USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 697 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 94 ASN : amide:sc= -6.02! K(o=-7.7!,f=-2.9) USER MOD Set 1.2: A 97 THR OG1 : rot -174:sc= -1.72 USER MOD Set 2.1: A 89 TYR OH : rot 30:sc= 1.08 USER MOD Set 2.2: A 92 THR OG1 : rot 64:sc= 1.29 USER MOD Set 3.1: A 20 GLN : amide:sc= -1.34 X(o=-0.18,f=-0.059) USER MOD Set 3.2: A 88 THR OG1 : rot 96:sc= 1.16 USER MOD Set 4.1: A 24 SER OG : rot -108:sc= 1.43 USER MOD Set 4.2: A 28 TYR OH : rot -176:sc= 1 USER MOD Set 4.3: A 81 ASN : amide:sc= -2.29 K(o=0.46,f=-2.4!) USER MOD Set 4.4: A 83 TYR OH : rot 12:sc= 0.307 USER MOD Set 5.1: A 75 ASN : amide:sc= -1.86 K(o=-2.6,f=-0.94) USER MOD Set 5.2: A 77 ASN : amide:sc= -0.722 K(o=-2.6,f=-4.6!) USER MOD Set 6.1: A 29 ASN : amide:sc= -15.8! C(o=-18!,f=-19!) USER MOD Set 6.2: A 72 ASN : amide:sc= -1.96 K(o=-18,f=-19!) USER MOD Set 7.1: A 9 ASN : amide:sc= -1.05 K(o=-0.079,f=1.1) USER MOD Set 7.2: A 66 TYR OH : rot 20:sc= 0.967 USER MOD Single : A 10 MET CE :methyl -156:sc= -0.0886 (180deg=-0.583) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00675 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.32 K(o=0.32,f=-0.79) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.14! K(o=-5.1!,f=-0.41) USER MOD Single : A 38 ASN : amide:sc= 0.988 K(o=0.99,f=-3.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 50 GLN : amide:sc= -1.75 K(o=-1.7,f=0) USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.00723 USER MOD Single : A 55 SER OG : rot 28:sc= -4.88! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 36:sc= -0.475! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -80:sc= -3.9! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -9.273 6.784 -0.220 1.00 0.30 N ATOM 107 CA VAL A 8 -7.870 6.681 0.184 1.00 0.24 C ATOM 108 C VAL A 8 -7.706 6.399 1.682 1.00 0.19 C ATOM 109 O VAL A 8 -7.564 7.320 2.489 1.00 0.28 O ATOM 110 CB VAL A 8 -7.056 7.940 -0.155 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.575 7.703 0.102 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.292 8.388 -1.591 1.00 0.45 C ATOM 0 HA VAL A 8 -7.485 5.838 -0.390 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.397 8.743 0.498 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -5.014 8.605 -0.144 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.423 7.456 1.153 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.225 6.878 -0.519 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.701 9.281 -1.796 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.995 7.592 -2.274 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.349 8.613 -1.733 1.00 0.45 H new ATOM 122 N ASN A 9 -7.704 5.132 2.044 1.00 0.15 N ATOM 123 CA ASN A 9 -7.516 4.726 3.431 1.00 0.22 C ATOM 124 C ASN A 9 -6.893 3.341 3.507 1.00 0.16 C ATOM 125 O ASN A 9 -6.552 2.758 2.481 1.00 0.15 O ATOM 126 CB ASN A 9 -8.841 4.770 4.199 1.00 0.41 C ATOM 127 CG ASN A 9 -10.034 4.295 3.391 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.714 5.091 2.750 1.00 1.41 O ATOM 129 ND2 ASN A 9 -10.308 3.005 3.417 1.00 0.96 N ATOM 0 H ASN A 9 -7.831 4.356 1.394 1.00 0.15 H new ATOM 0 HA ASN A 9 -6.832 5.433 3.900 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -8.752 4.154 5.094 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.023 5.792 4.532 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.105 2.642 2.894 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -9.723 2.370 3.960 1.00 0.96 H new ATOM 136 N MET A 10 -6.717 2.829 4.721 1.00 0.15 N ATOM 137 CA MET A 10 -6.108 1.515 4.913 1.00 0.12 C ATOM 138 C MET A 10 -7.162 0.429 5.060 1.00 0.08 C ATOM 139 O MET A 10 -6.861 -0.759 5.086 1.00 0.09 O ATOM 140 CB MET A 10 -5.162 1.527 6.109 1.00 0.18 C ATOM 141 CG MET A 10 -3.913 2.365 5.894 1.00 0.39 C ATOM 142 SD MET A 10 -4.226 4.137 5.859 1.00 0.89 S ATOM 143 CE MET A 10 -2.615 4.723 5.339 1.00 0.24 C ATOM 0 H MET A 10 -6.986 3.301 5.584 1.00 0.15 H new ATOM 0 HA MET A 10 -5.525 1.285 4.021 1.00 0.12 H new ATOM 0 HB2 MET A 10 -5.697 1.906 6.980 1.00 0.18 H new ATOM 0 HB3 MET A 10 -4.866 0.503 6.337 1.00 0.18 H new ATOM 0 HG2 MET A 10 -3.199 2.147 6.688 1.00 0.39 H new ATOM 0 HG3 MET A 10 -3.445 2.069 4.955 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.482 5.755 5.662 1.00 0.24 H new ATOM 0 HE2 MET A 10 -1.840 4.100 5.785 1.00 0.24 H new ATOM 0 HE3 MET A 10 -2.542 4.670 4.253 1.00 0.24 H new ATOM 153 N GLY A 11 -8.380 0.899 5.172 1.00 0.10 N ATOM 154 CA GLY A 11 -9.608 0.106 5.082 1.00 0.10 C ATOM 155 C GLY A 11 -9.861 -0.871 6.216 1.00 0.08 C ATOM 156 O GLY A 11 -11.010 -1.054 6.620 1.00 0.10 O ATOM 0 H GLY A 11 -8.564 1.889 5.336 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.454 0.791 5.025 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.587 -0.453 4.147 1.00 0.10 H new ATOM 160 N LEU A 12 -8.822 -1.480 6.748 1.00 0.07 N ATOM 161 CA LEU A 12 -8.920 -2.214 7.982 1.00 0.07 C ATOM 162 C LEU A 12 -7.937 -1.656 8.983 1.00 0.08 C ATOM 163 O LEU A 12 -7.070 -0.844 8.645 1.00 0.09 O ATOM 164 CB LEU A 12 -8.683 -3.704 7.773 1.00 0.08 C ATOM 165 CG LEU A 12 -9.602 -4.401 6.765 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.261 -5.872 6.686 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.071 -4.239 7.112 1.00 0.11 C ATOM 0 H LEU A 12 -7.890 -1.477 6.334 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.934 -2.100 8.366 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.651 -3.845 7.450 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.787 -4.206 8.735 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.437 -3.925 5.798 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.919 -6.360 5.967 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.225 -5.989 6.367 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.392 -6.329 7.667 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.680 -4.751 6.367 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.262 -4.670 8.095 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.327 -3.180 7.124 1.00 0.11 H new ATOM 179 N SER A 13 -8.059 -2.113 10.200 1.00 0.10 N ATOM 180 CA SER A 13 -7.158 -1.743 11.248 1.00 0.12 C ATOM 181 C SER A 13 -6.063 -2.789 11.407 1.00 0.13 C ATOM 182 O SER A 13 -6.338 -3.955 11.698 1.00 0.16 O ATOM 183 CB SER A 13 -7.963 -1.586 12.522 1.00 0.15 C ATOM 184 OG SER A 13 -8.575 -0.310 12.587 1.00 1.20 O ATOM 0 H SER A 13 -8.794 -2.758 10.490 1.00 0.10 H new ATOM 0 HA SER A 13 -6.664 -0.801 11.010 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.727 -2.362 12.570 1.00 0.15 H new ATOM 0 HB3 SER A 13 -7.313 -1.725 13.386 1.00 0.15 H new ATOM 0 HG SER A 13 -9.089 -0.236 13.418 1.00 1.20 H new ATOM 190 N SER A 14 -4.822 -2.366 11.208 1.00 0.13 N ATOM 191 CA SER A 14 -3.673 -3.247 11.349 1.00 0.14 C ATOM 192 C SER A 14 -3.237 -3.322 12.811 1.00 0.17 C ATOM 193 O SER A 14 -2.087 -3.641 13.125 1.00 0.19 O ATOM 194 CB SER A 14 -2.524 -2.749 10.471 1.00 0.16 C ATOM 195 OG SER A 14 -2.251 -1.379 10.715 1.00 0.20 O ATOM 0 H SER A 14 -4.585 -1.409 10.946 1.00 0.13 H new ATOM 0 HA SER A 14 -3.953 -4.249 11.024 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.630 -3.341 10.666 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.777 -2.891 9.420 1.00 0.16 H new ATOM 0 HG SER A 14 -1.512 -1.086 10.143 1.00 0.20 H new ATOM 201 N ALA A 15 -4.165 -3.022 13.698 1.00 0.21 N ATOM 202 CA ALA A 15 -3.907 -3.050 15.120 1.00 0.26 C ATOM 203 C ALA A 15 -4.148 -4.441 15.692 1.00 0.28 C ATOM 204 O ALA A 15 -5.292 -4.846 15.907 1.00 0.35 O ATOM 205 CB ALA A 15 -4.777 -2.016 15.813 1.00 0.32 C ATOM 0 H ALA A 15 -5.117 -2.753 13.451 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.859 -2.805 15.295 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.583 -2.037 16.885 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.546 -1.025 15.422 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.827 -2.243 15.630 1.00 0.32 H new ATOM 211 N GLY A 16 -3.069 -5.175 15.927 1.00 0.27 N ATOM 212 CA GLY A 16 -3.182 -6.520 16.464 1.00 0.31 C ATOM 213 C GLY A 16 -3.110 -7.573 15.380 1.00 0.26 C ATOM 214 O GLY A 16 -3.005 -8.767 15.664 1.00 0.31 O ATOM 0 H GLY A 16 -2.113 -4.863 15.755 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.384 -6.689 17.187 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.125 -6.617 17.001 1.00 0.31 H new ATOM 218 N VAL A 17 -3.171 -7.125 14.135 1.00 0.19 N ATOM 219 CA VAL A 17 -3.116 -8.007 12.988 1.00 0.15 C ATOM 220 C VAL A 17 -1.740 -8.600 12.811 1.00 0.15 C ATOM 221 O VAL A 17 -0.725 -7.983 13.142 1.00 0.18 O ATOM 222 CB VAL A 17 -3.511 -7.256 11.702 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.485 -6.201 11.361 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.666 -8.215 10.550 1.00 0.11 C ATOM 0 H VAL A 17 -3.260 -6.138 13.895 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.825 -8.814 13.171 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.468 -6.767 11.881 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.784 -5.683 10.450 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.415 -5.484 12.179 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.515 -6.673 11.208 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.945 -7.663 9.652 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.723 -8.733 10.379 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.443 -8.943 10.785 1.00 0.11 H new ATOM 234 N ALA A 18 -1.717 -9.808 12.293 1.00 0.14 N ATOM 235 CA ALA A 18 -0.473 -10.459 11.998 1.00 0.14 C ATOM 236 C ALA A 18 -0.012 -10.089 10.601 1.00 0.13 C ATOM 237 O ALA A 18 -0.044 -10.892 9.667 1.00 0.13 O ATOM 238 CB ALA A 18 -0.631 -11.954 12.151 1.00 0.16 C ATOM 0 H ALA A 18 -2.549 -10.354 12.070 1.00 0.14 H new ATOM 0 HA ALA A 18 0.291 -10.125 12.700 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.316 -12.445 11.926 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.926 -12.186 13.174 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.397 -12.311 11.463 1.00 0.16 H new ATOM 244 N VAL A 19 0.466 -8.869 10.498 1.00 0.12 N ATOM 245 CA VAL A 19 0.868 -8.290 9.226 1.00 0.11 C ATOM 246 C VAL A 19 2.317 -8.595 8.893 1.00 0.11 C ATOM 247 O VAL A 19 3.201 -8.504 9.747 1.00 0.12 O ATOM 248 CB VAL A 19 0.606 -6.768 9.205 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.843 -6.173 10.571 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.467 -6.070 8.173 1.00 0.11 C ATOM 0 H VAL A 19 0.589 -8.244 11.295 1.00 0.12 H new ATOM 0 HA VAL A 19 0.256 -8.755 8.453 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.437 -6.616 8.928 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.654 -5.100 10.538 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.171 -6.638 11.292 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.876 -6.350 10.871 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.256 -5.001 8.186 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.519 -6.235 8.405 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.246 -6.471 7.184 1.00 0.11 H new ATOM 260 N GLN A 20 2.548 -8.966 7.639 1.00 0.09 N ATOM 261 CA GLN A 20 3.870 -9.320 7.197 1.00 0.10 C ATOM 262 C GLN A 20 4.629 -8.088 6.744 1.00 0.10 C ATOM 263 O GLN A 20 4.508 -7.655 5.604 1.00 0.11 O ATOM 264 CB GLN A 20 3.773 -10.311 6.046 1.00 0.11 C ATOM 265 CG GLN A 20 2.849 -11.479 6.324 1.00 0.13 C ATOM 266 CD GLN A 20 2.904 -12.529 5.242 1.00 0.24 C ATOM 267 OE1 GLN A 20 3.920 -12.701 4.570 1.00 0.66 O ATOM 268 NE2 GLN A 20 1.811 -13.247 5.071 1.00 0.48 N ATOM 0 H GLN A 20 1.829 -9.026 6.918 1.00 0.09 H new ATOM 0 HA GLN A 20 4.407 -9.774 8.030 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.424 -9.787 5.156 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.769 -10.693 5.822 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.117 -11.931 7.279 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.826 -11.114 6.420 1.00 0.13 H new ATOM 0 HE21 GLN A 20 0.990 -13.072 5.650 1.00 0.48 H new ATOM 0 HE22 GLN A 20 1.787 -13.978 4.360 1.00 0.48 H new ATOM 277 N ARG A 21 5.484 -7.584 7.609 1.00 0.10 N ATOM 278 CA ARG A 21 6.270 -6.409 7.294 1.00 0.12 C ATOM 279 C ARG A 21 7.576 -6.815 6.640 1.00 0.14 C ATOM 280 O ARG A 21 8.085 -6.130 5.754 1.00 0.16 O ATOM 281 CB ARG A 21 6.543 -5.640 8.572 1.00 0.13 C ATOM 282 CG ARG A 21 5.326 -5.532 9.463 1.00 0.16 C ATOM 283 CD ARG A 21 4.824 -4.103 9.536 1.00 0.33 C ATOM 284 NE ARG A 21 3.770 -3.933 10.536 1.00 0.40 N ATOM 285 CZ ARG A 21 2.847 -2.969 10.497 1.00 0.58 C ATOM 286 NH1 ARG A 21 2.765 -2.153 9.451 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 1.986 -2.840 11.497 1.00 0.62 N ATOM 0 H ARG A 21 5.653 -7.970 8.538 1.00 0.10 H new ATOM 0 HA ARG A 21 5.718 -5.777 6.598 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.347 -6.130 9.121 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.893 -4.639 8.320 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.535 -6.179 9.083 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.573 -5.885 10.464 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.656 -3.440 9.773 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.446 -3.803 8.559 1.00 0.33 H new ATOM 0 HE ARG A 21 3.738 -4.593 11.313 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.411 -2.260 8.669 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.056 -1.420 9.431 1.00 0.84 H new ATOM 0 HH21 ARG A 21 2.030 -3.476 12.293 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.280 -2.105 11.470 1.00 0.62 H new ATOM 301 N SER A 22 8.096 -7.959 7.068 1.00 0.18 N ATOM 302 CA SER A 22 9.340 -8.494 6.533 1.00 0.21 C ATOM 303 C SER A 22 9.195 -8.845 5.056 1.00 0.19 C ATOM 304 O SER A 22 10.179 -9.080 4.353 1.00 0.28 O ATOM 305 CB SER A 22 9.739 -9.739 7.315 1.00 0.28 C ATOM 306 OG SER A 22 9.723 -9.493 8.711 1.00 0.89 O ATOM 0 H SER A 22 7.670 -8.538 7.791 1.00 0.18 H new ATOM 0 HA SER A 22 10.112 -7.731 6.631 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.056 -10.555 7.079 1.00 0.28 H new ATOM 0 HB3 SER A 22 10.735 -10.059 7.011 1.00 0.28 H new ATOM 0 HG SER A 22 9.981 -10.308 9.190 1.00 0.89 H new ATOM 312 N ALA A 23 7.956 -8.880 4.596 1.00 0.14 N ATOM 313 CA ALA A 23 7.653 -9.250 3.231 1.00 0.14 C ATOM 314 C ALA A 23 7.492 -8.014 2.353 1.00 0.13 C ATOM 315 O ALA A 23 7.210 -8.121 1.163 1.00 0.17 O ATOM 316 CB ALA A 23 6.391 -10.098 3.209 1.00 0.17 C ATOM 0 H ALA A 23 7.136 -8.653 5.159 1.00 0.14 H new ATOM 0 HA ALA A 23 8.482 -9.831 2.827 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.159 -10.379 2.182 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.547 -10.997 3.805 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.561 -9.526 3.625 1.00 0.17 H new ATOM 322 N SER A 24 7.679 -6.840 2.943 1.00 0.14 N ATOM 323 CA SER A 24 7.497 -5.591 2.219 1.00 0.15 C ATOM 324 C SER A 24 8.616 -5.375 1.209 1.00 0.15 C ATOM 325 O SER A 24 9.795 -5.571 1.504 1.00 0.26 O ATOM 326 CB SER A 24 7.420 -4.408 3.188 1.00 0.17 C ATOM 327 OG SER A 24 7.253 -3.180 2.497 1.00 0.21 O ATOM 0 H SER A 24 7.956 -6.728 3.918 1.00 0.14 H new ATOM 0 HA SER A 24 6.555 -5.656 1.675 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.589 -4.555 3.878 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.329 -4.368 3.788 1.00 0.17 H new ATOM 0 HG SER A 24 8.086 -2.665 2.539 1.00 0.21 H new ATOM 333 N ARG A 25 8.215 -4.986 0.009 1.00 0.12 N ATOM 334 CA ARG A 25 9.136 -4.699 -1.070 1.00 0.12 C ATOM 335 C ARG A 25 9.921 -3.422 -0.830 1.00 0.13 C ATOM 336 O ARG A 25 10.998 -3.232 -1.401 1.00 0.18 O ATOM 337 CB ARG A 25 8.362 -4.581 -2.369 1.00 0.17 C ATOM 338 CG ARG A 25 8.060 -5.917 -3.016 1.00 0.27 C ATOM 339 CD ARG A 25 9.332 -6.625 -3.437 1.00 0.41 C ATOM 340 NE ARG A 25 9.907 -7.423 -2.354 1.00 1.10 N ATOM 341 CZ ARG A 25 10.691 -8.483 -2.544 1.00 1.31 C ATOM 342 NH1 ARG A 25 10.976 -8.896 -3.774 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 11.172 -9.144 -1.502 1.00 2.10 N ATOM 0 H ARG A 25 7.234 -4.861 -0.241 1.00 0.12 H new ATOM 0 HA ARG A 25 9.852 -5.519 -1.124 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.425 -4.059 -2.178 1.00 0.17 H new ATOM 0 HB3 ARG A 25 8.932 -3.968 -3.068 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.506 -6.545 -2.318 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.420 -5.766 -3.886 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.121 -7.271 -4.289 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.063 -5.888 -3.770 1.00 0.41 H new ATOM 0 HE ARG A 25 9.694 -7.151 -1.394 1.00 1.10 H new ATOM 0 HH11 ARG A 25 10.594 -8.401 -4.580 1.00 1.30 H new ATOM 0 HH12 ARG A 25 11.577 -9.708 -3.913 1.00 1.30 H new ATOM 0 HH21 ARG A 25 10.942 -8.841 -0.556 1.00 2.10 H new ATOM 0 HH22 ARG A 25 11.772 -9.956 -1.646 1.00 2.10 H new ATOM 357 N VAL A 26 9.384 -2.549 0.006 1.00 0.12 N ATOM 358 CA VAL A 26 10.001 -1.254 0.235 1.00 0.12 C ATOM 359 C VAL A 26 10.198 -1.036 1.730 1.00 0.13 C ATOM 360 O VAL A 26 9.457 -1.594 2.542 1.00 0.13 O ATOM 361 CB VAL A 26 9.152 -0.120 -0.386 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.857 1.220 -0.268 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.845 -0.423 -1.846 1.00 0.12 C ATOM 0 H VAL A 26 8.527 -2.712 0.534 1.00 0.12 H new ATOM 0 HA VAL A 26 10.976 -1.236 -0.252 1.00 0.12 H new ATOM 0 HB VAL A 26 8.215 -0.062 0.168 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.237 1.998 -0.713 1.00 0.11 H new ATOM 0 HG12 VAL A 26 10.028 1.450 0.784 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.813 1.175 -0.790 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.247 0.385 -2.267 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.778 -0.513 -2.403 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.290 -1.359 -1.915 1.00 0.12 H new ATOM 373 N ALA A 27 11.208 -0.251 2.085 1.00 0.13 N ATOM 374 CA ALA A 27 11.596 -0.087 3.478 1.00 0.13 C ATOM 375 C ALA A 27 10.599 0.732 4.279 1.00 0.12 C ATOM 376 O ALA A 27 10.162 1.797 3.873 1.00 0.11 O ATOM 377 CB ALA A 27 12.966 0.540 3.591 1.00 0.14 C ATOM 0 H ALA A 27 11.773 0.283 1.425 1.00 0.13 H new ATOM 0 HA ALA A 27 11.616 -1.091 3.902 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.230 0.651 4.643 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.700 -0.098 3.098 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.958 1.520 3.114 1.00 0.14 H new ATOM 383 N TYR A 28 10.308 0.213 5.440 1.00 0.13 N ATOM 384 CA TYR A 28 9.426 0.786 6.431 1.00 0.13 C ATOM 385 C TYR A 28 9.967 2.040 7.098 1.00 0.13 C ATOM 386 O TYR A 28 9.925 2.133 8.324 1.00 0.16 O ATOM 387 CB TYR A 28 9.060 -0.250 7.469 1.00 0.15 C ATOM 388 CG TYR A 28 7.659 -0.760 7.299 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.576 -0.052 7.790 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.427 -1.966 6.658 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.292 -0.534 7.642 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.151 -2.455 6.504 1.00 0.14 C ATOM 393 CZ TYR A 28 5.062 -1.665 6.976 1.00 0.14 C ATOM 394 OH TYR A 28 3.809 -2.218 6.847 1.00 0.16 O ATOM 0 H TYR A 28 10.703 -0.677 5.742 1.00 0.13 H new ATOM 0 HA TYR A 28 8.534 1.102 5.890 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.758 -1.085 7.407 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.168 0.182 8.464 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.738 0.889 8.295 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.262 -2.532 6.273 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.464 0.011 8.071 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.978 -3.413 6.037 1.00 0.14 H new ATOM 0 HH TYR A 28 3.876 -3.074 6.375 1.00 0.16 H new ATOM 404 N ASN A 29 10.506 2.984 6.337 1.00 0.13 N ATOM 405 CA ASN A 29 11.378 4.005 6.918 1.00 0.15 C ATOM 406 C ASN A 29 10.574 4.928 7.827 1.00 0.15 C ATOM 407 O ASN A 29 9.935 5.878 7.402 1.00 0.14 O ATOM 408 CB ASN A 29 12.091 4.858 5.828 1.00 0.15 C ATOM 409 CG ASN A 29 11.195 5.452 4.748 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.677 5.885 3.705 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.903 5.490 4.978 1.00 0.12 N ATOM 0 H ASN A 29 10.360 3.067 5.331 1.00 0.13 H new ATOM 0 HA ASN A 29 12.142 3.482 7.493 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.619 5.673 6.322 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.845 4.236 5.345 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.272 5.886 4.281 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.530 5.123 5.853 1.00 0.12 H new ATOM 418 N GLN A 30 10.629 4.631 9.116 1.00 0.18 N ATOM 419 CA GLN A 30 9.799 5.309 10.089 1.00 0.19 C ATOM 420 C GLN A 30 10.107 6.802 10.119 1.00 0.21 C ATOM 421 O GLN A 30 9.322 7.593 10.611 1.00 0.24 O ATOM 422 CB GLN A 30 9.976 4.689 11.472 1.00 0.23 C ATOM 423 CG GLN A 30 8.882 5.070 12.438 1.00 0.26 C ATOM 424 CD GLN A 30 7.540 4.498 12.065 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.434 3.405 11.511 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.510 5.258 12.343 1.00 0.29 N ATOM 0 H GLN A 30 11.245 3.920 9.510 1.00 0.18 H new ATOM 0 HA GLN A 30 8.757 5.187 9.792 1.00 0.19 H new ATOM 0 HB2 GLN A 30 10.005 3.604 11.376 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.938 4.998 11.882 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.152 4.727 13.437 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.807 6.157 12.483 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.649 6.157 12.804 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.569 4.951 12.099 1.00 0.29 H new ATOM 435 N SER A 31 11.234 7.180 9.547 1.00 0.20 N ATOM 436 CA SER A 31 11.618 8.579 9.470 1.00 0.21 C ATOM 437 C SER A 31 10.847 9.286 8.354 1.00 0.21 C ATOM 438 O SER A 31 10.589 10.483 8.440 1.00 0.30 O ATOM 439 CB SER A 31 13.126 8.705 9.241 1.00 0.23 C ATOM 440 OG SER A 31 13.557 10.059 9.316 1.00 1.11 O ATOM 0 H SER A 31 11.903 6.535 9.127 1.00 0.20 H new ATOM 0 HA SER A 31 11.369 9.059 10.417 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.658 8.112 9.985 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.382 8.295 8.264 1.00 0.23 H new ATOM 0 HG SER A 31 14.525 10.103 9.167 1.00 1.11 H new ATOM 446 N ALA A 32 10.481 8.542 7.311 1.00 0.15 N ATOM 447 CA ALA A 32 9.628 9.082 6.260 1.00 0.14 C ATOM 448 C ALA A 32 8.182 8.842 6.635 1.00 0.14 C ATOM 449 O ALA A 32 7.292 9.612 6.281 1.00 0.15 O ATOM 450 CB ALA A 32 9.938 8.451 4.906 1.00 0.12 C ATOM 0 H ALA A 32 10.761 7.571 7.174 1.00 0.15 H new ATOM 0 HA ALA A 32 9.818 10.151 6.168 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.283 8.878 4.147 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.977 8.649 4.642 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.776 7.374 4.961 1.00 0.12 H new ATOM 456 N ILE A 33 7.977 7.772 7.389 1.00 0.14 N ATOM 457 CA ILE A 33 6.655 7.400 7.868 1.00 0.16 C ATOM 458 C ILE A 33 6.160 8.426 8.875 1.00 0.19 C ATOM 459 O ILE A 33 5.014 8.870 8.830 1.00 0.22 O ATOM 460 CB ILE A 33 6.686 6.025 8.542 1.00 0.16 C ATOM 461 CG1 ILE A 33 7.020 4.928 7.534 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.375 5.737 9.229 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.195 3.565 8.168 1.00 0.15 C ATOM 0 H ILE A 33 8.720 7.139 7.685 1.00 0.14 H new ATOM 0 HA ILE A 33 5.985 7.364 7.009 1.00 0.16 H new ATOM 0 HB ILE A 33 7.472 6.039 9.297 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.226 4.875 6.789 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.935 5.196 7.006 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.419 4.755 9.701 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.187 6.496 9.988 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.569 5.751 8.495 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.431 2.832 7.396 1.00 0.15 H new ATOM 0 HD12 ILE A 33 8.008 3.603 8.893 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.272 3.277 8.672 1.00 0.15 H new ATOM 475 N ASP A 34 7.055 8.809 9.770 1.00 0.20 N ATOM 476 CA ASP A 34 6.761 9.786 10.796 1.00 0.24 C ATOM 477 C ASP A 34 6.790 11.171 10.190 1.00 0.25 C ATOM 478 O ASP A 34 6.406 12.160 10.812 1.00 0.29 O ATOM 479 CB ASP A 34 7.775 9.682 11.924 1.00 0.26 C ATOM 480 CG ASP A 34 7.486 8.541 12.884 1.00 0.78 C ATOM 481 OD1 ASP A 34 8.421 8.077 13.574 1.00 1.54 O ATOM 482 OD2 ASP A 34 6.321 8.090 12.946 1.00 1.41 O1- ATOM 0 H ASP A 34 8.008 8.448 9.803 1.00 0.20 H new ATOM 0 HA ASP A 34 5.770 9.594 11.206 1.00 0.24 H new ATOM 0 HB2 ASP A 34 8.770 9.548 11.499 1.00 0.26 H new ATOM 0 HB3 ASP A 34 7.790 10.620 12.479 1.00 0.26 H new ATOM 487 N ASP A 35 7.260 11.212 8.958 1.00 0.22 N ATOM 488 CA ASP A 35 7.297 12.421 8.164 1.00 0.24 C ATOM 489 C ASP A 35 6.043 12.494 7.302 1.00 0.24 C ATOM 490 O ASP A 35 6.016 13.155 6.268 1.00 0.25 O ATOM 491 CB ASP A 35 8.550 12.482 7.304 1.00 0.23 C ATOM 492 CG ASP A 35 8.846 13.889 6.830 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.546 14.210 5.665 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.383 14.686 7.623 1.00 0.48 O1- ATOM 0 H ASP A 35 7.632 10.394 8.475 1.00 0.22 H new ATOM 0 HA ASP A 35 7.326 13.281 8.834 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.399 12.106 7.874 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.430 11.827 6.441 1.00 0.23 H new ATOM 499 N SER A 36 5.050 11.699 7.698 1.00 0.25 N ATOM 500 CA SER A 36 3.757 11.572 7.016 1.00 0.27 C ATOM 501 C SER A 36 3.193 12.911 6.509 1.00 0.30 C ATOM 502 O SER A 36 2.335 12.924 5.629 1.00 0.37 O ATOM 503 CB SER A 36 2.754 10.924 7.968 1.00 0.35 C ATOM 504 OG SER A 36 1.775 10.180 7.263 1.00 1.47 O ATOM 0 H SER A 36 5.122 11.107 8.526 1.00 0.25 H new ATOM 0 HA SER A 36 3.922 10.953 6.134 1.00 0.27 H new ATOM 0 HB2 SER A 36 3.280 10.269 8.662 1.00 0.35 H new ATOM 0 HB3 SER A 36 2.267 11.695 8.565 1.00 0.35 H new ATOM 0 HG SER A 36 1.149 9.777 7.900 1.00 1.47 H new ATOM 510 N ASN A 37 3.667 14.024 7.059 1.00 0.29 N ATOM 511 CA ASN A 37 3.271 15.346 6.589 1.00 0.31 C ATOM 512 C ASN A 37 3.684 15.586 5.136 1.00 0.30 C ATOM 513 O ASN A 37 3.257 16.563 4.518 1.00 0.34 O ATOM 514 CB ASN A 37 3.842 16.452 7.494 1.00 0.34 C ATOM 515 CG ASN A 37 5.358 16.402 7.702 1.00 0.49 C ATOM 516 OD1 ASN A 37 5.851 16.782 8.764 1.00 0.97 O ATOM 517 ND2 ASN A 37 6.114 15.950 6.709 1.00 0.30 N ATOM 0 H ASN A 37 4.329 14.036 7.835 1.00 0.29 H new ATOM 0 HA ASN A 37 2.183 15.383 6.636 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.581 17.420 7.067 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.355 16.391 8.467 1.00 0.34 H new ATOM 0 HD21 ASN A 37 7.128 15.912 6.816 1.00 0.30 H new ATOM 0 HD22 ASN A 37 5.681 15.641 5.839 1.00 0.30 H new ATOM 524 N ASN A 38 4.536 14.714 4.603 1.00 0.26 N ATOM 525 CA ASN A 38 4.955 14.788 3.229 1.00 0.28 C ATOM 526 C ASN A 38 3.786 14.643 2.288 1.00 0.36 C ATOM 527 O ASN A 38 2.852 13.881 2.543 1.00 0.82 O ATOM 528 CB ASN A 38 5.940 13.673 2.941 1.00 0.21 C ATOM 529 CG ASN A 38 7.174 14.198 2.272 1.00 0.23 C ATOM 530 OD1 ASN A 38 7.264 14.267 1.050 1.00 0.25 O ATOM 531 ND2 ASN A 38 8.130 14.570 3.083 1.00 0.25 N ATOM 0 H ASN A 38 4.949 13.939 5.123 1.00 0.26 H new ATOM 0 HA ASN A 38 5.415 15.764 3.073 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.212 13.175 3.872 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.469 12.924 2.305 1.00 0.21 H new ATOM 0 HD21 ASN A 38 9.003 14.939 2.707 1.00 0.25 H new ATOM 0 HD22 ASN A 38 8.002 14.491 4.092 1.00 0.25 H new ATOM 538 N SER A 39 3.853 15.357 1.184 1.00 0.29 N ATOM 539 CA SER A 39 2.922 15.150 0.104 1.00 0.31 C ATOM 540 C SER A 39 3.288 13.873 -0.631 1.00 0.21 C ATOM 541 O SER A 39 2.585 13.448 -1.546 1.00 0.21 O ATOM 542 CB SER A 39 2.938 16.339 -0.842 1.00 0.43 C ATOM 543 OG SER A 39 4.256 16.831 -1.012 1.00 1.39 O ATOM 0 H SER A 39 4.545 16.086 1.014 1.00 0.29 H new ATOM 0 HA SER A 39 1.913 15.054 0.505 1.00 0.31 H new ATOM 0 HB2 SER A 39 2.527 16.046 -1.808 1.00 0.43 H new ATOM 0 HB3 SER A 39 2.298 17.129 -0.450 1.00 0.43 H new ATOM 0 HG SER A 39 4.243 17.595 -1.626 1.00 1.39 H new ATOM 549 N ALA A 40 4.392 13.253 -0.200 1.00 0.15 N ATOM 550 CA ALA A 40 4.818 11.980 -0.741 1.00 0.12 C ATOM 551 C ALA A 40 3.803 10.906 -0.409 1.00 0.11 C ATOM 552 O ALA A 40 3.781 9.859 -1.022 1.00 0.14 O ATOM 553 CB ALA A 40 6.183 11.601 -0.194 1.00 0.10 C ATOM 0 H ALA A 40 5.003 13.624 0.527 1.00 0.15 H new ATOM 0 HA ALA A 40 4.893 12.070 -1.825 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.488 10.641 -0.611 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.910 12.364 -0.470 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.131 11.525 0.892 1.00 0.10 H new ATOM 559 N TRP A 41 2.958 11.188 0.563 1.00 0.10 N ATOM 560 CA TRP A 41 1.994 10.217 1.042 1.00 0.10 C ATOM 561 C TRP A 41 0.621 10.412 0.404 1.00 0.12 C ATOM 562 O TRP A 41 -0.276 9.580 0.559 1.00 0.15 O ATOM 563 CB TRP A 41 1.889 10.325 2.550 1.00 0.10 C ATOM 564 CG TRP A 41 3.166 9.986 3.258 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.982 10.851 3.922 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.786 8.697 3.358 1.00 0.09 C ATOM 567 NE1 TRP A 41 5.044 10.177 4.462 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.951 8.856 4.125 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.469 7.422 2.886 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.793 7.794 4.432 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.306 6.370 3.191 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.457 6.562 3.962 1.00 0.12 C ATOM 0 H TRP A 41 2.920 12.089 1.040 1.00 0.10 H new ATOM 0 HA TRP A 41 2.341 9.223 0.760 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.593 11.340 2.815 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.099 9.661 2.901 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.815 11.914 4.010 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.785 10.594 5.025 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.582 7.262 2.291 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.684 7.942 5.024 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.069 5.381 2.828 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.091 5.717 4.188 1.00 0.12 H new ATOM 583 N ASP A 42 0.463 11.518 -0.298 1.00 0.11 N ATOM 584 CA ASP A 42 -0.772 11.812 -1.012 1.00 0.14 C ATOM 585 C ASP A 42 -0.782 11.088 -2.346 1.00 0.15 C ATOM 586 O ASP A 42 -0.036 11.432 -3.263 1.00 0.21 O ATOM 587 CB ASP A 42 -0.923 13.316 -1.235 1.00 0.21 C ATOM 588 CG ASP A 42 -2.116 13.659 -2.109 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.244 13.234 -1.778 1.00 0.50 O ATOM 590 OD2 ASP A 42 -1.934 14.357 -3.129 1.00 0.41 O1- ATOM 0 H ASP A 42 1.181 12.237 -0.391 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.611 11.467 -0.408 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.028 13.814 -0.271 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.015 13.704 -1.697 1.00 0.21 H new ATOM 595 N PHE A 43 -1.617 10.061 -2.424 1.00 0.11 N ATOM 596 CA PHE A 43 -1.740 9.259 -3.634 1.00 0.10 C ATOM 597 C PHE A 43 -2.212 10.106 -4.826 1.00 0.12 C ATOM 598 O PHE A 43 -1.466 10.324 -5.781 1.00 0.14 O ATOM 599 CB PHE A 43 -2.797 8.170 -3.456 1.00 0.09 C ATOM 600 CG PHE A 43 -2.525 7.102 -2.456 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.287 7.458 -1.147 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.497 5.770 -2.802 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.031 6.513 -0.196 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.237 4.809 -1.851 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.035 5.062 -0.664 1.00 0.06 C ATOM 0 H PHE A 43 -2.222 9.762 -1.659 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.752 8.839 -3.819 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.735 8.654 -3.184 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.953 7.692 -4.423 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.303 8.501 -0.869 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.680 5.477 -3.825 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.836 6.779 0.832 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.209 3.776 -2.164 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.862 4.262 0.041 1.00 0.06 H new ATOM 615 N ALA A 44 -3.453 10.614 -4.703 1.00 0.13 N ATOM 616 CA ALA A 44 -4.146 11.395 -5.747 1.00 0.16 C ATOM 617 C ALA A 44 -5.664 11.380 -5.506 1.00 0.18 C ATOM 618 O ALA A 44 -6.141 11.861 -4.479 1.00 0.24 O ATOM 619 CB ALA A 44 -3.863 10.864 -7.150 1.00 0.16 C ATOM 0 H ALA A 44 -4.013 10.491 -3.859 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.764 12.414 -5.684 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.395 11.471 -7.883 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.792 10.911 -7.348 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.200 9.830 -7.222 1.00 0.16 H new ATOM 625 N ASP A 45 -6.413 10.789 -6.449 1.00 0.17 N ATOM 626 CA ASP A 45 -7.875 10.695 -6.362 1.00 0.20 C ATOM 627 C ASP A 45 -8.362 9.326 -6.828 1.00 0.16 C ATOM 628 O ASP A 45 -8.253 8.994 -8.011 1.00 0.19 O ATOM 629 CB ASP A 45 -8.542 11.773 -7.213 1.00 0.26 C ATOM 630 CG ASP A 45 -8.455 13.158 -6.612 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.493 13.890 -6.922 1.00 1.82 O ATOM 632 OD2 ASP A 45 -9.362 13.533 -5.837 1.00 1.18 O1- ATOM 0 H ASP A 45 -6.022 10.365 -7.290 1.00 0.17 H new ATOM 0 HA ASP A 45 -8.147 10.839 -5.316 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -8.078 11.784 -8.199 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.591 11.514 -7.357 1.00 0.26 H new ATOM 637 N GLY A 46 -8.901 8.538 -5.894 1.00 0.17 N ATOM 638 CA GLY A 46 -9.316 7.166 -6.185 1.00 0.16 C ATOM 639 C GLY A 46 -8.206 6.366 -6.819 1.00 0.12 C ATOM 640 O GLY A 46 -8.445 5.435 -7.579 1.00 0.16 O ATOM 0 H GLY A 46 -9.060 8.828 -4.929 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.633 6.679 -5.263 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.179 7.181 -6.851 1.00 0.16 H new ATOM 644 N VAL A 47 -6.994 6.754 -6.485 1.00 0.08 N ATOM 645 CA VAL A 47 -5.789 6.128 -6.969 1.00 0.06 C ATOM 646 C VAL A 47 -5.539 4.855 -6.192 1.00 0.05 C ATOM 647 O VAL A 47 -5.218 3.817 -6.753 1.00 0.06 O ATOM 648 CB VAL A 47 -4.620 7.106 -6.797 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.871 7.973 -5.590 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.294 6.373 -6.691 1.00 0.09 C ATOM 0 H VAL A 47 -6.818 7.535 -5.852 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.890 5.875 -8.025 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.555 7.741 -7.681 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -4.042 8.670 -5.464 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.797 8.531 -5.729 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.956 7.346 -4.703 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.487 7.096 -6.570 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.315 5.705 -5.830 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.127 5.791 -7.597 1.00 0.09 H new ATOM 660 N LEU A 48 -5.745 4.946 -4.898 1.00 0.06 N ATOM 661 CA LEU A 48 -5.606 3.822 -4.016 1.00 0.06 C ATOM 662 C LEU A 48 -6.763 2.888 -4.219 1.00 0.08 C ATOM 663 O LEU A 48 -6.607 1.681 -4.321 1.00 0.09 O ATOM 664 CB LEU A 48 -5.583 4.358 -2.604 1.00 0.08 C ATOM 665 CG LEU A 48 -5.660 3.321 -1.505 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.646 2.220 -1.764 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.438 3.983 -0.159 1.00 0.10 C ATOM 0 H LEU A 48 -6.016 5.811 -4.430 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.689 3.268 -4.215 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.668 4.935 -2.469 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.417 5.050 -2.484 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.650 2.866 -1.494 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.706 1.476 -0.970 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.860 1.746 -2.722 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.643 2.647 -1.787 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.494 3.232 0.629 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.455 4.453 -0.143 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.205 4.740 0.005 1.00 0.10 H new ATOM 679 N GLU A 49 -7.904 3.499 -4.344 1.00 0.09 N ATOM 680 CA GLU A 49 -9.164 2.838 -4.538 1.00 0.12 C ATOM 681 C GLU A 49 -9.184 2.132 -5.880 1.00 0.12 C ATOM 682 O GLU A 49 -10.053 1.319 -6.169 1.00 0.15 O ATOM 683 CB GLU A 49 -10.203 3.933 -4.453 1.00 0.17 C ATOM 684 CG GLU A 49 -10.065 4.724 -3.163 1.00 0.30 C ATOM 685 CD GLU A 49 -9.257 5.999 -3.324 1.00 0.99 C ATOM 686 OE1 GLU A 49 -9.833 7.099 -3.242 1.00 1.32 O ATOM 687 OE2 GLU A 49 -8.040 5.904 -3.534 1.00 1.49 O1- ATOM 0 H GLU A 49 -7.987 4.515 -4.312 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.354 2.066 -3.793 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -10.099 4.603 -5.306 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.200 3.497 -4.510 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -11.058 4.976 -2.791 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -9.592 4.095 -2.408 1.00 0.30 H new ATOM 694 N GLN A 50 -8.189 2.466 -6.677 1.00 0.10 N ATOM 695 CA GLN A 50 -7.932 1.836 -7.947 1.00 0.11 C ATOM 696 C GLN A 50 -7.149 0.576 -7.763 1.00 0.10 C ATOM 697 O GLN A 50 -7.507 -0.488 -8.249 1.00 0.12 O ATOM 698 CB GLN A 50 -7.104 2.761 -8.790 1.00 0.11 C ATOM 699 CG GLN A 50 -7.918 3.480 -9.836 1.00 0.14 C ATOM 700 CD GLN A 50 -8.058 2.670 -11.115 1.00 0.21 C ATOM 701 OE1 GLN A 50 -8.232 3.228 -12.197 1.00 0.37 O ATOM 702 NE2 GLN A 50 -7.943 1.347 -11.014 1.00 0.20 N ATOM 0 H GLN A 50 -7.522 3.203 -6.449 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.888 1.611 -8.419 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.617 3.494 -8.147 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.314 2.191 -9.279 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.908 3.698 -9.436 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.449 4.437 -10.064 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -7.799 0.916 -10.101 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -7.999 0.765 -11.850 1.00 0.20 H new ATOM 711 N ILE A 51 -6.055 0.742 -7.070 1.00 0.09 N ATOM 712 CA ILE A 51 -5.138 -0.330 -6.793 1.00 0.09 C ATOM 713 C ILE A 51 -5.829 -1.351 -5.928 1.00 0.11 C ATOM 714 O ILE A 51 -5.584 -2.547 -6.016 1.00 0.16 O ATOM 715 CB ILE A 51 -3.924 0.223 -6.056 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.458 1.495 -6.749 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.816 -0.813 -6.006 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.497 2.294 -5.924 1.00 0.06 C ATOM 0 H ILE A 51 -5.772 1.639 -6.676 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.815 -0.794 -7.725 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.196 0.461 -5.028 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.985 1.234 -7.696 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.325 2.112 -6.985 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -1.957 -0.402 -5.476 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.172 -1.702 -5.485 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.522 -1.081 -7.021 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.202 3.188 -6.473 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.975 2.584 -4.988 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.614 1.692 -5.710 1.00 0.06 H new ATOM 730 N LEU A 52 -6.710 -0.837 -5.099 1.00 0.09 N ATOM 731 CA LEU A 52 -7.545 -1.643 -4.245 1.00 0.10 C ATOM 732 C LEU A 52 -8.622 -2.332 -5.042 1.00 0.11 C ATOM 733 O LEU A 52 -8.879 -3.525 -4.864 1.00 0.13 O ATOM 734 CB LEU A 52 -8.149 -0.755 -3.190 1.00 0.10 C ATOM 735 CG LEU A 52 -7.148 -0.274 -2.174 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.769 0.809 -1.331 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.689 -1.444 -1.338 1.00 0.10 C ATOM 0 H LEU A 52 -6.867 0.166 -5.000 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.943 -2.419 -3.773 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.611 0.107 -3.671 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.943 -1.298 -2.678 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.275 0.150 -2.669 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.044 1.158 -0.595 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.067 1.641 -1.969 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.645 0.413 -0.818 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -5.964 -1.102 -0.600 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.545 -1.885 -0.828 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.226 -2.192 -1.982 1.00 0.10 H new ATOM 749 N ALA A 53 -9.220 -1.584 -5.946 1.00 0.12 N ATOM 750 CA ALA A 53 -10.207 -2.141 -6.859 1.00 0.14 C ATOM 751 C ALA A 53 -9.552 -3.259 -7.644 1.00 0.15 C ATOM 752 O ALA A 53 -10.145 -4.305 -7.917 1.00 0.18 O ATOM 753 CB ALA A 53 -10.731 -1.070 -7.797 1.00 0.16 C ATOM 0 H ALA A 53 -9.042 -0.587 -6.071 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.055 -2.530 -6.295 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.468 -1.506 -8.472 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.197 -0.274 -7.216 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.905 -0.659 -8.378 1.00 0.16 H new ATOM 759 N THR A 54 -8.296 -3.015 -7.959 1.00 0.15 N ATOM 760 CA THR A 54 -7.452 -3.963 -8.612 1.00 0.16 C ATOM 761 C THR A 54 -7.159 -5.148 -7.696 1.00 0.15 C ATOM 762 O THR A 54 -7.474 -6.273 -8.048 1.00 0.17 O ATOM 763 CB THR A 54 -6.155 -3.262 -9.057 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.371 -2.584 -10.301 1.00 0.24 O ATOM 765 CG2 THR A 54 -4.978 -4.227 -9.183 1.00 0.24 C ATOM 0 H THR A 54 -7.834 -2.128 -7.758 1.00 0.15 H new ATOM 0 HA THR A 54 -7.960 -4.356 -9.493 1.00 0.16 H new ATOM 0 HB THR A 54 -5.894 -2.542 -8.281 1.00 0.18 H new ATOM 0 HG1 THR A 54 -6.790 -1.715 -10.131 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.090 -3.679 -9.499 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.789 -4.698 -8.218 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.213 -4.994 -9.921 1.00 0.24 H new ATOM 773 N SER A 55 -6.605 -4.887 -6.505 1.00 0.13 N ATOM 774 CA SER A 55 -6.206 -5.945 -5.587 1.00 0.13 C ATOM 775 C SER A 55 -7.331 -6.963 -5.376 1.00 0.11 C ATOM 776 O SER A 55 -7.094 -8.165 -5.382 1.00 0.13 O ATOM 777 CB SER A 55 -5.735 -5.353 -4.264 1.00 0.18 C ATOM 778 OG SER A 55 -6.545 -4.276 -3.862 1.00 0.90 O ATOM 0 H SER A 55 -6.425 -3.944 -6.159 1.00 0.13 H new ATOM 0 HA SER A 55 -5.371 -6.483 -6.036 1.00 0.13 H new ATOM 0 HB2 SER A 55 -5.747 -6.125 -3.495 1.00 0.18 H new ATOM 0 HB3 SER A 55 -4.703 -5.016 -4.362 1.00 0.18 H new ATOM 0 HG SER A 55 -7.446 -4.389 -4.230 1.00 0.90 H new ATOM 784 N ARG A 56 -8.557 -6.482 -5.237 1.00 0.10 N ATOM 785 CA ARG A 56 -9.710 -7.365 -5.087 1.00 0.10 C ATOM 786 C ARG A 56 -9.942 -8.174 -6.359 1.00 0.12 C ATOM 787 O ARG A 56 -10.129 -9.389 -6.305 1.00 0.17 O ATOM 788 CB ARG A 56 -10.952 -6.545 -4.776 1.00 0.11 C ATOM 789 CG ARG A 56 -10.784 -5.605 -3.615 1.00 0.14 C ATOM 790 CD ARG A 56 -11.625 -4.360 -3.818 1.00 0.17 C ATOM 791 NE ARG A 56 -12.995 -4.663 -4.234 1.00 1.28 N ATOM 792 CZ ARG A 56 -13.911 -3.731 -4.509 1.00 1.63 C ATOM 793 NH1 ARG A 56 -13.621 -2.445 -4.364 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.120 -4.091 -4.921 1.00 2.73 N ATOM 0 H ARG A 56 -8.782 -5.487 -5.225 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.509 -8.053 -4.266 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.227 -5.970 -5.660 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.780 -7.222 -4.566 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.077 -6.103 -2.690 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.735 -5.330 -3.510 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.650 -3.789 -2.890 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.153 -3.727 -4.570 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.266 -5.643 -4.319 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -12.695 -2.164 -4.041 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.324 -1.737 -4.575 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.349 -5.079 -5.027 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -15.820 -3.380 -5.131 1.00 2.73 H new ATOM 808 N SER A 57 -9.918 -7.489 -7.496 1.00 0.13 N ATOM 809 CA SER A 57 -10.104 -8.120 -8.795 1.00 0.17 C ATOM 810 C SER A 57 -9.030 -9.181 -9.042 1.00 0.18 C ATOM 811 O SER A 57 -9.301 -10.257 -9.583 1.00 0.22 O ATOM 812 CB SER A 57 -10.053 -7.046 -9.878 1.00 0.22 C ATOM 813 OG SER A 57 -10.304 -7.583 -11.168 1.00 0.55 O ATOM 0 H SER A 57 -9.769 -6.481 -7.542 1.00 0.13 H new ATOM 0 HA SER A 57 -11.073 -8.618 -8.819 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.789 -6.273 -9.657 1.00 0.22 H new ATOM 0 HB3 SER A 57 -9.074 -6.567 -9.868 1.00 0.22 H new ATOM 0 HG SER A 57 -10.264 -6.866 -11.834 1.00 0.55 H new ATOM 819 N ARG A 58 -7.817 -8.860 -8.621 1.00 0.18 N ATOM 820 CA ARG A 58 -6.665 -9.740 -8.755 1.00 0.21 C ATOM 821 C ARG A 58 -6.812 -10.965 -7.870 1.00 0.18 C ATOM 822 O ARG A 58 -6.316 -12.045 -8.180 1.00 0.22 O ATOM 823 CB ARG A 58 -5.435 -8.974 -8.325 1.00 0.24 C ATOM 824 CG ARG A 58 -5.255 -7.667 -9.064 1.00 0.27 C ATOM 825 CD ARG A 58 -4.245 -7.780 -10.186 1.00 0.37 C ATOM 826 NE ARG A 58 -4.344 -6.683 -11.147 1.00 1.25 N ATOM 827 CZ ARG A 58 -3.321 -6.250 -11.888 1.00 1.56 C ATOM 828 NH1 ARG A 58 -2.142 -6.856 -11.816 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -3.482 -5.223 -12.714 1.00 2.50 N ATOM 0 H ARG A 58 -7.601 -7.970 -8.171 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.585 -10.069 -9.791 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.496 -8.773 -7.255 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.554 -9.597 -8.483 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -6.214 -7.347 -9.471 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.933 -6.897 -8.363 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -3.240 -7.798 -9.764 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -4.390 -8.727 -10.706 1.00 0.37 H new ATOM 0 HE ARG A 58 -5.247 -6.222 -11.258 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -2.016 -7.654 -11.194 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -1.362 -6.523 -12.383 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -4.389 -4.762 -12.784 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -2.698 -4.895 -13.279 1.00 2.50 H new ATOM 843 N GLY A 59 -7.502 -10.766 -6.762 1.00 0.14 N ATOM 844 CA GLY A 59 -7.715 -11.834 -5.804 1.00 0.15 C ATOM 845 C GLY A 59 -6.826 -11.683 -4.591 1.00 0.18 C ATOM 846 O GLY A 59 -6.587 -12.639 -3.850 1.00 0.24 O ATOM 0 H GLY A 59 -7.924 -9.874 -6.504 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.759 -11.839 -5.491 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.520 -12.795 -6.281 1.00 0.15 H new ATOM 850 N TYR A 60 -6.339 -10.470 -4.393 1.00 0.16 N ATOM 851 CA TYR A 60 -5.534 -10.132 -3.236 1.00 0.17 C ATOM 852 C TYR A 60 -6.429 -9.963 -2.018 1.00 0.15 C ATOM 853 O TYR A 60 -6.169 -10.519 -0.950 1.00 0.18 O ATOM 854 CB TYR A 60 -4.775 -8.837 -3.512 1.00 0.16 C ATOM 855 CG TYR A 60 -3.587 -9.000 -4.433 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.561 -8.435 -5.700 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.497 -9.740 -4.030 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.472 -8.612 -6.535 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.407 -9.922 -4.843 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.416 -9.241 -6.147 1.00 0.28 C ATOM 861 OH TYR A 60 -0.311 -9.538 -6.926 1.00 0.35 O ATOM 0 H TYR A 60 -6.492 -9.691 -5.033 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.821 -10.933 -3.040 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.462 -8.112 -3.948 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.432 -8.421 -2.565 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.402 -7.849 -6.039 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.501 -10.189 -3.048 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.508 -8.213 -7.538 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.576 -10.540 -4.538 1.00 0.51 H new ATOM 0 HH TYR A 60 0.349 -10.021 -6.386 1.00 0.35 H new ATOM 871 N ILE A 61 -7.497 -9.194 -2.199 1.00 0.12 N ATOM 872 CA ILE A 61 -8.407 -8.859 -1.127 1.00 0.12 C ATOM 873 C ILE A 61 -9.849 -8.866 -1.588 1.00 0.11 C ATOM 874 O ILE A 61 -10.179 -9.280 -2.700 1.00 0.11 O ATOM 875 CB ILE A 61 -8.130 -7.449 -0.619 1.00 0.10 C ATOM 876 CG1 ILE A 61 -7.939 -6.530 -1.818 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.922 -7.420 0.305 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.056 -5.070 -1.482 1.00 0.11 C ATOM 0 H ILE A 61 -7.751 -8.787 -3.099 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.253 -9.609 -0.351 1.00 0.12 H new ATOM 0 HB ILE A 61 -8.978 -7.101 -0.029 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -6.958 -6.716 -2.255 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.679 -6.780 -2.578 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.752 -6.400 0.650 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.105 -8.067 1.163 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.043 -7.772 -0.234 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.909 -4.476 -2.384 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.046 -4.869 -1.073 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.298 -4.804 -0.745 1.00 0.11 H new ATOM 890 N THR A 62 -10.682 -8.378 -0.699 1.00 0.12 N ATOM 891 CA THR A 62 -12.080 -8.128 -0.962 1.00 0.12 C ATOM 892 C THR A 62 -12.461 -6.743 -0.451 1.00 0.13 C ATOM 893 O THR A 62 -11.964 -6.314 0.588 1.00 0.13 O ATOM 894 CB THR A 62 -12.961 -9.188 -0.278 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.222 -10.280 -1.169 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.264 -8.591 0.221 1.00 0.16 C ATOM 0 H THR A 62 -10.399 -8.138 0.251 1.00 0.12 H new ATOM 0 HA THR A 62 -12.243 -8.180 -2.039 1.00 0.12 H new ATOM 0 HB THR A 62 -12.413 -9.563 0.586 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.782 -10.945 -0.716 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.861 -9.368 0.698 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.050 -7.803 0.943 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.818 -8.173 -0.619 1.00 0.16 H new ATOM 904 N GLY A 63 -13.327 -6.063 -1.201 1.00 0.15 N ATOM 905 CA GLY A 63 -13.873 -4.775 -0.791 1.00 0.17 C ATOM 906 C GLY A 63 -12.855 -3.855 -0.156 1.00 0.17 C ATOM 907 O GLY A 63 -11.847 -3.497 -0.767 1.00 0.24 O ATOM 0 H GLY A 63 -13.667 -6.390 -2.105 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.304 -4.280 -1.661 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.686 -4.944 -0.085 1.00 0.17 H new ATOM 911 N ASP A 64 -13.125 -3.483 1.083 1.00 0.14 N ATOM 912 CA ASP A 64 -12.218 -2.662 1.855 1.00 0.14 C ATOM 913 C ASP A 64 -11.637 -3.470 3.005 1.00 0.11 C ATOM 914 O ASP A 64 -11.157 -2.923 3.993 1.00 0.13 O ATOM 915 CB ASP A 64 -12.931 -1.431 2.389 1.00 0.19 C ATOM 916 CG ASP A 64 -13.330 -0.466 1.292 1.00 1.30 C ATOM 917 OD1 ASP A 64 -12.490 0.353 0.869 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.496 -0.518 0.845 1.00 1.57 O1- ATOM 0 H ASP A 64 -13.978 -3.742 1.578 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.408 -2.334 1.204 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -13.821 -1.740 2.937 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -12.282 -0.919 3.099 1.00 0.19 H new ATOM 923 N GLN A 65 -11.696 -4.784 2.854 1.00 0.10 N ATOM 924 CA GLN A 65 -11.150 -5.729 3.809 1.00 0.10 C ATOM 925 C GLN A 65 -9.649 -5.862 3.642 1.00 0.08 C ATOM 926 O GLN A 65 -9.101 -6.945 3.736 1.00 0.09 O ATOM 927 CB GLN A 65 -11.805 -7.086 3.657 1.00 0.11 C ATOM 928 CG GLN A 65 -13.279 -6.996 3.345 1.00 0.16 C ATOM 929 CD GLN A 65 -14.145 -6.852 4.563 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.538 -7.834 5.193 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.477 -5.621 4.882 1.00 0.34 N ATOM 0 H GLN A 65 -12.134 -5.230 2.048 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.358 -5.347 4.808 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.304 -7.639 2.862 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.668 -7.655 4.576 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.451 -6.146 2.685 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.581 -7.889 2.799 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -14.126 -4.839 4.329 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.085 -5.448 5.682 1.00 0.34 H new ATOM 940 N TYR A 66 -9.008 -4.784 3.302 1.00 0.07 N ATOM 941 CA TYR A 66 -7.582 -4.799 3.075 1.00 0.06 C ATOM 942 C TYR A 66 -6.880 -4.095 4.207 1.00 0.05 C ATOM 943 O TYR A 66 -7.507 -3.387 4.983 1.00 0.05 O ATOM 944 CB TYR A 66 -7.245 -4.091 1.780 1.00 0.07 C ATOM 945 CG TYR A 66 -7.619 -2.630 1.790 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.668 -1.653 2.040 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.924 -2.230 1.559 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.010 -0.320 2.059 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.276 -0.898 1.581 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.318 0.050 1.831 1.00 0.09 C ATOM 951 OH TYR A 66 -8.664 1.374 1.846 1.00 0.11 O ATOM 0 H TYR A 66 -9.448 -3.873 3.173 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.254 -5.837 3.017 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.176 -4.185 1.589 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.761 -4.586 0.957 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.644 -1.942 2.223 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.680 -2.975 1.358 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.258 0.431 2.251 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.299 -0.603 1.403 1.00 0.09 H new ATOM 0 HH TYR A 66 -7.863 1.923 1.711 1.00 0.11 H new ATOM 961 N ILE A 67 -5.585 -4.267 4.288 1.00 0.05 N ATOM 962 CA ILE A 67 -4.808 -3.552 5.260 1.00 0.05 C ATOM 963 C ILE A 67 -3.644 -2.874 4.586 1.00 0.05 C ATOM 964 O ILE A 67 -2.650 -3.488 4.262 1.00 0.06 O ATOM 965 CB ILE A 67 -4.284 -4.475 6.370 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.440 -5.047 7.170 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.308 -3.731 7.269 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.007 -6.043 8.206 1.00 0.07 C ATOM 0 H ILE A 67 -5.049 -4.897 3.691 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.462 -2.811 5.719 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.747 -5.305 5.910 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -5.973 -4.232 7.659 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.144 -5.524 6.488 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.948 -4.402 8.049 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.464 -3.378 6.676 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.812 -2.880 7.727 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.881 -6.413 8.742 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.499 -6.876 7.720 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.326 -5.564 8.909 1.00 0.07 H new ATOM 980 N LEU A 68 -3.778 -1.610 4.374 1.00 0.05 N ATOM 981 CA LEU A 68 -2.736 -0.853 3.734 1.00 0.06 C ATOM 982 C LEU A 68 -1.875 -0.207 4.817 1.00 0.07 C ATOM 983 O LEU A 68 -2.339 -0.037 5.944 1.00 0.11 O ATOM 984 CB LEU A 68 -3.394 0.182 2.849 1.00 0.06 C ATOM 985 CG LEU A 68 -2.476 1.161 2.151 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.850 0.521 0.928 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.242 2.415 1.788 1.00 0.10 C ATOM 0 H LEU A 68 -4.602 -1.068 4.633 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.092 -1.481 3.119 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.976 -0.340 2.089 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.099 0.750 3.456 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.668 1.439 2.827 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.193 1.239 0.438 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.272 -0.353 1.230 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.634 0.216 0.235 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.575 3.116 1.286 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.066 2.158 1.123 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.637 2.875 2.694 1.00 0.10 H new ATOM 999 N GLU A 69 -0.631 0.119 4.504 1.00 0.07 N ATOM 1000 CA GLU A 69 0.254 0.750 5.476 1.00 0.08 C ATOM 1001 C GLU A 69 1.254 1.671 4.807 1.00 0.08 C ATOM 1002 O GLU A 69 1.689 1.428 3.682 1.00 0.09 O ATOM 1003 CB GLU A 69 1.001 -0.313 6.278 1.00 0.11 C ATOM 1004 CG GLU A 69 0.259 -0.775 7.517 1.00 0.17 C ATOM 1005 CD GLU A 69 0.314 0.244 8.636 1.00 0.42 C ATOM 1006 OE1 GLU A 69 1.073 0.037 9.607 1.00 0.93 O ATOM 1007 OE2 GLU A 69 -0.406 1.268 8.545 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.210 -0.041 3.589 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.367 1.347 6.144 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.190 -1.174 5.636 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.972 0.083 6.574 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.782 -0.974 7.261 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.687 -1.715 7.864 1.00 0.17 H new ATOM 1014 N ARG A 70 1.590 2.749 5.502 1.00 0.10 N ATOM 1015 CA ARG A 70 2.636 3.654 5.058 1.00 0.10 C ATOM 1016 C ARG A 70 3.990 3.042 5.314 1.00 0.09 C ATOM 1017 O ARG A 70 4.247 2.504 6.389 1.00 0.10 O ATOM 1018 CB ARG A 70 2.540 4.994 5.778 1.00 0.14 C ATOM 1019 CG ARG A 70 1.163 5.561 5.797 1.00 0.40 C ATOM 1020 CD ARG A 70 0.455 5.231 7.085 1.00 0.30 C ATOM 1021 NE ARG A 70 1.251 5.565 8.264 1.00 0.84 N ATOM 1022 CZ ARG A 70 1.302 4.830 9.376 1.00 1.21 C ATOM 1023 NH1 ARG A 70 0.647 3.677 9.454 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 2.014 5.252 10.415 1.00 1.74 N ATOM 0 H ARG A 70 1.149 3.018 6.381 1.00 0.10 H new ATOM 0 HA ARG A 70 2.506 3.823 3.989 1.00 0.10 H new ATOM 0 HB2 ARG A 70 2.888 4.872 6.804 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.211 5.705 5.296 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.211 6.643 5.672 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.593 5.168 4.955 1.00 0.40 H new ATOM 0 HD2 ARG A 70 -0.491 5.771 7.124 1.00 0.30 H new ATOM 0 HD3 ARG A 70 0.216 4.168 7.102 1.00 0.30 H new ATOM 0 HE ARG A 70 1.806 6.420 8.235 1.00 0.84 H new ATOM 0 HH11 ARG A 70 0.099 3.347 8.659 1.00 1.48 H new ATOM 0 HH12 ARG A 70 0.692 3.122 10.308 1.00 1.48 H new ATOM 0 HH21 ARG A 70 2.520 6.136 10.361 1.00 1.74 H new ATOM 0 HH22 ARG A 70 2.055 4.692 11.267 1.00 1.74 H new ATOM 1038 N VAL A 71 4.853 3.133 4.325 1.00 0.07 N ATOM 1039 CA VAL A 71 6.109 2.430 4.364 1.00 0.07 C ATOM 1040 C VAL A 71 7.290 3.344 4.121 1.00 0.07 C ATOM 1041 O VAL A 71 8.095 3.558 5.014 1.00 0.08 O ATOM 1042 CB VAL A 71 6.112 1.327 3.309 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.351 0.475 3.421 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.863 0.482 3.419 1.00 0.11 C ATOM 0 H VAL A 71 4.703 3.690 3.483 1.00 0.07 H new ATOM 0 HA VAL A 71 6.211 2.009 5.364 1.00 0.07 H new ATOM 0 HB VAL A 71 6.119 1.798 2.326 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.328 -0.303 2.658 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.235 1.097 3.278 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.388 0.014 4.408 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.884 -0.299 2.659 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.819 0.025 4.407 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.985 1.110 3.270 1.00 0.11 H new ATOM 1054 N ASN A 72 7.394 3.887 2.921 1.00 0.06 N ATOM 1055 CA ASN A 72 8.617 4.569 2.531 1.00 0.07 C ATOM 1056 C ASN A 72 8.338 5.765 1.654 1.00 0.07 C ATOM 1057 O ASN A 72 7.285 5.860 1.032 1.00 0.08 O ATOM 1058 CB ASN A 72 9.499 3.588 1.791 1.00 0.10 C ATOM 1059 CG ASN A 72 10.933 4.036 1.595 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.239 4.834 0.720 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.830 3.474 2.387 1.00 0.14 N ATOM 0 H ASN A 72 6.662 3.871 2.211 1.00 0.06 H new ATOM 0 HA ASN A 72 9.114 4.934 3.430 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.501 2.643 2.334 1.00 0.10 H new ATOM 0 HB3 ASN A 72 9.059 3.393 0.813 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.819 3.701 2.280 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.534 2.813 3.105 1.00 0.14 H new ATOM 1068 N ILE A 73 9.289 6.678 1.605 1.00 0.08 N ATOM 1069 CA ILE A 73 9.206 7.788 0.667 1.00 0.08 C ATOM 1070 C ILE A 73 10.387 7.746 -0.291 1.00 0.09 C ATOM 1071 O ILE A 73 11.529 7.989 0.095 1.00 0.11 O ATOM 1072 CB ILE A 73 9.141 9.181 1.344 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.829 9.370 2.110 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.272 10.271 0.294 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.751 10.682 2.869 1.00 0.10 C ATOM 0 H ILE A 73 10.121 6.677 2.195 1.00 0.08 H new ATOM 0 HA ILE A 73 8.266 7.659 0.131 1.00 0.08 H new ATOM 0 HB ILE A 73 9.966 9.246 2.054 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.997 9.316 1.408 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.706 8.546 2.813 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.226 11.248 0.776 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.226 10.166 -0.222 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.458 10.182 -0.426 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.794 10.746 3.387 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.562 10.730 3.596 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.841 11.513 2.169 1.00 0.10 H new ATOM 1087 N VAL A 74 10.100 7.412 -1.537 1.00 0.10 N ATOM 1088 CA VAL A 74 11.125 7.357 -2.571 1.00 0.13 C ATOM 1089 C VAL A 74 10.868 8.443 -3.595 1.00 0.15 C ATOM 1090 O VAL A 74 9.902 8.352 -4.348 1.00 0.15 O ATOM 1091 CB VAL A 74 11.149 5.990 -3.294 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.196 5.978 -4.397 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.400 4.863 -2.311 1.00 0.24 C ATOM 0 H VAL A 74 9.163 7.173 -1.861 1.00 0.10 H new ATOM 0 HA VAL A 74 12.089 7.502 -2.083 1.00 0.13 H new ATOM 0 HB VAL A 74 10.171 5.835 -3.750 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.193 5.006 -4.890 1.00 0.18 H new ATOM 0 HG12 VAL A 74 11.966 6.755 -5.125 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.180 6.164 -3.967 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.412 3.912 -2.843 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.361 5.016 -1.819 1.00 0.24 H new ATOM 0 HG23 VAL A 74 10.608 4.850 -1.563 1.00 0.24 H new ATOM 1103 N ASN A 75 11.695 9.487 -3.588 1.00 0.20 N ATOM 1104 CA ASN A 75 11.541 10.613 -4.517 1.00 0.25 C ATOM 1105 C ASN A 75 10.257 11.394 -4.193 1.00 0.20 C ATOM 1106 O ASN A 75 9.885 12.355 -4.869 1.00 0.25 O ATOM 1107 CB ASN A 75 11.521 10.050 -5.959 1.00 0.29 C ATOM 1108 CG ASN A 75 10.794 10.910 -6.976 1.00 0.33 C ATOM 1109 OD1 ASN A 75 11.409 11.694 -7.701 1.00 0.39 O ATOM 1110 ND2 ASN A 75 9.472 10.793 -7.004 1.00 0.31 N ATOM 0 H ASN A 75 12.483 9.580 -2.947 1.00 0.20 H new ATOM 0 HA ASN A 75 12.373 11.310 -4.419 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.549 9.911 -6.293 1.00 0.29 H new ATOM 0 HB3 ASN A 75 11.056 9.064 -5.941 1.00 0.29 H new ATOM 0 HD21 ASN A 75 8.923 11.366 -7.645 1.00 0.31 H new ATOM 0 HD22 ASN A 75 9.005 10.130 -6.385 1.00 0.31 H new ATOM 1117 N GLY A 76 9.650 11.055 -3.075 1.00 0.13 N ATOM 1118 CA GLY A 76 8.347 11.588 -2.765 1.00 0.10 C ATOM 1119 C GLY A 76 7.228 10.756 -3.364 1.00 0.09 C ATOM 1120 O GLY A 76 6.093 11.203 -3.446 1.00 0.11 O ATOM 0 H GLY A 76 10.035 10.420 -2.375 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.224 11.634 -1.683 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.277 12.610 -3.138 1.00 0.10 H new ATOM 1124 N ASN A 77 7.545 9.534 -3.770 1.00 0.09 N ATOM 1125 CA ASN A 77 6.565 8.635 -4.374 1.00 0.10 C ATOM 1126 C ASN A 77 5.958 7.716 -3.332 1.00 0.09 C ATOM 1127 O ASN A 77 5.715 6.551 -3.611 1.00 0.10 O ATOM 1128 CB ASN A 77 7.181 7.818 -5.508 1.00 0.14 C ATOM 1129 CG ASN A 77 7.145 8.556 -6.831 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.314 9.435 -7.041 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.025 8.186 -7.737 1.00 0.36 N ATOM 0 H ASN A 77 8.482 9.138 -3.692 1.00 0.09 H new ATOM 0 HA ASN A 77 5.772 9.253 -4.795 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.214 7.574 -5.258 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.645 6.874 -5.606 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.033 8.634 -8.653 1.00 0.36 H new ATOM 0 HD22 ASN A 77 8.699 7.451 -7.523 1.00 0.36 H new ATOM 1138 N GLY A 78 5.724 8.282 -2.146 1.00 0.07 N ATOM 1139 CA GLY A 78 5.331 7.532 -0.943 1.00 0.07 C ATOM 1140 C GLY A 78 4.722 6.173 -1.205 1.00 0.06 C ATOM 1141 O GLY A 78 3.646 6.052 -1.797 1.00 0.08 O ATOM 0 H GLY A 78 5.802 9.287 -1.988 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.210 7.403 -0.311 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.616 8.130 -0.378 1.00 0.07 H new ATOM 1145 N TYR A 79 5.418 5.155 -0.750 1.00 0.06 N ATOM 1146 CA TYR A 79 5.027 3.784 -1.001 1.00 0.05 C ATOM 1147 C TYR A 79 4.188 3.249 0.127 1.00 0.06 C ATOM 1148 O TYR A 79 4.495 3.429 1.310 1.00 0.06 O ATOM 1149 CB TYR A 79 6.245 2.889 -1.220 1.00 0.06 C ATOM 1150 CG TYR A 79 6.894 3.083 -2.572 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.953 2.045 -3.492 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.442 4.306 -2.935 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.530 2.213 -4.717 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.026 4.491 -4.169 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.069 3.437 -5.063 1.00 0.15 C ATOM 1156 OH TYR A 79 8.648 3.603 -6.297 1.00 0.19 O ATOM 0 H TYR A 79 6.269 5.253 -0.197 1.00 0.06 H new ATOM 0 HA TYR A 79 4.431 3.778 -1.913 1.00 0.05 H new ATOM 0 HB2 TYR A 79 6.979 3.089 -0.440 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.945 1.846 -1.115 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.533 1.084 -3.233 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.410 5.129 -2.236 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.565 1.390 -5.415 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.446 5.450 -4.435 1.00 0.15 H new ATOM 0 HH TYR A 79 8.977 4.522 -6.383 1.00 0.19 H new ATOM 1166 N TYR A 80 3.127 2.599 -0.269 1.00 0.07 N ATOM 1167 CA TYR A 80 2.195 1.994 0.642 1.00 0.07 C ATOM 1168 C TYR A 80 2.122 0.523 0.353 1.00 0.09 C ATOM 1169 O TYR A 80 2.070 0.129 -0.800 1.00 0.13 O ATOM 1170 CB TYR A 80 0.817 2.604 0.454 1.00 0.07 C ATOM 1171 CG TYR A 80 0.660 3.980 1.029 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.165 5.100 0.380 1.00 0.09 C ATOM 1173 CD2 TYR A 80 -0.018 4.154 2.221 1.00 0.09 C ATOM 1174 CE1 TYR A 80 0.994 6.361 0.913 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.192 5.410 2.760 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.313 6.509 2.103 1.00 0.11 C ATOM 1177 OH TYR A 80 0.134 7.760 2.638 1.00 0.16 O ATOM 0 H TYR A 80 2.882 2.473 -1.251 1.00 0.07 H new ATOM 0 HA TYR A 80 2.526 2.164 1.666 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.593 2.642 -0.612 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.078 1.947 0.911 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.697 4.982 -0.552 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.417 3.293 2.737 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.391 7.226 0.402 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.722 5.532 3.693 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.010 8.407 1.916 1.00 0.16 H new ATOM 1187 N ASN A 81 2.120 -0.296 1.366 1.00 0.10 N ATOM 1188 CA ASN A 81 1.983 -1.716 1.115 1.00 0.14 C ATOM 1189 C ASN A 81 0.595 -2.189 1.489 1.00 0.08 C ATOM 1190 O ASN A 81 -0.025 -1.684 2.420 1.00 0.11 O ATOM 1191 CB ASN A 81 3.074 -2.571 1.781 1.00 0.32 C ATOM 1192 CG ASN A 81 3.312 -2.271 3.242 1.00 0.60 C ATOM 1193 OD1 ASN A 81 2.449 -1.753 3.941 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.509 -2.602 3.714 1.00 0.33 N ATOM 0 H ASN A 81 2.208 -0.025 2.345 1.00 0.10 H new ATOM 0 HA ASN A 81 2.125 -1.856 0.043 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.804 -3.622 1.680 1.00 0.32 H new ATOM 0 HB3 ASN A 81 4.009 -2.429 1.239 1.00 0.32 H new ATOM 0 HD21 ASN A 81 4.738 -2.427 4.692 1.00 0.33 H new ATOM 0 HD22 ASN A 81 5.199 -3.032 3.098 1.00 0.33 H new ATOM 1201 N LEU A 82 0.111 -3.142 0.725 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.224 -3.664 0.895 1.00 0.06 C ATOM 1203 C LEU A 82 -1.142 -5.023 1.553 1.00 0.06 C ATOM 1204 O LEU A 82 -0.316 -5.863 1.186 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.908 -3.803 -0.462 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.331 -3.248 -0.565 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.174 -4.128 -1.473 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.980 -3.118 0.803 1.00 0.08 C ATOM 0 H LEU A 82 0.635 -3.578 -0.034 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.802 -2.980 1.517 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.291 -3.303 -1.209 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.933 -4.860 -0.725 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.270 -2.249 -0.997 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.184 -3.722 -1.538 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.730 -4.156 -2.468 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.214 -5.138 -1.066 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -4.989 -2.721 0.691 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -4.026 -4.098 1.278 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.391 -2.442 1.422 1.00 0.08 H new ATOM 1220 N TYR A 83 -1.982 -5.210 2.533 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.034 -6.427 3.301 1.00 0.06 C ATOM 1222 C TYR A 83 -3.435 -6.989 3.290 1.00 0.06 C ATOM 1223 O TYR A 83 -4.402 -6.290 2.990 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.622 -6.137 4.744 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.174 -5.775 4.902 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.809 -6.721 4.711 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.210 -4.485 5.248 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.135 -6.404 4.858 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.542 -4.159 5.397 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.502 -5.126 5.201 1.00 0.16 C ATOM 1231 OH TYR A 83 3.833 -4.823 5.356 1.00 0.19 O ATOM 0 H TYR A 83 -2.663 -4.509 2.827 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.352 -7.153 2.859 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.234 -5.322 5.129 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.836 -7.013 5.356 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.531 -7.729 4.441 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.544 -3.728 5.402 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.891 -7.160 4.704 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.829 -3.153 5.665 1.00 0.15 H new ATOM 0 HH TYR A 83 4.379 -5.558 5.006 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.522 -8.259 3.596 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.786 -8.918 3.797 1.00 0.08 C ATOM 1243 C LYS A 84 -5.306 -8.562 5.179 1.00 0.08 C ATOM 1244 O LYS A 84 -4.543 -8.055 5.993 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.577 -10.422 3.655 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.263 -10.830 2.238 1.00 0.10 C ATOM 1247 CD LYS A 84 -4.041 -12.326 2.105 1.00 0.11 C ATOM 1248 CE LYS A 84 -4.082 -12.752 0.657 1.00 0.17 C ATOM 1249 NZ LYS A 84 -3.947 -14.223 0.490 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.712 -8.868 3.713 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.520 -8.597 3.058 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.763 -10.736 4.309 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.474 -10.943 3.990 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.082 -10.527 1.585 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.372 -10.301 1.899 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.078 -12.595 2.540 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.805 -12.862 2.667 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -5.022 -12.424 0.212 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.280 -12.253 0.112 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -3.981 -14.462 -0.522 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -3.039 -14.536 0.889 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -4.726 -14.702 0.986 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.592 -8.808 5.473 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.150 -8.534 6.798 1.00 0.09 C ATOM 1265 C PRO A 85 -6.387 -9.249 7.893 1.00 0.10 C ATOM 1266 O PRO A 85 -6.456 -8.881 9.064 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.564 -9.082 6.749 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.892 -9.276 5.308 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.593 -9.337 4.541 1.00 0.10 C ATOM 0 HA PRO A 85 -7.101 -7.468 7.022 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.634 -10.024 7.293 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.265 -8.390 7.217 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.462 -10.194 5.167 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.512 -8.457 4.944 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.356 -10.358 4.242 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.641 -8.741 3.630 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.660 -10.274 7.501 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.904 -11.060 8.425 1.00 0.13 C ATOM 1279 C ASP A 86 -3.463 -10.591 8.459 1.00 0.11 C ATOM 1280 O ASP A 86 -2.636 -11.149 9.172 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.970 -12.513 8.029 1.00 0.20 C ATOM 1282 CG ASP A 86 -4.392 -12.775 6.659 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -3.155 -12.872 6.541 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -5.172 -12.902 5.697 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.583 -10.578 6.530 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.329 -10.942 9.422 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -4.432 -13.110 8.765 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -6.009 -12.843 8.049 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.176 -9.558 7.677 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.867 -8.948 7.685 1.00 0.10 C ATOM 1291 C GLY A 87 -0.937 -9.510 6.627 1.00 0.10 C ATOM 1292 O GLY A 87 0.205 -9.085 6.520 1.00 0.11 O ATOM 0 H GLY A 87 -3.838 -9.130 7.030 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -1.973 -7.874 7.532 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.415 -9.087 8.667 1.00 0.10 H new ATOM 1296 N THR A 88 -1.415 -10.442 5.823 1.00 0.10 N ATOM 1297 CA THR A 88 -0.586 -11.020 4.781 1.00 0.10 C ATOM 1298 C THR A 88 -0.216 -9.993 3.715 1.00 0.08 C ATOM 1299 O THR A 88 -1.088 -9.377 3.103 1.00 0.09 O ATOM 1300 CB THR A 88 -1.278 -12.219 4.126 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.215 -13.354 4.994 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.643 -12.543 2.789 1.00 0.13 C ATOM 0 H THR A 88 -2.364 -10.812 5.870 1.00 0.10 H new ATOM 0 HA THR A 88 0.332 -11.359 5.261 1.00 0.10 H new ATOM 0 HB THR A 88 -2.323 -11.963 3.952 1.00 0.13 H new ATOM 0 HG1 THR A 88 -2.044 -13.416 5.512 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.151 -13.398 2.343 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.731 -11.682 2.126 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.410 -12.782 2.935 1.00 0.13 H new ATOM 1310 N TYR A 89 1.088 -9.799 3.528 1.00 0.08 N ATOM 1311 CA TYR A 89 1.601 -8.926 2.475 1.00 0.08 C ATOM 1312 C TYR A 89 1.106 -9.327 1.098 1.00 0.08 C ATOM 1313 O TYR A 89 1.219 -10.479 0.673 1.00 0.11 O ATOM 1314 CB TYR A 89 3.124 -8.939 2.495 1.00 0.09 C ATOM 1315 CG TYR A 89 3.747 -8.034 1.458 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.213 -8.544 0.254 1.00 0.11 C ATOM 1317 CD2 TYR A 89 3.858 -6.668 1.679 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.771 -7.719 -0.700 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.417 -5.837 0.730 1.00 0.15 C ATOM 1320 CZ TYR A 89 4.872 -6.368 -0.457 1.00 0.16 C ATOM 1321 OH TYR A 89 5.416 -5.542 -1.411 1.00 0.20 O ATOM 0 H TYR A 89 1.812 -10.238 4.096 1.00 0.08 H new ATOM 0 HA TYR A 89 1.229 -7.921 2.675 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.469 -8.637 3.484 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.473 -9.959 2.333 1.00 0.09 H new ATOM 0 HD1 TYR A 89 4.137 -9.604 0.061 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.501 -6.249 2.608 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.127 -8.131 -1.633 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.497 -4.776 0.917 1.00 0.15 H new ATOM 0 HH TYR A 89 5.241 -5.911 -2.302 1.00 0.20 H new ATOM 1331 N LEU A 90 0.564 -8.337 0.419 1.00 0.07 N ATOM 1332 CA LEU A 90 0.086 -8.474 -0.938 1.00 0.07 C ATOM 1333 C LEU A 90 1.065 -7.823 -1.915 1.00 0.06 C ATOM 1334 O LEU A 90 1.618 -8.490 -2.789 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.273 -7.810 -1.022 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.327 -8.420 -0.104 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.537 -7.517 -0.029 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.720 -9.805 -0.584 1.00 0.12 C ATOM 0 H LEU A 90 0.442 -7.400 0.803 1.00 0.07 H new ATOM 0 HA LEU A 90 0.005 -9.527 -1.206 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.164 -6.753 -0.779 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.628 -7.865 -2.051 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.903 -8.517 0.896 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.283 -7.962 0.629 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.241 -6.544 0.364 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.960 -7.392 -1.026 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.473 -10.222 0.085 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.128 -9.738 -1.593 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.842 -10.451 -0.590 1.00 0.12 H new ATOM 1350 N PHE A 91 1.282 -6.519 -1.741 1.00 0.06 N ATOM 1351 CA PHE A 91 2.230 -5.764 -2.575 1.00 0.06 C ATOM 1352 C PHE A 91 2.553 -4.411 -1.974 1.00 0.05 C ATOM 1353 O PHE A 91 1.967 -4.004 -0.976 1.00 0.07 O ATOM 1354 CB PHE A 91 1.716 -5.532 -4.000 1.00 0.07 C ATOM 1355 CG PHE A 91 0.318 -4.993 -4.106 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.746 -5.848 -4.325 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.068 -3.625 -4.016 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -2.027 -5.362 -4.447 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.210 -3.140 -4.135 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.262 -4.004 -4.353 1.00 0.13 C ATOM 0 H PHE A 91 0.815 -5.958 -1.029 1.00 0.06 H new ATOM 0 HA PHE A 91 3.125 -6.384 -2.614 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.392 -4.840 -4.503 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.764 -6.476 -4.543 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.569 -6.911 -4.401 1.00 0.12 H new ATOM 0 HD2 PHE A 91 0.887 -2.941 -3.851 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.849 -6.042 -4.616 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.392 -2.078 -4.058 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.267 -3.620 -4.450 1.00 0.13 H new ATOM 1370 N THR A 92 3.493 -3.731 -2.606 1.00 0.05 N ATOM 1371 CA THR A 92 3.823 -2.360 -2.274 1.00 0.05 C ATOM 1372 C THR A 92 3.489 -1.473 -3.454 1.00 0.05 C ATOM 1373 O THR A 92 3.908 -1.735 -4.572 1.00 0.09 O ATOM 1374 CB THR A 92 5.307 -2.184 -1.917 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.637 -2.939 -0.739 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.614 -0.714 -1.699 1.00 0.09 C ATOM 0 H THR A 92 4.051 -4.118 -3.367 1.00 0.05 H new ATOM 0 HA THR A 92 3.239 -2.082 -1.397 1.00 0.05 H new ATOM 0 HB THR A 92 5.911 -2.556 -2.744 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.522 -3.895 -0.921 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.668 -0.596 -1.446 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.395 -0.158 -2.610 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.000 -0.331 -0.884 1.00 0.09 H new ATOM 1384 N LEU A 93 2.733 -0.436 -3.207 1.00 0.05 N ATOM 1385 CA LEU A 93 2.259 0.416 -4.261 1.00 0.05 C ATOM 1386 C LEU A 93 2.834 1.810 -4.129 1.00 0.06 C ATOM 1387 O LEU A 93 3.371 2.196 -3.089 1.00 0.06 O ATOM 1388 CB LEU A 93 0.744 0.450 -4.229 1.00 0.05 C ATOM 1389 CG LEU A 93 0.151 1.223 -3.063 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.219 2.647 -3.477 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.043 0.470 -2.516 1.00 0.06 C ATOM 0 H LEU A 93 2.430 -0.160 -2.273 1.00 0.05 H new ATOM 0 HA LEU A 93 2.589 0.017 -5.220 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.384 0.890 -5.159 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.372 -0.574 -4.195 1.00 0.05 H new ATOM 0 HG LEU A 93 0.898 1.310 -2.274 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.641 3.176 -2.623 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.673 3.169 -3.823 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.954 2.613 -4.281 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.470 1.023 -1.679 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.793 0.360 -3.299 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.727 -0.516 -2.176 1.00 0.06 H new ATOM 1403 N ASN A 94 2.699 2.542 -5.199 1.00 0.06 N ATOM 1404 CA ASN A 94 3.129 3.917 -5.284 1.00 0.08 C ATOM 1405 C ASN A 94 1.883 4.766 -5.207 1.00 0.09 C ATOM 1406 O ASN A 94 0.986 4.601 -6.005 1.00 0.15 O ATOM 1407 CB ASN A 94 3.817 4.133 -6.633 1.00 0.09 C ATOM 1408 CG ASN A 94 4.679 5.379 -6.716 1.00 0.19 C ATOM 1409 OD1 ASN A 94 5.665 5.416 -7.448 1.00 1.15 O ATOM 1410 ND2 ASN A 94 4.329 6.399 -5.968 1.00 0.87 N ATOM 0 H ASN A 94 2.277 2.194 -6.060 1.00 0.06 H new ATOM 0 HA ASN A 94 3.825 4.175 -4.486 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.437 3.264 -6.852 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.054 4.184 -7.410 1.00 0.09 H new ATOM 0 HD21 ASN A 94 4.882 7.256 -5.983 1.00 0.87 H new ATOM 0 HD22 ASN A 94 3.504 6.335 -5.371 1.00 0.87 H new ATOM 1417 N CYS A 95 1.808 5.645 -4.239 1.00 0.07 N ATOM 1418 CA CYS A 95 0.632 6.472 -4.075 1.00 0.07 C ATOM 1419 C CYS A 95 0.582 7.510 -5.183 1.00 0.08 C ATOM 1420 O CYS A 95 -0.446 7.721 -5.816 1.00 0.10 O ATOM 1421 CB CYS A 95 0.676 7.152 -2.710 1.00 0.09 C ATOM 1422 SG CYS A 95 1.948 8.416 -2.549 1.00 0.18 S ATOM 0 H CYS A 95 2.544 5.808 -3.552 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.264 5.854 -4.133 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.296 7.604 -2.512 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.836 6.393 -1.944 1.00 0.09 H new ATOM 0 HG CYS A 95 3.094 7.850 -2.310 1.00 0.18 H new ATOM 1428 N LYS A 96 1.738 8.096 -5.445 1.00 0.09 N ATOM 1429 CA LYS A 96 1.871 9.213 -6.356 1.00 0.10 C ATOM 1430 C LYS A 96 1.589 8.806 -7.788 1.00 0.11 C ATOM 1431 O LYS A 96 1.201 9.631 -8.612 1.00 0.17 O ATOM 1432 CB LYS A 96 3.273 9.798 -6.220 1.00 0.10 C ATOM 1433 CG LYS A 96 3.443 10.627 -4.983 1.00 0.11 C ATOM 1434 CD LYS A 96 3.025 12.059 -5.202 1.00 0.18 C ATOM 1435 CE LYS A 96 3.790 12.944 -4.256 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.492 14.385 -4.446 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.620 7.803 -5.024 1.00 0.09 H new ATOM 0 HA LYS A 96 1.132 9.970 -6.095 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.000 8.986 -6.210 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.492 10.411 -7.095 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.853 10.197 -4.174 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.486 10.598 -4.667 1.00 0.11 H new ATOM 0 HD2 LYS A 96 3.219 12.354 -6.233 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.953 12.168 -5.036 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.553 12.661 -3.230 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.858 12.778 -4.394 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 4.046 14.946 -3.768 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.742 14.666 -5.415 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.478 14.554 -4.287 1.00 0.31 H new ATOM 1450 N THR A 97 1.777 7.534 -8.086 1.00 0.11 N ATOM 1451 CA THR A 97 1.557 7.051 -9.429 1.00 0.11 C ATOM 1452 C THR A 97 0.430 6.029 -9.454 1.00 0.11 C ATOM 1453 O THR A 97 -0.178 5.772 -10.495 1.00 0.12 O ATOM 1454 CB THR A 97 2.847 6.431 -9.983 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.051 5.129 -9.422 1.00 0.11 O ATOM 1456 CG2 THR A 97 4.032 7.316 -9.628 1.00 0.15 C ATOM 0 H THR A 97 2.079 6.824 -7.419 1.00 0.11 H new ATOM 0 HA THR A 97 1.270 7.894 -10.058 1.00 0.11 H new ATOM 0 HB THR A 97 2.758 6.347 -11.066 1.00 0.12 H new ATOM 0 HG1 THR A 97 3.922 4.782 -9.708 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.947 6.874 -10.022 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.890 8.305 -10.063 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.109 7.404 -8.544 1.00 0.15 H new ATOM 1464 N GLY A 98 0.160 5.441 -8.289 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.880 4.446 -8.177 1.00 0.10 C ATOM 1466 C GLY A 98 -0.442 3.124 -8.766 1.00 0.10 C ATOM 1467 O GLY A 98 -1.262 2.250 -9.046 1.00 0.13 O ATOM 0 H GLY A 98 0.651 5.643 -7.418 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.144 4.310 -7.128 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.777 4.795 -8.689 1.00 0.10 H new ATOM 1471 N TYR A 99 0.859 3.000 -8.989 1.00 0.10 N ATOM 1472 CA TYR A 99 1.447 1.769 -9.460 1.00 0.12 C ATOM 1473 C TYR A 99 1.616 0.826 -8.286 1.00 0.09 C ATOM 1474 O TYR A 99 1.490 1.239 -7.140 1.00 0.09 O ATOM 1475 CB TYR A 99 2.802 2.064 -10.097 1.00 0.18 C ATOM 1476 CG TYR A 99 3.106 1.200 -11.294 1.00 0.33 C ATOM 1477 CD1 TYR A 99 2.466 1.395 -12.511 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.043 0.184 -11.198 1.00 0.48 C ATOM 1479 CE1 TYR A 99 2.753 0.594 -13.601 1.00 0.60 C ATOM 1480 CE2 TYR A 99 4.338 -0.618 -12.280 1.00 0.64 C ATOM 1481 CZ TYR A 99 3.641 -0.372 -13.520 1.00 0.69 C ATOM 1482 OH TYR A 99 3.981 -1.216 -14.558 1.00 0.85 O ATOM 0 H TYR A 99 1.531 3.754 -8.846 1.00 0.10 H new ATOM 0 HA TYR A 99 0.801 1.306 -10.206 1.00 0.12 H new ATOM 0 HB2 TYR A 99 2.833 3.111 -10.398 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.584 1.924 -9.350 1.00 0.18 H new ATOM 0 HD1 TYR A 99 1.734 2.183 -12.607 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.551 0.017 -10.260 1.00 0.48 H new ATOM 0 HE1 TYR A 99 2.239 0.765 -14.535 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.070 -1.408 -12.202 1.00 0.64 H new ATOM 0 HH TYR A 99 4.664 -1.850 -14.254 1.00 0.85 H new ATOM 1492 N PHE A 100 1.901 -0.427 -8.562 1.00 0.10 N ATOM 1493 CA PHE A 100 2.112 -1.394 -7.504 1.00 0.09 C ATOM 1494 C PHE A 100 3.127 -2.444 -7.904 1.00 0.10 C ATOM 1495 O PHE A 100 3.199 -2.865 -9.060 1.00 0.13 O ATOM 1496 CB PHE A 100 0.793 -2.029 -7.052 1.00 0.10 C ATOM 1497 CG PHE A 100 -0.075 -2.524 -8.171 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.906 -1.658 -8.860 1.00 0.13 C ATOM 1499 CD2 PHE A 100 -0.047 -3.858 -8.537 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.700 -2.116 -9.894 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.839 -4.325 -9.569 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.695 -3.427 -10.237 1.00 0.20 C ATOM 0 H PHE A 100 1.992 -0.801 -9.507 1.00 0.10 H new ATOM 0 HA PHE A 100 2.523 -0.856 -6.650 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.015 -2.862 -6.386 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.232 -1.297 -6.471 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.934 -0.614 -8.587 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.601 -4.542 -8.010 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.330 -1.424 -10.433 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.802 -5.365 -9.860 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.346 -3.783 -11.021 1.00 0.20 H new ATOM 1512 N VAL A 101 3.921 -2.837 -6.927 1.00 0.08 N ATOM 1513 CA VAL A 101 5.038 -3.727 -7.134 1.00 0.09 C ATOM 1514 C VAL A 101 4.765 -5.053 -6.438 1.00 0.10 C ATOM 1515 O VAL A 101 4.186 -5.084 -5.354 1.00 0.12 O ATOM 1516 CB VAL A 101 6.346 -3.095 -6.580 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.331 -1.586 -6.758 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.566 -3.447 -5.118 1.00 0.10 C ATOM 0 H VAL A 101 3.804 -2.542 -5.958 1.00 0.08 H new ATOM 0 HA VAL A 101 5.163 -3.897 -8.203 1.00 0.09 H new ATOM 0 HB VAL A 101 7.175 -3.511 -7.153 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.255 -1.164 -6.364 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.245 -1.345 -7.818 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.482 -1.165 -6.220 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.490 -2.987 -4.768 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.729 -3.078 -4.525 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.637 -4.529 -5.011 1.00 0.10 H new ATOM 1528 N GLY A 102 5.156 -6.138 -7.069 1.00 0.11 N ATOM 1529 CA GLY A 102 4.982 -7.442 -6.461 1.00 0.16 C ATOM 1530 C GLY A 102 6.255 -7.899 -5.785 1.00 0.23 C ATOM 1531 O GLY A 102 7.211 -7.132 -5.704 1.00 0.49 O ATOM 0 H GLY A 102 5.591 -6.147 -7.991 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.173 -7.402 -5.732 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.690 -8.166 -7.222 1.00 0.16 H new