USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot -76:sc= 0.416 USER MOD Set 1.2: A 29 SER OG : rot 180:sc=-0.000659 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.11 (180deg=-0.719) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.46! C(o=-1.5!,f=-16!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -5.05! C(o=-5!,f=-4.6!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.13 F(o=-0.97,f=-0.13) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 50 MET CE :methyl 170:sc= -0.343 (180deg=-0.819) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00407) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -0.278 K(o=-0.28,f=-0.86!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= -0.282 (180deg=-1.57!) USER MOD Single : A 70 MET CE :methyl -151:sc= -0.45 (180deg=-1.84!) USER MOD Single : A 71 MET CE :methyl -135:sc= -0.273 (180deg=-2.18!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 74:sc= 0.748 USER MOD Single : A 81 ASN : amide:sc= -2.51! C(o=-2.5!,f=-6.5!) USER MOD Single : A 84 SER OG : rot -90:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.609 -1.757 -3.426 1.00 0.00 N ATOM 108 CA GLU A 9 13.292 -0.886 -4.552 1.00 0.00 C ATOM 109 C GLU A 9 11.784 -0.759 -4.717 1.00 0.00 C ATOM 110 O GLU A 9 11.275 0.321 -5.008 1.00 0.00 O ATOM 111 CB GLU A 9 13.906 -1.452 -5.838 1.00 0.00 C ATOM 112 CG GLU A 9 15.419 -1.220 -5.832 1.00 0.00 C ATOM 113 CD GLU A 9 16.071 -2.075 -4.751 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.277 -3.252 -4.995 1.00 0.00 O ATOM 115 OE2 GLU A 9 16.352 -1.539 -3.690 1.00 0.00 O ATOM 0 HA GLU A 9 13.709 0.102 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.692 -2.518 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.458 -0.972 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.838 -1.469 -6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.633 -0.166 -5.653 1.00 0.00 H new ATOM 122 N GLU A 10 11.075 -1.866 -4.532 1.00 0.00 N ATOM 123 CA GLU A 10 9.623 -1.859 -4.668 1.00 0.00 C ATOM 124 C GLU A 10 9.001 -0.881 -3.677 1.00 0.00 C ATOM 125 O GLU A 10 8.217 -0.011 -4.058 1.00 0.00 O ATOM 126 CB GLU A 10 9.069 -3.263 -4.411 1.00 0.00 C ATOM 127 CG GLU A 10 7.551 -3.263 -4.610 1.00 0.00 C ATOM 128 CD GLU A 10 6.998 -4.672 -4.419 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.786 -5.603 -4.461 1.00 0.00 O ATOM 130 OE2 GLU A 10 5.797 -4.801 -4.233 1.00 0.00 O ATOM 0 H GLU A 10 11.476 -2.772 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 10 9.372 -1.547 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.534 -3.978 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.313 -3.581 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.083 -2.581 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.307 -2.900 -5.609 1.00 0.00 H new ATOM 137 N LEU A 11 9.355 -1.026 -2.406 1.00 0.00 N ATOM 138 CA LEU A 11 8.808 -0.154 -1.374 1.00 0.00 C ATOM 139 C LEU A 11 9.059 1.303 -1.728 1.00 0.00 C ATOM 140 O LEU A 11 8.163 2.137 -1.604 1.00 0.00 O ATOM 141 CB LEU A 11 9.486 -0.464 -0.032 1.00 0.00 C ATOM 142 CG LEU A 11 9.041 -1.844 0.462 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.943 -2.290 1.617 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.578 -1.788 0.942 1.00 0.00 C ATOM 0 H LEU A 11 10.011 -1.730 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 11 7.734 -0.327 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.570 -0.440 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.226 0.298 0.703 1.00 0.00 H new ATOM 0 HG LEU A 11 9.119 -2.557 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.626 -3.272 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.976 -2.344 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.870 -1.572 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.272 -2.774 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.490 -1.071 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.936 -1.480 0.117 1.00 0.00 H new ATOM 156 N LYS A 12 10.272 1.604 -2.170 1.00 0.00 N ATOM 157 CA LYS A 12 10.608 2.976 -2.536 1.00 0.00 C ATOM 158 C LYS A 12 9.915 3.394 -3.826 1.00 0.00 C ATOM 159 O LYS A 12 9.210 4.404 -3.865 1.00 0.00 O ATOM 160 CB LYS A 12 12.127 3.096 -2.708 1.00 0.00 C ATOM 161 CG LYS A 12 12.820 2.972 -1.342 1.00 0.00 C ATOM 162 CD LYS A 12 12.861 4.340 -0.655 1.00 0.00 C ATOM 163 CE LYS A 12 13.562 4.212 0.693 1.00 0.00 C ATOM 164 NZ LYS A 12 13.595 5.544 1.361 1.00 0.00 N ATOM 0 H LYS A 12 11.030 0.931 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 12 10.265 3.636 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.488 2.318 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.375 4.054 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.286 2.257 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.832 2.589 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.387 5.059 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.849 4.719 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.039 3.491 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.576 3.837 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.073 5.459 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.112 6.220 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.623 5.884 1.506 1.00 0.00 H new ATOM 178 N GLU A 13 10.119 2.616 -4.879 1.00 0.00 N ATOM 179 CA GLU A 13 9.512 2.921 -6.168 1.00 0.00 C ATOM 180 C GLU A 13 7.998 3.029 -6.034 1.00 0.00 C ATOM 181 O GLU A 13 7.397 4.026 -6.444 1.00 0.00 O ATOM 182 CB GLU A 13 9.862 1.822 -7.176 1.00 0.00 C ATOM 183 CG GLU A 13 11.347 1.896 -7.536 1.00 0.00 C ATOM 184 CD GLU A 13 11.627 3.167 -8.333 1.00 0.00 C ATOM 185 OE1 GLU A 13 10.935 3.391 -9.313 1.00 0.00 O ATOM 186 OE2 GLU A 13 12.527 3.897 -7.952 1.00 0.00 O ATOM 0 H GLU A 13 10.696 1.775 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 13 9.901 3.877 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.630 0.844 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.255 1.935 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.951 1.885 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.633 1.021 -8.119 1.00 0.00 H new ATOM 193 N ALA A 14 7.387 2.004 -5.452 1.00 0.00 N ATOM 194 CA ALA A 14 5.942 1.999 -5.269 1.00 0.00 C ATOM 195 C ALA A 14 5.503 3.215 -4.461 1.00 0.00 C ATOM 196 O ALA A 14 4.559 3.914 -4.833 1.00 0.00 O ATOM 197 CB ALA A 14 5.512 0.722 -4.543 1.00 0.00 C ATOM 0 H ALA A 14 7.865 1.173 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 14 5.469 2.036 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.430 0.726 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.802 -0.147 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.997 0.677 -3.568 1.00 0.00 H new ATOM 203 N PHE A 15 6.192 3.465 -3.351 1.00 0.00 N ATOM 204 CA PHE A 15 5.849 4.597 -2.497 1.00 0.00 C ATOM 205 C PHE A 15 5.774 5.879 -3.320 1.00 0.00 C ATOM 206 O PHE A 15 4.828 6.656 -3.186 1.00 0.00 O ATOM 207 CB PHE A 15 6.908 4.757 -1.404 1.00 0.00 C ATOM 208 CG PHE A 15 6.610 5.991 -0.585 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.454 6.040 0.205 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.485 7.086 -0.615 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.174 7.182 0.965 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.204 8.226 0.145 1.00 0.00 C ATOM 213 CZ PHE A 15 6.050 8.275 0.934 1.00 0.00 C ATOM 0 H PHE A 15 6.981 2.907 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 15 4.876 4.410 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.918 3.876 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.898 4.836 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.779 5.197 0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.376 7.049 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.283 7.220 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.879 9.069 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.834 9.156 1.520 1.00 0.00 H new ATOM 223 N LYS A 16 6.770 6.093 -4.168 1.00 0.00 N ATOM 224 CA LYS A 16 6.802 7.285 -5.010 1.00 0.00 C ATOM 225 C LYS A 16 5.628 7.288 -5.984 1.00 0.00 C ATOM 226 O LYS A 16 5.075 8.342 -6.305 1.00 0.00 O ATOM 227 CB LYS A 16 8.115 7.340 -5.791 1.00 0.00 C ATOM 228 CG LYS A 16 8.192 8.652 -6.571 1.00 0.00 C ATOM 229 CD LYS A 16 9.543 8.744 -7.284 1.00 0.00 C ATOM 230 CE LYS A 16 9.630 10.071 -8.042 1.00 0.00 C ATOM 231 NZ LYS A 16 8.514 10.152 -9.026 1.00 0.00 N ATOM 0 H LYS A 16 7.562 5.463 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 16 6.726 8.161 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.960 7.261 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.179 6.494 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.381 8.703 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.068 9.497 -5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.354 8.673 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.659 7.909 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.575 10.906 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.589 10.147 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.753 10.842 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.364 9.218 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.644 10.452 -8.541 1.00 0.00 H new ATOM 245 N VAL A 17 5.252 6.101 -6.450 1.00 0.00 N ATOM 246 CA VAL A 17 4.136 5.975 -7.382 1.00 0.00 C ATOM 247 C VAL A 17 2.815 6.315 -6.696 1.00 0.00 C ATOM 248 O VAL A 17 1.961 6.994 -7.265 1.00 0.00 O ATOM 249 CB VAL A 17 4.084 4.556 -7.950 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.807 4.379 -8.778 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.306 4.323 -8.845 1.00 0.00 C ATOM 0 H VAL A 17 5.699 5.219 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 17 4.289 6.680 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 17 4.086 3.837 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.772 3.367 -9.182 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.936 4.547 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.803 5.097 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.272 3.312 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.301 5.043 -9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.216 4.447 -8.258 1.00 0.00 H new ATOM 261 N PHE A 18 2.650 5.822 -5.473 1.00 0.00 N ATOM 262 CA PHE A 18 1.428 6.075 -4.718 1.00 0.00 C ATOM 263 C PHE A 18 1.326 7.548 -4.338 1.00 0.00 C ATOM 264 O PHE A 18 0.256 8.147 -4.429 1.00 0.00 O ATOM 265 CB PHE A 18 1.405 5.200 -3.451 1.00 0.00 C ATOM 266 CG PHE A 18 0.703 3.896 -3.739 1.00 0.00 C ATOM 267 CD1 PHE A 18 1.422 2.807 -4.239 1.00 0.00 C ATOM 268 CD2 PHE A 18 -0.673 3.787 -3.511 1.00 0.00 C ATOM 269 CE1 PHE A 18 0.763 1.603 -4.508 1.00 0.00 C ATOM 270 CE2 PHE A 18 -1.328 2.588 -3.780 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.613 1.494 -4.278 1.00 0.00 C ATOM 0 H PHE A 18 3.340 5.250 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 18 0.573 5.821 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.423 5.008 -3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.895 5.727 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.484 2.895 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.226 4.631 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.315 0.758 -4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.390 2.503 -3.604 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.123 0.565 -4.485 1.00 0.00 H new ATOM 281 N ASP A 19 2.445 8.119 -3.906 1.00 0.00 N ATOM 282 CA ASP A 19 2.465 9.520 -3.505 1.00 0.00 C ATOM 283 C ASP A 19 2.553 10.424 -4.730 1.00 0.00 C ATOM 284 O ASP A 19 3.533 11.142 -4.913 1.00 0.00 O ATOM 285 CB ASP A 19 3.662 9.782 -2.589 1.00 0.00 C ATOM 286 CG ASP A 19 3.582 11.195 -2.021 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.698 11.928 -2.431 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.404 11.521 -1.179 1.00 0.00 O ATOM 0 H ASP A 19 3.341 7.639 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 19 1.542 9.740 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.676 9.055 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.591 9.656 -3.145 1.00 0.00 H new ATOM 293 N LYS A 20 1.522 10.380 -5.564 1.00 0.00 N ATOM 294 CA LYS A 20 1.495 11.195 -6.774 1.00 0.00 C ATOM 295 C LYS A 20 1.739 12.659 -6.424 1.00 0.00 C ATOM 296 O LYS A 20 2.487 13.356 -7.109 1.00 0.00 O ATOM 297 CB LYS A 20 0.137 11.035 -7.472 1.00 0.00 C ATOM 298 CG LYS A 20 -0.944 11.792 -6.690 1.00 0.00 C ATOM 299 CD LYS A 20 -2.320 11.438 -7.241 1.00 0.00 C ATOM 300 CE LYS A 20 -3.375 12.316 -6.566 1.00 0.00 C ATOM 301 NZ LYS A 20 -4.729 11.909 -7.035 1.00 0.00 N ATOM 0 H LYS A 20 0.699 9.794 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 20 2.284 10.863 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.195 11.416 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.124 9.979 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.888 11.535 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.776 12.866 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.342 11.588 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.537 10.385 -7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.308 12.217 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.196 13.365 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.448 12.505 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.788 12.025 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.897 10.913 -6.789 1.00 0.00 H new ATOM 315 N ASP A 21 1.091 13.120 -5.358 1.00 0.00 N ATOM 316 CA ASP A 21 1.230 14.507 -4.935 1.00 0.00 C ATOM 317 C ASP A 21 2.676 14.784 -4.538 1.00 0.00 C ATOM 318 O ASP A 21 3.113 15.934 -4.506 1.00 0.00 O ATOM 319 CB ASP A 21 0.315 14.781 -3.737 1.00 0.00 C ATOM 320 CG ASP A 21 -1.065 14.185 -3.987 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.719 14.619 -4.924 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.444 13.298 -3.237 1.00 0.00 O ATOM 0 H ASP A 21 0.470 12.558 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 21 0.949 15.158 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.747 14.351 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.232 15.855 -3.571 1.00 0.00 H new ATOM 327 N GLN A 22 3.412 13.719 -4.237 1.00 0.00 N ATOM 328 CA GLN A 22 4.811 13.854 -3.844 1.00 0.00 C ATOM 329 C GLN A 22 4.927 14.716 -2.589 1.00 0.00 C ATOM 330 O GLN A 22 5.767 15.612 -2.512 1.00 0.00 O ATOM 331 CB GLN A 22 5.617 14.494 -4.980 1.00 0.00 C ATOM 332 CG GLN A 22 7.110 14.235 -4.762 1.00 0.00 C ATOM 333 CD GLN A 22 7.918 14.859 -5.892 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.877 16.073 -6.089 1.00 0.00 O ATOM 335 NE2 GLN A 22 8.657 14.097 -6.650 1.00 0.00 N ATOM 0 H GLN A 22 3.067 12.759 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 22 5.209 12.861 -3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.303 14.082 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.425 15.566 -5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.424 14.653 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.299 13.162 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.689 13.091 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.203 14.507 -7.408 1.00 0.00 H new ATOM 344 N ASN A 23 4.075 14.444 -1.607 1.00 0.00 N ATOM 345 CA ASN A 23 4.093 15.202 -0.357 1.00 0.00 C ATOM 346 C ASN A 23 4.787 14.409 0.739 1.00 0.00 C ATOM 347 O ASN A 23 5.485 14.979 1.576 1.00 0.00 O ATOM 348 CB ASN A 23 2.662 15.525 0.071 1.00 0.00 C ATOM 349 CG ASN A 23 1.815 14.257 0.069 1.00 0.00 C ATOM 350 OD1 ASN A 23 2.225 13.232 -0.478 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.646 14.264 0.649 1.00 0.00 N ATOM 0 H ASN A 23 3.367 13.710 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 23 4.643 16.129 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.663 15.969 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.229 16.262 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.072 13.421 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.306 15.113 1.102 1.00 0.00 H new ATOM 358 N GLY A 24 4.596 13.091 0.729 1.00 0.00 N ATOM 359 CA GLY A 24 5.215 12.220 1.732 1.00 0.00 C ATOM 360 C GLY A 24 4.155 11.450 2.509 1.00 0.00 C ATOM 361 O GLY A 24 4.413 10.969 3.612 1.00 0.00 O ATOM 0 H GLY A 24 4.021 12.603 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.894 11.521 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.814 12.818 2.419 1.00 0.00 H new ATOM 365 N TYR A 25 2.966 11.335 1.930 1.00 0.00 N ATOM 366 CA TYR A 25 1.877 10.616 2.583 1.00 0.00 C ATOM 367 C TYR A 25 0.879 10.113 1.553 1.00 0.00 C ATOM 368 O TYR A 25 0.753 10.685 0.468 1.00 0.00 O ATOM 369 CB TYR A 25 1.166 11.535 3.578 1.00 0.00 C ATOM 370 CG TYR A 25 2.174 12.090 4.554 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.529 11.352 5.690 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.752 13.344 4.325 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.464 11.868 6.595 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.686 13.860 5.230 1.00 0.00 C ATOM 375 CZ TYR A 25 4.042 13.123 6.365 1.00 0.00 C ATOM 376 OH TYR A 25 4.963 13.631 7.258 1.00 0.00 O ATOM 0 H TYR A 25 2.732 11.726 1.018 1.00 0.00 H new ATOM 0 HA TYR A 25 2.297 9.762 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.670 12.348 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.392 10.983 4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.082 10.385 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.477 13.913 3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.740 11.299 7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.132 14.827 5.053 1.00 0.00 H new ATOM 0 HH TYR A 25 5.267 14.510 6.950 1.00 0.00 H new ATOM 386 N ILE A 26 0.166 9.039 1.896 1.00 0.00 N ATOM 387 CA ILE A 26 -0.829 8.462 0.987 1.00 0.00 C ATOM 388 C ILE A 26 -2.228 8.651 1.553 1.00 0.00 C ATOM 389 O ILE A 26 -2.419 8.656 2.767 1.00 0.00 O ATOM 390 CB ILE A 26 -0.554 6.977 0.784 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.832 6.799 0.160 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.615 6.386 -0.150 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.201 5.312 0.155 1.00 0.00 C ATOM 0 H ILE A 26 0.257 8.554 2.789 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.761 8.973 0.026 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.590 6.464 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.838 7.190 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.572 7.367 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.420 5.324 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.603 6.516 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.579 6.897 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.188 5.184 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.212 4.936 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.466 4.757 -0.428 1.00 0.00 H new ATOM 405 N SER A 27 -3.204 8.809 0.663 1.00 0.00 N ATOM 406 CA SER A 27 -4.596 9.002 1.078 1.00 0.00 C ATOM 407 C SER A 27 -5.503 7.989 0.390 1.00 0.00 C ATOM 408 O SER A 27 -5.031 7.097 -0.316 1.00 0.00 O ATOM 409 CB SER A 27 -5.054 10.418 0.727 1.00 0.00 C ATOM 410 OG SER A 27 -4.916 10.624 -0.671 1.00 0.00 O ATOM 0 H SER A 27 -3.061 8.808 -0.347 1.00 0.00 H new ATOM 0 HA SER A 27 -4.658 8.857 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.092 10.561 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.461 11.150 1.274 1.00 0.00 H new ATOM 0 HG SER A 27 -3.972 10.773 -0.888 1.00 0.00 H new ATOM 416 N ALA A 28 -6.805 8.127 0.610 1.00 0.00 N ATOM 417 CA ALA A 28 -7.770 7.217 0.010 1.00 0.00 C ATOM 418 C ALA A 28 -7.890 7.465 -1.491 1.00 0.00 C ATOM 419 O ALA A 28 -7.960 6.524 -2.283 1.00 0.00 O ATOM 420 CB ALA A 28 -9.140 7.399 0.668 1.00 0.00 C ATOM 0 H ALA A 28 -7.214 8.855 1.195 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.420 6.197 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.856 6.714 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.062 7.187 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.479 8.425 0.526 1.00 0.00 H new ATOM 426 N SER A 29 -7.916 8.737 -1.872 1.00 0.00 N ATOM 427 CA SER A 29 -8.037 9.098 -3.279 1.00 0.00 C ATOM 428 C SER A 29 -6.855 8.555 -4.074 1.00 0.00 C ATOM 429 O SER A 29 -7.009 8.120 -5.218 1.00 0.00 O ATOM 430 CB SER A 29 -8.092 10.621 -3.425 1.00 0.00 C ATOM 431 OG SER A 29 -6.907 11.188 -2.880 1.00 0.00 O ATOM 0 H SER A 29 -7.855 9.529 -1.232 1.00 0.00 H new ATOM 0 HA SER A 29 -8.956 8.661 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.190 10.894 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.968 11.016 -2.910 1.00 0.00 H new ATOM 0 HG SER A 29 -6.938 12.163 -2.973 1.00 0.00 H new ATOM 437 N GLU A 30 -5.674 8.582 -3.462 1.00 0.00 N ATOM 438 CA GLU A 30 -4.474 8.091 -4.126 1.00 0.00 C ATOM 439 C GLU A 30 -4.560 6.584 -4.342 1.00 0.00 C ATOM 440 O GLU A 30 -4.227 6.081 -5.411 1.00 0.00 O ATOM 441 CB GLU A 30 -3.242 8.417 -3.279 1.00 0.00 C ATOM 442 CG GLU A 30 -3.037 9.932 -3.241 1.00 0.00 C ATOM 443 CD GLU A 30 -1.871 10.278 -2.321 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.766 9.851 -2.610 1.00 0.00 O ATOM 445 OE2 GLU A 30 -2.096 10.972 -1.345 1.00 0.00 O ATOM 0 H GLU A 30 -5.524 8.935 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.390 8.581 -5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.370 8.031 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.361 7.930 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.841 10.306 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.945 10.421 -2.890 1.00 0.00 H new ATOM 452 N LEU A 31 -5.019 5.868 -3.324 1.00 0.00 N ATOM 453 CA LEU A 31 -5.146 4.417 -3.426 1.00 0.00 C ATOM 454 C LEU A 31 -6.133 4.032 -4.514 1.00 0.00 C ATOM 455 O LEU A 31 -5.877 3.120 -5.300 1.00 0.00 O ATOM 456 CB LEU A 31 -5.614 3.851 -2.074 1.00 0.00 C ATOM 457 CG LEU A 31 -4.391 3.547 -1.181 1.00 0.00 C ATOM 458 CD1 LEU A 31 -4.765 3.728 0.288 1.00 0.00 C ATOM 459 CD2 LEU A 31 -3.928 2.094 -1.421 1.00 0.00 C ATOM 0 H LEU A 31 -5.307 6.261 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.173 3.999 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.269 4.567 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.195 2.942 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.582 4.234 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.899 3.512 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.088 4.755 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.576 3.046 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.065 1.878 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.738 1.408 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.653 1.968 -2.468 1.00 0.00 H new ATOM 471 N ARG A 32 -7.257 4.727 -4.552 1.00 0.00 N ATOM 472 CA ARG A 32 -8.274 4.446 -5.548 1.00 0.00 C ATOM 473 C ARG A 32 -7.736 4.717 -6.949 1.00 0.00 C ATOM 474 O ARG A 32 -8.004 3.959 -7.879 1.00 0.00 O ATOM 475 CB ARG A 32 -9.505 5.325 -5.304 1.00 0.00 C ATOM 476 CG ARG A 32 -10.594 4.973 -6.318 1.00 0.00 C ATOM 477 CD ARG A 32 -11.778 5.926 -6.149 1.00 0.00 C ATOM 478 NE ARG A 32 -12.915 5.474 -6.942 1.00 0.00 N ATOM 479 CZ ARG A 32 -12.940 5.624 -8.261 1.00 0.00 C ATOM 480 NH1 ARG A 32 -11.934 6.188 -8.872 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.970 5.208 -8.945 1.00 0.00 N ATOM 0 H ARG A 32 -7.487 5.485 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.552 3.395 -5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.876 5.176 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.237 6.378 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.199 5.044 -7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.920 3.943 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.060 5.982 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.490 6.931 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.707 5.034 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.129 6.513 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.953 6.304 -9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.756 4.768 -8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.990 5.323 -9.958 1.00 0.00 H new ATOM 495 N HIS A 33 -6.989 5.809 -7.103 1.00 0.00 N ATOM 496 CA HIS A 33 -6.448 6.166 -8.399 1.00 0.00 C ATOM 497 C HIS A 33 -5.493 5.089 -8.892 1.00 0.00 C ATOM 498 O HIS A 33 -5.469 4.755 -10.078 1.00 0.00 O ATOM 499 CB HIS A 33 -5.734 7.537 -8.296 1.00 0.00 C ATOM 500 CG HIS A 33 -4.266 7.393 -8.603 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.292 7.523 -7.634 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.610 7.073 -9.760 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.111 7.285 -8.220 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.244 7.006 -9.519 1.00 0.00 N ATOM 0 H HIS A 33 -6.750 6.453 -6.349 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.260 6.245 -9.122 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.189 8.243 -8.990 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.863 7.946 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.083 6.899 -10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.163 7.315 -7.703 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.504 6.791 -10.188 1.00 0.00 H new ATOM 512 N VAL A 34 -4.680 4.582 -7.980 1.00 0.00 N ATOM 513 CA VAL A 34 -3.696 3.566 -8.335 1.00 0.00 C ATOM 514 C VAL A 34 -4.394 2.271 -8.720 1.00 0.00 C ATOM 515 O VAL A 34 -4.015 1.607 -9.688 1.00 0.00 O ATOM 516 CB VAL A 34 -2.744 3.313 -7.157 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.885 2.076 -7.442 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.828 4.524 -6.960 1.00 0.00 C ATOM 0 H VAL A 34 -4.679 4.852 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.118 3.925 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.334 3.150 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.211 1.900 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.530 1.208 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.302 2.239 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.155 4.339 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.244 4.690 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.432 5.407 -6.751 1.00 0.00 H new ATOM 528 N MET A 35 -5.411 1.909 -7.949 1.00 0.00 N ATOM 529 CA MET A 35 -6.147 0.682 -8.205 1.00 0.00 C ATOM 530 C MET A 35 -6.866 0.752 -9.544 1.00 0.00 C ATOM 531 O MET A 35 -6.919 -0.232 -10.284 1.00 0.00 O ATOM 532 CB MET A 35 -7.164 0.442 -7.081 1.00 0.00 C ATOM 533 CG MET A 35 -6.439 -0.047 -5.824 1.00 0.00 C ATOM 534 SD MET A 35 -5.822 -1.727 -6.092 1.00 0.00 S ATOM 535 CE MET A 35 -5.224 -2.022 -4.410 1.00 0.00 C ATOM 0 H MET A 35 -5.742 2.445 -7.147 1.00 0.00 H new ATOM 0 HA MET A 35 -5.438 -0.145 -8.237 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.706 1.363 -6.865 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.902 -0.295 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.611 0.621 -5.586 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.117 -0.030 -4.971 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.794 -3.022 -4.347 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.463 -1.283 -4.160 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.054 -1.939 -3.709 1.00 0.00 H new ATOM 545 N ILE A 36 -7.417 1.918 -9.853 1.00 0.00 N ATOM 546 CA ILE A 36 -8.128 2.098 -11.110 1.00 0.00 C ATOM 547 C ILE A 36 -7.160 2.045 -12.286 1.00 0.00 C ATOM 548 O ILE A 36 -7.432 1.397 -13.297 1.00 0.00 O ATOM 549 CB ILE A 36 -8.871 3.437 -11.098 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.983 3.401 -10.035 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.495 3.697 -12.479 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.232 2.697 -10.588 1.00 0.00 C ATOM 0 H ILE A 36 -7.386 2.745 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.850 1.289 -11.223 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.167 4.235 -10.862 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.628 2.880 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.236 4.416 -9.730 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.023 4.651 -12.466 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.709 3.727 -13.234 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.196 2.897 -12.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.009 2.680 -9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.596 3.236 -11.463 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.979 1.675 -10.870 1.00 0.00 H new ATOM 564 N ASN A 37 -6.038 2.734 -12.143 1.00 0.00 N ATOM 565 CA ASN A 37 -5.031 2.763 -13.198 1.00 0.00 C ATOM 566 C ASN A 37 -4.481 1.358 -13.424 1.00 0.00 C ATOM 567 O ASN A 37 -4.007 1.034 -14.513 1.00 0.00 O ATOM 568 CB ASN A 37 -3.892 3.712 -12.811 1.00 0.00 C ATOM 569 CG ASN A 37 -4.297 5.156 -13.090 1.00 0.00 C ATOM 570 OD1 ASN A 37 -5.428 5.606 -12.623 1.00 0.00 O flip ATOM 571 ND2 ASN A 37 -3.568 5.888 -13.760 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.801 3.278 -11.313 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.491 3.121 -14.119 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.650 3.591 -11.755 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.993 3.463 -13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.684 5.532 -14.124 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.848 6.850 -13.951 1.00 0.00 H new ATOM 578 N LEU A 38 -4.549 0.531 -12.386 1.00 0.00 N ATOM 579 CA LEU A 38 -4.060 -0.842 -12.484 1.00 0.00 C ATOM 580 C LEU A 38 -5.109 -1.741 -13.125 1.00 0.00 C ATOM 581 O LEU A 38 -4.920 -2.954 -13.225 1.00 0.00 O ATOM 582 CB LEU A 38 -3.713 -1.371 -11.090 1.00 0.00 C ATOM 583 CG LEU A 38 -2.394 -0.741 -10.616 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.237 -0.961 -9.108 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.202 -1.382 -11.357 1.00 0.00 C ATOM 0 H LEU A 38 -4.934 0.783 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.167 -0.847 -13.108 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.514 -1.134 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.622 -2.457 -11.114 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.412 0.327 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.302 -0.515 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.071 -0.495 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.226 -2.030 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.273 -0.928 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.180 -2.452 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.310 -1.219 -12.429 1.00 0.00 H new ATOM 597 N GLY A 39 -6.212 -1.140 -13.556 1.00 0.00 N ATOM 598 CA GLY A 39 -7.282 -1.897 -14.187 1.00 0.00 C ATOM 599 C GLY A 39 -8.124 -2.619 -13.147 1.00 0.00 C ATOM 600 O GLY A 39 -8.745 -3.640 -13.441 1.00 0.00 O ATOM 0 H GLY A 39 -6.387 -0.138 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.913 -1.226 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.859 -2.621 -14.884 1.00 0.00 H new ATOM 604 N GLU A 40 -8.140 -2.088 -11.925 1.00 0.00 N ATOM 605 CA GLU A 40 -8.912 -2.692 -10.839 1.00 0.00 C ATOM 606 C GLU A 40 -9.941 -1.709 -10.312 1.00 0.00 C ATOM 607 O GLU A 40 -9.644 -0.539 -10.098 1.00 0.00 O ATOM 608 CB GLU A 40 -7.971 -3.108 -9.710 1.00 0.00 C ATOM 609 CG GLU A 40 -8.734 -3.971 -8.710 1.00 0.00 C ATOM 610 CD GLU A 40 -7.793 -4.456 -7.612 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.692 -3.940 -7.533 1.00 0.00 O ATOM 612 OE2 GLU A 40 -8.189 -5.338 -6.866 1.00 0.00 O ATOM 0 H GLU A 40 -7.630 -1.245 -11.663 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.431 -3.570 -11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.123 -3.662 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.568 -2.225 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.551 -3.398 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.180 -4.824 -9.220 1.00 0.00 H new ATOM 619 N LYS A 41 -11.159 -2.192 -10.102 1.00 0.00 N ATOM 620 CA LYS A 41 -12.241 -1.344 -9.597 1.00 0.00 C ATOM 621 C LYS A 41 -12.643 -1.763 -8.192 1.00 0.00 C ATOM 622 O LYS A 41 -13.365 -2.742 -8.007 1.00 0.00 O ATOM 623 CB LYS A 41 -13.451 -1.452 -10.520 1.00 0.00 C ATOM 624 CG LYS A 41 -14.500 -0.417 -10.108 1.00 0.00 C ATOM 625 CD LYS A 41 -15.639 -0.396 -11.134 1.00 0.00 C ATOM 626 CE LYS A 41 -16.479 -1.670 -11.004 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.723 -1.528 -11.804 1.00 0.00 N ATOM 0 H LYS A 41 -11.426 -3.162 -10.271 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.886 -0.314 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.149 -1.288 -11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.874 -2.455 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.893 -0.657 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.043 0.570 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.266 0.482 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.231 -0.320 -12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.908 -2.532 -11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.726 -1.850 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.293 -2.393 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.270 -0.716 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.478 -1.376 -12.803 1.00 0.00 H new ATOM 641 N LEU A 42 -12.167 -1.014 -7.199 1.00 0.00 N ATOM 642 CA LEU A 42 -12.481 -1.308 -5.797 1.00 0.00 C ATOM 643 C LEU A 42 -13.370 -0.222 -5.212 1.00 0.00 C ATOM 644 O LEU A 42 -13.270 0.945 -5.588 1.00 0.00 O ATOM 645 CB LEU A 42 -11.186 -1.400 -4.989 1.00 0.00 C ATOM 646 CG LEU A 42 -10.470 -2.724 -5.313 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.962 -2.558 -5.109 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.984 -3.833 -4.388 1.00 0.00 C ATOM 0 H LEU A 42 -11.565 -0.202 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.011 -2.259 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.537 -0.556 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.406 -1.345 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.672 -2.992 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.458 -3.497 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.590 -1.775 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.763 -2.284 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.474 -4.767 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.787 -3.562 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.057 -3.959 -4.533 1.00 0.00 H new ATOM 660 N THR A 43 -14.244 -0.619 -4.293 1.00 0.00 N ATOM 661 CA THR A 43 -15.152 0.331 -3.668 1.00 0.00 C ATOM 662 C THR A 43 -14.415 1.178 -2.637 1.00 0.00 C ATOM 663 O THR A 43 -13.415 0.745 -2.064 1.00 0.00 O ATOM 664 CB THR A 43 -16.304 -0.426 -2.987 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.795 -1.602 -2.377 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.361 -0.800 -4.021 1.00 0.00 C ATOM 0 H THR A 43 -14.341 -1.581 -3.968 1.00 0.00 H new ATOM 0 HA THR A 43 -15.552 0.990 -4.439 1.00 0.00 H new ATOM 0 HB THR A 43 -16.759 0.212 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.526 -2.087 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.174 -1.336 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.751 0.105 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 43 -16.914 -1.437 -4.784 1.00 0.00 H new ATOM 674 N ASP A 44 -14.916 2.387 -2.411 1.00 0.00 N ATOM 675 CA ASP A 44 -14.294 3.291 -1.453 1.00 0.00 C ATOM 676 C ASP A 44 -14.157 2.605 -0.098 1.00 0.00 C ATOM 677 O ASP A 44 -13.246 2.913 0.674 1.00 0.00 O ATOM 678 CB ASP A 44 -15.144 4.556 -1.302 1.00 0.00 C ATOM 679 CG ASP A 44 -15.089 5.375 -2.587 1.00 0.00 C ATOM 680 OD1 ASP A 44 -14.235 5.092 -3.411 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.906 6.271 -2.731 1.00 0.00 O ATOM 0 H ASP A 44 -15.744 2.761 -2.874 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.304 3.562 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.176 4.286 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.780 5.152 -0.465 1.00 0.00 H new ATOM 686 N GLU A 45 -15.065 1.674 0.185 1.00 0.00 N ATOM 687 CA GLU A 45 -15.029 0.956 1.454 1.00 0.00 C ATOM 688 C GLU A 45 -13.724 0.174 1.581 1.00 0.00 C ATOM 689 O GLU A 45 -13.108 0.149 2.644 1.00 0.00 O ATOM 690 CB GLU A 45 -16.214 -0.010 1.537 1.00 0.00 C ATOM 691 CG GLU A 45 -17.520 0.788 1.542 1.00 0.00 C ATOM 692 CD GLU A 45 -18.710 -0.163 1.582 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.487 -1.362 1.569 1.00 0.00 O ATOM 694 OE2 GLU A 45 -19.829 0.323 1.622 1.00 0.00 O ATOM 0 H GLU A 45 -15.825 1.402 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.091 1.679 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.198 -0.697 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.141 -0.616 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.546 1.453 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.576 1.416 0.653 1.00 0.00 H new ATOM 701 N GLU A 46 -13.309 -0.462 0.493 1.00 0.00 N ATOM 702 CA GLU A 46 -12.078 -1.243 0.499 1.00 0.00 C ATOM 703 C GLU A 46 -10.879 -0.345 0.800 1.00 0.00 C ATOM 704 O GLU A 46 -9.965 -0.729 1.539 1.00 0.00 O ATOM 705 CB GLU A 46 -11.883 -1.922 -0.860 1.00 0.00 C ATOM 706 CG GLU A 46 -13.055 -2.870 -1.128 1.00 0.00 C ATOM 707 CD GLU A 46 -13.075 -3.993 -0.097 1.00 0.00 C ATOM 708 OE1 GLU A 46 -12.036 -4.249 0.489 1.00 0.00 O ATOM 709 OE2 GLU A 46 -14.132 -4.565 0.109 1.00 0.00 O ATOM 0 H GLU A 46 -13.803 -0.453 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.154 -2.004 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.820 -1.172 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.944 -2.475 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.994 -2.317 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.970 -3.289 -2.131 1.00 0.00 H new ATOM 716 N VAL A 47 -10.891 0.856 0.229 1.00 0.00 N ATOM 717 CA VAL A 47 -9.801 1.799 0.446 1.00 0.00 C ATOM 718 C VAL A 47 -9.728 2.207 1.917 1.00 0.00 C ATOM 719 O VAL A 47 -8.657 2.181 2.529 1.00 0.00 O ATOM 720 CB VAL A 47 -10.008 3.039 -0.425 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.977 4.105 -0.056 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.838 2.663 -1.898 1.00 0.00 C ATOM 0 H VAL A 47 -11.635 1.196 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.863 1.316 0.172 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.012 3.430 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.127 4.987 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.094 4.377 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.973 3.712 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.986 3.547 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.834 2.270 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.573 1.904 -2.167 1.00 0.00 H new ATOM 732 N GLU A 48 -10.874 2.585 2.477 1.00 0.00 N ATOM 733 CA GLU A 48 -10.928 3.001 3.873 1.00 0.00 C ATOM 734 C GLU A 48 -10.436 1.874 4.776 1.00 0.00 C ATOM 735 O GLU A 48 -9.671 2.106 5.711 1.00 0.00 O ATOM 736 CB GLU A 48 -12.360 3.374 4.252 1.00 0.00 C ATOM 737 CG GLU A 48 -12.771 4.644 3.504 1.00 0.00 C ATOM 738 CD GLU A 48 -14.227 4.981 3.812 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.835 4.250 4.577 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.712 5.964 3.276 1.00 0.00 O ATOM 0 H GLU A 48 -11.770 2.612 1.990 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.284 3.870 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.038 2.557 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.433 3.533 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.127 5.473 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.641 4.503 2.431 1.00 0.00 H new ATOM 747 N GLN A 49 -10.878 0.654 4.485 1.00 0.00 N ATOM 748 CA GLN A 49 -10.469 -0.500 5.273 1.00 0.00 C ATOM 749 C GLN A 49 -8.950 -0.653 5.250 1.00 0.00 C ATOM 750 O GLN A 49 -8.329 -1.008 6.249 1.00 0.00 O ATOM 751 CB GLN A 49 -11.124 -1.771 4.725 1.00 0.00 C ATOM 752 CG GLN A 49 -12.610 -1.786 5.088 1.00 0.00 C ATOM 753 CD GLN A 49 -13.281 -3.019 4.494 1.00 0.00 C ATOM 754 OE1 GLN A 49 -13.041 -3.361 3.336 1.00 0.00 O ATOM 755 NE2 GLN A 49 -14.113 -3.711 5.224 1.00 0.00 N ATOM 0 H GLN A 49 -11.514 0.442 3.716 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.791 -0.345 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.004 -1.815 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.631 -2.652 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.728 -1.785 6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.093 -0.883 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.310 -3.425 6.183 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.566 -4.538 4.835 1.00 0.00 H new ATOM 764 N MET A 50 -8.356 -0.385 4.103 1.00 0.00 N ATOM 765 CA MET A 50 -6.906 -0.492 3.977 1.00 0.00 C ATOM 766 C MET A 50 -6.206 0.570 4.820 1.00 0.00 C ATOM 767 O MET A 50 -5.205 0.294 5.484 1.00 0.00 O ATOM 768 CB MET A 50 -6.499 -0.323 2.512 1.00 0.00 C ATOM 769 CG MET A 50 -6.850 -1.590 1.737 1.00 0.00 C ATOM 770 SD MET A 50 -6.441 -1.366 -0.012 1.00 0.00 S ATOM 771 CE MET A 50 -4.641 -1.462 0.150 1.00 0.00 C ATOM 0 H MET A 50 -8.842 -0.095 3.254 1.00 0.00 H new ATOM 0 HA MET A 50 -6.605 -1.477 4.334 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.012 0.535 2.078 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.429 -0.125 2.441 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.302 -2.440 2.143 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.911 -1.813 1.847 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.189 -1.524 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.274 -0.572 0.661 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.374 -2.348 0.727 1.00 0.00 H new ATOM 781 N ILE A 51 -6.742 1.787 4.787 1.00 0.00 N ATOM 782 CA ILE A 51 -6.155 2.880 5.549 1.00 0.00 C ATOM 783 C ILE A 51 -6.308 2.657 7.045 1.00 0.00 C ATOM 784 O ILE A 51 -5.343 2.750 7.793 1.00 0.00 O ATOM 785 CB ILE A 51 -6.828 4.202 5.165 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.481 4.552 3.717 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.337 5.323 6.087 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.375 5.696 3.235 1.00 0.00 C ATOM 0 H ILE A 51 -7.571 2.037 4.248 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.092 2.919 5.312 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.908 4.095 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.433 4.841 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.616 3.679 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.819 6.260 5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.586 5.080 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.256 5.428 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.125 5.943 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.420 5.390 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.218 6.571 3.866 1.00 0.00 H new ATOM 800 N LYS A 52 -7.531 2.380 7.477 1.00 0.00 N ATOM 801 CA LYS A 52 -7.794 2.176 8.898 1.00 0.00 C ATOM 802 C LYS A 52 -6.886 1.085 9.458 1.00 0.00 C ATOM 803 O LYS A 52 -6.332 1.218 10.549 1.00 0.00 O ATOM 804 CB LYS A 52 -9.278 1.809 9.106 1.00 0.00 C ATOM 805 CG LYS A 52 -9.468 0.291 9.025 1.00 0.00 C ATOM 806 CD LYS A 52 -10.937 -0.062 9.123 1.00 0.00 C ATOM 807 CE LYS A 52 -11.096 -1.578 8.975 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.541 -1.926 9.044 1.00 0.00 N ATOM 0 H LYS A 52 -8.349 2.292 6.874 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.582 3.101 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.617 2.173 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.890 2.300 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.059 -0.084 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.916 -0.195 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.340 0.267 10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.501 0.453 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.675 -1.909 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.547 -2.092 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.658 -2.951 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.920 -1.653 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.056 -1.418 8.297 1.00 0.00 H new ATOM 822 N GLU A 53 -6.773 -0.008 8.705 1.00 0.00 N ATOM 823 CA GLU A 53 -5.953 -1.130 9.141 1.00 0.00 C ATOM 824 C GLU A 53 -4.500 -0.705 9.256 1.00 0.00 C ATOM 825 O GLU A 53 -3.847 -0.964 10.266 1.00 0.00 O ATOM 826 CB GLU A 53 -6.071 -2.282 8.139 1.00 0.00 C ATOM 827 CG GLU A 53 -7.439 -2.952 8.270 1.00 0.00 C ATOM 828 CD GLU A 53 -7.526 -3.703 9.596 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.484 -4.022 10.141 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.634 -3.939 10.050 1.00 0.00 O ATOM 0 H GLU A 53 -7.233 -0.137 7.804 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.306 -1.462 10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.936 -1.907 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.281 -3.012 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.228 -2.202 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.597 -3.642 7.441 1.00 0.00 H new ATOM 837 N ALA A 54 -4.001 -0.057 8.212 1.00 0.00 N ATOM 838 CA ALA A 54 -2.614 0.395 8.205 1.00 0.00 C ATOM 839 C ALA A 54 -2.391 1.505 9.223 1.00 0.00 C ATOM 840 O ALA A 54 -1.420 1.481 9.971 1.00 0.00 O ATOM 841 CB ALA A 54 -2.233 0.900 6.812 1.00 0.00 C ATOM 0 H ALA A 54 -4.528 0.166 7.368 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.985 -0.454 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.196 1.235 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.350 0.094 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.881 1.732 6.537 1.00 0.00 H new ATOM 847 N ASP A 55 -3.293 2.476 9.238 1.00 0.00 N ATOM 848 CA ASP A 55 -3.179 3.596 10.164 1.00 0.00 C ATOM 849 C ASP A 55 -3.431 3.149 11.593 1.00 0.00 C ATOM 850 O ASP A 55 -4.447 2.520 11.891 1.00 0.00 O ATOM 851 CB ASP A 55 -4.199 4.685 9.792 1.00 0.00 C ATOM 852 CG ASP A 55 -3.703 5.485 8.595 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.576 5.270 8.193 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.454 6.313 8.108 1.00 0.00 O ATOM 0 H ASP A 55 -4.107 2.512 8.624 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.166 3.992 10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.161 4.228 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.359 5.349 10.641 1.00 0.00 H new ATOM 859 N LEU A 56 -2.500 3.480 12.483 1.00 0.00 N ATOM 860 CA LEU A 56 -2.632 3.119 13.891 1.00 0.00 C ATOM 861 C LEU A 56 -3.230 4.268 14.677 1.00 0.00 C ATOM 862 O LEU A 56 -3.594 4.103 15.840 1.00 0.00 O ATOM 863 CB LEU A 56 -1.257 2.758 14.472 1.00 0.00 C ATOM 864 CG LEU A 56 -0.890 1.322 14.068 1.00 0.00 C ATOM 865 CD1 LEU A 56 -1.832 0.316 14.768 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.014 1.176 12.544 1.00 0.00 C ATOM 0 H LEU A 56 -1.650 3.995 12.256 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.294 2.256 13.967 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.502 3.454 14.106 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.274 2.848 15.558 1.00 0.00 H new ATOM 0 HG LEU A 56 0.135 1.113 14.373 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.563 -0.699 14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.736 0.419 15.849 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.862 0.518 14.475 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.754 0.158 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.039 1.390 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.337 1.877 12.055 1.00 0.00 H new ATOM 878 N ASP A 57 -3.329 5.428 14.041 1.00 0.00 N ATOM 879 CA ASP A 57 -3.891 6.613 14.691 1.00 0.00 C ATOM 880 C ASP A 57 -5.115 7.110 13.935 1.00 0.00 C ATOM 881 O ASP A 57 -5.686 8.145 14.276 1.00 0.00 O ATOM 882 CB ASP A 57 -2.838 7.718 14.746 1.00 0.00 C ATOM 883 CG ASP A 57 -2.244 7.952 13.357 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.541 7.178 12.454 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.494 8.901 13.217 1.00 0.00 O ATOM 0 H ASP A 57 -3.029 5.577 13.078 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.192 6.344 15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.287 8.639 15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.048 7.443 15.445 1.00 0.00 H new ATOM 890 N GLY A 58 -5.517 6.365 12.909 1.00 0.00 N ATOM 891 CA GLY A 58 -6.678 6.744 12.112 1.00 0.00 C ATOM 892 C GLY A 58 -6.659 8.236 11.797 1.00 0.00 C ATOM 893 O GLY A 58 -7.635 8.945 12.043 1.00 0.00 O ATOM 0 H GLY A 58 -5.060 5.503 12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.689 6.173 11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.592 6.494 12.651 1.00 0.00 H new ATOM 897 N ASP A 59 -5.538 8.709 11.257 1.00 0.00 N ATOM 898 CA ASP A 59 -5.401 10.120 10.914 1.00 0.00 C ATOM 899 C ASP A 59 -6.006 10.402 9.546 1.00 0.00 C ATOM 900 O ASP A 59 -6.286 11.551 9.206 1.00 0.00 O ATOM 901 CB ASP A 59 -3.924 10.515 10.914 1.00 0.00 C ATOM 902 CG ASP A 59 -3.125 9.540 10.058 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.739 8.787 9.320 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.909 9.558 10.154 1.00 0.00 O ATOM 0 H ASP A 59 -4.718 8.140 11.049 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.935 10.709 11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.810 11.528 10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.539 10.516 11.934 1.00 0.00 H new ATOM 909 N GLY A 60 -6.210 9.346 8.763 1.00 0.00 N ATOM 910 CA GLY A 60 -6.786 9.491 7.427 1.00 0.00 C ATOM 911 C GLY A 60 -5.706 9.414 6.357 1.00 0.00 C ATOM 912 O GLY A 60 -6.003 9.413 5.164 1.00 0.00 O ATOM 0 H GLY A 60 -5.987 8.386 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.526 8.708 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.308 10.445 7.354 1.00 0.00 H new ATOM 916 N GLN A 61 -4.450 9.352 6.790 1.00 0.00 N ATOM 917 CA GLN A 61 -3.326 9.274 5.856 1.00 0.00 C ATOM 918 C GLN A 61 -2.334 8.208 6.307 1.00 0.00 C ATOM 919 O GLN A 61 -2.034 8.079 7.499 1.00 0.00 O ATOM 920 CB GLN A 61 -2.622 10.629 5.773 1.00 0.00 C ATOM 921 CG GLN A 61 -2.038 10.990 7.140 1.00 0.00 C ATOM 922 CD GLN A 61 -1.456 12.398 7.104 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.679 13.139 6.147 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.720 12.814 8.096 1.00 0.00 N ATOM 0 H GLN A 61 -4.184 9.354 7.775 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.710 9.005 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.829 10.593 5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.326 11.397 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.813 10.928 7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.263 10.274 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.536 12.198 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.328 13.755 8.080 1.00 0.00 H new ATOM 933 N VAL A 62 -1.825 7.441 5.346 1.00 0.00 N ATOM 934 CA VAL A 62 -0.867 6.386 5.654 1.00 0.00 C ATOM 935 C VAL A 62 0.558 6.910 5.518 1.00 0.00 C ATOM 936 O VAL A 62 0.936 7.452 4.473 1.00 0.00 O ATOM 937 CB VAL A 62 -1.067 5.202 4.703 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.416 3.948 5.291 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.561 4.958 4.494 1.00 0.00 C ATOM 0 H VAL A 62 -2.058 7.530 4.357 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.031 6.058 6.680 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.601 5.430 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.562 3.109 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.651 4.123 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.873 3.718 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.701 4.115 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.031 4.736 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.018 5.849 4.064 1.00 0.00 H new ATOM 949 N ASN A 63 1.341 6.748 6.585 1.00 0.00 N ATOM 950 CA ASN A 63 2.726 7.205 6.586 1.00 0.00 C ATOM 951 C ASN A 63 3.629 6.149 5.958 1.00 0.00 C ATOM 952 O ASN A 63 3.289 4.966 5.926 1.00 0.00 O ATOM 953 CB ASN A 63 3.186 7.486 8.016 1.00 0.00 C ATOM 954 CG ASN A 63 2.280 8.530 8.660 1.00 0.00 C ATOM 955 OD1 ASN A 63 2.019 9.577 8.068 1.00 0.00 O ATOM 956 ND2 ASN A 63 1.783 8.307 9.845 1.00 0.00 N ATOM 0 H ASN A 63 1.040 6.306 7.454 1.00 0.00 H new ATOM 0 HA ASN A 63 2.789 8.123 6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.167 6.566 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.217 7.840 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.177 9.001 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.000 7.439 10.334 1.00 0.00 H new ATOM 963 N TYR A 64 4.781 6.584 5.458 1.00 0.00 N ATOM 964 CA TYR A 64 5.721 5.666 4.830 1.00 0.00 C ATOM 965 C TYR A 64 6.007 4.485 5.751 1.00 0.00 C ATOM 966 O TYR A 64 6.041 3.338 5.307 1.00 0.00 O ATOM 967 CB TYR A 64 7.032 6.397 4.519 1.00 0.00 C ATOM 968 CG TYR A 64 8.041 5.418 3.966 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.057 5.127 2.597 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.958 4.800 4.824 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.991 4.217 2.086 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.892 3.892 4.315 1.00 0.00 C ATOM 973 CZ TYR A 64 9.909 3.600 2.945 1.00 0.00 C ATOM 974 OH TYR A 64 10.829 2.703 2.442 1.00 0.00 O ATOM 0 H TYR A 64 5.083 7.558 5.475 1.00 0.00 H new ATOM 0 HA TYR A 64 5.279 5.296 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.853 7.195 3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.422 6.865 5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.349 5.604 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.944 5.025 5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.003 3.991 1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.600 3.416 4.978 1.00 0.00 H new ATOM 0 HH TYR A 64 11.392 2.368 3.171 1.00 0.00 H new ATOM 984 N GLU A 65 6.214 4.771 7.030 1.00 0.00 N ATOM 985 CA GLU A 65 6.504 3.717 7.999 1.00 0.00 C ATOM 986 C GLU A 65 5.339 2.736 8.084 1.00 0.00 C ATOM 987 O GLU A 65 5.535 1.518 8.105 1.00 0.00 O ATOM 988 CB GLU A 65 6.748 4.335 9.377 1.00 0.00 C ATOM 989 CG GLU A 65 7.897 5.337 9.284 1.00 0.00 C ATOM 990 CD GLU A 65 8.141 5.981 10.647 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.449 5.619 11.583 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.016 6.827 10.734 1.00 0.00 O ATOM 0 H GLU A 65 6.187 5.713 7.420 1.00 0.00 H new ATOM 0 HA GLU A 65 7.396 3.181 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.845 4.832 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.987 3.556 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.802 4.834 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.662 6.105 8.547 1.00 0.00 H new ATOM 999 N GLU A 66 4.126 3.275 8.131 1.00 0.00 N ATOM 1000 CA GLU A 66 2.930 2.437 8.214 1.00 0.00 C ATOM 1001 C GLU A 66 2.826 1.537 6.982 1.00 0.00 C ATOM 1002 O GLU A 66 2.416 0.380 7.071 1.00 0.00 O ATOM 1003 CB GLU A 66 1.681 3.314 8.317 1.00 0.00 C ATOM 1004 CG GLU A 66 1.674 4.039 9.665 1.00 0.00 C ATOM 1005 CD GLU A 66 0.498 5.013 9.734 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.201 5.149 8.743 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.312 5.607 10.781 1.00 0.00 O ATOM 0 H GLU A 66 3.943 4.278 8.113 1.00 0.00 H new ATOM 0 HA GLU A 66 3.005 1.812 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.665 4.038 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.785 2.702 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.603 3.314 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.611 4.579 9.801 1.00 0.00 H new ATOM 1014 N PHE A 67 3.199 2.074 5.833 1.00 0.00 N ATOM 1015 CA PHE A 67 3.149 1.305 4.595 1.00 0.00 C ATOM 1016 C PHE A 67 4.149 0.153 4.636 1.00 0.00 C ATOM 1017 O PHE A 67 3.820 -0.986 4.305 1.00 0.00 O ATOM 1018 CB PHE A 67 3.457 2.212 3.405 1.00 0.00 C ATOM 1019 CG PHE A 67 3.488 1.389 2.137 1.00 0.00 C ATOM 1020 CD1 PHE A 67 2.291 0.972 1.543 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.714 1.044 1.556 1.00 0.00 C ATOM 1022 CE1 PHE A 67 2.321 0.209 0.369 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.744 0.284 0.384 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.548 -0.134 -0.211 1.00 0.00 C ATOM 0 H PHE A 67 3.537 3.031 5.728 1.00 0.00 H new ATOM 0 HA PHE A 67 2.146 0.893 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.702 2.994 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.416 2.709 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.345 1.239 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.638 1.366 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.398 -0.115 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.691 0.019 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.572 -0.721 -1.117 1.00 0.00 H new ATOM 1034 N VAL A 68 5.381 0.464 5.026 1.00 0.00 N ATOM 1035 CA VAL A 68 6.424 -0.553 5.089 1.00 0.00 C ATOM 1036 C VAL A 68 6.024 -1.692 6.024 1.00 0.00 C ATOM 1037 O VAL A 68 5.859 -2.839 5.595 1.00 0.00 O ATOM 1038 CB VAL A 68 7.733 0.077 5.588 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.766 -1.023 5.863 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.282 1.031 4.524 1.00 0.00 C ATOM 0 H VAL A 68 5.679 1.400 5.300 1.00 0.00 H new ATOM 0 HA VAL A 68 6.564 -0.958 4.087 1.00 0.00 H new ATOM 0 HB VAL A 68 7.536 0.628 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.693 -0.571 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.380 -1.703 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.960 -1.578 4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.211 1.477 4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.474 0.479 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.553 1.818 4.330 1.00 0.00 H new ATOM 1050 N LYS A 69 5.880 -1.373 7.307 1.00 0.00 N ATOM 1051 CA LYS A 69 5.522 -2.384 8.290 1.00 0.00 C ATOM 1052 C LYS A 69 4.347 -3.219 7.790 1.00 0.00 C ATOM 1053 O LYS A 69 4.331 -4.442 7.933 1.00 0.00 O ATOM 1054 CB LYS A 69 5.167 -1.709 9.623 1.00 0.00 C ATOM 1055 CG LYS A 69 3.718 -1.213 9.592 1.00 0.00 C ATOM 1056 CD LYS A 69 3.429 -0.373 10.825 1.00 0.00 C ATOM 1057 CE LYS A 69 1.931 -0.053 10.878 1.00 0.00 C ATOM 1058 NZ LYS A 69 1.193 -1.241 11.395 1.00 0.00 N ATOM 0 H LYS A 69 6.004 -0.434 7.685 1.00 0.00 H new ATOM 0 HA LYS A 69 6.374 -3.046 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.301 -2.414 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.842 -0.873 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.546 -0.623 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.035 -2.062 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.730 -0.910 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.009 0.549 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.754 0.808 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.568 0.211 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.323 -1.378 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.793 -2.086 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.947 -1.089 12.394 1.00 0.00 H new ATOM 1072 N MET A 70 3.353 -2.541 7.213 1.00 0.00 N ATOM 1073 CA MET A 70 2.181 -3.235 6.711 1.00 0.00 C ATOM 1074 C MET A 70 2.567 -4.201 5.605 1.00 0.00 C ATOM 1075 O MET A 70 2.083 -5.329 5.570 1.00 0.00 O ATOM 1076 CB MET A 70 1.164 -2.211 6.181 1.00 0.00 C ATOM 1077 CG MET A 70 0.358 -1.612 7.340 1.00 0.00 C ATOM 1078 SD MET A 70 -0.633 -2.904 8.140 1.00 0.00 S ATOM 1079 CE MET A 70 -1.672 -3.316 6.720 1.00 0.00 C ATOM 0 H MET A 70 3.341 -1.529 7.086 1.00 0.00 H new ATOM 0 HA MET A 70 1.733 -3.804 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.683 -1.418 5.642 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.491 -2.691 5.471 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.032 -1.158 8.066 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.293 -0.820 6.970 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.640 -3.674 7.069 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.815 -2.428 6.104 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.189 -4.094 6.129 1.00 0.00 H new ATOM 1089 N MET A 71 3.436 -3.756 4.712 1.00 0.00 N ATOM 1090 CA MET A 71 3.875 -4.594 3.613 1.00 0.00 C ATOM 1091 C MET A 71 4.528 -5.861 4.147 1.00 0.00 C ATOM 1092 O MET A 71 4.487 -6.910 3.503 1.00 0.00 O ATOM 1093 CB MET A 71 4.870 -3.830 2.737 1.00 0.00 C ATOM 1094 CG MET A 71 5.217 -4.663 1.502 1.00 0.00 C ATOM 1095 SD MET A 71 3.742 -4.897 0.479 1.00 0.00 S ATOM 1096 CE MET A 71 3.948 -3.428 -0.551 1.00 0.00 C ATOM 0 H MET A 71 3.849 -2.823 4.728 1.00 0.00 H new ATOM 0 HA MET A 71 3.007 -4.868 3.014 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.443 -2.874 2.434 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.774 -3.610 3.305 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.995 -4.165 0.924 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.616 -5.631 1.806 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.992 -2.913 -0.646 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.676 -2.760 -0.091 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.301 -3.723 -1.539 1.00 0.00 H new ATOM 1106 N MET A 72 5.130 -5.757 5.325 1.00 0.00 N ATOM 1107 CA MET A 72 5.784 -6.911 5.941 1.00 0.00 C ATOM 1108 C MET A 72 4.765 -7.778 6.675 1.00 0.00 C ATOM 1109 O MET A 72 4.664 -8.981 6.425 1.00 0.00 O ATOM 1110 CB MET A 72 6.854 -6.440 6.925 1.00 0.00 C ATOM 1111 CG MET A 72 7.833 -5.511 6.204 1.00 0.00 C ATOM 1112 SD MET A 72 8.689 -6.430 4.901 1.00 0.00 S ATOM 1113 CE MET A 72 9.822 -5.112 4.403 1.00 0.00 C ATOM 0 H MET A 72 5.181 -4.897 5.870 1.00 0.00 H new ATOM 0 HA MET A 72 6.248 -7.504 5.153 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.390 -5.918 7.762 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.386 -7.297 7.339 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.298 -4.664 5.775 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.555 -5.106 6.913 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.459 -5.467 3.593 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.249 -4.249 4.063 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.442 -4.825 5.252 1.00 0.00 H new ATOM 1123 N THR A 73 4.010 -7.163 7.584 1.00 0.00 N ATOM 1124 CA THR A 73 3.007 -7.894 8.352 1.00 0.00 C ATOM 1125 C THR A 73 2.218 -8.829 7.446 1.00 0.00 C ATOM 1126 O THR A 73 1.715 -9.863 7.890 1.00 0.00 O ATOM 1127 CB THR A 73 2.050 -6.906 9.025 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.799 -5.928 9.735 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.135 -7.657 9.992 1.00 0.00 C ATOM 0 H THR A 73 4.073 -6.169 7.805 1.00 0.00 H new ATOM 0 HA THR A 73 3.515 -8.487 9.112 1.00 0.00 H new ATOM 0 HB THR A 73 1.443 -6.414 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.212 -5.307 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.454 -6.953 10.470 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.559 -8.402 9.443 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.738 -8.152 10.753 1.00 0.00 H new ATOM 1137 N VAL A 74 2.123 -8.468 6.170 1.00 0.00 N ATOM 1138 CA VAL A 74 1.400 -9.295 5.211 1.00 0.00 C ATOM 1139 C VAL A 74 2.020 -10.687 5.136 1.00 0.00 C ATOM 1140 O VAL A 74 1.313 -11.694 5.162 1.00 0.00 O ATOM 1141 CB VAL A 74 1.438 -8.636 3.826 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.957 -9.634 2.763 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.519 -7.406 3.822 1.00 0.00 C ATOM 0 H VAL A 74 2.532 -7.619 5.780 1.00 0.00 H new ATOM 0 HA VAL A 74 0.365 -9.389 5.540 1.00 0.00 H new ATOM 0 HB VAL A 74 2.460 -8.332 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.986 -9.162 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.608 -10.509 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.064 -9.941 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.544 -6.936 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.501 -7.713 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.861 -6.694 4.573 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.287 -7.995 6.293 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.687 -6.950 5.360 1.00 0.00 C ATOM 1207 C GLY A 80 -6.220 -7.550 4.064 1.00 0.00 C ATOM 1208 O GLY A 80 -5.496 -8.241 3.347 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.453 -6.323 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.835 -6.305 5.143 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.486 -7.279 3.768 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.099 -7.795 2.550 1.00 0.00 C ATOM 1214 C ASN A 81 -7.603 -7.010 1.334 1.00 0.00 C ATOM 1215 O ASN A 81 -7.276 -7.586 0.290 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.624 -7.688 2.651 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.272 -8.237 1.384 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.601 -8.403 0.365 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.543 -8.532 1.386 1.00 0.00 N ATOM 0 H ASN A 81 -8.103 -6.711 4.348 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.819 -8.842 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.979 -8.242 3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.915 -6.648 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.982 -8.901 0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.097 -8.394 2.231 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.529 -5.693 1.480 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.060 -4.841 0.393 1.00 0.00 C ATOM 1228 C GLY A 82 -5.540 -4.912 0.268 1.00 0.00 C ATOM 1229 O GLY A 82 -5.000 -4.945 -0.840 1.00 0.00 O ATOM 0 H GLY A 82 -7.785 -5.194 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.522 -5.152 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.367 -3.811 0.573 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.858 -4.939 1.412 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.402 -5.013 1.415 1.00 0.00 C ATOM 1235 C TRP A 83 -2.948 -6.334 0.797 1.00 0.00 C ATOM 1236 O TRP A 83 -2.014 -6.367 -0.005 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.876 -4.898 2.845 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.181 -3.537 3.381 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -4.062 -3.268 4.379 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.637 -2.251 2.960 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.081 -1.904 4.600 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.222 -1.233 3.750 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.701 -1.873 1.980 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.888 0.112 3.575 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.365 -0.522 1.801 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.957 0.468 2.597 1.00 0.00 C ATOM 0 H TRP A 83 -5.286 -4.911 2.337 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.003 -4.188 0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.335 -5.660 3.475 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.801 -5.075 2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.651 -4.000 4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.659 -1.447 5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.238 -2.627 1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.346 0.871 4.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.646 -0.244 1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.693 1.506 2.454 1.00 0.00 H new ATOM 1257 N SER A 84 -3.614 -7.422 1.180 1.00 0.00 N ATOM 1258 CA SER A 84 -3.272 -8.741 0.655 1.00 0.00 C ATOM 1259 C SER A 84 -3.501 -8.781 -0.855 1.00 0.00 C ATOM 1260 O SER A 84 -2.714 -9.384 -1.605 1.00 0.00 O ATOM 1261 CB SER A 84 -4.129 -9.810 1.332 1.00 0.00 C ATOM 1262 OG SER A 84 -5.502 -9.529 1.096 1.00 0.00 O ATOM 0 H SER A 84 -4.387 -7.417 1.846 1.00 0.00 H new ATOM 0 HA SER A 84 -2.220 -8.939 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.876 -10.796 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.929 -9.829 2.403 1.00 0.00 H new ATOM 0 HG SER A 84 -5.847 -8.957 1.813 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.571 -8.117 -1.301 1.00 0.00 N ATOM 1269 CA ARG A 85 -4.872 -8.063 -2.728 1.00 0.00 C ATOM 1270 C ARG A 85 -3.792 -7.295 -3.473 1.00 0.00 C ATOM 1271 O ARG A 85 -3.396 -7.682 -4.566 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.241 -7.413 -2.951 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.345 -8.429 -2.653 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.709 -7.752 -2.781 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.893 -6.786 -1.703 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.947 -5.978 -1.679 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -10.837 -6.038 -2.629 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -10.090 -5.123 -0.704 1.00 0.00 N ATOM 0 H ARG A 85 -5.231 -7.618 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.898 -9.080 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.351 -6.542 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.325 -7.061 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.278 -9.269 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.221 -8.833 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.786 -7.251 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.500 -8.501 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.201 -6.730 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.725 -6.706 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.646 -5.417 -2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.393 -5.075 0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.899 -4.502 -0.685 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.323 -6.215 -2.874 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.279 -5.402 -3.481 1.00 0.00 C ATOM 1294 C LEU A 86 -0.960 -6.170 -3.492 1.00 0.00 C ATOM 1295 O LEU A 86 -0.127 -5.992 -4.379 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.126 -4.087 -2.718 1.00 0.00 C ATOM 1297 CG LEU A 86 -0.884 -3.322 -3.238 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.192 -1.826 -3.327 1.00 0.00 C ATOM 1299 CD2 LEU A 86 0.298 -3.545 -2.277 1.00 0.00 C ATOM 0 H LEU A 86 -3.647 -5.879 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.559 -5.175 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.020 -3.476 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.023 -4.285 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.625 -3.695 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.314 -1.295 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.025 -1.666 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.457 -1.450 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.172 -3.006 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.035 -3.177 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.525 -4.610 -2.221 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.777 -7.015 -2.484 1.00 0.00 N ATOM 1312 CA ARG A 87 0.439 -7.804 -2.380 1.00 0.00 C ATOM 1313 C ARG A 87 0.553 -8.736 -3.576 1.00 0.00 C ATOM 1314 O ARG A 87 1.439 -8.576 -4.422 1.00 0.00 O ATOM 1315 CB ARG A 87 0.424 -8.620 -1.089 1.00 0.00 C ATOM 1316 CG ARG A 87 1.826 -9.199 -0.826 1.00 0.00 C ATOM 1317 CD ARG A 87 2.756 -8.111 -0.261 1.00 0.00 C ATOM 1318 NE ARG A 87 3.363 -7.354 -1.352 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.478 -7.764 -1.939 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.050 -8.868 -1.544 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.001 -7.068 -2.913 1.00 0.00 N ATOM 0 H ARG A 87 -1.451 -7.169 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 87 1.297 -7.132 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.117 -7.991 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.305 -9.427 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.758 -10.030 -0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.242 -9.598 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.192 -7.441 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.533 -8.568 0.351 1.00 0.00 H new ATOM 0 HE ARG A 87 2.920 -6.492 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.639 -9.412 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.908 -9.187 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.551 -6.207 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.859 -7.386 -3.363 1.00 0.00 H new ATOM 1335 N ARG A 88 -0.339 -9.719 -3.633 1.00 0.00 N ATOM 1336 CA ARG A 88 -0.316 -10.686 -4.733 1.00 0.00 C ATOM 1337 C ARG A 88 -0.297 -9.958 -6.074 1.00 0.00 C ATOM 1338 O ARG A 88 0.346 -10.403 -7.025 1.00 0.00 O ATOM 1339 CB ARG A 88 -1.554 -11.579 -4.663 1.00 0.00 C ATOM 1340 CG ARG A 88 -1.376 -12.779 -5.596 1.00 0.00 C ATOM 1341 CD ARG A 88 -2.629 -13.656 -5.541 1.00 0.00 C ATOM 1342 NE ARG A 88 -2.791 -14.225 -4.208 1.00 0.00 N ATOM 1343 CZ ARG A 88 -2.018 -15.221 -3.788 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -1.096 -15.708 -4.572 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -2.182 -15.712 -2.589 1.00 0.00 N ATOM 0 H ARG A 88 -1.077 -9.869 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 88 0.582 -11.297 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.710 -11.921 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.440 -11.012 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.202 -12.438 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.501 -13.357 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.507 -13.064 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.554 -14.455 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.510 -13.852 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.968 -15.324 -5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.503 -16.472 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.903 -15.331 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.589 -16.477 -2.266 1.00 0.00 H new