA A 24 7.215 5.415 -4.137 1.00 0.00 C ATOM 355 C ALA A 24 7.565 4.021 -4.654 1.00 0.00 C ATOM 356 O ALA A 24 8.134 3.873 -5.735 1.00 0.00 O ATOM 357 CB ALA A 24 7.705 5.569 -2.707 1.00 0.00 C ATOM 0 H ALA A 24 5.391 6.103 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 24 7.713 6.142 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.775 5.367 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.514 6.586 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.178 4.864 -2.064 1.00 0.00 H new ATOM 363 N ALA A 25 7.235 3.005 -3.863 1.00 0.00 N ATOM 364 CA ALA A 25 7.526 1.622 -4.222 1.00 0.00 C ATOM 365 C ALA A 25 6.639 1.120 -5.363 1.00 0.00 C ATOM 366 O ALA A 25 6.811 -0.003 -5.835 1.00 0.00 O ATOM 367 CB ALA A 25 7.376 0.726 -3.002 1.00 0.00 C ATOM 0 H ALA A 25 6.764 3.115 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 25 8.556 1.585 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.595 -0.305 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.070 1.049 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.355 0.792 -2.626 1.00 0.00 H new ATOM 373 N PHE A 26 5.694 1.948 -5.805 1.00 0.00 N ATOM 374 CA PHE A 26 4.791 1.569 -6.892 1.00 0.00 C ATOM 375 C PHE A 26 5.562 0.973 -8.069 1.00 0.00 C ATOM 376 O PHE A 26 5.045 0.124 -8.794 1.00 0.00 O ATOM 377 CB PHE A 26 3.987 2.781 -7.361 1.00 0.00 C ATOM 378 CG PHE A 26 2.633 2.429 -7.909 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.589 2.106 -7.057 1.00 0.00 C ATOM 380 CD2 PHE A 26 2.406 2.421 -9.276 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.343 1.781 -7.558 1.00 0.00 C ATOM 382 CE2 PHE A 26 1.162 2.096 -9.783 1.00 0.00 C ATOM 383 CZ PHE A 26 0.129 1.777 -8.923 1.00 0.00 C ATOM 0 H PHE A 26 5.533 2.883 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 26 4.108 0.810 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.864 3.470 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.554 3.308 -8.128 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.751 2.108 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.210 2.671 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.462 1.530 -6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.998 2.091 -10.850 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.844 1.525 -9.317 1.00 0.00 H new ATOM 393 N ASP A 27 6.800 1.423 -8.249 1.00 0.00 N ATOM 394 CA ASP A 27 7.639 0.931 -9.336 1.00 0.00 C ATOM 395 C ASP A 27 8.121 -0.487 -9.049 1.00 0.00 C ATOM 396 O ASP A 27 7.745 -1.432 -9.743 1.00 0.00 O ATOM 397 CB ASP A 27 8.838 1.858 -9.543 1.00 0.00 C ATOM 398 CG ASP A 27 9.402 1.769 -10.948 1.00 0.00 C ATOM 399 OD1 ASP A 27 10.147 0.807 -11.228 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.097 2.661 -11.768 1.00 0.00 O ATOM 0 H ASP A 27 7.243 2.126 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 27 7.040 0.916 -10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.538 2.886 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.618 1.605 -8.825 1.00 0.00 H new ATOM 405 N MET A 28 8.952 -0.628 -8.022 1.00 0.00 N ATOM 406 CA MET A 28 9.481 -1.932 -7.640 1.00 0.00 C ATOM 407 C MET A 28 8.352 -2.898 -7.296 1.00 0.00 C ATOM 408 O MET A 28 8.494 -4.112 -7.442 1.00 0.00 O ATOM 409 CB MET A 28 10.430 -1.791 -6.448 1.00 0.00 C ATOM 410 CG MET A 28 11.782 -1.204 -6.813 1.00 0.00 C ATOM 411 SD MET A 28 11.863 0.576 -6.536 1.00 0.00 S ATOM 412 CE MET A 28 13.634 0.843 -6.558 1.00 0.00 C ATOM 0 H MET A 28 9.274 0.145 -7.439 1.00 0.00 H new ATOM 0 HA MET A 28 10.033 -2.336 -8.489 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.961 -1.159 -5.694 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.579 -2.771 -5.995 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.558 -1.695 -6.225 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.995 -1.415 -7.861 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.841 1.913 -6.560 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.081 0.389 -5.674 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.059 0.390 -7.453 1.00 0.00 H new ATOM 422 N PHE A 29 7.230 -2.350 -6.840 1.00 0.00 N ATOM 423 CA PHE A 29 6.072 -3.159 -6.476 1.00 0.00 C ATOM 424 C PHE A 29 5.629 -4.033 -7.645 1.00 0.00 C ATOM 425 O PHE A 29 5.773 -5.255 -7.612 1.00 0.00 O ATOM 426 CB PHE A 29 4.914 -2.259 -6.038 1.00 0.00 C ATOM 427 CG PHE A 29 4.855 -2.024 -4.555 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.029 -3.071 -3.665 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.621 -0.754 -4.054 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.968 -2.854 -2.300 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.561 -0.532 -2.691 1.00 0.00 C ATOM 432 CZ PHE A 29 4.734 -1.583 -1.814 1.00 0.00 C ATOM 0 H PHE A 29 7.098 -1.346 -6.714 1.00 0.00 H new ATOM 0 HA PHE A 29 6.360 -3.806 -5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.001 -1.298 -6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.975 -2.707 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.214 -4.067 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.484 0.072 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.103 -3.678 -1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.379 0.463 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.686 -1.412 -0.749 1.00 0.00 H new ATOM 442 N ASP A 30 5.086 -3.395 -8.678 1.00 0.00 N ATOM 443 CA ASP A 30 4.616 -4.106 -9.859 1.00 0.00 C ATOM 444 C ASP A 30 5.739 -4.917 -10.494 1.00 0.00 C ATOM 445 O ASP A 30 6.762 -4.369 -10.906 1.00 0.00 O ATOM 446 CB ASP A 30 4.044 -3.124 -10.881 1.00 0.00 C ATOM 447 CG ASP A 30 2.625 -2.706 -10.550 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.769 -3.601 -10.376 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.369 -1.488 -10.463 1.00 0.00 O ATOM 0 H ASP A 30 4.961 -2.384 -8.719 1.00 0.00 H new ATOM 0 HA ASP A 30 3.830 -4.792 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.679 -2.239 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.064 -3.581 -11.870 1.00 0.00 H new ATOM 454 N ALA A 31 5.535 -6.224 -10.573 1.00 0.00 N ATOM 455 CA ALA A 31 6.522 -7.121 -11.161 1.00 0.00 C ATOM 456 C ALA A 31 6.239 -7.344 -12.642 1.00 0.00 C ATOM 457 O ALA A 31 7.135 -7.245 -13.480 1.00 0.00 O ATOM 458 CB ALA A 31 6.536 -8.449 -10.420 1.00 0.00 C ATOM 0 H ALA A 31 4.692 -6.689 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 31 7.504 -6.656 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.278 -9.109 -10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.789 -8.279 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.551 -8.912 -10.485 1.00 0.00 H new ATOM 464 N ASP A 32 4.983 -7.643 -12.957 1.00 0.00 N ATOM 465 CA ASP A 32 4.573 -7.877 -14.336 1.00 0.00 C ATOM 466 C ASP A 32 3.940 -6.624 -14.932 1.00 0.00 C ATOM 467 O ASP A 32 4.012 -6.394 -16.138 1.00 0.00 O ATOM 468 CB ASP A 32 3.587 -9.044 -14.406 1.00 0.00 C ATOM 469 CG ASP A 32 2.358 -8.814 -13.548 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.444 -8.016 -12.590 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.310 -9.430 -13.834 1.00 0.00 O ATOM 0 H ASP A 32 4.230 -7.729 -12.274 1.00 0.00 H new ATOM 0 HA ASP A 32 5.461 -8.127 -14.917 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.281 -9.196 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.086 -9.958 -14.084 1.00 0.00 H new ATOM 497 N ASP A 36 -1.785 -5.896 -10.520 1.00 0.00 N ATOM 498 CA ASP A 36 -1.707 -5.246 -9.216 1.00 0.00 C ATOM 499 C ASP A 36 -0.601 -5.860 -8.364 1.00 0.00 C ATOM 500 O ASP A 36 0.150 -6.719 -8.826 1.00 0.00 O ATOM 501 CB ASP A 36 -3.047 -5.356 -8.488 1.00 0.00 C ATOM 502 CG ASP A 36 -4.019 -4.270 -8.904 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.561 -3.229 -9.421 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.238 -4.459 -8.712 1.00 0.00 O ATOM 0 HA ASP A 36 -1.473 -4.194 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.488 -6.332 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.879 -5.298 -7.413 1.00 0.00 H new ATOM 509 N ILE A 37 -0.505 -5.410 -7.117 1.00 0.00 N ATOM 510 CA ILE A 37 0.511 -5.910 -6.200 1.00 0.00 C ATOM 511 C ILE A 37 0.033 -7.167 -5.476 1.00 0.00 C ATOM 512 O ILE A 37 -1.018 -7.166 -4.835 1.00 0.00 O ATOM 513 CB ILE A 37 0.895 -4.837 -5.159 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.528 -3.631 -5.857 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.840 -5.410 -4.110 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.946 -2.537 -4.903 1.00 0.00 C ATOM 0 H ILE A 37 -1.119 -4.700 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 37 1.388 -6.158 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.011 -4.510 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.399 -3.963 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.818 -3.223 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.096 -4.634 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.353 -6.238 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.748 -5.768 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.387 -1.713 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.074 -2.178 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.679 -2.929 -4.199 1.00 0.00 H new ATOM 528 N SER A 38 0.819 -8.233 -5.579 1.00 0.00 N ATOM 529 CA SER A 38 0.487 -9.496 -4.932 1.00 0.00 C ATOM 530 C SER A 38 1.188 -9.605 -3.578 1.00 0.00 C ATOM 531 O SER A 38 1.655 -8.606 -3.031 1.00 0.00 O ATOM 532 CB SER A 38 0.882 -10.672 -5.828 1.00 0.00 C ATOM 533 OG SER A 38 2.265 -10.961 -5.710 1.00 0.00 O ATOM 0 H SER A 38 1.692 -8.247 -6.106 1.00 0.00 H new ATOM 0 HA SER A 38 -0.590 -9.527 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.299 -11.552 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.643 -10.439 -6.866 1.00 0.00 H new ATOM 0 HG SER A 38 2.492 -11.717 -6.291 1.00 0.00 H new ATOM 539 N THR A 39 1.258 -10.820 -3.043 1.00 0.00 N ATOM 540 CA THR A 39 1.903 -11.049 -1.753 1.00 0.00 C ATOM 541 C THR A 39 3.415 -10.881 -1.857 1.00 0.00 C ATOM 542 O THR A 39 4.013 -10.094 -1.125 1.00 0.00 O ATOM 543 CB THR A 39 1.570 -12.449 -1.236 1.00 0.00 C ATOM 544 OG1 THR A 39 1.588 -13.392 -2.293 1.00 0.00 O ATOM 545 CG2 THR A 39 0.214 -12.534 -0.568 1.00 0.00 C ATOM 0 H THR A 39 0.878 -11.659 -3.480 1.00 0.00 H new ATOM 0 HA THR A 39 1.523 -10.307 -1.051 1.00 0.00 H new ATOM 0 HB THR A 39 2.337 -12.672 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.374 -14.281 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.041 -13.554 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.185 -11.854 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.561 -12.255 -1.282 1.00 0.00 H new ATOM 553 N LYS A 40 4.029 -11.629 -2.769 1.00 0.00 N ATOM 554 CA LYS A 40 5.473 -11.565 -2.964 1.00 0.00 C ATOM 555 C LYS A 40 5.911 -10.164 -3.384 1.00 0.00 C ATOM 556 O LYS A 40 6.995 -9.707 -3.020 1.00 0.00 O ATOM 557 CB LYS A 40 5.912 -12.587 -4.015 1.00 0.00 C ATOM 558 CG LYS A 40 7.153 -13.370 -3.619 1.00 0.00 C ATOM 559 CD LYS A 40 8.415 -12.546 -3.816 1.00 0.00 C ATOM 560 CE LYS A 40 8.953 -12.680 -5.231 1.00 0.00 C ATOM 561 NZ LYS A 40 9.532 -11.401 -5.728 1.00 0.00 N ATOM 0 H LYS A 40 3.549 -12.286 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 40 5.951 -11.801 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.094 -13.285 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.103 -12.070 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.075 -13.675 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.215 -14.281 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.203 -11.498 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.176 -12.868 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.716 -13.458 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.150 -12.998 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.938 -11.026 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.570 -10.712 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.493 -11.571 -6.087 1.00 0.00 H new ATOM 575 N GLU A 41 5.064 -9.488 -4.153 1.00 0.00 N ATOM 576 CA GLU A 41 5.365 -8.141 -4.625 1.00 0.00 C ATOM 577 C GLU A 41 5.621 -7.193 -3.457 1.00 0.00 C ATOM 578 O GLU A 41 6.368 -6.224 -3.585 1.00 0.00 O ATOM 579 CB GLU A 41 4.214 -7.608 -5.480 1.00 0.00 C ATOM 580 CG GLU A 41 4.269 -8.065 -6.928 1.00 0.00 C ATOM 581 CD GLU A 41 3.364 -7.251 -7.831 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.402 -6.006 -7.743 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.617 -7.859 -8.628 1.00 0.00 O ATOM 0 H GLU A 41 4.163 -9.851 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 41 6.269 -8.194 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.269 -7.929 -5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.225 -6.518 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.295 -7.994 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.983 -9.115 -6.985 1.00 0.00 H new ATOM 590 N LEU A 42 4.994 -7.477 -2.320 1.00 0.00 N ATOM 591 CA LEU A 42 5.153 -6.644 -1.135 1.00 0.00 C ATOM 592 C LEU A 42 6.484 -6.924 -0.439 1.00 0.00 C ATOM 593 O LEU A 42 7.306 -6.024 -0.272 1.00 0.00 O ATOM 594 CB LEU A 42 3.993 -6.875 -0.163 1.00 0.00 C ATOM 595 CG LEU A 42 3.226 -5.612 0.233 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.156 -4.609 0.899 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.559 -4.992 -0.986 1.00 0.00 C ATOM 0 H LEU A 42 4.372 -8.276 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 42 5.148 -5.602 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.295 -7.581 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.382 -7.345 0.740 1.00 0.00 H new ATOM 0 HG LEU A 42 2.451 -5.889 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.593 -3.717 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.590 -5.054 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.953 -4.336 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.017 -4.094 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.319 -4.729 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.862 -5.708 -1.423 1.00 0.00 H new ATOM 609 N GLY A 43 6.686 -8.174 -0.035 1.00 0.00 N ATOM 610 CA GLY A 43 7.918 -8.550 0.640 1.00 0.00 C ATOM 611 C GLY A 43 9.158 -8.035 -0.068 1.00 0.00 C ATOM 612 O GLY A 43 10.186 -7.795 0.563 1.00 0.00 O ATOM 0 H GLY A 43 6.019 -8.935 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.901 -8.164 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.971 -9.636 0.711 1.00 0.00 H new ATOM 616 N THR A 44 9.059 -7.866 -1.381 1.00 0.00 N ATOM 617 CA THR A 44 10.179 -7.378 -2.179 1.00 0.00 C ATOM 618 C THR A 44 10.675 -6.028 -1.661 1.00 0.00 C ATOM 619 O THR A 44 11.698 -5.946 -0.982 1.00 0.00 O ATOM 620 CB THR A 44 9.762 -7.261 -3.653 1.00 0.00 C ATOM 621 OG1 THR A 44 9.902 -8.507 -4.311 1.00 0.00 O ATOM 622 CG2 THR A 44 10.558 -6.237 -4.442 1.00 0.00 C ATOM 0 H THR A 44 8.213 -8.060 -1.917 1.00 0.00 H new ATOM 0 HA THR A 44 10.997 -8.093 -2.095 1.00 0.00 H new ATOM 0 HB THR A 44 8.723 -6.934 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.630 -8.414 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.203 -6.215 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.430 -5.252 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.614 -6.507 -4.428 1.00 0.00 H new ATOM 630 N VAL A 45 9.945 -4.974 -2.003 1.00 0.00 N ATOM 631 CA VAL A 45 10.299 -3.621 -1.597 1.00 0.00 C ATOM 632 C VAL A 45 10.287 -3.463 -0.079 1.00 0.00 C ATOM 633 O VAL A 45 10.996 -2.620 0.470 1.00 0.00 O ATOM 634 CB VAL A 45 9.336 -2.597 -2.224 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.901 -2.919 -1.841 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.704 -1.179 -1.813 1.00 0.00 C ATOM 0 H VAL A 45 9.096 -5.032 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 45 11.312 -3.436 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 45 9.426 -2.661 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.231 -2.187 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.643 -3.915 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.798 -2.886 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.008 -0.476 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.651 -1.089 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.717 -0.955 -2.146 1.00 0.00 H new ATOM 646 N MET A 46 9.475 -4.268 0.597 1.00 0.00 N ATOM 647 CA MET A 46 9.377 -4.196 2.050 1.00 0.00 C ATOM 648 C MET A 46 10.605 -4.805 2.722 1.00 0.00 C ATOM 649 O MET A 46 10.982 -4.401 3.821 1.00 0.00 O ATOM 650 CB MET A 46 8.110 -4.906 2.537 1.00 0.00 C ATOM 651 CG MET A 46 6.900 -3.990 2.640 1.00 0.00 C ATOM 652 SD MET A 46 7.174 -2.595 3.750 1.00 0.00 S ATOM 653 CE MET A 46 5.541 -2.396 4.459 1.00 0.00 C ATOM 0 H MET A 46 8.878 -4.974 0.165 1.00 0.00 H new ATOM 0 HA MET A 46 9.326 -3.143 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.878 -5.725 1.856 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.304 -5.349 3.514 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.648 -3.615 1.648 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.043 -4.565 2.991 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.497 -1.459 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.798 -2.382 3.662 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.334 -3.227 5.134 1.00 0.00 H new ATOM 663 N ARG A 47 11.224 -5.779 2.061 1.00 0.00 N ATOM 664 CA ARG A 47 12.405 -6.440 2.609 1.00 0.00 C ATOM 665 C ARG A 47 13.689 -5.717 2.209 1.00 0.00 C ATOM 666 O ARG A 47 14.695 -5.791 2.914 1.00 0.00 O ATOM 667 CB ARG A 47 12.466 -7.896 2.145 1.00 0.00 C ATOM 668 CG ARG A 47 11.414 -8.784 2.790 1.00 0.00 C ATOM 669 CD ARG A 47 11.316 -10.131 2.089 1.00 0.00 C ATOM 670 NE ARG A 47 12.088 -11.162 2.776 1.00 0.00 N ATOM 671 CZ ARG A 47 11.903 -12.469 2.600 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.974 -12.906 1.759 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.649 -13.340 3.265 1.00 0.00 N ATOM 0 H ARG A 47 10.929 -6.127 1.149 1.00 0.00 H new ATOM 0 HA ARG A 47 12.322 -6.410 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.344 -7.929 1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.455 -8.298 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.660 -8.937 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.446 -8.285 2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.271 -10.436 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.673 -10.033 1.064 1.00 0.00 H new ATOM 0 HE ARG A 47 12.812 -10.864 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.398 -12.240 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.836 -13.908 1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.365 -13.009 3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.507 -14.341 3.130 1.00 0.00 H new ATOM 687 N MET A 48 13.655 -5.022 1.076 1.00 0.00 N ATOM 688 CA MET A 48 14.827 -4.298 0.597 1.00 0.00 C ATOM 689 C MET A 48 14.816 -2.844 1.065 1.00 0.00 C ATOM 690 O MET A 48 15.620 -2.032 0.608 1.00 0.00 O ATOM 691 CB MET A 48 14.901 -4.353 -0.930 1.00 0.00 C ATOM 692 CG MET A 48 13.730 -3.674 -1.621 1.00 0.00 C ATOM 693 SD MET A 48 14.250 -2.479 -2.867 1.00 0.00 S ATOM 694 CE MET A 48 12.844 -1.371 -2.874 1.00 0.00 C ATOM 0 H MET A 48 12.834 -4.945 0.476 1.00 0.00 H new ATOM 0 HA MET A 48 15.708 -4.783 1.017 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.828 -3.882 -1.258 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.944 -5.395 -1.246 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.102 -4.431 -2.090 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.116 -3.170 -0.874 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.892 -0.728 -3.753 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.923 -1.953 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.860 -0.757 -1.974 1.00 0.00 H new ATOM 704 N LEU A 49 13.902 -2.515 1.976 1.00 0.00 N ATOM 705 CA LEU A 49 13.800 -1.156 2.494 1.00 0.00 C ATOM 706 C LEU A 49 14.017 -1.127 4.005 1.00 0.00 C ATOM 707 O LEU A 49 14.689 -0.237 4.526 1.00 0.00 O ATOM 708 CB LEU A 49 12.435 -0.557 2.148 1.00 0.00 C ATOM 709 CG LEU A 49 12.292 -0.055 0.710 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.965 0.665 0.528 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.451 0.860 0.341 1.00 0.00 C ATOM 0 H LEU A 49 13.225 -3.169 2.368 1.00 0.00 H new ATOM 0 HA LEU A 49 14.581 -0.557 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.668 -1.310 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.237 0.272 2.827 1.00 0.00 H new ATOM 0 HG LEU A 49 12.312 -0.917 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.879 1.016 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.146 -0.020 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.917 1.516 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.329 1.205 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.466 1.718 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.389 0.313 0.431 1.00 0.00 H new ATOM 723 N GLY A 50 13.446 -2.104 4.703 1.00 0.00 N ATOM 724 CA GLY A 50 13.596 -2.165 6.146 1.00 0.00 C ATOM 725 C GLY A 50 12.585 -3.086 6.801 1.00 0.00 C ATOM 726 O GLY A 50 12.896 -3.753 7.788 1.00 0.00 O ATOM 0 H GLY A 50 12.884 -2.852 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.603 -2.506 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.490 -1.163 6.561 1.00 0.00 H new ATOM 730 N GLN A 51 11.374 -3.121 6.257 1.00 0.00 N ATOM 731 CA GLN A 51 10.317 -3.967 6.800 1.00 0.00 C ATOM 732 C GLN A 51 10.641 -5.444 6.595 1.00 0.00 C ATOM 733 O GLN A 51 11.475 -5.796 5.761 1.00 0.00 O ATOM 734 CB GLN A 51 8.977 -3.630 6.144 1.00 0.00 C ATOM 735 CG GLN A 51 7.802 -3.666 7.108 1.00 0.00 C ATOM 736 CD GLN A 51 7.495 -2.305 7.703 1.00 0.00 C ATOM 737 OE1 GLN A 51 6.489 -1.681 7.367 1.00 0.00 O ATOM 738 NE2 GLN A 51 8.365 -1.838 8.592 1.00 0.00 N ATOM 0 H GLN A 51 11.099 -2.574 5.441 1.00 0.00 H new ATOM 0 HA GLN A 51 10.247 -3.775 7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.040 -2.638 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.792 -4.334 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.920 -4.038 6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.018 -4.370 7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.186 -2.390 8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.212 -0.928 9.026 1.00 0.00 H new ATOM 747 N ASN A 52 9.980 -6.303 7.362 1.00 0.00 N ATOM 748 CA ASN A 52 10.202 -7.740 7.260 1.00 0.00 C ATOM 749 C ASN A 52 8.904 -8.517 7.478 1.00 0.00 C ATOM 750 O ASN A 52 8.854 -9.443 8.288 1.00 0.00 O ATOM 751 CB ASN A 52 11.253 -8.182 8.277 1.00 0.00 C ATOM 752 CG ASN A 52 12.104 -9.329 7.770 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.240 -9.131 7.338 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.559 -10.539 7.819 1.00 0.00 N ATOM 0 H ASN A 52 9.288 -6.030 8.060 1.00 0.00 H new ATOM 0 HA ASN A 52 10.561 -7.956 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.896 -7.337 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.757 -8.482 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.085 -11.349 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.614 -10.658 8.185 1.00 0.00 H new ATOM 761 N PRO A 53 7.834 -8.153 6.753 1.00 0.00 N ATOM 762 CA PRO A 53 6.537 -8.824 6.870 1.00 0.00 C ATOM 763 C PRO A 53 6.541 -10.201 6.217 1.00 0.00 C ATOM 764 O PRO A 53 6.564 -10.317 4.991 1.00 0.00 O ATOM 765 CB PRO A 53 5.588 -7.882 6.132 1.00 0.00 C ATOM 766 CG PRO A 53 6.447 -7.201 5.124 1.00 0.00 C ATOM 767 CD PRO A 53 7.804 -7.062 5.760 1.00 0.00 C ATOM 0 HA PRO A 53 6.258 -9.003 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.776 -8.431 5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.131 -7.165 6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.505 -7.783 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.039 -6.226 4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.603 -7.165 5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.928 -6.087 6.231 1.00 0.00 H new ATOM 775 N THR A 54 6.521 -11.243 7.042 1.00 0.00 N ATOM 776 CA THR A 54 6.525 -12.615 6.544 1.00 0.00 C ATOM 777 C THR A 54 5.355 -12.856 5.595 1.00 0.00 C ATOM 778 O THR A 54 4.569 -11.949 5.319 1.00 0.00 O ATOM 779 CB THR A 54 6.461 -13.603 7.709 1.00 0.00 C ATOM 780 OG1 THR A 54 5.294 -13.391 8.484 1.00 0.00 O ATOM 781 CG2 THR A 54 7.652 -13.510 8.639 1.00 0.00 C ATOM 0 H THR A 54 6.502 -11.164 8.059 1.00 0.00 H new ATOM 0 HA THR A 54 7.453 -12.770 5.994 1.00 0.00 H new ATOM 0 HB THR A 54 6.455 -14.591 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.271 -14.034 9.223 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.543 -14.238 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.566 -13.718 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.706 -12.507 9.062 1.00 0.00 H new ATOM 789 N LYS A 55 5.246 -14.085 5.096 1.00 0.00 N ATOM 790 CA LYS A 55 4.172 -14.445 4.179 1.00 0.00 C ATOM 791 C LYS A 55 2.807 -14.176 4.804 1.00 0.00 C ATOM 792 O LYS A 55 1.981 -13.464 4.233 1.00 0.00 O ATOM 793 CB LYS A 55 4.283 -15.919 3.784 1.00 0.00 C ATOM 794 CG LYS A 55 3.431 -16.291 2.582 1.00 0.00 C ATOM 795 CD LYS A 55 4.060 -15.813 1.283 1.00 0.00 C ATOM 796 CE LYS A 55 3.029 -15.706 0.172 1.00 0.00 C ATOM 797 NZ LYS A 55 3.592 -16.100 -1.149 1.00 0.00 N ATOM 0 H LYS A 55 5.889 -14.847 5.312 1.00 0.00 H new ATOM 0 HA LYS A 55 4.270 -13.828 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.325 -16.151 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.990 -16.537 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.301 -17.373 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.438 -15.854 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.529 -14.842 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.849 -16.503 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.175 -16.342 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.659 -14.682 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.857 -16.013 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.391 -15.477 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.922 -17.085 -1.106 1.00 0.00 H new ATOM 811 N CYS A 56 2.579 -14.747 5.982 1.00 0.00 N ATOM 812 CA CYS A 56 1.316 -14.567 6.687 1.00 0.00 C ATOM 813 C CYS A 56 1.099 -13.100 7.043 1.00 0.00 C ATOM 814 O CYS A 56 -0.037 -12.630 7.113 1.00 0.00 O ATOM 815 CB CYS A 56 1.290 -15.421 7.956 1.00 0.00 C ATOM 816 SG CYS A 56 0.615 -17.080 7.713 1.00 0.00 S ATOM 0 H CYS A 56 3.253 -15.338 6.468 1.00 0.00 H new ATOM 0 HA CYS A 56 0.510 -14.886 6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.305 -15.506 8.345 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.700 -14.907 8.715 1.00 0.00 H new ATOM 0 HG CYS A 56 0.636 -17.727 8.841 1.00 0.00 H new ATOM 822 N GLU A 57 2.194 -12.380 7.265 1.00 0.00 N ATOM 823 CA GLU A 57 2.123 -10.966 7.612 1.00 0.00 C ATOM 824 C GLU A 57 1.414 -10.173 6.518 1.00 0.00 C ATOM 825 O GLU A 57 0.439 -9.470 6.780 1.00 0.00 O ATOM 826 CB GLU A 57 3.528 -10.405 7.841 1.00 0.00 C ATOM 827 CG GLU A 57 3.660 -9.604 9.126 1.00 0.00 C ATOM 828 CD GLU A 57 3.045 -8.222 9.017 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.754 -7.290 8.582 1.00 0.00 O ATOM 830 OE2 GLU A 57 1.856 -8.072 9.367 1.00 0.00 O ATOM 0 H GLU A 57 3.142 -12.753 7.211 1.00 0.00 H new ATOM 0 HA GLU A 57 1.548 -10.870 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.241 -11.229 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.799 -9.770 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.180 -10.148 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.715 -9.509 9.384 1.00 0.00 H new ATOM 837 N LEU A 58 1.910 -10.293 5.291 1.00 0.00 N ATOM 838 CA LEU A 58 1.322 -9.588 4.158 1.00 0.00 C ATOM 839 C LEU A 58 0.005 -10.236 3.741 1.00 0.00 C ATOM 840 O LEU A 58 -0.930 -9.554 3.323 1.00 0.00 O ATOM 841 CB LEU A 58 2.296 -9.572 2.977 1.00 0.00 C ATOM 842 CG LEU A 58 3.740 -9.209 3.332 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.706 -9.809 2.322 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.910 -7.699 3.400 1.00 0.00 C ATOM 0 H LEU A 58 2.717 -10.871 5.056 1.00 0.00 H new ATOM 0 HA LEU A 58 1.120 -8.562 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.290 -10.556 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.931 -8.862 2.235 1.00 0.00 H new ATOM 0 HG LEU A 58 3.967 -9.625 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.727 -9.540 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.605 -10.894 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.479 -9.423 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.943 -7.460 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.663 -7.261 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.246 -7.292 4.162 1.00 0.00 H new ATOM 856 N ASP A 59 -0.062 -11.559 3.862 1.00 0.00 N ATOM 857 CA ASP A 59 -1.265 -12.301 3.501 1.00 0.00 C ATOM 858 C ASP A 59 -2.425 -11.945 4.422 1.00 0.00 C ATOM 859 O ASP A 59 -3.589 -12.076 4.044 1.00 0.00 O ATOM 860 CB ASP A 59 -0.999 -13.807 3.554 1.00 0.00 C ATOM 861 CG ASP A 59 -0.605 -14.371 2.203 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.453 -14.361 1.285 1.00 0.00 O ATOM 863 OD2 ASP A 59 0.549 -14.825 2.064 1.00 0.00 O ATOM 0 H ASP A 59 0.703 -12.139 4.207 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.537 -12.023 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.206 -14.008 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.892 -14.319 3.912 1.00 0.00 H new ATOM 868 N ALA A 60 -2.105 -11.492 5.628 1.00 0.00 N ATOM 869 CA ALA A 60 -3.132 -11.120 6.589 1.00 0.00 C ATOM 870 C ALA A 60 -3.701 -9.742 6.272 1.00 0.00 C ATOM 871 O ALA A 60 -4.875 -9.472 6.522 1.00 0.00 O ATOM 872 CB ALA A 60 -2.576 -11.156 8.003 1.00 0.00 C ATOM 0 H ALA A 60 -1.148 -11.374 5.961 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.943 -11.845 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.358 -10.875 8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.226 -12.163 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.745 -10.456 8.085 1.00 0.00 H new ATOM 878 N ILE A 61 -2.862 -8.876 5.713 1.00 0.00 N ATOM 879 CA ILE A 61 -3.283 -7.530 5.355 1.00 0.00 C ATOM 880 C ILE A 61 -4.000 -7.534 4.007 1.00 0.00 C ATOM 881 O ILE A 61 -5.148 -7.102 3.908 1.00 0.00 O ATOM 882 CB ILE A 61 -2.079 -6.561 5.316 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.687 -6.153 6.737 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.392 -5.329 4.477 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.542 -6.964 7.302 1.00 0.00 C ATOM 0 H ILE A 61 -1.887 -9.084 5.499 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.976 -7.182 6.121 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.240 -7.078 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.412 -5.098 6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.554 -6.259 7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.527 -4.666 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.627 -5.633 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.247 -4.805 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.317 -6.621 8.312 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.821 -8.017 7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.338 -6.839 6.672 1.00 0.00 H new ATOM 897 N ILE A 62 -3.321 -8.036 2.974 1.00 0.00 N ATOM 898 CA ILE A 62 -3.899 -8.105 1.633 1.00 0.00 C ATOM 899 C ILE A 62 -5.320 -8.659 1.679 1.00 0.00 C ATOM 900 O ILE A 62 -6.232 -8.118 1.053 1.00 0.00 O ATOM 901 CB ILE A 62 -3.043 -8.983 0.698 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.659 -8.359 0.509 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.734 -9.169 -0.648 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.796 -9.093 -0.494 1.00 0.00 C ATOM 0 H ILE A 62 -2.371 -8.400 3.041 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.921 -7.088 1.241 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.924 -9.964 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.777 -7.325 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.145 -8.336 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.113 -9.791 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.700 -9.652 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.884 -8.197 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.170 -8.595 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.647 -10.121 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.288 -9.093 -1.466 1.00 0.00 H new ATOM 916 N CYS A 63 -5.501 -9.740 2.432 1.00 0.00 N ATOM 917 CA CYS A 63 -6.810 -10.366 2.568 1.00 0.00 C ATOM 918 C CYS A 63 -7.851 -9.352 3.036 1.00 0.00 C ATOM 919 O CYS A 63 -9.047 -9.517 2.798 1.00 0.00 O ATOM 920 CB CYS A 63 -6.736 -11.535 3.553 1.00 0.00 C ATOM 921 SG CYS A 63 -7.959 -12.832 3.251 1.00 0.00 S ATOM 0 H CYS A 63 -4.757 -10.200 2.957 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.112 -10.742 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.739 -11.973 3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.870 -11.153 4.565 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.816 -13.777 4.132 1.00 0.00 H new ATOM 927 N GLU A 64 -7.384 -8.297 3.701 1.00 0.00 N ATOM 928 CA GLU A 64 -8.268 -7.253 4.200 1.00 0.00 C ATOM 929 C GLU A 64 -8.342 -6.087 3.217 1.00 0.00 C ATOM 930 O GLU A 64 -9.388 -5.456 3.070 1.00 0.00 O ATOM 931 CB GLU A 64 -7.785 -6.756 5.564 1.00 0.00 C ATOM 932 CG GLU A 64 -8.404 -7.501 6.736 1.00 0.00 C ATOM 933 CD GLU A 64 -7.522 -7.485 7.970 1.00 0.00 C ATOM 934 OE1 GLU A 64 -7.639 -6.534 8.771 1.00 0.00 O ATOM 935 OE2 GLU A 64 -6.713 -8.423 8.133 1.00 0.00 O ATOM 0 H GLU A 64 -6.396 -8.145 3.905 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.266 -7.677 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.701 -6.853 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.014 -5.694 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.368 -7.054 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.596 -8.534 6.445 1.00 0.00 H new ATOM 942 N VAL A 65 -7.228 -5.806 2.545 1.00 0.00 N ATOM 943 CA VAL A 65 -7.183 -4.714 1.578 1.00 0.00 C ATOM 944 C VAL A 65 -8.026 -5.048 0.349 1.00 0.00 C ATOM 945 O VAL A 65 -8.603 -4.162 -0.282 1.00 0.00 O ATOM 946 CB VAL A 65 -5.733 -4.374 1.138 1.00 0.00 C ATOM 947 CG1 VAL A 65 -4.754 -4.543 2.294 1.00 0.00 C ATOM 948 CG2 VAL A 65 -5.297 -5.215 -0.054 1.00 0.00 C ATOM 0 H VAL A 65 -6.351 -6.316 2.651 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.595 -3.837 2.077 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.727 -3.328 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.747 -4.298 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.035 -3.877 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.779 -5.575 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.277 -4.949 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.337 -6.271 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.964 -5.027 -0.895 1.00 0.00 H new ATOM 958 N ASP A 66 -8.089 -6.334 0.019 1.00 0.00 N ATOM 959 CA ASP A 66 -8.858 -6.793 -1.130 1.00 0.00 C ATOM 960 C ASP A 66 -10.325 -6.987 -0.761 1.00 0.00 C ATOM 961 O ASP A 66 -10.671 -7.898 -0.009 1.00 0.00 O ATOM 962 CB ASP A 66 -8.278 -8.103 -1.664 1.00 0.00 C ATOM 963 CG ASP A 66 -7.091 -7.878 -2.582 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.070 -7.336 -2.109 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.184 -8.244 -3.772 1.00 0.00 O ATOM 0 H ASP A 66 -7.615 -7.077 0.533 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.796 -6.031 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.972 -8.730 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.053 -8.647 -2.203 1.00 0.00 H new ATOM 970 N GLU A 67 -11.183 -6.125 -1.297 1.00 0.00 N ATOM 971 CA GLU A 67 -12.613 -6.201 -1.023 1.00 0.00 C ATOM 972 C GLU A 67 -13.278 -7.272 -1.884 1.00 0.00 C ATOM 973 O GLU A 67 -14.305 -7.835 -1.506 1.00 0.00 O ATOM 974 CB GLU A 67 -13.273 -4.845 -1.276 1.00 0.00 C ATOM 975 CG GLU A 67 -13.195 -4.392 -2.725 1.00 0.00 C ATOM 976 CD GLU A 67 -14.512 -4.558 -3.459 1.00 0.00 C ATOM 977 OE1 GLU A 67 -15.543 -4.074 -2.944 1.00 0.00 O ATOM 978 OE2 GLU A 67 -14.512 -5.169 -4.547 1.00 0.00 O ATOM 0 H GLU A 67 -10.913 -5.366 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.743 -6.472 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.320 -4.898 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.798 -4.095 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.894 -3.345 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.422 -4.963 -3.239 1.00 0.00 H new ATOM 985 N ASP A 68 -12.687 -7.547 -3.042 1.00 0.00 N ATOM 986 CA ASP A 68 -13.225 -8.550 -3.955 1.00 0.00 C ATOM 987 C ASP A 68 -12.497 -9.885 -3.807 1.00 0.00 C ATOM 988 O ASP A 68 -12.601 -10.755 -4.671 1.00 0.00 O ATOM 989 CB ASP A 68 -13.117 -8.059 -5.400 1.00 0.00 C ATOM 990 CG ASP A 68 -11.680 -7.827 -5.827 1.00 0.00 C ATOM 991 OD1 ASP A 68 -10.939 -7.157 -5.076 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.296 -8.317 -6.909 1.00 0.00 O ATOM 0 H ASP A 68 -11.836 -7.090 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.274 -8.704 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.577 -8.790 -6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.679 -7.132 -5.509 1.00 0.00 H new ATOM 997 N GLY A 69 -11.761 -10.045 -2.708 1.00 0.00 N ATOM 998 CA GLY A 69 -11.031 -11.281 -2.476 1.00 0.00 C ATOM 999 C GLY A 69 -10.210 -11.710 -3.679 1.00 0.00 C ATOM 1000 O GLY A 69 -10.396 -12.807 -4.206 1.00 0.00 O ATOM 0 H GLY A 69 -11.658 -9.342 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.371 -11.153 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.736 -12.072 -2.221 1.00 0.00 H new ATOM 1004 N SER A 70 -9.306 -10.841 -4.114 1.00 0.00 N ATOM 1005 CA SER A 70 -8.457 -11.132 -5.265 1.00 0.00 C ATOM 1006 C SER A 70 -7.003 -11.333 -4.845 1.00 0.00 C ATOM 1007 O SER A 70 -6.224 -11.962 -5.561 1.00 0.00 O ATOM 1008 CB SER A 70 -8.547 -9.997 -6.288 1.00 0.00 C ATOM 1009 OG SER A 70 -8.906 -8.775 -5.665 1.00 0.00 O ATOM 0 H SER A 70 -9.141 -9.929 -3.688 1.00 0.00 H new ATOM 0 HA SER A 70 -8.814 -12.057 -5.717 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.588 -9.883 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.283 -10.249 -7.052 1.00 0.00 H new ATOM 0 HG SER A 70 -8.154 -8.448 -5.129 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.640 -10.788 -3.688 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.276 -10.916 -3.208 1.00 0.00 C ATOM 1017 C GLY A 71 -4.343 -9.896 -3.835 1.00 0.00 C ATOM 1018 O GLY A 71 -3.155 -9.857 -3.517 1.00 0.00 O ATOM 0 H GLY A 71 -7.264 -10.262 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.263 -10.799 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.910 -11.920 -3.424 1.00 0.00 H new ATOM 1022 N THR A 72 -4.880 -9.066 -4.728 1.00 0.00 N ATOM 1023 CA THR A 72 -4.084 -8.045 -5.394 1.00 0.00 C ATOM 1024 C THR A 72 -4.472 -6.654 -4.904 1.00 0.00 C ATOM 1025 O THR A 72 -5.571 -6.452 -4.385 1.00 0.00 O ATOM 1026 CB THR A 72 -4.258 -8.136 -6.912 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.438 -7.472 -7.325 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.326 -9.559 -7.426 1.00 0.00 C ATOM 0 H THR A 72 -5.862 -9.083 -5.004 1.00 0.00 H new ATOM 0 HA THR A 72 -3.036 -8.218 -5.150 1.00 0.00 H new ATOM 0 HB THR A 72 -3.371 -7.659 -7.330 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.529 -7.541 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.450 -9.549 -8.509 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.405 -10.082 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.173 -10.071 -6.969 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.561 -5.700 -5.062 1.00 0.00 N ATOM 1037 CA ILE A 73 -3.803 -4.330 -4.625 1.00 0.00 C ATOM 1038 C ILE A 73 -3.904 -3.374 -5.811 1.00 0.00 C ATOM 1039 O ILE A 73 -2.966 -3.242 -6.596 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.681 -3.849 -3.684 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.570 -4.775 -2.470 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -2.928 -2.414 -3.241 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.349 -4.507 -1.617 1.00 0.00 C ATOM 0 H ILE A 73 -2.647 -5.850 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.753 -4.329 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.738 -3.879 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.464 -4.665 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.544 -5.809 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.124 -2.095 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.957 -1.763 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.880 -2.355 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.334 -5.199 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.449 -4.645 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.383 -3.483 -1.244 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.046 -2.705 -5.927 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.271 -1.754 -7.010 1.00 0.00 C ATOM 1057 C ASP A 74 -4.578 -0.426 -6.720 1.00 0.00 C ATOM 1058 O ASP A 74 -3.779 -0.322 -5.789 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.770 -1.528 -7.214 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.142 -1.415 -8.680 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -6.871 -2.370 -9.438 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.706 -0.371 -9.070 1.00 0.00 O ATOM 0 H ASP A 74 -5.831 -2.804 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.847 -2.172 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.324 -2.352 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.072 -0.619 -6.694 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.889 0.586 -7.523 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.295 1.907 -7.353 1.00 0.00 C ATOM 1069 C PHE A 75 -4.664 2.500 -5.997 1.00 0.00 C ATOM 1070 O PHE A 75 -3.818 2.621 -5.111 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.751 2.843 -8.473 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.320 2.396 -9.840 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.008 2.565 -10.257 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -5.224 1.808 -10.710 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.609 2.155 -11.514 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -4.830 1.396 -11.968 1.00 0.00 C ATOM 1077 CZ PHE A 75 -3.520 1.570 -12.370 1.00 0.00 C ATOM 0 H PHE A 75 -5.549 0.517 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.211 1.798 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.838 2.921 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.356 3.841 -8.285 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.291 3.022 -9.592 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.249 1.670 -10.401 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.584 2.292 -11.827 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.545 0.939 -12.636 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.209 1.249 -13.353 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.932 2.868 -5.840 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.409 3.448 -4.591 1.00 0.00 C ATOM 1089 C GLU A 76 -6.379 2.422 -3.463 1.00 0.00 C ATOM 1090 O GLU A 76 -6.232 2.776 -2.293 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.833 3.982 -4.760 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.907 5.302 -5.508 1.00 0.00 C ATOM 1093 CD GLU A 76 -9.252 5.522 -6.171 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -9.498 4.912 -7.233 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -10.060 6.305 -5.628 1.00 0.00 O ATOM 0 H GLU A 76 -6.646 2.775 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.743 4.271 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.429 3.240 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.284 4.107 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.710 6.120 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.124 5.330 -6.266 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.525 1.150 -3.822 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.521 0.075 -2.837 1.00 0.00 C ATOM 1104 C GLU A 77 -5.270 0.128 -1.965 1.00 0.00 C ATOM 1105 O GLU A 77 -5.319 -0.203 -0.781 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.627 -1.285 -3.532 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.947 -1.991 -3.269 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.201 -3.137 -4.231 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.242 -3.575 -4.900 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.359 -3.597 -4.314 1.00 0.00 O ATOM 0 H GLU A 77 -6.647 0.840 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.388 0.210 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.504 -1.147 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.809 -1.922 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.953 -2.371 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.761 -1.270 -3.346 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.154 0.557 -2.551 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.897 0.660 -1.813 1.00 0.00 C ATOM 1119 C PHE A 78 -3.017 1.664 -0.669 1.00 0.00 C ATOM 1120 O PHE A 78 -2.186 1.683 0.240 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.755 1.064 -2.744 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.397 0.758 -2.183 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.164 1.569 -1.209 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.315 -0.345 -2.625 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.412 1.286 -0.689 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.564 -0.632 -2.108 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.114 0.185 -1.138 1.00 0.00 C ATOM 0 H PHE A 78 -4.094 0.838 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.677 -0.321 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.872 0.548 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.823 2.132 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.380 2.431 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.111 -0.987 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.839 1.926 0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.110 -1.494 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.090 -0.037 -0.732 1.00 0.00 H new ATOM 1137 N LEU A 79 -4.057 2.488 -0.706 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.282 3.471 0.341 1.00 0.00 C ATOM 1139 C LEU A 79 -5.205 2.885 1.402 1.00 0.00 C ATOM 1140 O LEU A 79 -4.971 3.040 2.600 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.887 4.751 -0.241 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.953 5.547 -1.158 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.437 5.487 -2.599 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.845 6.993 -0.692 1.00 0.00 C ATOM 0 H LEU A 79 -4.756 2.494 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.325 3.725 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.785 4.489 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.200 5.394 0.581 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.962 5.096 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.760 6.058 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.459 4.450 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.439 5.910 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.177 7.541 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.832 7.455 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.448 7.020 0.323 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.246 2.193 0.946 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.201 1.563 1.848 1.00 0.00 C ATOM 1158 C VAL A 80 -6.520 0.506 2.699 1.00 0.00 C ATOM 1159 O VAL A 80 -6.803 0.373 3.889 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.356 0.897 1.079 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.456 0.475 2.038 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.895 1.832 0.014 1.00 0.00 C ATOM 0 H VAL A 80 -6.448 2.055 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.602 2.354 2.482 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.975 0.004 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.266 0.006 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.055 -0.235 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.837 1.351 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.711 1.344 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.263 2.745 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.099 2.080 -0.689 1.00 0.00 H new ATOM 1172 N MET A 81 -5.616 -0.244 2.077 1.00 0.00 N ATOM 1173 CA MET A 81 -4.881 -1.294 2.769 1.00 0.00 C ATOM 1174 C MET A 81 -4.346 -0.779 4.098 1.00 0.00 C ATOM 1175 O MET A 81 -4.389 -1.471 5.114 1.00 0.00 O ATOM 1176 CB MET A 81 -3.727 -1.796 1.901 1.00 0.00 C ATOM 1177 CG MET A 81 -3.041 -0.716 1.099 1.00 0.00 C ATOM 1178 SD MET A 81 -1.255 -0.937 1.013 1.00 0.00 S ATOM 1179 CE MET A 81 -0.867 -1.112 2.749 1.00 0.00 C ATOM 0 H MET A 81 -5.375 -0.143 1.091 1.00 0.00 H new ATOM 0 HA MET A 81 -5.563 -2.122 2.962 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.990 -2.281 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.105 -2.556 1.217 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.450 -0.705 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.261 0.255 1.543 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.124 -0.702 2.943 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.606 -0.574 3.343 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.882 -2.167 3.021 1.00 0.00 H new ATOM 1189 N MET A 82 -3.851 0.449 4.071 1.00 0.00 N ATOM 1190 CA MET A 82 -3.310 1.087 5.260 1.00 0.00 C ATOM 1191 C MET A 82 -4.416 1.802 6.038 1.00 0.00 C ATOM 1192 O MET A 82 -4.369 1.882 7.265 1.00 0.00 O ATOM 1193 CB MET A 82 -2.210 2.076 4.871 1.00 0.00 C ATOM 1194 CG MET A 82 -0.911 1.868 5.633 1.00 0.00 C ATOM 1195 SD MET A 82 0.308 3.157 5.306 1.00 0.00 S ATOM 1196 CE MET A 82 0.983 2.600 3.746 1.00 0.00 C ATOM 0 H MET A 82 -3.813 1.027 3.231 1.00 0.00 H new ATOM 0 HA MET A 82 -2.882 0.318 5.902 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.014 1.987 3.803 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.566 3.091 5.046 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.123 1.838 6.702 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.489 0.899 5.365 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.949 3.075 3.577 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.110 1.518 3.770 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.302 2.867 2.938 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.412 2.314 5.316 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.530 3.014 5.943 1.00 0.00 C ATOM 1208 C VAL A 83 -7.290 2.086 6.886 1.00 0.00 C ATOM 1209 O VAL A 83 -7.798 2.517 7.922 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.510 3.573 4.888 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.674 4.294 5.551 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.789 4.501 3.918 1.00 0.00 C ATOM 0 H VAL A 83 -5.467 2.257 4.299 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.110 3.845 6.509 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.910 2.730 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.348 4.677 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.213 3.599 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.295 5.123 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.499 4.883 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.352 5.335 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.999 3.950 3.407 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.365 0.811 6.519 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.064 -0.182 7.328 1.00 0.00 C ATOM 1224 C ARG A 84 -7.274 -0.526 8.590 1.00 0.00 C ATOM 1225 O ARG A 84 -7.822 -1.091 9.537 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.315 -1.449 6.508 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.125 -1.205 5.245 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.082 -2.354 4.965 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.406 -1.879 4.566 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.308 -2.635 3.945 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.035 -3.899 3.650 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.487 -2.124 3.618 1.00 0.00 N ATOM 0 H ARG A 84 -6.949 0.440 5.665 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.019 0.246 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.357 -1.891 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.837 -2.177 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.688 -0.277 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.451 -1.077 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.670 -2.985 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.173 -2.975 5.856 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.653 -0.912 4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.129 -4.297 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.731 -4.473 3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.702 -1.152 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.179 -2.702 3.142 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.989 -0.185 8.600 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.135 -0.460 9.750 1.00 0.00 C ATOM 1248 C GLN A 85 -4.788 0.828 10.491 1.00 0.00 C ATOM 1249 O GLN A 85 -4.431 0.803 11.670 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.850 -1.168 9.306 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.074 -2.235 8.245 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.152 -3.228 8.634 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.605 -3.253 9.778 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.567 -4.054 7.680 1.00 0.00 N ATOM 0 H GLN A 85 -5.517 0.282 7.826 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.684 -1.113 10.428 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.152 -0.425 8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.379 -1.626 10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.349 -1.756 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.140 -2.769 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.163 -3.997 6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.290 -4.745 7.882 1.00 0.00 H new ATOM 1263 N MET A 86 -4.893 1.954 9.791 1.00 0.00 N ATOM 1264 CA MET A 86 -4.590 3.253 10.376 1.00 0.00 C ATOM 1265 C MET A 86 -5.740 3.739 11.251 1.00 0.00 C ATOM 1266 O MET A 86 -5.548 4.053 12.427 1.00 0.00 O ATOM 1267 CB MET A 86 -4.304 4.269 9.270 1.00 0.00 C ATOM 1268 CG MET A 86 -2.847 4.302 8.840 1.00 0.00 C ATOM 1269 SD MET A 86 -2.423 5.800 7.931 1.00 0.00 S ATOM 1270 CE MET A 86 -1.979 5.101 6.343 1.00 0.00 C ATOM 0 H MET A 86 -5.187 1.991 8.815 1.00 0.00 H new ATOM 0 HA MET A 86 -3.706 3.149 11.005 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.925 4.037 8.405 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.596 5.261 9.615 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.211 4.225 9.721 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.636 3.432 8.217 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.491 5.862 5.734 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.297 4.264 6.492 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.878 4.751 5.835 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.934 3.801 10.672 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.114 4.249 11.400 1.00 0.00 C ATOM 1282 C LYS A 87 -8.538 3.217 12.441 1.00 0.00 C ATOM 1283 O LYS A 87 -9.026 3.568 13.515 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.266 4.514 10.429 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.158 5.849 9.710 1.00 0.00 C ATOM 1286 CD LYS A 87 -8.282 5.744 8.472 1.00 0.00 C ATOM 1287 CE LYS A 87 -6.860 6.200 8.756 1.00 0.00 C ATOM 1288 NZ LYS A 87 -6.630 7.606 8.322 1.00 0.00 N ATOM 0 H LYS A 87 -7.110 3.546 9.700 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.861 5.175 11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.299 3.714 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.208 4.481 10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.153 6.192 9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.745 6.596 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.271 4.713 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.707 6.350 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.657 6.112 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.159 5.542 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.831 8.007 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.413 7.624 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.485 8.170 8.504 1.00 0.00 H new ATOM 1384 N SER B 117 1.383 2.710 9.725 1.00 0.00 N ATOM 1385 CA SER B 117 2.645 3.426 9.859 1.00 0.00 C ATOM 1386 C SER B 117 3.653 2.935 8.826 1.00 0.00 C ATOM 1387 O SER B 117 4.864 3.002 9.040 1.00 0.00 O ATOM 1388 CB SER B 117 3.212 3.252 11.269 1.00 0.00 C ATOM 1389 OG SER B 117 3.861 2.000 11.409 1.00 0.00 O ATOM 0 HA SER B 117 2.456 4.485 9.685 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.917 4.056 11.482 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.407 3.331 12.000 1.00 0.00 H new ATOM 0 HG SER B 117 4.215 1.915 12.319 1.00 0.00 H new ATOM 1395 N ALA B 118 3.141 2.444 7.701 1.00 0.00 N ATOM 1396 CA ALA B 118 3.989 1.945 6.627 1.00 0.00 C ATOM 1397 C ALA B 118 4.592 3.091 5.817 1.00 0.00 C ATOM 1398 O ALA B 118 5.353 2.862 4.877 1.00 0.00 O ATOM 1399 CB ALA B 118 3.191 1.020 5.719 1.00 0.00 C ATOM 0 H ALA B 118 2.141 2.382 7.511 1.00 0.00 H new ATOM 0 HA ALA B 118 4.810 1.386 7.076 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.834 0.652 4.919 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.814 0.177 6.299 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.353 1.567 5.288 1.00 0.00 H new ATOM 1405 N ASP B 119 4.249 4.327 6.184 1.00 0.00 N ATOM 1406 CA ASP B 119 4.755 5.506 5.491 1.00 0.00 C ATOM 1407 C ASP B 119 6.261 5.408 5.258 1.00 0.00 C ATOM 1408 O ASP B 119 6.786 5.970 4.297 1.00 0.00 O ATOM 1409 CB ASP B 119 4.430 6.767 6.293 1.00 0.00 C ATOM 1410 CG ASP B 119 4.888 8.033 5.594 1.00 0.00 C ATOM 1411 OD1 ASP B 119 6.098 8.147 5.308 1.00 0.00 O ATOM 1412 OD2 ASP B 119 4.037 8.908 5.333 1.00 0.00 O ATOM 0 H ASP B 119 3.621 4.534 6.960 1.00 0.00 H new ATOM 0 HA ASP B 119 4.265 5.561 4.519 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.355 6.818 6.463 1.00 0.00 H new ATOM 0 HB3 ASP B 119 4.905 6.704 7.272 1.00 0.00 H new ATOM 1417 N ALA B 120 6.953 4.686 6.137 1.00 0.00 N ATOM 1418 CA ALA B 120 8.397 4.514 6.014 1.00 0.00 C ATOM 1419 C ALA B 120 8.761 3.986 4.632 1.00 0.00 C ATOM 1420 O ALA B 120 9.408 4.677 3.845 1.00 0.00 O ATOM 1421 CB ALA B 120 8.915 3.580 7.097 1.00 0.00 C ATOM 0 H ALA B 120 6.538 4.212 6.939 1.00 0.00 H new ATOM 0 HA ALA B 120 8.871 5.487 6.142 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.993 3.463 6.991 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.690 4.000 8.078 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.433 2.607 7.000 1.00 0.00 H new ATOM 1427 N MET B 121 8.329 2.764 4.333 1.00 0.00 N ATOM 1428 CA MET B 121 8.600 2.163 3.033 1.00 0.00 C ATOM 1429 C MET B 121 8.066 3.065 1.927 1.00 0.00 C ATOM 1430 O MET B 121 8.652 3.164 0.850 1.00 0.00 O ATOM 1431 CB MET B 121 7.957 0.777 2.936 1.00 0.00 C ATOM 1432 CG MET B 121 8.071 0.141 1.558 1.00 0.00 C ATOM 1433 SD MET B 121 6.548 -0.676 1.044 1.00 0.00 S ATOM 1434 CE MET B 121 5.394 0.690 1.131 1.00 0.00 C ATOM 0 H MET B 121 7.793 2.174 4.970 1.00 0.00 H new ATOM 0 HA MET B 121 9.678 2.051 2.917 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.423 0.119 3.669 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.903 0.856 3.203 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.332 0.908 0.828 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.884 -0.584 1.563 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.625 0.565 0.369 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.929 0.711 2.117 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.925 1.626 0.960 1.00 0.00 H new ATOM 1444 N LEU B 122 6.953 3.730 2.215 1.00 0.00 N ATOM 1445 CA LEU B 122 6.339 4.637 1.261 1.00 0.00 C ATOM 1446 C LEU B 122 7.272 5.809 0.977 1.00 0.00 C ATOM 1447 O LEU B 122 7.383 6.269 -0.157 1.00 0.00 O ATOM 1448 CB LEU B 122 4.998 5.146 1.798 1.00 0.00 C ATOM 1449 CG LEU B 122 3.810 4.198 1.606 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.895 3.021 2.567 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.497 4.946 1.798 1.00 0.00 C ATOM 0 H LEU B 122 6.459 3.656 3.104 1.00 0.00 H new ATOM 0 HA LEU B 122 6.159 4.097 0.331 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.107 5.353 2.863 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.767 6.094 1.311 1.00 0.00 H new ATOM 0 HG LEU B 122 3.845 3.810 0.588 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.041 2.362 2.412 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.817 2.469 2.385 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.888 3.388 3.593 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.663 4.258 1.658 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.459 5.362 2.805 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.428 5.753 1.069 1.00 0.00 H new ATOM 1463 N ARG B 123 7.948 6.286 2.020 1.00 0.00 N ATOM 1464 CA ARG B 123 8.880 7.400 1.881 1.00 0.00 C ATOM 1465 C ARG B 123 10.292 6.902 1.568 1.00 0.00 C ATOM 1466 O ARG B 123 11.195 7.696 1.306 1.00 0.00 O ATOM 1467 CB ARG B 123 8.894 8.239 3.160 1.00 0.00 C ATOM 1468 CG ARG B 123 9.574 9.590 2.994 1.00 0.00 C ATOM 1469 CD ARG B 123 10.333 9.988 4.251 1.00 0.00 C ATOM 1470 NE ARG B 123 10.829 11.360 4.178 1.00 0.00 N ATOM 1471 CZ ARG B 123 11.644 11.902 5.081 1.00 0.00 C ATOM 1472 NH1 ARG B 123 12.055 11.192 6.125 1.00 0.00 N ATOM 1473 NH2 ARG B 123 12.049 13.156 4.940 1.00 0.00 N ATOM 0 H ARG B 123 7.867 5.919 2.968 1.00 0.00 H new ATOM 0 HA ARG B 123 8.544 8.019 1.049 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.868 8.396 3.493 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.402 7.680 3.946 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.261 9.552 2.149 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.827 10.349 2.763 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.680 9.884 5.117 1.00 0.00 H new ATOM 0 HD3 ARG B 123 11.171 9.307 4.400 1.00 0.00 H new ATOM 0 HE ARG B 123 10.534 11.936 3.390 1.00 0.00 H new ATOM 0 HH11 ARG B 123 11.747 10.226 6.238 1.00 0.00 H new ATOM 0 HH12 ARG B 123 12.679 11.612 6.814 1.00 0.00 H new ATOM 0 HH21 ARG B 123 11.736 13.706 4.140 1.00 0.00 H new ATOM 0 HH22 ARG B 123 12.673 13.571 5.632 1.00 0.00 H new ATOM 1487 N ALA B 124 10.476 5.584 1.603 1.00 0.00 N ATOM 1488 CA ALA B 124 11.775 4.983 1.330 1.00 0.00 C ATOM 1489 C ALA B 124 12.299 5.373 -0.048 1.00 0.00 C ATOM 1490 O ALA B 124 13.156 6.247 -0.176 1.00 0.00 O ATOM 1491 CB ALA B 124 11.683 3.467 1.442 1.00 0.00 C ATOM 0 H ALA B 124 9.739 4.913 1.818 1.00 0.00 H new ATOM 0 HA ALA B 124 12.478 5.361 2.073 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.659 3.027 1.236 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.367 3.195 2.449 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.957 3.092 0.721 1.00 0.00 H new ATOM 1497 N LEU B 125 11.784 4.708 -1.076 1.00 0.00 N ATOM 1498 CA LEU B 125 12.200 4.966 -2.449 1.00 0.00 C ATOM 1499 C LEU B 125 11.694 6.321 -2.937 1.00 0.00 C ATOM 1500 O LEU B 125 12.290 6.932 -3.825 1.00 0.00 O ATOM 1501 CB LEU B 125 11.688 3.854 -3.361 1.00 0.00 C ATOM 1502 CG LEU B 125 11.948 2.441 -2.843 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.905 1.478 -3.377 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.349 1.987 -3.221 1.00 0.00 C ATOM 0 H LEU B 125 11.074 3.982 -0.983 1.00 0.00 H new ATOM 0 HA LEU B 125 13.289 4.986 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.615 3.983 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU B 125 12.155 3.960 -4.340 1.00 0.00 H new ATOM 0 HG LEU B 125 11.875 2.451 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU B 125 11.106 0.476 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.915 1.797 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.943 1.468 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.519 0.978 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.453 1.992 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU B 125 14.082 2.665 -2.784 1.00 0.00 H new