USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 576 hydrogens (19 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 NoAdj-H: B 4 M3L H2 : B 4 M3L N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 M3L H : B 4 M3L N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 284 SER OG : rot 180:sc= 0.467 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.15 K(o=1.6,f=1) USER MOD Single : A 240 SER OG : rot -111:sc= 0.195 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 GLN : amide:sc= 1.04 K(o=1,f=-0.28) USER MOD Single : A 253 CYS SG : rot 180:sc= 0.0767 USER MOD Single : A 258 GLN : amide:sc= 0.845 K(o=0.85,f=-2.3!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0358 K(o=0.036,f=-1.1) USER MOD Single : A 266 LYS NZ :NH3+ -110:sc= 1.4 (180deg=0.0865) USER MOD Single : A 271 CYS SG : rot 180:sc= 0.0208 USER MOD Single : A 273 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 277 SER OG : rot -39:sc= 0.0787 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.34) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 292 GLN : amide:sc=-0.00693 K(o=-0.0069,f=-0.77) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 155:sc= 1.1 (180deg=0.684) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 6 THR OG1 : rot 160:sc= 0.236 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0.494 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 -8.029 -17.035 -23.380 1.00 0.00 N ATOM 2 CA GLY A 239 -7.043 -18.119 -23.573 1.00 0.00 C ATOM 3 C GLY A 239 -5.672 -17.557 -23.914 1.00 0.00 C ATOM 4 O GLY A 239 -5.537 -16.793 -24.870 1.00 0.00 O ATOM 0 HA2 GLY A 239 -6.978 -18.721 -22.667 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -7.377 -18.781 -24.372 1.00 0.00 H new ATOM 10 N SER A 240 -4.643 -17.920 -23.145 1.00 0.00 N ATOM 11 CA SER A 240 -3.250 -17.456 -23.295 1.00 0.00 C ATOM 12 C SER A 240 -2.286 -18.327 -22.450 1.00 0.00 C ATOM 13 O SER A 240 -2.664 -19.396 -21.962 1.00 0.00 O ATOM 14 CB SER A 240 -3.147 -15.962 -22.913 1.00 0.00 C ATOM 15 OG SER A 240 -1.934 -15.376 -23.377 1.00 0.00 O ATOM 0 H SER A 240 -4.755 -18.571 -22.368 1.00 0.00 H new ATOM 0 HA SER A 240 -2.952 -17.561 -24.338 1.00 0.00 H new ATOM 0 HB2 SER A 240 -3.995 -15.421 -23.333 1.00 0.00 H new ATOM 0 HB3 SER A 240 -3.208 -15.860 -21.830 1.00 0.00 H new ATOM 0 HG SER A 240 -1.359 -15.166 -22.612 1.00 0.00 H new ATOM 21 N SER A 241 -1.047 -17.877 -22.245 1.00 0.00 N ATOM 22 CA SER A 241 -0.013 -18.538 -21.434 1.00 0.00 C ATOM 23 C SER A 241 0.993 -17.506 -20.887 1.00 0.00 C ATOM 24 O SER A 241 1.246 -16.474 -21.521 1.00 0.00 O ATOM 25 CB SER A 241 0.695 -19.621 -22.264 1.00 0.00 C ATOM 26 OG SER A 241 1.558 -20.408 -21.452 1.00 0.00 O ATOM 0 H SER A 241 -0.718 -17.003 -22.656 1.00 0.00 H new ATOM 0 HA SER A 241 -0.489 -19.019 -20.579 1.00 0.00 H new ATOM 0 HB2 SER A 241 -0.047 -20.263 -22.739 1.00 0.00 H new ATOM 0 HB3 SER A 241 1.270 -19.153 -23.063 1.00 0.00 H new ATOM 0 HG SER A 241 1.994 -21.090 -22.004 1.00 0.00 H new ATOM 32 N GLY A 242 1.547 -17.763 -19.693 1.00 0.00 N ATOM 33 CA GLY A 242 2.368 -16.822 -18.916 1.00 0.00 C ATOM 34 C GLY A 242 1.710 -16.466 -17.582 1.00 0.00 C ATOM 35 O GLY A 242 1.220 -17.349 -16.879 1.00 0.00 O ATOM 0 H GLY A 242 1.432 -18.662 -19.226 1.00 0.00 H new ATOM 0 HA2 GLY A 242 3.349 -17.260 -18.732 1.00 0.00 H new ATOM 0 HA3 GLY A 242 2.528 -15.914 -19.497 1.00 0.00 H new ATOM 39 N SER A 243 1.735 -15.181 -17.214 1.00 0.00 N ATOM 40 CA SER A 243 1.142 -14.625 -15.974 1.00 0.00 C ATOM 41 C SER A 243 1.917 -15.012 -14.687 1.00 0.00 C ATOM 42 O SER A 243 1.450 -14.815 -13.564 1.00 0.00 O ATOM 43 CB SER A 243 -0.361 -14.969 -15.889 1.00 0.00 C ATOM 44 OG SER A 243 -1.091 -13.974 -15.179 1.00 0.00 O ATOM 0 H SER A 243 2.183 -14.466 -17.787 1.00 0.00 H new ATOM 0 HA SER A 243 1.236 -13.541 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 243 -0.768 -15.070 -16.895 1.00 0.00 H new ATOM 0 HB3 SER A 243 -0.486 -15.933 -15.396 1.00 0.00 H new ATOM 0 HG SER A 243 -2.038 -14.224 -15.146 1.00 0.00 H new ATOM 50 N SER A 244 3.126 -15.564 -14.829 1.00 0.00 N ATOM 51 CA SER A 244 3.988 -16.040 -13.732 1.00 0.00 C ATOM 52 C SER A 244 4.837 -14.936 -13.062 1.00 0.00 C ATOM 53 O SER A 244 5.483 -15.186 -12.039 1.00 0.00 O ATOM 54 CB SER A 244 4.889 -17.163 -14.275 1.00 0.00 C ATOM 55 OG SER A 244 5.588 -16.752 -15.448 1.00 0.00 O ATOM 0 H SER A 244 3.552 -15.699 -15.746 1.00 0.00 H new ATOM 0 HA SER A 244 3.333 -16.406 -12.942 1.00 0.00 H new ATOM 0 HB2 SER A 244 5.605 -17.459 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 244 4.283 -18.040 -14.500 1.00 0.00 H new ATOM 0 HG SER A 244 6.153 -17.487 -15.767 1.00 0.00 H new ATOM 61 N GLY A 245 4.827 -13.713 -13.609 1.00 0.00 N ATOM 62 CA GLY A 245 5.578 -12.545 -13.128 1.00 0.00 C ATOM 63 C GLY A 245 5.974 -11.575 -14.245 1.00 0.00 C ATOM 64 O GLY A 245 5.738 -11.841 -15.426 1.00 0.00 O ATOM 0 H GLY A 245 4.270 -13.501 -14.437 1.00 0.00 H new ATOM 0 HA2 GLY A 245 4.976 -12.013 -12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 245 6.478 -12.886 -12.617 1.00 0.00 H new ATOM 68 N GLU A 246 6.583 -10.448 -13.867 1.00 0.00 N ATOM 69 CA GLU A 246 7.014 -9.364 -14.761 1.00 0.00 C ATOM 70 C GLU A 246 8.310 -8.718 -14.240 1.00 0.00 C ATOM 71 O GLU A 246 8.496 -8.545 -13.033 1.00 0.00 O ATOM 72 CB GLU A 246 5.917 -8.290 -14.899 1.00 0.00 C ATOM 73 CG GLU A 246 4.672 -8.783 -15.647 1.00 0.00 C ATOM 74 CD GLU A 246 3.671 -7.642 -15.865 1.00 0.00 C ATOM 75 OE1 GLU A 246 3.794 -6.903 -16.873 1.00 0.00 O ATOM 76 OE2 GLU A 246 2.743 -7.487 -15.037 1.00 0.00 O ATOM 0 H GLU A 246 6.799 -10.256 -12.889 1.00 0.00 H new ATOM 0 HA GLU A 246 7.201 -9.798 -15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 246 5.624 -7.951 -13.905 1.00 0.00 H new ATOM 0 HB3 GLU A 246 6.328 -7.427 -15.422 1.00 0.00 H new ATOM 0 HG2 GLU A 246 4.965 -9.203 -16.609 1.00 0.00 H new ATOM 0 HG3 GLU A 246 4.197 -9.584 -15.081 1.00 0.00 H new ATOM 83 N ILE A 247 9.225 -8.366 -15.152 1.00 0.00 N ATOM 84 CA ILE A 247 10.569 -7.869 -14.830 1.00 0.00 C ATOM 85 C ILE A 247 10.525 -6.346 -14.618 1.00 0.00 C ATOM 86 O ILE A 247 10.888 -5.550 -15.487 1.00 0.00 O ATOM 87 CB ILE A 247 11.607 -8.324 -15.892 1.00 0.00 C ATOM 88 CG1 ILE A 247 11.641 -9.853 -16.160 1.00 0.00 C ATOM 89 CG2 ILE A 247 13.025 -7.929 -15.423 1.00 0.00 C ATOM 90 CD1 ILE A 247 10.490 -10.446 -16.986 1.00 0.00 C ATOM 0 H ILE A 247 9.048 -8.420 -16.155 1.00 0.00 H new ATOM 0 HA ILE A 247 10.907 -8.309 -13.892 1.00 0.00 H new ATOM 0 HB ILE A 247 11.300 -7.830 -16.814 1.00 0.00 H new ATOM 0 HG12 ILE A 247 12.577 -10.086 -16.668 1.00 0.00 H new ATOM 0 HG13 ILE A 247 11.665 -10.364 -15.198 1.00 0.00 H new ATOM 0 HG21 ILE A 247 13.756 -8.247 -16.166 1.00 0.00 H new ATOM 0 HG22 ILE A 247 13.079 -6.847 -15.300 1.00 0.00 H new ATOM 0 HG23 ILE A 247 13.241 -8.414 -14.471 1.00 0.00 H new ATOM 0 HD11 ILE A 247 10.638 -11.520 -17.097 1.00 0.00 H new ATOM 0 HD12 ILE A 247 9.544 -10.261 -16.477 1.00 0.00 H new ATOM 0 HD13 ILE A 247 10.470 -9.978 -17.970 1.00 0.00 H new ATOM 102 N SER A 248 10.067 -5.926 -13.442 1.00 0.00 N ATOM 103 CA SER A 248 9.991 -4.515 -13.026 1.00 0.00 C ATOM 104 C SER A 248 11.353 -3.989 -12.524 1.00 0.00 C ATOM 105 O SER A 248 11.506 -3.615 -11.359 1.00 0.00 O ATOM 106 CB SER A 248 8.881 -4.330 -11.974 1.00 0.00 C ATOM 107 OG SER A 248 7.612 -4.715 -12.490 1.00 0.00 O ATOM 0 H SER A 248 9.727 -6.570 -12.727 1.00 0.00 H new ATOM 0 HA SER A 248 9.734 -3.916 -13.900 1.00 0.00 H new ATOM 0 HB2 SER A 248 9.112 -4.924 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 248 8.847 -3.287 -11.658 1.00 0.00 H new ATOM 0 HG SER A 248 6.927 -4.589 -11.801 1.00 0.00 H new ATOM 113 N GLY A 249 12.369 -3.980 -13.398 1.00 0.00 N ATOM 114 CA GLY A 249 13.750 -3.579 -13.071 1.00 0.00 C ATOM 115 C GLY A 249 13.992 -2.064 -13.022 1.00 0.00 C ATOM 116 O GLY A 249 15.071 -1.632 -12.613 1.00 0.00 O ATOM 0 H GLY A 249 12.254 -4.257 -14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 249 14.017 -4.006 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 249 14.423 -4.015 -13.809 1.00 0.00 H new ATOM 120 N PHE A 250 13.005 -1.259 -13.429 1.00 0.00 N ATOM 121 CA PHE A 250 13.055 0.199 -13.555 1.00 0.00 C ATOM 122 C PHE A 250 11.640 0.804 -13.483 1.00 0.00 C ATOM 123 O PHE A 250 10.652 0.116 -13.754 1.00 0.00 O ATOM 124 CB PHE A 250 13.757 0.555 -14.876 1.00 0.00 C ATOM 125 CG PHE A 250 13.037 0.095 -16.134 1.00 0.00 C ATOM 126 CD1 PHE A 250 13.285 -1.186 -16.663 1.00 0.00 C ATOM 127 CD2 PHE A 250 12.112 0.944 -16.774 1.00 0.00 C ATOM 128 CE1 PHE A 250 12.606 -1.620 -17.816 1.00 0.00 C ATOM 129 CE2 PHE A 250 11.435 0.511 -17.928 1.00 0.00 C ATOM 130 CZ PHE A 250 11.680 -0.772 -18.449 1.00 0.00 C ATOM 0 H PHE A 250 12.094 -1.633 -13.695 1.00 0.00 H new ATOM 0 HA PHE A 250 13.621 0.623 -12.726 1.00 0.00 H new ATOM 0 HB2 PHE A 250 13.882 1.637 -14.923 1.00 0.00 H new ATOM 0 HB3 PHE A 250 14.756 0.119 -14.868 1.00 0.00 H new ATOM 0 HD1 PHE A 250 13.999 -1.838 -16.182 1.00 0.00 H new ATOM 0 HD2 PHE A 250 11.922 1.930 -16.377 1.00 0.00 H new ATOM 0 HE1 PHE A 250 12.796 -2.605 -18.215 1.00 0.00 H new ATOM 0 HE2 PHE A 250 10.726 1.165 -18.415 1.00 0.00 H new ATOM 0 HZ PHE A 250 11.158 -1.105 -19.334 1.00 0.00 H new ATOM 140 N GLY A 251 11.535 2.084 -13.097 1.00 0.00 N ATOM 141 CA GLY A 251 10.247 2.790 -12.967 1.00 0.00 C ATOM 142 C GLY A 251 9.347 2.177 -11.889 1.00 0.00 C ATOM 143 O GLY A 251 8.140 2.047 -12.088 1.00 0.00 O ATOM 0 H GLY A 251 12.342 2.663 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 251 10.433 3.837 -12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 251 9.727 2.769 -13.925 1.00 0.00 H new ATOM 147 N GLN A 252 9.948 1.744 -10.776 1.00 0.00 N ATOM 148 CA GLN A 252 9.307 0.925 -9.745 1.00 0.00 C ATOM 149 C GLN A 252 8.299 1.728 -8.906 1.00 0.00 C ATOM 150 O GLN A 252 8.674 2.484 -8.005 1.00 0.00 O ATOM 151 CB GLN A 252 10.386 0.285 -8.854 1.00 0.00 C ATOM 152 CG GLN A 252 11.289 -0.706 -9.609 1.00 0.00 C ATOM 153 CD GLN A 252 12.324 -1.381 -8.701 1.00 0.00 C ATOM 154 OE1 GLN A 252 12.799 -0.829 -7.715 1.00 0.00 O ATOM 155 NE2 GLN A 252 12.714 -2.603 -8.994 1.00 0.00 N ATOM 0 H GLN A 252 10.922 1.960 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 252 8.737 0.140 -10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 252 11.004 1.072 -8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 252 9.903 -0.233 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 252 10.669 -1.471 -10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 252 11.806 -0.180 -10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 252 12.330 -3.079 -9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 252 13.400 -3.074 -8.405 1.00 0.00 H new ATOM 164 N CYS A 253 7.008 1.525 -9.176 1.00 0.00 N ATOM 165 CA CYS A 253 5.895 2.017 -8.362 1.00 0.00 C ATOM 166 C CYS A 253 5.506 1.020 -7.251 1.00 0.00 C ATOM 167 O CYS A 253 5.915 -0.147 -7.251 1.00 0.00 O ATOM 168 CB CYS A 253 4.704 2.334 -9.290 1.00 0.00 C ATOM 169 SG CYS A 253 4.136 0.834 -10.150 1.00 0.00 S ATOM 0 H CYS A 253 6.699 0.997 -9.992 1.00 0.00 H new ATOM 0 HA CYS A 253 6.204 2.928 -7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 253 3.885 2.756 -8.707 1.00 0.00 H new ATOM 0 HB3 CYS A 253 4.997 3.088 -10.020 1.00 0.00 H new ATOM 0 HG CYS A 253 3.132 1.130 -10.922 1.00 0.00 H new ATOM 175 N LEU A 254 4.656 1.482 -6.333 1.00 0.00 N ATOM 176 CA LEU A 254 4.010 0.687 -5.292 1.00 0.00 C ATOM 177 C LEU A 254 2.652 1.317 -4.955 1.00 0.00 C ATOM 178 O LEU A 254 2.586 2.509 -4.661 1.00 0.00 O ATOM 179 CB LEU A 254 4.954 0.624 -4.072 1.00 0.00 C ATOM 180 CG LEU A 254 4.444 -0.234 -2.898 1.00 0.00 C ATOM 181 CD1 LEU A 254 4.200 -1.682 -3.338 1.00 0.00 C ATOM 182 CD2 LEU A 254 5.472 -0.209 -1.760 1.00 0.00 C ATOM 0 H LEU A 254 4.388 2.465 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 254 3.821 -0.334 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 254 5.918 0.232 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 254 5.127 1.638 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 254 3.498 0.183 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 254 3.841 -2.264 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 254 3.454 -1.700 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.132 -2.113 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 254 5.111 -0.816 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 254 6.420 -0.611 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 254 5.617 0.817 -1.423 1.00 0.00 H new ATOM 194 N VAL A 255 1.573 0.535 -5.009 1.00 0.00 N ATOM 195 CA VAL A 255 0.211 0.989 -4.669 1.00 0.00 C ATOM 196 C VAL A 255 -0.017 0.800 -3.168 1.00 0.00 C ATOM 197 O VAL A 255 0.367 -0.228 -2.610 1.00 0.00 O ATOM 198 CB VAL A 255 -0.875 0.236 -5.480 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.298 0.744 -5.169 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.631 0.364 -6.993 1.00 0.00 C ATOM 0 H VAL A 255 1.614 -0.444 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 255 0.126 2.044 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.801 -0.809 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.022 0.185 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.511 0.603 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.368 1.803 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.409 -0.175 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.653 1.416 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.343 -0.059 -7.242 1.00 0.00 H new ATOM 210 N TRP A 256 -0.667 1.778 -2.532 1.00 0.00 N ATOM 211 CA TRP A 256 -1.039 1.744 -1.118 1.00 0.00 C ATOM 212 C TRP A 256 -2.516 2.119 -0.909 1.00 0.00 C ATOM 213 O TRP A 256 -3.084 2.931 -1.644 1.00 0.00 O ATOM 214 CB TRP A 256 -0.145 2.695 -0.310 1.00 0.00 C ATOM 215 CG TRP A 256 1.316 2.405 -0.225 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.224 2.653 -1.192 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.070 1.858 0.902 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.486 2.350 -0.730 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.448 1.803 0.535 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.728 1.392 2.193 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.430 1.271 1.384 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.698 0.826 3.039 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.041 0.753 2.632 1.00 0.00 C ATOM 0 H TRP A 256 -0.956 2.637 -3.000 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.897 0.722 -0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.260 3.694 -0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.535 2.731 0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.996 3.031 -2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.343 2.511 -1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.706 1.472 2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.467 1.260 1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.409 0.445 4.007 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.776 0.298 3.279 1.00 0.00 H new ATOM 234 N VAL A 257 -3.113 1.550 0.138 1.00 0.00 N ATOM 235 CA VAL A 257 -4.538 1.673 0.501 1.00 0.00 C ATOM 236 C VAL A 257 -4.679 2.009 1.983 1.00 0.00 C ATOM 237 O VAL A 257 -4.021 1.386 2.814 1.00 0.00 O ATOM 238 CB VAL A 257 -5.318 0.369 0.207 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.783 0.331 -1.247 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.522 -0.911 0.509 1.00 0.00 C ATOM 0 H VAL A 257 -2.598 0.961 0.792 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.957 2.475 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.174 0.387 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.329 -0.595 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.435 1.182 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.917 0.378 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.134 -1.783 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.619 -0.930 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.248 -0.929 1.564 1.00 0.00 H new ATOM 250 N GLN A 258 -5.524 2.992 2.306 1.00 0.00 N ATOM 251 CA GLN A 258 -5.796 3.402 3.684 1.00 0.00 C ATOM 252 C GLN A 258 -7.052 2.703 4.220 1.00 0.00 C ATOM 253 O GLN A 258 -8.095 2.686 3.558 1.00 0.00 O ATOM 254 CB GLN A 258 -5.944 4.927 3.778 1.00 0.00 C ATOM 255 CG GLN A 258 -5.965 5.419 5.240 1.00 0.00 C ATOM 256 CD GLN A 258 -5.857 6.941 5.377 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.487 7.714 4.668 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.067 7.439 6.306 1.00 0.00 N ATOM 0 H GLN A 258 -6.042 3.530 1.611 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.949 3.103 4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.120 5.404 3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.864 5.233 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.888 5.085 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.142 4.954 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.532 6.814 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.990 8.449 6.422 1.00 0.00 H new ATOM 267 N CYS A 259 -6.951 2.170 5.440 1.00 0.00 N ATOM 268 CA CYS A 259 -8.039 1.535 6.176 1.00 0.00 C ATOM 269 C CYS A 259 -9.274 2.454 6.330 1.00 0.00 C ATOM 270 O CYS A 259 -9.155 3.647 6.629 1.00 0.00 O ATOM 271 CB CYS A 259 -7.469 1.125 7.536 1.00 0.00 C ATOM 272 SG CYS A 259 -8.611 -0.021 8.354 1.00 0.00 S ATOM 0 H CYS A 259 -6.073 2.171 5.960 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.403 0.668 5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.495 0.653 7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.315 2.007 8.158 1.00 0.00 H new ATOM 277 N SER A 260 -10.469 1.897 6.137 1.00 0.00 N ATOM 278 CA SER A 260 -11.751 2.612 6.245 1.00 0.00 C ATOM 279 C SER A 260 -12.080 3.096 7.669 1.00 0.00 C ATOM 280 O SER A 260 -12.843 4.055 7.826 1.00 0.00 O ATOM 281 CB SER A 260 -12.905 1.742 5.716 1.00 0.00 C ATOM 282 OG SER A 260 -12.993 0.485 6.378 1.00 0.00 O ATOM 0 H SER A 260 -10.581 0.912 5.895 1.00 0.00 H new ATOM 0 HA SER A 260 -11.639 3.505 5.630 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.845 2.279 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.769 1.577 4.647 1.00 0.00 H new ATOM 0 HG SER A 260 -13.741 -0.028 6.007 1.00 0.00 H new ATOM 288 N PHE A 261 -11.511 2.472 8.709 1.00 0.00 N ATOM 289 CA PHE A 261 -11.734 2.864 10.097 1.00 0.00 C ATOM 290 C PHE A 261 -10.897 4.092 10.499 1.00 0.00 C ATOM 291 O PHE A 261 -9.693 4.133 10.222 1.00 0.00 O ATOM 292 CB PHE A 261 -11.445 1.685 11.027 1.00 0.00 C ATOM 293 CG PHE A 261 -12.405 0.524 10.887 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.719 0.633 11.379 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.979 -0.671 10.282 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.605 -0.454 11.259 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.858 -1.761 10.174 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.174 -1.652 10.657 1.00 0.00 C ATOM 0 H PHE A 261 -10.880 1.677 8.605 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.781 3.150 10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.433 1.328 10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.469 2.038 12.058 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.047 1.549 11.848 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.972 -0.751 9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.616 -0.369 11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.523 -2.682 9.720 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.854 -2.486 10.566 1.00 0.00 H new ATOM 308 N PRO A 262 -11.505 5.065 11.205 1.00 0.00 N ATOM 309 CA PRO A 262 -10.850 6.300 11.628 1.00 0.00 C ATOM 310 C PRO A 262 -9.828 6.068 12.749 1.00 0.00 C ATOM 311 O PRO A 262 -8.801 6.740 12.797 1.00 0.00 O ATOM 312 CB PRO A 262 -11.997 7.195 12.100 1.00 0.00 C ATOM 313 CG PRO A 262 -13.060 6.219 12.604 1.00 0.00 C ATOM 314 CD PRO A 262 -12.891 5.039 11.656 1.00 0.00 C ATOM 0 HA PRO A 262 -10.274 6.745 10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.673 7.872 12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.379 7.813 11.287 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.891 5.934 13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.062 6.645 12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.117 4.100 12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.575 5.119 10.811 1.00 0.00 H new ATOM 322 N ASN A 263 -10.081 5.082 13.617 1.00 0.00 N ATOM 323 CA ASN A 263 -9.163 4.634 14.673 1.00 0.00 C ATOM 324 C ASN A 263 -7.993 3.768 14.152 1.00 0.00 C ATOM 325 O ASN A 263 -7.087 3.431 14.918 1.00 0.00 O ATOM 326 CB ASN A 263 -9.971 3.907 15.760 1.00 0.00 C ATOM 327 CG ASN A 263 -10.643 2.638 15.242 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.679 2.691 14.590 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.073 1.474 15.497 1.00 0.00 N ATOM 0 H ASN A 263 -10.956 4.558 13.605 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.685 5.518 15.096 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.311 3.652 16.589 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.731 4.581 16.154 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.495 0.613 15.151 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.211 1.437 16.040 1.00 0.00 H new ATOM 336 N CYS A 264 -8.005 3.428 12.856 1.00 0.00 N ATOM 337 CA CYS A 264 -6.906 2.796 12.130 1.00 0.00 C ATOM 338 C CYS A 264 -6.170 3.875 11.322 1.00 0.00 C ATOM 339 O CYS A 264 -5.122 4.366 11.748 1.00 0.00 O ATOM 340 CB CYS A 264 -7.472 1.668 11.247 1.00 0.00 C ATOM 341 SG CYS A 264 -6.445 0.177 11.280 1.00 0.00 S ATOM 0 H CYS A 264 -8.818 3.595 12.263 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.184 2.342 12.809 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.479 1.419 11.583 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.557 2.023 10.220 1.00 0.00 H new ATOM 346 N GLY A 265 -6.722 4.236 10.154 1.00 0.00 N ATOM 347 CA GLY A 265 -6.112 5.147 9.192 1.00 0.00 C ATOM 348 C GLY A 265 -4.787 4.627 8.633 1.00 0.00 C ATOM 349 O GLY A 265 -4.024 5.398 8.054 1.00 0.00 O ATOM 0 H GLY A 265 -7.632 3.888 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.806 5.315 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.944 6.112 9.670 1.00 0.00 H new ATOM 353 N LYS A 266 -4.501 3.334 8.816 1.00 0.00 N ATOM 354 CA LYS A 266 -3.242 2.705 8.427 1.00 0.00 C ATOM 355 C LYS A 266 -3.142 2.521 6.917 1.00 0.00 C ATOM 356 O LYS A 266 -4.127 2.164 6.267 1.00 0.00 O ATOM 357 CB LYS A 266 -3.104 1.343 9.108 1.00 0.00 C ATOM 358 CG LYS A 266 -2.931 1.460 10.616 1.00 0.00 C ATOM 359 CD LYS A 266 -2.781 0.041 11.158 1.00 0.00 C ATOM 360 CE LYS A 266 -2.722 0.033 12.676 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.025 0.413 13.284 1.00 0.00 N ATOM 0 H LYS A 266 -5.156 2.683 9.249 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.437 3.367 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.987 0.742 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.248 0.815 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.054 2.060 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.791 1.956 11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.619 -0.570 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.875 -0.411 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.435 -0.960 13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.949 0.724 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -3.941 1.350 13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.757 0.443 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.289 -0.288 14.005 1.00 0.00 H new ATOM 375 N TRP A 267 -1.941 2.684 6.372 1.00 0.00 N ATOM 376 CA TRP A 267 -1.638 2.390 4.980 1.00 0.00 C ATOM 377 C TRP A 267 -0.988 1.010 4.866 1.00 0.00 C ATOM 378 O TRP A 267 0.047 0.746 5.482 1.00 0.00 O ATOM 379 CB TRP A 267 -0.758 3.504 4.406 1.00 0.00 C ATOM 380 CG TRP A 267 -1.434 4.834 4.300 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.486 5.771 5.271 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.176 5.389 3.173 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.159 6.884 4.805 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.598 6.709 3.510 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.539 4.901 1.902 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.308 7.519 2.610 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.262 5.698 0.998 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.626 7.013 1.338 1.00 0.00 C ATOM 0 H TRP A 267 -1.138 3.031 6.897 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.555 2.358 4.392 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.128 3.609 5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.414 3.205 3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.066 5.666 6.260 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.312 7.731 5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.257 3.898 1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.606 8.518 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.540 5.297 0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.148 7.632 0.624 1.00 0.00 H new ATOM 399 N ARG A 268 -1.600 0.140 4.059 1.00 0.00 N ATOM 400 CA ARG A 268 -1.036 -1.148 3.645 1.00 0.00 C ATOM 401 C ARG A 268 -0.686 -1.074 2.153 1.00 0.00 C ATOM 402 O ARG A 268 -1.388 -0.410 1.379 1.00 0.00 O ATOM 403 CB ARG A 268 -2.014 -2.305 3.921 1.00 0.00 C ATOM 404 CG ARG A 268 -2.697 -2.320 5.300 1.00 0.00 C ATOM 405 CD ARG A 268 -1.770 -2.343 6.515 1.00 0.00 C ATOM 406 NE ARG A 268 -2.578 -2.511 7.732 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.141 -2.679 8.967 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.881 -2.538 9.306 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.999 -2.984 9.902 1.00 0.00 N ATOM 0 H ARG A 268 -2.524 0.316 3.665 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.136 -1.348 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.791 -2.283 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.473 -3.244 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.337 -1.441 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.348 -3.193 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.052 -3.158 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.197 -1.417 6.569 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.590 -2.496 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.188 -2.287 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.595 -2.679 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.987 -3.089 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.681 -3.118 10.862 1.00 0.00 H new ATOM 423 N ARG A 269 0.411 -1.725 1.768 1.00 0.00 N ATOM 424 CA ARG A 269 0.890 -1.832 0.383 1.00 0.00 C ATOM 425 C ARG A 269 0.258 -3.037 -0.336 1.00 0.00 C ATOM 426 O ARG A 269 -0.152 -4.001 0.313 1.00 0.00 O ATOM 427 CB ARG A 269 2.426 -1.895 0.358 1.00 0.00 C ATOM 428 CG ARG A 269 2.984 -3.089 1.139 1.00 0.00 C ATOM 429 CD ARG A 269 4.513 -3.172 1.105 1.00 0.00 C ATOM 430 NE ARG A 269 4.954 -4.332 1.892 1.00 0.00 N ATOM 431 CZ ARG A 269 4.799 -5.604 1.555 1.00 0.00 C ATOM 432 NH1 ARG A 269 4.489 -5.988 0.333 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.915 -6.540 2.463 1.00 0.00 N ATOM 0 H ARG A 269 1.014 -2.211 2.432 1.00 0.00 H new ATOM 0 HA ARG A 269 0.579 -0.941 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.766 -1.952 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.830 -0.973 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.653 -3.023 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 269 2.568 -4.009 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 269 4.861 -3.263 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.947 -2.258 1.509 1.00 0.00 H new ATOM 0 HE ARG A 269 5.422 -4.141 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 269 4.358 -5.293 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 269 4.380 -6.980 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.125 -6.290 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.796 -7.519 2.204 1.00 0.00 H new ATOM 447 N LEU A 270 0.210 -2.993 -1.669 1.00 0.00 N ATOM 448 CA LEU A 270 -0.427 -3.994 -2.541 1.00 0.00 C ATOM 449 C LEU A 270 0.506 -4.455 -3.672 1.00 0.00 C ATOM 450 O LEU A 270 1.545 -3.845 -3.933 1.00 0.00 O ATOM 451 CB LEU A 270 -1.713 -3.390 -3.145 1.00 0.00 C ATOM 452 CG LEU A 270 -2.799 -2.955 -2.150 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.953 -2.366 -2.967 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.337 -4.103 -1.282 1.00 0.00 C ATOM 0 H LEU A 270 0.630 -2.228 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.661 -4.869 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.434 -2.524 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.147 -4.123 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.357 -2.234 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.748 -2.044 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.594 -1.511 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.340 -3.123 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.100 -3.720 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.772 -4.870 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.521 -4.535 -0.703 1.00 0.00 H new ATOM 466 N CYS A 271 0.106 -5.521 -4.371 1.00 0.00 N ATOM 467 CA CYS A 271 0.785 -6.037 -5.565 1.00 0.00 C ATOM 468 C CYS A 271 0.707 -5.037 -6.737 1.00 0.00 C ATOM 469 O CYS A 271 -0.336 -4.417 -6.964 1.00 0.00 O ATOM 470 CB CYS A 271 0.149 -7.392 -5.919 1.00 0.00 C ATOM 471 SG CYS A 271 1.050 -8.168 -7.292 1.00 0.00 S ATOM 0 H CYS A 271 -0.720 -6.063 -4.117 1.00 0.00 H new ATOM 0 HA CYS A 271 1.847 -6.173 -5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 271 0.164 -8.047 -5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.896 -7.251 -6.194 1.00 0.00 H new ATOM 0 HG CYS A 271 0.503 -9.312 -7.578 1.00 0.00 H new ATOM 477 N GLY A 272 1.781 -4.927 -7.528 1.00 0.00 N ATOM 478 CA GLY A 272 1.876 -4.015 -8.684 1.00 0.00 C ATOM 479 C GLY A 272 0.924 -4.343 -9.844 1.00 0.00 C ATOM 480 O GLY A 272 0.740 -3.510 -10.730 1.00 0.00 O ATOM 0 H GLY A 272 2.627 -5.478 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.676 -2.999 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 272 2.900 -4.030 -9.058 1.00 0.00 H new ATOM 484 N ASN A 273 0.289 -5.521 -9.827 1.00 0.00 N ATOM 485 CA ASN A 273 -0.766 -5.927 -10.768 1.00 0.00 C ATOM 486 C ASN A 273 -2.194 -5.553 -10.300 1.00 0.00 C ATOM 487 O ASN A 273 -3.166 -5.838 -11.003 1.00 0.00 O ATOM 488 CB ASN A 273 -0.623 -7.431 -11.058 1.00 0.00 C ATOM 489 CG ASN A 273 0.630 -7.720 -11.882 1.00 0.00 C ATOM 490 OD1 ASN A 273 1.672 -8.103 -11.360 1.00 0.00 O ATOM 491 ND2 ASN A 273 0.561 -7.526 -13.188 1.00 0.00 N ATOM 0 H ASN A 273 0.501 -6.242 -9.137 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.629 -5.363 -11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.578 -7.982 -10.119 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -1.503 -7.786 -11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 273 1.380 -7.695 -13.773 1.00 0.00 H new ATOM 0 HD22 ASN A 273 -0.311 -7.207 -13.611 1.00 0.00 H new ATOM 498 N ILE A 274 -2.340 -4.903 -9.138 1.00 0.00 N ATOM 499 CA ILE A 274 -3.608 -4.355 -8.616 1.00 0.00 C ATOM 500 C ILE A 274 -3.634 -2.837 -8.862 1.00 0.00 C ATOM 501 O ILE A 274 -2.591 -2.182 -8.842 1.00 0.00 O ATOM 502 CB ILE A 274 -3.776 -4.721 -7.118 1.00 0.00 C ATOM 503 CG1 ILE A 274 -3.747 -6.258 -6.931 1.00 0.00 C ATOM 504 CG2 ILE A 274 -5.085 -4.137 -6.552 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.765 -6.730 -5.474 1.00 0.00 C ATOM 0 H ILE A 274 -1.554 -4.736 -8.510 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.457 -4.795 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 274 -2.943 -4.285 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.605 -6.689 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -2.853 -6.652 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.179 -4.408 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -5.070 -3.051 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -5.933 -4.538 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.742 -7.819 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.893 -6.335 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -4.672 -6.372 -4.987 1.00 0.00 H new ATOM 517 N ASP A 275 -4.819 -2.271 -9.098 1.00 0.00 N ATOM 518 CA ASP A 275 -5.020 -0.852 -9.412 1.00 0.00 C ATOM 519 C ASP A 275 -6.075 -0.224 -8.479 1.00 0.00 C ATOM 520 O ASP A 275 -7.136 -0.825 -8.270 1.00 0.00 O ATOM 521 CB ASP A 275 -5.443 -0.737 -10.885 1.00 0.00 C ATOM 522 CG ASP A 275 -5.407 0.710 -11.391 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.305 1.489 -10.999 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.485 1.059 -12.164 1.00 0.00 O ATOM 0 H ASP A 275 -5.691 -2.800 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.091 -0.304 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -4.783 -1.350 -11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.451 -1.136 -11.003 1.00 0.00 H new ATOM 529 N PRO A 276 -5.841 0.985 -7.932 1.00 0.00 N ATOM 530 CA PRO A 276 -6.775 1.628 -7.013 1.00 0.00 C ATOM 531 C PRO A 276 -8.123 2.008 -7.650 1.00 0.00 C ATOM 532 O PRO A 276 -9.077 2.267 -6.921 1.00 0.00 O ATOM 533 CB PRO A 276 -6.024 2.828 -6.433 1.00 0.00 C ATOM 534 CG PRO A 276 -4.995 3.168 -7.505 1.00 0.00 C ATOM 535 CD PRO A 276 -4.651 1.809 -8.104 1.00 0.00 C ATOM 0 HA PRO A 276 -7.075 0.932 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.695 3.666 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.547 2.581 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.404 3.846 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.117 3.654 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.389 1.902 -9.158 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.792 1.366 -7.600 1.00 0.00 H new ATOM 543 N SER A 277 -8.253 1.968 -8.982 1.00 0.00 N ATOM 544 CA SER A 277 -9.533 2.137 -9.684 1.00 0.00 C ATOM 545 C SER A 277 -10.407 0.859 -9.690 1.00 0.00 C ATOM 546 O SER A 277 -11.556 0.920 -10.133 1.00 0.00 O ATOM 547 CB SER A 277 -9.269 2.635 -11.118 1.00 0.00 C ATOM 548 OG SER A 277 -10.428 3.209 -11.716 1.00 0.00 O ATOM 0 H SER A 277 -7.464 1.816 -9.610 1.00 0.00 H new ATOM 0 HA SER A 277 -10.109 2.881 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.468 3.374 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.922 1.803 -11.730 1.00 0.00 H new ATOM 0 HG SER A 277 -11.218 2.684 -11.469 1.00 0.00 H new ATOM 554 N VAL A 278 -9.908 -0.284 -9.185 1.00 0.00 N ATOM 555 CA VAL A 278 -10.670 -1.553 -9.051 1.00 0.00 C ATOM 556 C VAL A 278 -10.770 -2.049 -7.592 1.00 0.00 C ATOM 557 O VAL A 278 -10.961 -3.242 -7.348 1.00 0.00 O ATOM 558 CB VAL A 278 -10.186 -2.664 -10.023 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.286 -2.207 -11.490 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.760 -3.172 -9.750 1.00 0.00 C ATOM 0 H VAL A 278 -8.947 -0.360 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.687 -1.309 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.861 -3.500 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.940 -3.007 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.323 -1.967 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.666 -1.323 -11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.504 -3.945 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.056 -2.345 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.708 -3.587 -8.743 1.00 0.00 H new ATOM 570 N LEU A 279 -10.659 -1.136 -6.615 1.00 0.00 N ATOM 571 CA LEU A 279 -10.748 -1.431 -5.175 1.00 0.00 C ATOM 572 C LEU A 279 -11.998 -0.800 -4.518 1.00 0.00 C ATOM 573 O LEU A 279 -12.496 0.221 -5.008 1.00 0.00 O ATOM 574 CB LEU A 279 -9.441 -0.990 -4.485 1.00 0.00 C ATOM 575 CG LEU A 279 -8.224 -1.853 -4.875 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.948 -1.245 -4.291 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.361 -3.291 -4.340 1.00 0.00 C ATOM 0 H LEU A 279 -10.501 -0.147 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.868 -2.507 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.237 0.050 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.577 -1.033 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.175 -1.879 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.092 -1.859 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.814 -0.236 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.028 -1.206 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.487 -3.873 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.435 -3.269 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.258 -3.750 -4.756 1.00 0.00 H new ATOM 589 N PRO A 280 -12.517 -1.412 -3.431 1.00 0.00 N ATOM 590 CA PRO A 280 -13.782 -1.043 -2.798 1.00 0.00 C ATOM 591 C PRO A 280 -13.678 0.260 -1.998 1.00 0.00 C ATOM 592 O PRO A 280 -12.635 0.579 -1.431 1.00 0.00 O ATOM 593 CB PRO A 280 -14.145 -2.227 -1.892 1.00 0.00 C ATOM 594 CG PRO A 280 -12.799 -2.857 -1.547 1.00 0.00 C ATOM 595 CD PRO A 280 -11.973 -2.607 -2.799 1.00 0.00 C ATOM 0 HA PRO A 280 -14.550 -0.851 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.672 -1.897 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.797 -2.935 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.350 -2.394 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.895 -3.921 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.922 -2.466 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.027 -3.461 -3.475 1.00 0.00 H new ATOM 603 N ASP A 281 -14.796 0.989 -1.905 1.00 0.00 N ATOM 604 CA ASP A 281 -14.910 2.246 -1.146 1.00 0.00 C ATOM 605 C ASP A 281 -14.888 2.053 0.384 1.00 0.00 C ATOM 606 O ASP A 281 -14.754 3.023 1.129 1.00 0.00 O ATOM 607 CB ASP A 281 -16.190 2.984 -1.570 1.00 0.00 C ATOM 608 CG ASP A 281 -16.132 3.472 -3.026 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.449 4.492 -3.286 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.785 2.850 -3.897 1.00 0.00 O ATOM 0 H ASP A 281 -15.666 0.719 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 281 -14.028 2.840 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -17.046 2.321 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.349 3.837 -0.910 1.00 0.00 H new ATOM 615 N ASN A 282 -14.964 0.804 0.850 1.00 0.00 N ATOM 616 CA ASN A 282 -14.930 0.394 2.259 1.00 0.00 C ATOM 617 C ASN A 282 -13.773 -0.596 2.526 1.00 0.00 C ATOM 618 O ASN A 282 -13.881 -1.488 3.371 1.00 0.00 O ATOM 619 CB ASN A 282 -16.308 -0.175 2.645 1.00 0.00 C ATOM 620 CG ASN A 282 -17.421 0.864 2.528 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.450 1.857 3.246 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.375 0.662 1.634 1.00 0.00 N ATOM 0 H ASN A 282 -15.056 0.006 0.221 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.730 1.258 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.540 -1.025 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.270 -0.549 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.137 1.333 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.348 -0.165 1.038 1.00 0.00 H new ATOM 629 N TRP A 283 -12.669 -0.464 1.777 1.00 0.00 N ATOM 630 CA TRP A 283 -11.432 -1.218 1.994 1.00 0.00 C ATOM 631 C TRP A 283 -10.888 -1.033 3.425 1.00 0.00 C ATOM 632 O TRP A 283 -10.840 0.081 3.942 1.00 0.00 O ATOM 633 CB TRP A 283 -10.382 -0.795 0.957 1.00 0.00 C ATOM 634 CG TRP A 283 -9.193 -1.696 0.952 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.020 -2.764 0.143 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.060 -1.695 1.873 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.882 -3.450 0.524 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.270 -2.851 1.605 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.651 -0.864 2.943 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.147 -3.172 2.376 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.529 -1.182 3.724 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.788 -2.340 3.445 1.00 0.00 C ATOM 0 H TRP A 283 -12.613 0.182 0.990 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.656 -2.278 1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.835 -0.791 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.060 0.226 1.165 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.670 -3.039 -0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.538 -4.293 0.064 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.213 0.032 3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.563 -4.052 2.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.237 -0.536 4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.935 -2.592 4.058 1.00 0.00 H new ATOM 653 N SER A 284 -10.428 -2.111 4.050 1.00 0.00 N ATOM 654 CA SER A 284 -9.873 -2.140 5.410 1.00 0.00 C ATOM 655 C SER A 284 -8.697 -3.122 5.489 1.00 0.00 C ATOM 656 O SER A 284 -8.495 -3.912 4.564 1.00 0.00 O ATOM 657 CB SER A 284 -10.964 -2.539 6.416 1.00 0.00 C ATOM 658 OG SER A 284 -11.461 -3.853 6.171 1.00 0.00 O ATOM 0 H SER A 284 -10.429 -3.031 3.609 1.00 0.00 H new ATOM 0 HA SER A 284 -9.509 -1.143 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.561 -2.486 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.786 -1.825 6.362 1.00 0.00 H new ATOM 0 HG SER A 284 -12.151 -4.070 6.832 1.00 0.00 H new ATOM 664 N CYS A 285 -7.942 -3.120 6.594 1.00 0.00 N ATOM 665 CA CYS A 285 -6.821 -4.047 6.805 1.00 0.00 C ATOM 666 C CYS A 285 -7.208 -5.532 6.568 1.00 0.00 C ATOM 667 O CYS A 285 -6.391 -6.322 6.100 1.00 0.00 O ATOM 668 CB CYS A 285 -6.262 -3.898 8.230 1.00 0.00 C ATOM 669 SG CYS A 285 -5.723 -2.213 8.631 1.00 0.00 S ATOM 0 H CYS A 285 -8.091 -2.474 7.370 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.063 -3.780 6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.026 -4.205 8.944 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.419 -4.578 8.353 1.00 0.00 H new ATOM 674 N ASP A 286 -8.463 -5.910 6.843 1.00 0.00 N ATOM 675 CA ASP A 286 -9.023 -7.253 6.607 1.00 0.00 C ATOM 676 C ASP A 286 -9.102 -7.641 5.112 1.00 0.00 C ATOM 677 O ASP A 286 -9.252 -8.816 4.776 1.00 0.00 O ATOM 678 CB ASP A 286 -10.409 -7.313 7.269 1.00 0.00 C ATOM 679 CG ASP A 286 -11.030 -8.719 7.250 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.513 -9.615 7.960 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.059 -8.914 6.559 1.00 0.00 O ATOM 0 H ASP A 286 -9.143 -5.268 7.251 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.348 -7.985 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.326 -6.974 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.078 -6.620 6.759 1.00 0.00 H new ATOM 686 N GLN A 287 -8.966 -6.664 4.211 1.00 0.00 N ATOM 687 CA GLN A 287 -9.024 -6.799 2.755 1.00 0.00 C ATOM 688 C GLN A 287 -7.622 -6.693 2.108 1.00 0.00 C ATOM 689 O GLN A 287 -7.504 -6.547 0.889 1.00 0.00 O ATOM 690 CB GLN A 287 -10.023 -5.750 2.222 1.00 0.00 C ATOM 691 CG GLN A 287 -11.466 -6.067 2.653 1.00 0.00 C ATOM 692 CD GLN A 287 -12.411 -4.884 2.461 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.901 -4.610 1.374 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.697 -4.130 3.502 1.00 0.00 N ATOM 0 H GLN A 287 -8.802 -5.699 4.498 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.377 -7.793 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.743 -4.762 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.968 -5.715 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.834 -6.918 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.471 -6.364 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.296 -4.347 4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.320 -3.329 3.396 1.00 0.00 H new ATOM 703 N ASN A 288 -6.550 -6.781 2.907 1.00 0.00 N ATOM 704 CA ASN A 288 -5.161 -6.785 2.435 1.00 0.00 C ATOM 705 C ASN A 288 -4.745 -8.109 1.766 1.00 0.00 C ATOM 706 O ASN A 288 -5.286 -9.177 2.075 1.00 0.00 O ATOM 707 CB ASN A 288 -4.217 -6.457 3.605 1.00 0.00 C ATOM 708 CG ASN A 288 -2.869 -5.935 3.122 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.796 -5.079 2.254 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.766 -6.459 3.622 1.00 0.00 N ATOM 0 H ASN A 288 -6.627 -6.853 3.922 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.086 -6.019 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.684 -5.713 4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.064 -7.351 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.855 -6.149 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.824 -7.174 4.347 1.00 0.00 H new ATOM 717 N THR A 289 -3.737 -8.040 0.885 1.00 0.00 N ATOM 718 CA THR A 289 -3.167 -9.195 0.171 1.00 0.00 C ATOM 719 C THR A 289 -2.006 -9.846 0.913 1.00 0.00 C ATOM 720 O THR A 289 -1.726 -11.020 0.677 1.00 0.00 O ATOM 721 CB THR A 289 -2.719 -8.789 -1.235 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.869 -7.662 -1.147 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.913 -8.427 -2.116 1.00 0.00 C ATOM 0 H THR A 289 -3.284 -7.159 0.642 1.00 0.00 H new ATOM 0 HA THR A 289 -3.963 -9.937 0.108 1.00 0.00 H new ATOM 0 HB THR A 289 -2.197 -9.636 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.579 -7.400 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.561 -8.143 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.578 -9.287 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.454 -7.592 -1.671 1.00 0.00 H new ATOM 731 N ASP A 290 -1.356 -9.124 1.831 1.00 0.00 N ATOM 732 CA ASP A 290 -0.227 -9.619 2.622 1.00 0.00 C ATOM 733 C ASP A 290 -0.670 -10.001 4.043 1.00 0.00 C ATOM 734 O ASP A 290 -1.110 -9.148 4.818 1.00 0.00 O ATOM 735 CB ASP A 290 0.917 -8.584 2.649 1.00 0.00 C ATOM 736 CG ASP A 290 2.281 -9.223 2.323 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.521 -10.374 2.752 1.00 0.00 O ATOM 738 OD2 ASP A 290 3.109 -8.570 1.644 1.00 0.00 O ATOM 0 H ASP A 290 -1.606 -8.159 2.049 1.00 0.00 H new ATOM 0 HA ASP A 290 0.151 -10.523 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.707 -7.792 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.961 -8.118 3.633 1.00 0.00 H new ATOM 743 N VAL A 291 -0.528 -11.283 4.388 1.00 0.00 N ATOM 744 CA VAL A 291 -1.006 -11.874 5.661 1.00 0.00 C ATOM 745 C VAL A 291 -0.278 -11.341 6.901 1.00 0.00 C ATOM 746 O VAL A 291 -0.773 -11.462 8.020 1.00 0.00 O ATOM 747 CB VAL A 291 -0.913 -13.419 5.661 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.755 -14.012 4.524 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.540 -13.921 5.553 1.00 0.00 C ATOM 0 H VAL A 291 -0.068 -11.963 3.783 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.050 -11.567 5.722 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.307 -13.757 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.676 -15.099 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.798 -13.722 4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.390 -13.637 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.550 -15.011 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.982 -13.558 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.117 -13.550 6.400 1.00 0.00 H new ATOM 759 N GLN A 292 0.890 -10.731 6.696 1.00 0.00 N ATOM 760 CA GLN A 292 1.687 -10.079 7.734 1.00 0.00 C ATOM 761 C GLN A 292 1.069 -8.767 8.231 1.00 0.00 C ATOM 762 O GLN A 292 1.432 -8.311 9.312 1.00 0.00 O ATOM 763 CB GLN A 292 3.138 -9.890 7.259 1.00 0.00 C ATOM 764 CG GLN A 292 3.313 -9.611 5.762 1.00 0.00 C ATOM 765 CD GLN A 292 4.720 -9.137 5.396 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.931 -8.017 4.955 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.740 -9.957 5.558 1.00 0.00 N ATOM 0 H GLN A 292 1.321 -10.676 5.773 1.00 0.00 H new ATOM 0 HA GLN A 292 1.693 -10.742 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.580 -9.065 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.704 -10.786 7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.085 -10.518 5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.591 -8.855 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.586 -10.896 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.683 -9.652 5.317 1.00 0.00 H new ATOM 776 N TYR A 293 0.113 -8.191 7.489 1.00 0.00 N ATOM 777 CA TYR A 293 -0.581 -6.941 7.843 1.00 0.00 C ATOM 778 C TYR A 293 -2.084 -6.962 7.493 1.00 0.00 C ATOM 779 O TYR A 293 -2.697 -5.923 7.255 1.00 0.00 O ATOM 780 CB TYR A 293 0.158 -5.740 7.229 1.00 0.00 C ATOM 781 CG TYR A 293 1.582 -5.554 7.719 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.824 -4.768 8.860 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.658 -6.184 7.067 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.133 -4.593 9.342 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.969 -6.029 7.553 1.00 0.00 C ATOM 786 CZ TYR A 293 4.214 -5.224 8.689 1.00 0.00 C ATOM 787 OH TYR A 293 5.483 -5.054 9.156 1.00 0.00 O ATOM 0 H TYR A 293 -0.208 -8.589 6.606 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.553 -6.839 8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.173 -5.855 6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.408 -4.834 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.998 -4.295 9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.477 -6.789 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.311 -3.977 10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.790 -6.526 7.057 1.00 0.00 H new ATOM 0 HH TYR A 293 6.109 -5.557 8.594 1.00 0.00 H new ATOM 797 N ASN A 294 -2.695 -8.153 7.473 1.00 0.00 N ATOM 798 CA ASN A 294 -4.098 -8.361 7.084 1.00 0.00 C ATOM 799 C ASN A 294 -5.121 -8.177 8.231 1.00 0.00 C ATOM 800 O ASN A 294 -6.239 -8.693 8.160 1.00 0.00 O ATOM 801 CB ASN A 294 -4.250 -9.704 6.349 1.00 0.00 C ATOM 802 CG ASN A 294 -4.235 -10.932 7.262 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.848 -10.885 8.425 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.667 -12.075 6.757 1.00 0.00 N ATOM 0 H ASN A 294 -2.219 -9.017 7.732 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.353 -7.558 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.186 -9.694 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.445 -9.798 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.678 -12.916 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.989 -12.116 5.790 1.00 0.00 H new ATOM 811 N ARG A 295 -4.735 -7.470 9.303 1.00 0.00 N ATOM 812 CA ARG A 295 -5.559 -7.196 10.486 1.00 0.00 C ATOM 813 C ARG A 295 -5.338 -5.788 11.031 1.00 0.00 C ATOM 814 O ARG A 295 -4.203 -5.338 11.180 1.00 0.00 O ATOM 815 CB ARG A 295 -5.220 -8.201 11.597 1.00 0.00 C ATOM 816 CG ARG A 295 -6.096 -9.456 11.550 1.00 0.00 C ATOM 817 CD ARG A 295 -5.644 -10.421 12.647 1.00 0.00 C ATOM 818 NE ARG A 295 -6.565 -11.563 12.775 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.491 -12.535 13.679 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.540 -12.575 14.590 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.388 -13.496 13.678 1.00 0.00 N ATOM 0 H ARG A 295 -3.804 -7.058 9.371 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.600 -7.288 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.173 -8.491 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.338 -7.717 12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.143 -9.189 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.018 -9.933 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.641 -10.784 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.586 -9.891 13.598 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.333 -11.613 12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.829 -11.844 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.515 -13.337 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.137 -13.494 12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.335 -14.244 14.370 1.00 0.00 H new ATOM 835 N CYS A 296 -6.430 -5.156 11.449 1.00 0.00 N ATOM 836 CA CYS A 296 -6.471 -3.845 12.096 1.00 0.00 C ATOM 837 C CYS A 296 -5.730 -3.754 13.447 1.00 0.00 C ATOM 838 O CYS A 296 -5.415 -2.658 13.917 1.00 0.00 O ATOM 839 CB CYS A 296 -7.953 -3.518 12.284 1.00 0.00 C ATOM 840 SG CYS A 296 -8.605 -2.714 10.797 1.00 0.00 S ATOM 0 H CYS A 296 -7.359 -5.564 11.341 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.944 -3.133 11.461 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.512 -4.431 12.488 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.083 -2.865 13.147 1.00 0.00 H new ATOM 845 N ASP A 297 -5.421 -4.899 14.057 1.00 0.00 N ATOM 846 CA ASP A 297 -4.713 -5.009 15.333 1.00 0.00 C ATOM 847 C ASP A 297 -3.190 -5.106 15.120 1.00 0.00 C ATOM 848 O ASP A 297 -2.419 -5.180 16.077 1.00 0.00 O ATOM 849 CB ASP A 297 -5.308 -6.209 16.079 1.00 0.00 C ATOM 850 CG ASP A 297 -4.829 -6.322 17.538 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.085 -5.383 18.329 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.240 -7.370 17.899 1.00 0.00 O ATOM 0 H ASP A 297 -5.665 -5.807 13.662 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.848 -4.114 15.941 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.395 -6.132 16.066 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.047 -7.124 15.547 1.00 0.00 H new ATOM 857 N ILE A 298 -2.752 -5.072 13.854 1.00 0.00 N ATOM 858 CA ILE A 298 -1.347 -5.097 13.449 1.00 0.00 C ATOM 859 C ILE A 298 -0.889 -3.665 13.136 1.00 0.00 C ATOM 860 O ILE A 298 -1.573 -2.973 12.368 1.00 0.00 O ATOM 861 CB ILE A 298 -1.117 -6.031 12.239 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.661 -7.437 12.561 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.379 -6.087 11.901 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.450 -8.481 11.457 1.00 0.00 C ATOM 0 H ILE A 298 -3.390 -5.025 13.060 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.752 -5.497 14.270 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.650 -5.643 11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.185 -7.794 13.474 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.728 -7.359 12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.535 -6.747 11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.734 -5.086 11.656 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.932 -6.468 12.760 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.866 -9.437 11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -1.951 -8.153 10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.383 -8.596 11.264 1.00 0.00 H new ATOM 876 N PRO A 299 0.262 -3.228 13.677 1.00 0.00 N ATOM 877 CA PRO A 299 0.802 -1.886 13.489 1.00 0.00 C ATOM 878 C PRO A 299 1.136 -1.590 12.023 1.00 0.00 C ATOM 879 O PRO A 299 1.329 -2.499 11.220 1.00 0.00 O ATOM 880 CB PRO A 299 2.047 -1.832 14.379 1.00 0.00 C ATOM 881 CG PRO A 299 2.487 -3.284 14.522 1.00 0.00 C ATOM 882 CD PRO A 299 1.164 -4.037 14.486 1.00 0.00 C ATOM 0 HA PRO A 299 0.073 -1.123 13.761 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.830 -1.224 13.927 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.821 -1.390 15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.149 -3.589 13.711 1.00 0.00 H new ATOM 0 HG3 PRO A 299 3.025 -3.455 15.454 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.292 -5.029 14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.767 -4.176 15.492 1.00 0.00 H new ATOM 890 N GLU A 300 1.200 -0.305 11.670 1.00 0.00 N ATOM 891 CA GLU A 300 1.538 0.168 10.333 1.00 0.00 C ATOM 892 C GLU A 300 3.003 -0.173 9.972 1.00 0.00 C ATOM 893 O GLU A 300 3.909 0.011 10.790 1.00 0.00 O ATOM 894 CB GLU A 300 1.278 1.684 10.291 1.00 0.00 C ATOM 895 CG GLU A 300 0.865 2.102 8.885 1.00 0.00 C ATOM 896 CD GLU A 300 0.877 3.622 8.677 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.909 4.280 8.945 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.158 4.155 8.217 1.00 0.00 O ATOM 0 H GLU A 300 1.013 0.453 12.326 1.00 0.00 H new ATOM 0 HA GLU A 300 0.918 -0.332 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.495 1.947 11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.176 2.224 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.537 1.638 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.136 1.722 8.679 1.00 0.00 H new ATOM 905 N GLU A 301 3.247 -0.677 8.755 1.00 0.00 N ATOM 906 CA GLU A 301 4.586 -1.086 8.306 1.00 0.00 C ATOM 907 C GLU A 301 5.509 0.124 8.080 1.00 0.00 C ATOM 908 O GLU A 301 5.112 1.131 7.484 1.00 0.00 O ATOM 909 CB GLU A 301 4.492 -1.950 7.037 1.00 0.00 C ATOM 910 CG GLU A 301 5.860 -2.486 6.584 1.00 0.00 C ATOM 911 CD GLU A 301 5.746 -3.594 5.524 1.00 0.00 C ATOM 912 OE1 GLU A 301 4.969 -3.440 4.554 1.00 0.00 O ATOM 913 OE2 GLU A 301 6.464 -4.615 5.638 1.00 0.00 O ATOM 0 H GLU A 301 2.520 -0.813 8.052 1.00 0.00 H new ATOM 0 HA GLU A 301 5.029 -1.686 9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.820 -2.788 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 301 4.052 -1.361 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.452 -1.664 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.398 -2.872 7.450 1.00 0.00 H new ATOM 920 N THR A 302 6.763 -0.009 8.530 1.00 0.00 N ATOM 921 CA THR A 302 7.834 0.980 8.334 1.00 0.00 C ATOM 922 C THR A 302 8.375 0.861 6.913 1.00 0.00 C ATOM 923 O THR A 302 8.971 -0.155 6.557 1.00 0.00 O ATOM 924 CB THR A 302 8.952 0.792 9.370 1.00 0.00 C ATOM 925 OG1 THR A 302 8.385 0.867 10.662 1.00 0.00 O ATOM 926 CG2 THR A 302 10.021 1.883 9.261 1.00 0.00 C ATOM 0 H THR A 302 7.070 -0.828 9.054 1.00 0.00 H new ATOM 0 HA THR A 302 7.427 1.981 8.476 1.00 0.00 H new ATOM 0 HB THR A 302 9.421 -0.175 9.186 1.00 0.00 H new ATOM 0 HG1 THR A 302 9.087 0.747 11.335 1.00 0.00 H new ATOM 0 HG21 THR A 302 10.793 1.712 10.012 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.469 1.856 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.564 2.858 9.426 1.00 0.00 H new ATOM 934 N TRP A 303 8.184 1.914 6.117 1.00 0.00 N ATOM 935 CA TRP A 303 8.563 1.994 4.696 1.00 0.00 C ATOM 936 C TRP A 303 9.653 3.052 4.420 1.00 0.00 C ATOM 937 O TRP A 303 9.913 3.415 3.269 1.00 0.00 O ATOM 938 CB TRP A 303 7.285 2.227 3.871 1.00 0.00 C ATOM 939 CG TRP A 303 6.613 3.557 4.062 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.845 3.904 5.119 1.00 0.00 C ATOM 941 CD2 TRP A 303 6.633 4.732 3.188 1.00 0.00 C ATOM 942 NE1 TRP A 303 5.429 5.214 4.988 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.891 5.777 3.817 1.00 0.00 C ATOM 944 CE3 TRP A 303 7.207 5.026 1.930 1.00 0.00 C ATOM 945 CZ2 TRP A 303 5.742 7.049 3.242 1.00 0.00 C ATOM 946 CZ3 TRP A 303 7.050 6.293 1.335 1.00 0.00 C ATOM 947 CH2 TRP A 303 6.324 7.305 1.988 1.00 0.00 C ATOM 0 H TRP A 303 7.744 2.771 6.453 1.00 0.00 H new ATOM 0 HA TRP A 303 9.022 1.052 4.395 1.00 0.00 H new ATOM 0 HB2 TRP A 303 7.532 2.115 2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 303 6.570 1.442 4.116 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.594 3.253 5.944 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.852 5.704 5.672 1.00 0.00 H new ATOM 0 HE3 TRP A 303 7.776 4.266 1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 5.188 7.820 3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 7.491 6.489 0.369 1.00 0.00 H new ATOM 0 HH2 TRP A 303 6.214 8.276 1.528 1.00 0.00 H new ATOM 958 N THR A 304 10.277 3.559 5.491 1.00 0.00 N ATOM 959 CA THR A 304 11.274 4.640 5.499 1.00 0.00 C ATOM 960 C THR A 304 12.616 4.111 4.996 1.00 0.00 C ATOM 961 O THR A 304 13.406 3.563 5.765 1.00 0.00 O ATOM 962 CB THR A 304 11.385 5.232 6.914 1.00 0.00 C ATOM 963 OG1 THR A 304 10.094 5.540 7.397 1.00 0.00 O ATOM 964 CG2 THR A 304 12.224 6.511 6.948 1.00 0.00 C ATOM 0 H THR A 304 10.090 3.206 6.430 1.00 0.00 H new ATOM 0 HA THR A 304 10.961 5.439 4.827 1.00 0.00 H new ATOM 0 HB THR A 304 11.875 4.483 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 304 10.163 5.916 8.299 1.00 0.00 H new ATOM 0 HG21 THR A 304 12.271 6.888 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 304 13.232 6.294 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 304 11.767 7.263 6.304 1.00 0.00 H new ATOM 972 N GLY A 305 12.855 4.233 3.686 1.00 0.00 N ATOM 973 CA GLY A 305 14.066 3.775 2.985 1.00 0.00 C ATOM 974 C GLY A 305 14.113 2.259 2.748 1.00 0.00 C ATOM 975 O GLY A 305 14.422 1.817 1.640 1.00 0.00 O ATOM 0 H GLY A 305 12.183 4.672 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 305 14.132 4.285 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 305 14.942 4.070 3.563 1.00 0.00 H new ATOM 979 N LEU A 306 13.802 1.472 3.781 1.00 0.00 N ATOM 980 CA LEU A 306 13.774 0.005 3.769 1.00 0.00 C ATOM 981 C LEU A 306 12.497 -0.534 3.094 1.00 0.00 C ATOM 982 O LEU A 306 11.469 0.147 3.031 1.00 0.00 O ATOM 983 CB LEU A 306 13.900 -0.527 5.215 1.00 0.00 C ATOM 984 CG LEU A 306 15.328 -0.540 5.805 1.00 0.00 C ATOM 985 CD1 LEU A 306 15.925 0.858 6.028 1.00 0.00 C ATOM 986 CD2 LEU A 306 15.308 -1.289 7.146 1.00 0.00 C ATOM 0 H LEU A 306 13.551 1.857 4.692 1.00 0.00 H new ATOM 0 HA LEU A 306 14.620 -0.351 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 306 13.266 0.079 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 306 13.506 -1.543 5.244 1.00 0.00 H new ATOM 0 HG LEU A 306 15.961 -1.037 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 306 16.928 0.763 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 306 15.975 1.388 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 306 15.296 1.416 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 306 16.312 -1.303 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 306 14.631 -0.784 7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 306 14.967 -2.312 6.986 1.00 0.00 H new ATOM 998 N GLU A 307 12.569 -1.779 2.607 1.00 0.00 N ATOM 999 CA GLU A 307 11.435 -2.529 2.027 1.00 0.00 C ATOM 1000 C GLU A 307 10.342 -2.917 3.047 1.00 0.00 C ATOM 1001 O GLU A 307 9.155 -2.921 2.648 1.00 0.00 O ATOM 1002 CB GLU A 307 11.945 -3.759 1.247 1.00 0.00 C ATOM 1003 CG GLU A 307 12.648 -4.830 2.100 1.00 0.00 C ATOM 1004 CD GLU A 307 13.190 -5.980 1.219 1.00 0.00 C ATOM 1005 OE1 GLU A 307 12.431 -6.932 0.910 1.00 0.00 O ATOM 1006 OE2 GLU A 307 14.388 -5.953 0.838 1.00 0.00 O ATOM 1007 OXT GLU A 307 10.666 -3.222 4.220 1.00 0.00 O ATOM 0 H GLU A 307 13.439 -2.312 2.603 1.00 0.00 H new ATOM 0 HA GLU A 307 10.942 -1.846 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 307 11.100 -4.221 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 307 12.637 -3.419 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 307 13.469 -4.376 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 307 11.949 -5.230 2.835 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.693 4.987 0.849 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.347 4.389 1.037 1.00 0.00 C ATOM 1017 C ALA B 1 -10.294 5.233 0.312 1.00 0.00 C ATOM 1018 O ALA B 1 -10.365 5.384 -0.910 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.300 2.924 0.554 1.00 0.00 C ATOM 0 H1 ALA B 1 -13.418 4.249 0.951 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.848 5.726 1.565 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.757 5.406 -0.101 1.00 0.00 H new ATOM 0 HA ALA B 1 -11.126 4.384 2.104 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.299 2.522 0.708 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -12.020 2.331 1.119 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.548 2.882 -0.507 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.326 5.799 1.045 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.196 6.536 0.451 1.00 0.00 C ATOM 1029 C ARG B 2 -7.197 5.585 -0.216 1.00 0.00 C ATOM 1030 O ARG B 2 -6.989 4.451 0.228 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.471 7.387 1.507 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.822 8.880 1.487 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.162 9.620 0.316 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.320 11.081 0.441 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.390 11.807 0.129 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -9.487 11.273 -0.368 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.369 13.108 0.321 1.00 0.00 N ATOM 0 H ARG B 2 -9.301 5.761 2.064 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.611 7.196 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.702 6.988 2.495 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.396 7.280 1.363 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.904 8.995 1.423 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.508 9.337 2.425 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.102 9.370 0.277 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.603 9.284 -0.623 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.518 11.593 0.808 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -9.538 10.267 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -10.286 11.866 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.536 13.553 0.707 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -9.185 13.672 0.084 1.00 0.00 H new ATOM 1051 N THR B 3 -6.543 6.109 -1.249 1.00 0.00 N ATOM 1052 CA THR B 3 -5.575 5.437 -2.123 1.00 0.00 C ATOM 1053 C THR B 3 -4.464 6.405 -2.501 1.00 0.00 C ATOM 1054 O THR B 3 -4.680 7.613 -2.619 1.00 0.00 O ATOM 1055 CB THR B 3 -6.246 4.902 -3.399 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.118 5.874 -3.939 1.00 0.00 O ATOM 1057 CG2 THR B 3 -7.044 3.630 -3.124 1.00 0.00 C ATOM 0 H THR B 3 -6.683 7.082 -1.520 1.00 0.00 H new ATOM 0 HA THR B 3 -5.160 4.591 -1.576 1.00 0.00 H new ATOM 0 HB THR B 3 -5.451 4.673 -4.109 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.537 5.522 -4.752 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.504 3.282 -4.049 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.378 2.859 -2.737 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.821 3.840 -2.389 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.272 5.846 -2.701 1.00 0.00 N HETATM 1066 CA M3L B 4 -2.082 6.528 -3.234 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.351 7.297 -2.103 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.536 6.375 -1.182 1.00 0.00 C HETATM 1069 CD M3L B 4 0.203 7.108 -0.060 1.00 0.00 C HETATM 1070 CE M3L B 4 1.177 6.101 0.595 1.00 0.00 C HETATM 1071 NZ M3L B 4 1.925 6.596 1.764 1.00 0.00 N HETATM 1072 C M3L B 4 -1.149 5.558 -3.975 1.00 0.00 C HETATM 1073 O M3L B 4 -1.365 4.345 -3.988 1.00 0.00 O HETATM 1074 CM1 M3L B 4 2.778 5.506 2.225 1.00 0.00 C HETATM 1075 CM2 M3L B 4 1.039 6.961 2.867 1.00 0.00 C HETATM 1076 CM3 M3L B 4 2.779 7.732 1.424 1.00 0.00 C HETATM 0 HM33 M3L B 4 3.498 7.432 0.662 1.00 0.00 H new HETATM 0 HM32 M3L B 4 2.165 8.547 1.042 1.00 0.00 H new HETATM 0 HM31 M3L B 4 3.312 8.066 2.314 1.00 0.00 H new HETATM 0 HM23 M3L B 4 0.358 7.747 2.542 1.00 0.00 H new HETATM 0 HM22 M3L B 4 0.464 6.088 3.176 1.00 0.00 H new HETATM 0 HM21 M3L B 4 1.633 7.320 3.707 1.00 0.00 H new HETATM 0 HM13 M3L B 4 2.160 4.651 2.500 1.00 0.00 H new HETATM 0 HM12 M3L B 4 3.462 5.217 1.427 1.00 0.00 H new HETATM 0 HM11 M3L B 4 3.350 5.834 3.093 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.205 5.637 -0.740 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.190 5.828 -1.784 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.610 5.221 0.897 1.00 0.00 H new HETATM 0 HE2 M3L B 4 1.893 5.775 -0.159 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.748 7.965 -0.456 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.503 7.492 0.676 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.687 8.039 -2.546 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -2.084 7.841 -1.508 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.410 7.257 -3.975 1.00 0.00 H new ATOM 1096 N GLN B 5 -0.069 6.104 -4.523 1.00 0.00 N ATOM 1097 CA GLN B 5 1.057 5.355 -5.076 1.00 0.00 C ATOM 1098 C GLN B 5 2.363 6.046 -4.664 1.00 0.00 C ATOM 1099 O GLN B 5 2.418 7.280 -4.597 1.00 0.00 O ATOM 1100 CB GLN B 5 0.960 5.255 -6.610 1.00 0.00 C ATOM 1101 CG GLN B 5 -0.298 4.517 -7.099 1.00 0.00 C ATOM 1102 CD GLN B 5 -0.277 4.248 -8.608 1.00 0.00 C ATOM 1103 OE1 GLN B 5 0.680 3.731 -9.169 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -1.328 4.587 -9.329 1.00 0.00 N ATOM 0 H GLN B 5 0.052 7.114 -4.598 1.00 0.00 H new ATOM 0 HA GLN B 5 1.037 4.339 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN B 5 0.970 6.260 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.843 4.741 -6.989 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.389 3.570 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -1.180 5.108 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -2.136 5.019 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -1.333 4.417 -10.335 1.00 0.00 H new ATOM 1113 N THR B 6 3.412 5.257 -4.401 1.00 0.00 N ATOM 1114 CA THR B 6 4.763 5.734 -4.071 1.00 0.00 C ATOM 1115 C THR B 6 5.770 5.190 -5.081 1.00 0.00 C ATOM 1116 O THR B 6 5.508 4.201 -5.769 1.00 0.00 O ATOM 1117 CB THR B 6 5.163 5.379 -2.626 1.00 0.00 C ATOM 1118 OG1 THR B 6 5.294 3.983 -2.464 1.00 0.00 O ATOM 1119 CG2 THR B 6 4.153 5.882 -1.595 1.00 0.00 C ATOM 0 H THR B 6 3.343 4.239 -4.412 1.00 0.00 H new ATOM 0 HA THR B 6 4.763 6.822 -4.133 1.00 0.00 H new ATOM 0 HB THR B 6 6.118 5.875 -2.455 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.841 3.795 -1.673 1.00 0.00 H new ATOM 0 HG21 THR B 6 4.485 5.604 -0.595 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.074 6.967 -1.663 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.179 5.434 -1.791 1.00 0.00 H new ATOM 1127 N ALA B 7 6.932 5.835 -5.176 1.00 0.00 N ATOM 1128 CA ALA B 7 8.084 5.335 -5.929 1.00 0.00 C ATOM 1129 C ALA B 7 9.036 4.599 -4.971 1.00 0.00 C ATOM 1130 O ALA B 7 9.434 5.155 -3.940 1.00 0.00 O ATOM 1131 CB ALA B 7 8.762 6.514 -6.639 1.00 0.00 C ATOM 0 H ALA B 7 7.103 6.734 -4.725 1.00 0.00 H new ATOM 0 HA ALA B 7 7.774 4.621 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.622 6.153 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA B 7 8.053 6.985 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.093 7.242 -5.899 1.00 0.00 H new ATOM 1137 N ARG B 8 9.392 3.351 -5.293 1.00 0.00 N ATOM 1138 CA ARG B 8 10.256 2.519 -4.446 1.00 0.00 C ATOM 1139 C ARG B 8 11.689 3.064 -4.373 1.00 0.00 C ATOM 1140 O ARG B 8 12.280 3.447 -5.385 1.00 0.00 O ATOM 1141 CB ARG B 8 10.272 1.066 -4.942 1.00 0.00 C ATOM 1142 CG ARG B 8 8.999 0.297 -4.549 1.00 0.00 C ATOM 1143 CD ARG B 8 9.102 -1.197 -4.893 1.00 0.00 C ATOM 1144 NE ARG B 8 10.243 -1.832 -4.205 1.00 0.00 N ATOM 1145 CZ ARG B 8 10.792 -3.007 -4.475 1.00 0.00 C ATOM 1146 NH1 ARG B 8 10.281 -3.838 -5.361 1.00 0.00 N ATOM 1147 NH2 ARG B 8 11.886 -3.353 -3.835 1.00 0.00 N ATOM 0 H ARG B 8 9.089 2.888 -6.150 1.00 0.00 H new ATOM 0 HA ARG B 8 9.836 2.548 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.378 1.057 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG B 8 11.143 0.555 -4.532 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.821 0.412 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG B 8 8.141 0.729 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.178 -1.701 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.213 -1.317 -5.971 1.00 0.00 H new ATOM 0 HE ARG B 8 10.656 -1.307 -3.434 1.00 0.00 H new ATOM 0 HH11 ARG B 8 9.432 -3.585 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG B 8 10.734 -4.734 -5.540 1.00 0.00 H new ATOM 0 HH21 ARG B 8 12.295 -2.722 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG B 8 12.326 -4.253 -4.027 1.00 0.00 H new ATOM 1161 N LYS B 9 12.253 3.040 -3.163 1.00 0.00 N ATOM 1162 CA LYS B 9 13.641 3.432 -2.855 1.00 0.00 C ATOM 1163 C LYS B 9 14.500 2.253 -2.330 1.00 0.00 C ATOM 1164 O LYS B 9 15.714 2.392 -2.149 1.00 0.00 O ATOM 1165 CB LYS B 9 13.568 4.625 -1.878 1.00 0.00 C ATOM 1166 CG LYS B 9 14.853 5.470 -1.843 1.00 0.00 C ATOM 1167 CD LYS B 9 14.657 6.725 -0.981 1.00 0.00 C ATOM 1168 CE LYS B 9 15.927 7.586 -1.014 1.00 0.00 C ATOM 1169 NZ LYS B 9 15.770 8.827 -0.209 1.00 0.00 N ATOM 0 H LYS B 9 11.740 2.736 -2.335 1.00 0.00 H new ATOM 0 HA LYS B 9 14.159 3.734 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.730 5.264 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS B 9 13.361 4.251 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS B 9 15.674 4.874 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS B 9 15.131 5.759 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.808 7.300 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.428 6.439 0.046 1.00 0.00 H new ATOM 0 HE2 LYS B 9 16.769 7.008 -0.632 1.00 0.00 H new ATOM 0 HE3 LYS B 9 16.162 7.848 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.647 9.384 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.983 9.390 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.570 8.576 0.780 1.00 0.00 H new ATOM 1183 N SER B 10 13.876 1.086 -2.113 1.00 0.00 N ATOM 1184 CA SER B 10 14.496 -0.182 -1.690 1.00 0.00 C ATOM 1185 C SER B 10 15.230 -0.929 -2.813 1.00 0.00 C ATOM 1186 O SER B 10 16.108 -1.759 -2.482 1.00 0.00 O ATOM 1187 CB SER B 10 13.439 -1.065 -1.024 1.00 0.00 C ATOM 1188 OG SER B 10 12.269 -1.178 -1.830 1.00 0.00 O ATOM 1189 OXT SER B 10 14.964 -0.675 -4.010 1.00 0.00 O ATOM 0 H SER B 10 12.867 0.995 -2.234 1.00 0.00 H new ATOM 0 HA SER B 10 15.277 0.068 -0.972 1.00 0.00 H new ATOM 0 HB2 SER B 10 13.854 -2.056 -0.842 1.00 0.00 H new ATOM 0 HB3 SER B 10 13.174 -0.647 -0.053 1.00 0.00 H new ATOM 0 HG SER B 10 11.614 -1.750 -1.378 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.347 -1.191 9.772 1.00 0.00 ZN