USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 853 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 Single : A 3 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.181) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 58:sc= 0.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= -0.28 (180deg=-0.361) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= -1.61 (180deg=-4.08!) USER MOD Single : A 43 HIS : no HD1:sc= -0.674 K(o=-0.67,f=-0.11) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 110:sc= 0.344 USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= -2.01 (180deg=-4.61!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.807 K(o=-0.81,f=-1.6) USER MOD Single : A 63 GLN : amide:sc= -6.22! C(o=-6.2!,f=-7.2!) USER MOD Single : A 67 SER OG : rot 76:sc= 0.854 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 76 THR OG1 : rot -34:sc= -2.85! USER MOD Single : A 78 GLN : amide:sc= -4.1! C(o=-4.1!,f=-4.5!) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -6.11! (180deg=-6.72!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.28! K(o=-3.3!,f=-0.39) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 123:sc= 1.17 USER MOD Single : A 93 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.6!) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= 0.0813! (180deg=-0.542!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 74:sc= 0.306 USER MOD Single : A 102 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.3!) USER MOD Single : B 5 TYR OH : rot -165:sc= -1.69 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.060 -1.899 8.889 1.00 0.24 N ATOM 21 CA VAL A 2 -2.753 -1.760 8.179 1.00 0.19 C ATOM 22 C VAL A 2 -1.921 -3.030 8.397 1.00 0.22 C ATOM 23 O VAL A 2 -2.192 -3.815 9.284 1.00 0.28 O ATOM 24 CB VAL A 2 -1.994 -0.552 8.740 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.750 -0.284 7.890 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.899 0.685 8.714 1.00 0.30 C ATOM 0 HA VAL A 2 -2.929 -1.616 7.113 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.696 -0.764 9.767 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.213 0.575 8.292 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.101 -1.159 7.909 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.049 -0.077 6.862 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.356 1.542 9.114 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.201 0.893 7.688 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.784 0.501 9.322 1.00 0.30 H new ATOM 36 N LYS A 3 -0.909 -3.236 7.596 1.00 0.18 N ATOM 37 CA LYS A 3 -0.058 -4.454 7.757 1.00 0.22 C ATOM 38 C LYS A 3 1.339 -4.174 7.204 1.00 0.16 C ATOM 39 O LYS A 3 1.500 -3.771 6.069 1.00 0.13 O ATOM 40 CB LYS A 3 -0.678 -5.627 6.992 1.00 0.26 C ATOM 41 CG LYS A 3 -0.025 -6.934 7.451 1.00 0.34 C ATOM 42 CD LYS A 3 -0.653 -8.110 6.702 1.00 0.81 C ATOM 43 CE LYS A 3 0.224 -9.352 6.873 1.00 1.37 C ATOM 44 NZ LYS A 3 0.297 -9.712 8.318 1.00 1.97 N ATOM 0 H LYS A 3 -0.634 -2.613 6.836 1.00 0.18 H new ATOM 0 HA LYS A 3 0.008 -4.708 8.815 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.753 -5.663 7.168 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.535 -5.493 5.920 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.048 -6.902 7.264 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.158 -7.061 8.525 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.655 -8.304 7.084 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.756 -7.868 5.644 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.188 -10.183 6.300 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.224 -9.161 6.484 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.669 -10.678 8.417 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.927 -9.047 8.810 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.654 -9.662 8.737 1.00 1.97 H new ATOM 58 N GLN A 4 2.352 -4.381 8.001 1.00 0.18 N ATOM 59 CA GLN A 4 3.744 -4.122 7.532 1.00 0.15 C ATOM 60 C GLN A 4 4.323 -5.388 6.893 1.00 0.13 C ATOM 61 O GLN A 4 4.190 -6.480 7.410 1.00 0.14 O ATOM 62 CB GLN A 4 4.607 -3.704 8.730 1.00 0.20 C ATOM 63 CG GLN A 4 6.095 -3.717 8.342 1.00 0.21 C ATOM 64 CD GLN A 4 6.896 -2.868 9.332 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.788 -3.047 10.530 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.701 -1.945 8.880 1.00 0.98 N ATOM 0 H GLN A 4 2.275 -4.720 8.960 1.00 0.18 H new ATOM 0 HA GLN A 4 3.736 -3.324 6.789 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.319 -2.707 9.065 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.435 -4.383 9.566 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.471 -4.740 8.339 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.220 -3.329 7.331 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.792 -1.795 7.875 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.239 -1.374 9.532 1.00 0.98 H new ATOM 75 N ILE A 5 4.982 -5.231 5.775 1.00 0.10 N ATOM 76 CA ILE A 5 5.607 -6.393 5.075 1.00 0.10 C ATOM 77 C ILE A 5 7.123 -6.282 5.226 1.00 0.10 C ATOM 78 O ILE A 5 7.752 -5.442 4.615 1.00 0.11 O ATOM 79 CB ILE A 5 5.260 -6.343 3.583 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.763 -6.025 3.370 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.618 -7.672 2.917 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.858 -7.019 4.112 1.00 0.19 C ATOM 0 H ILE A 5 5.116 -4.333 5.310 1.00 0.10 H new ATOM 0 HA ILE A 5 5.240 -7.326 5.504 1.00 0.10 H new ATOM 0 HB ILE A 5 5.843 -5.545 3.124 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.553 -5.013 3.717 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.534 -6.050 2.305 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.368 -7.627 1.857 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.686 -7.860 3.030 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.056 -8.478 3.388 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.814 -6.761 3.937 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.049 -8.028 3.746 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.068 -6.975 5.181 1.00 0.19 H new ATOM 94 N GLU A 6 7.717 -7.113 6.036 1.00 0.11 N ATOM 95 CA GLU A 6 9.197 -7.043 6.230 1.00 0.14 C ATOM 96 C GLU A 6 9.876 -8.116 5.378 1.00 0.14 C ATOM 97 O GLU A 6 11.084 -8.148 5.253 1.00 0.17 O ATOM 98 CB GLU A 6 9.514 -7.292 7.703 1.00 0.18 C ATOM 99 CG GLU A 6 8.575 -6.467 8.580 1.00 0.31 C ATOM 100 CD GLU A 6 8.931 -6.678 10.052 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.814 -7.800 10.515 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.316 -5.712 10.692 1.00 1.97 O ATOM 0 H GLU A 6 7.243 -7.839 6.574 1.00 0.11 H new ATOM 0 HA GLU A 6 9.562 -6.061 5.931 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.405 -8.352 7.934 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.550 -7.025 7.912 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.656 -5.411 8.324 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.541 -6.761 8.400 1.00 0.31 H new ATOM 109 N SER A 7 9.112 -8.998 4.789 1.00 0.13 N ATOM 110 CA SER A 7 9.722 -10.068 3.946 1.00 0.15 C ATOM 111 C SER A 7 8.723 -10.522 2.881 1.00 0.14 C ATOM 112 O SER A 7 7.525 -10.378 3.031 1.00 0.12 O ATOM 113 CB SER A 7 10.098 -11.252 4.831 1.00 0.20 C ATOM 114 OG SER A 7 8.917 -11.841 5.358 1.00 0.23 O ATOM 0 H SER A 7 8.094 -9.024 4.855 1.00 0.13 H new ATOM 0 HA SER A 7 10.614 -9.678 3.455 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.658 -11.988 4.254 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.746 -10.922 5.643 1.00 0.20 H new ATOM 0 HG SER A 7 9.157 -12.603 5.926 1.00 0.23 H new ATOM 120 N LYS A 8 9.211 -11.070 1.803 1.00 0.15 N ATOM 121 CA LYS A 8 8.304 -11.537 0.718 1.00 0.14 C ATOM 122 C LYS A 8 7.236 -12.473 1.292 1.00 0.14 C ATOM 123 O LYS A 8 6.135 -12.557 0.787 1.00 0.13 O ATOM 124 CB LYS A 8 9.126 -12.288 -0.334 1.00 0.17 C ATOM 125 CG LYS A 8 8.309 -12.428 -1.620 1.00 0.21 C ATOM 126 CD LYS A 8 9.014 -13.400 -2.568 1.00 0.22 C ATOM 127 CE LYS A 8 8.127 -13.655 -3.788 1.00 1.06 C ATOM 128 NZ LYS A 8 8.872 -14.482 -4.778 1.00 1.90 N ATOM 0 H LYS A 8 10.205 -11.215 1.626 1.00 0.15 H new ATOM 0 HA LYS A 8 7.814 -10.676 0.263 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.053 -11.752 -0.537 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.403 -13.273 0.042 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.307 -12.790 -1.390 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.194 -11.455 -2.098 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.973 -12.988 -2.882 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.223 -14.338 -2.054 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.213 -14.166 -3.486 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.829 -12.708 -4.239 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.270 -14.656 -5.608 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.732 -13.978 -5.074 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 9.135 -15.390 -4.344 1.00 1.90 H new ATOM 142 N THR A 9 7.556 -13.187 2.336 1.00 0.16 N ATOM 143 CA THR A 9 6.563 -14.127 2.934 1.00 0.18 C ATOM 144 C THR A 9 5.323 -13.363 3.401 1.00 0.16 C ATOM 145 O THR A 9 4.204 -13.783 3.180 1.00 0.17 O ATOM 146 CB THR A 9 7.195 -14.841 4.123 1.00 0.21 C ATOM 147 OG1 THR A 9 8.351 -15.545 3.693 1.00 0.24 O ATOM 148 CG2 THR A 9 6.188 -15.822 4.725 1.00 0.25 C ATOM 0 H THR A 9 8.463 -13.161 2.802 1.00 0.16 H new ATOM 0 HA THR A 9 6.266 -14.855 2.179 1.00 0.18 H new ATOM 0 HB THR A 9 7.479 -14.108 4.878 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.759 -16.003 4.458 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.641 -16.332 5.575 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.304 -15.278 5.057 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.901 -16.556 3.972 1.00 0.25 H new ATOM 156 N ALA A 10 5.510 -12.253 4.053 1.00 0.16 N ATOM 157 CA ALA A 10 4.342 -11.468 4.546 1.00 0.17 C ATOM 158 C ALA A 10 3.592 -10.857 3.356 1.00 0.15 C ATOM 159 O ALA A 10 2.414 -10.576 3.438 1.00 0.17 O ATOM 160 CB ALA A 10 4.842 -10.362 5.487 1.00 0.20 C ATOM 0 H ALA A 10 6.423 -11.852 4.268 1.00 0.16 H new ATOM 0 HA ALA A 10 3.659 -12.120 5.090 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.993 -9.783 5.852 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.365 -10.811 6.331 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.524 -9.705 4.947 1.00 0.20 H new ATOM 166 N PHE A 11 4.257 -10.647 2.253 1.00 0.12 N ATOM 167 CA PHE A 11 3.563 -10.054 1.072 1.00 0.11 C ATOM 168 C PHE A 11 2.423 -10.966 0.626 1.00 0.13 C ATOM 169 O PHE A 11 1.265 -10.624 0.738 1.00 0.16 O ATOM 170 CB PHE A 11 4.549 -9.885 -0.088 1.00 0.10 C ATOM 171 CG PHE A 11 3.831 -9.258 -1.264 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.399 -7.920 -1.188 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.603 -10.005 -2.438 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.738 -7.329 -2.281 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.940 -9.412 -3.530 1.00 0.18 C ATOM 176 CZ PHE A 11 2.507 -8.074 -3.451 1.00 0.21 C ATOM 0 H PHE A 11 5.246 -10.859 2.117 1.00 0.12 H new ATOM 0 HA PHE A 11 3.165 -9.080 1.356 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.386 -9.258 0.219 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.963 -10.852 -0.373 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.575 -7.347 -0.290 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.936 -11.030 -2.500 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.408 -6.302 -2.221 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.763 -9.984 -4.429 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.998 -7.621 -4.289 1.00 0.21 H new ATOM 186 N GLN A 12 2.744 -12.121 0.115 1.00 0.15 N ATOM 187 CA GLN A 12 1.680 -13.052 -0.354 1.00 0.19 C ATOM 188 C GLN A 12 0.670 -13.286 0.768 1.00 0.17 C ATOM 189 O GLN A 12 -0.526 -13.263 0.555 1.00 0.16 O ATOM 190 CB GLN A 12 2.314 -14.387 -0.752 1.00 0.24 C ATOM 191 CG GLN A 12 3.365 -14.155 -1.840 1.00 1.21 C ATOM 192 CD GLN A 12 2.670 -13.888 -3.177 1.00 1.77 C ATOM 193 OE1 GLN A 12 1.459 -13.805 -3.240 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.389 -13.746 -4.256 1.00 2.47 N ATOM 0 H GLN A 12 3.699 -12.461 0.002 1.00 0.15 H new ATOM 0 HA GLN A 12 1.171 -12.616 -1.214 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.774 -14.856 0.118 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.547 -15.071 -1.114 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.999 -13.309 -1.573 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.015 -15.026 -1.924 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.405 -13.815 -4.204 1.00 2.47 H new ATOM 0 HE22 GLN A 12 2.935 -13.565 -5.151 1.00 2.47 H new ATOM 203 N GLU A 13 1.138 -13.516 1.961 1.00 0.19 N ATOM 204 CA GLU A 13 0.204 -13.755 3.092 1.00 0.20 C ATOM 205 C GLU A 13 -0.724 -12.550 3.263 1.00 0.18 C ATOM 206 O GLU A 13 -1.887 -12.695 3.580 1.00 0.19 O ATOM 207 CB GLU A 13 1.017 -13.976 4.371 1.00 0.25 C ATOM 208 CG GLU A 13 1.548 -15.412 4.408 1.00 0.30 C ATOM 209 CD GLU A 13 0.395 -16.373 4.702 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.705 -15.897 4.923 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.632 -17.570 4.698 1.00 2.03 O ATOM 0 H GLU A 13 2.129 -13.549 2.201 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.403 -14.637 2.888 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.847 -13.271 4.411 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.395 -13.786 5.246 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.012 -15.664 3.455 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.319 -15.507 5.173 1.00 0.30 H new ATOM 218 N ALA A 14 -0.225 -11.363 3.059 1.00 0.18 N ATOM 219 CA ALA A 14 -1.093 -10.163 3.216 1.00 0.18 C ATOM 220 C ALA A 14 -2.262 -10.247 2.224 1.00 0.18 C ATOM 221 O ALA A 14 -3.403 -10.017 2.570 1.00 0.19 O ATOM 222 CB ALA A 14 -0.271 -8.906 2.936 1.00 0.20 C ATOM 0 H ALA A 14 0.741 -11.172 2.792 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.484 -10.122 4.233 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.903 -8.025 3.050 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.560 -8.850 3.640 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.118 -8.945 1.918 1.00 0.20 H new ATOM 228 N LEU A 15 -1.978 -10.581 0.994 1.00 0.17 N ATOM 229 CA LEU A 15 -3.055 -10.692 -0.036 1.00 0.18 C ATOM 230 C LEU A 15 -4.016 -11.820 0.340 1.00 0.18 C ATOM 231 O LEU A 15 -5.219 -11.665 0.296 1.00 0.18 O ATOM 232 CB LEU A 15 -2.418 -10.986 -1.399 1.00 0.19 C ATOM 233 CG LEU A 15 -1.163 -10.124 -1.575 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.633 -10.282 -3.002 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.509 -8.654 -1.322 1.00 0.62 C ATOM 0 H LEU A 15 -1.038 -10.784 0.654 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.611 -9.756 -0.086 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.159 -12.042 -1.471 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.130 -10.777 -2.197 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.402 -10.445 -0.864 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.260 -9.669 -3.129 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.384 -11.328 -3.184 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.396 -9.962 -3.711 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.615 -8.043 -1.448 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.271 -8.332 -2.032 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.887 -8.539 -0.306 1.00 0.62 H new ATOM 247 N ASP A 16 -3.496 -12.957 0.708 1.00 0.19 N ATOM 248 CA ASP A 16 -4.383 -14.091 1.084 1.00 0.21 C ATOM 249 C ASP A 16 -5.197 -13.713 2.323 1.00 0.20 C ATOM 250 O ASP A 16 -6.361 -14.043 2.438 1.00 0.20 O ATOM 251 CB ASP A 16 -3.532 -15.324 1.388 1.00 0.24 C ATOM 252 CG ASP A 16 -4.439 -16.550 1.504 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.646 -16.376 1.450 1.00 1.09 O ATOM 254 OD2 ASP A 16 -3.913 -17.641 1.644 1.00 1.07 O ATOM 0 H ASP A 16 -2.496 -13.150 0.765 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.060 -14.312 0.259 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.796 -15.476 0.598 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.979 -15.178 2.316 1.00 0.24 H new ATOM 259 N ALA A 17 -4.596 -13.022 3.254 1.00 0.22 N ATOM 260 CA ALA A 17 -5.338 -12.627 4.485 1.00 0.24 C ATOM 261 C ALA A 17 -6.215 -11.407 4.189 1.00 0.21 C ATOM 262 O ALA A 17 -7.125 -11.092 4.931 1.00 0.22 O ATOM 263 CB ALA A 17 -4.341 -12.279 5.591 1.00 0.30 C ATOM 0 H ALA A 17 -3.624 -12.714 3.215 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.968 -13.456 4.808 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.883 -11.990 6.492 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.718 -13.147 5.805 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.711 -11.451 5.266 1.00 0.30 H new ATOM 269 N ALA A 18 -5.952 -10.717 3.113 1.00 0.21 N ATOM 270 CA ALA A 18 -6.774 -9.520 2.779 1.00 0.22 C ATOM 271 C ALA A 18 -8.190 -9.960 2.397 1.00 0.21 C ATOM 272 O ALA A 18 -9.064 -9.146 2.179 1.00 0.24 O ATOM 273 CB ALA A 18 -6.136 -8.775 1.604 1.00 0.23 C ATOM 0 H ALA A 18 -5.205 -10.930 2.452 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.822 -8.860 3.645 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.737 -7.899 1.359 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.129 -8.459 1.877 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.087 -9.435 0.738 1.00 0.23 H new ATOM 279 N GLY A 19 -8.422 -11.241 2.315 1.00 0.22 N ATOM 280 CA GLY A 19 -9.781 -11.726 1.947 1.00 0.24 C ATOM 281 C GLY A 19 -10.064 -11.386 0.483 1.00 0.20 C ATOM 282 O GLY A 19 -9.459 -11.935 -0.416 1.00 0.28 O ATOM 0 H GLY A 19 -7.731 -11.971 2.487 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.849 -12.803 2.101 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.530 -11.264 2.590 1.00 0.24 H new ATOM 286 N ASP A 20 -10.979 -10.483 0.238 1.00 0.13 N ATOM 287 CA ASP A 20 -11.310 -10.099 -1.170 1.00 0.18 C ATOM 288 C ASP A 20 -11.506 -8.584 -1.255 1.00 0.15 C ATOM 289 O ASP A 20 -11.820 -8.049 -2.299 1.00 0.22 O ATOM 290 CB ASP A 20 -12.598 -10.803 -1.599 1.00 0.26 C ATOM 291 CG ASP A 20 -12.843 -10.558 -3.090 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.004 -9.929 -3.713 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.865 -11.006 -3.583 1.00 2.19 O ATOM 0 H ASP A 20 -11.514 -9.993 0.955 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.494 -10.397 -1.829 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.523 -11.873 -1.403 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.440 -10.431 -1.015 1.00 0.26 H new ATOM 298 N LYS A 21 -11.317 -7.885 -0.171 1.00 0.12 N ATOM 299 CA LYS A 21 -11.487 -6.410 -0.210 1.00 0.19 C ATOM 300 C LYS A 21 -10.369 -5.803 -1.045 1.00 0.15 C ATOM 301 O LYS A 21 -9.438 -6.479 -1.436 1.00 0.15 O ATOM 302 CB LYS A 21 -11.419 -5.858 1.211 1.00 0.27 C ATOM 303 CG LYS A 21 -12.727 -6.169 1.931 1.00 0.29 C ATOM 304 CD LYS A 21 -12.556 -5.910 3.423 1.00 0.30 C ATOM 305 CE LYS A 21 -13.927 -5.923 4.091 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.772 -5.680 5.553 1.00 1.90 N ATOM 0 H LYS A 21 -11.053 -8.271 0.736 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.452 -6.159 -0.651 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.580 -6.302 1.747 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.249 -4.782 1.188 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.531 -5.550 1.533 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.011 -7.208 1.761 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.914 -6.672 3.866 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.068 -4.949 3.585 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.565 -5.157 3.650 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.417 -6.882 3.921 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.707 -5.689 6.008 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.178 -6.426 5.968 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.322 -4.755 5.705 1.00 1.90 H new ATOM 320 N LEU A 22 -10.446 -4.536 -1.325 1.00 0.13 N ATOM 321 CA LEU A 22 -9.381 -3.905 -2.137 1.00 0.11 C ATOM 322 C LEU A 22 -8.072 -3.938 -1.329 1.00 0.10 C ATOM 323 O LEU A 22 -8.088 -4.121 -0.129 1.00 0.11 O ATOM 324 CB LEU A 22 -9.790 -2.449 -2.460 1.00 0.12 C ATOM 325 CG LEU A 22 -9.532 -2.091 -3.935 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.802 -0.593 -4.127 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.076 -2.395 -4.326 1.00 0.11 C ATOM 0 H LEU A 22 -11.198 -3.914 -1.027 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.237 -4.441 -3.075 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.847 -2.311 -2.233 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.234 -1.765 -1.818 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.190 -2.687 -4.567 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.624 -0.322 -5.168 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.838 -0.374 -3.867 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.137 -0.018 -3.483 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.918 -2.134 -5.372 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.402 -1.810 -3.700 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.875 -3.457 -4.183 1.00 0.11 H new ATOM 339 N VAL A 23 -6.942 -3.763 -1.967 1.00 0.08 N ATOM 340 CA VAL A 23 -5.649 -3.785 -1.214 1.00 0.09 C ATOM 341 C VAL A 23 -4.669 -2.785 -1.834 1.00 0.08 C ATOM 342 O VAL A 23 -4.136 -3.011 -2.901 1.00 0.09 O ATOM 343 CB VAL A 23 -5.047 -5.189 -1.283 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.899 -5.301 -0.281 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.124 -6.223 -0.945 1.00 0.10 C ATOM 0 H VAL A 23 -6.858 -3.607 -2.971 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.834 -3.512 -0.175 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.670 -5.374 -2.289 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.470 -6.302 -0.330 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.132 -4.565 -0.522 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.275 -5.116 0.725 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.695 -7.224 -0.994 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.502 -6.039 0.061 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.942 -6.143 -1.661 1.00 0.10 H new ATOM 355 N VAL A 24 -4.417 -1.685 -1.162 1.00 0.08 N ATOM 356 CA VAL A 24 -3.460 -0.665 -1.695 1.00 0.08 C ATOM 357 C VAL A 24 -2.144 -0.775 -0.926 1.00 0.08 C ATOM 358 O VAL A 24 -2.127 -0.851 0.286 1.00 0.08 O ATOM 359 CB VAL A 24 -4.046 0.738 -1.522 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.268 1.732 -2.389 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.514 0.732 -1.949 1.00 0.09 C ATOM 0 H VAL A 24 -4.836 -1.450 -0.262 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.284 -0.843 -2.756 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.970 1.034 -0.476 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.688 2.730 -2.264 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.221 1.738 -2.086 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.341 1.437 -3.436 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.933 1.731 -1.826 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.588 0.434 -2.995 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.070 0.027 -1.331 1.00 0.09 H new ATOM 371 N VAL A 25 -1.042 -0.799 -1.629 1.00 0.09 N ATOM 372 CA VAL A 25 0.294 -0.924 -0.967 1.00 0.09 C ATOM 373 C VAL A 25 1.047 0.401 -1.078 1.00 0.10 C ATOM 374 O VAL A 25 1.010 1.059 -2.095 1.00 0.17 O ATOM 375 CB VAL A 25 1.101 -2.015 -1.677 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.259 -2.471 -0.785 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.187 -3.206 -1.978 1.00 0.09 C ATOM 0 H VAL A 25 -1.009 -0.737 -2.647 1.00 0.09 H new ATOM 0 HA VAL A 25 0.158 -1.180 0.084 1.00 0.09 H new ATOM 0 HB VAL A 25 1.504 -1.617 -2.608 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.828 -3.247 -1.296 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.910 -1.623 -0.573 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.864 -2.868 0.150 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.758 -3.985 -2.483 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.217 -3.600 -1.045 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.632 -2.883 -2.620 1.00 0.09 H new ATOM 387 N ASP A 26 1.736 0.784 -0.036 1.00 0.08 N ATOM 388 CA ASP A 26 2.512 2.061 -0.057 1.00 0.08 C ATOM 389 C ASP A 26 4.008 1.742 -0.058 1.00 0.08 C ATOM 390 O ASP A 26 4.585 1.437 0.967 1.00 0.09 O ATOM 391 CB ASP A 26 2.167 2.878 1.190 1.00 0.09 C ATOM 392 CG ASP A 26 3.064 4.117 1.254 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.408 4.631 0.203 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.391 4.530 2.354 1.00 0.93 O ATOM 0 H ASP A 26 1.795 0.262 0.838 1.00 0.08 H new ATOM 0 HA ASP A 26 2.260 2.632 -0.951 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.119 3.176 1.164 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.304 2.271 2.085 1.00 0.09 H new ATOM 399 N PHE A 27 4.645 1.820 -1.193 1.00 0.08 N ATOM 400 CA PHE A 27 6.104 1.530 -1.248 1.00 0.09 C ATOM 401 C PHE A 27 6.859 2.811 -0.893 1.00 0.11 C ATOM 402 O PHE A 27 7.331 3.522 -1.761 1.00 0.13 O ATOM 403 CB PHE A 27 6.484 1.103 -2.669 1.00 0.10 C ATOM 404 CG PHE A 27 6.113 -0.344 -2.905 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.785 -0.697 -3.218 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.103 -1.340 -2.828 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.451 -2.047 -3.452 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.770 -2.687 -3.064 1.00 0.21 C ATOM 409 CZ PHE A 27 5.444 -3.040 -3.376 1.00 0.23 C ATOM 0 H PHE A 27 4.218 2.072 -2.084 1.00 0.08 H new ATOM 0 HA PHE A 27 6.356 0.731 -0.550 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.975 1.738 -3.394 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.555 1.240 -2.822 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.023 0.066 -3.279 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.121 -1.071 -2.587 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.433 -2.318 -3.689 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.532 -3.450 -3.006 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.189 -4.074 -3.557 1.00 0.23 H new ATOM 419 N SER A 28 6.963 3.110 0.380 1.00 0.11 N ATOM 420 CA SER A 28 7.678 4.347 0.827 1.00 0.12 C ATOM 421 C SER A 28 8.933 3.961 1.609 1.00 0.10 C ATOM 422 O SER A 28 8.966 2.956 2.291 1.00 0.11 O ATOM 423 CB SER A 28 6.757 5.165 1.730 1.00 0.17 C ATOM 424 OG SER A 28 5.647 5.630 0.974 1.00 1.03 O ATOM 0 H SER A 28 6.579 2.543 1.136 1.00 0.11 H new ATOM 0 HA SER A 28 7.959 4.936 -0.046 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.413 4.555 2.565 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.301 6.009 2.155 1.00 0.17 H new ATOM 0 HG SER A 28 5.177 4.866 0.579 1.00 1.03 H new ATOM 430 N ALA A 29 9.965 4.759 1.529 1.00 0.10 N ATOM 431 CA ALA A 29 11.217 4.448 2.282 1.00 0.15 C ATOM 432 C ALA A 29 11.165 5.154 3.644 1.00 0.18 C ATOM 433 O ALA A 29 10.860 6.327 3.737 1.00 0.26 O ATOM 434 CB ALA A 29 12.427 4.935 1.465 1.00 0.19 C ATOM 0 H ALA A 29 9.995 5.614 0.974 1.00 0.10 H new ATOM 0 HA ALA A 29 11.311 3.374 2.443 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.346 4.712 2.007 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.443 4.428 0.500 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.351 6.011 1.308 1.00 0.19 H new ATOM 440 N THR A 30 11.447 4.440 4.701 1.00 0.18 N ATOM 441 CA THR A 30 11.401 5.055 6.060 1.00 0.23 C ATOM 442 C THR A 30 12.516 6.095 6.221 1.00 0.26 C ATOM 443 O THR A 30 12.394 7.030 6.987 1.00 0.31 O ATOM 444 CB THR A 30 11.570 3.960 7.117 1.00 0.26 C ATOM 445 OG1 THR A 30 11.342 4.511 8.406 1.00 0.32 O ATOM 446 CG2 THR A 30 12.988 3.389 7.047 1.00 0.28 C ATOM 0 H THR A 30 11.708 3.454 4.682 1.00 0.18 H new ATOM 0 HA THR A 30 10.439 5.552 6.188 1.00 0.23 H new ATOM 0 HB THR A 30 10.852 3.161 6.929 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.448 3.812 9.084 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.104 2.610 7.801 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.161 2.965 6.058 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.710 4.184 7.233 1.00 0.28 H new ATOM 454 N TRP A 31 13.608 5.939 5.521 1.00 0.26 N ATOM 455 CA TRP A 31 14.728 6.918 5.656 1.00 0.32 C ATOM 456 C TRP A 31 14.526 8.081 4.686 1.00 0.32 C ATOM 457 O TRP A 31 15.201 9.087 4.762 1.00 0.36 O ATOM 458 CB TRP A 31 16.055 6.220 5.340 1.00 0.34 C ATOM 459 CG TRP A 31 16.105 5.835 3.896 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.755 4.624 3.402 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.529 6.636 2.759 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.938 4.631 2.029 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.411 5.848 1.583 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.002 7.963 2.631 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.749 6.359 0.321 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.343 8.480 1.365 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.217 7.680 0.212 1.00 0.40 C ATOM 0 H TRP A 31 13.774 5.178 4.863 1.00 0.26 H new ATOM 0 HA TRP A 31 14.746 7.301 6.676 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.888 6.882 5.576 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.166 5.333 5.964 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.392 3.789 3.983 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.747 3.834 1.422 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.102 8.584 3.509 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.650 5.742 -0.560 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.703 9.495 1.278 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.480 8.082 -0.755 1.00 0.40 H new ATOM 478 N CYS A 32 13.608 7.950 3.769 1.00 0.28 N ATOM 479 CA CYS A 32 13.370 9.043 2.779 1.00 0.30 C ATOM 480 C CYS A 32 12.223 9.940 3.259 1.00 0.31 C ATOM 481 O CYS A 32 11.136 9.484 3.555 1.00 0.29 O ATOM 482 CB CYS A 32 13.040 8.406 1.427 1.00 0.28 C ATOM 483 SG CYS A 32 13.584 9.499 0.089 1.00 0.32 S ATOM 0 H CYS A 32 13.009 7.131 3.661 1.00 0.28 H new ATOM 0 HA CYS A 32 14.259 9.665 2.677 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.532 7.437 1.341 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.968 8.227 1.350 1.00 0.28 H new ATOM 488 N GLY A 33 12.480 11.215 3.350 1.00 0.34 N ATOM 489 CA GLY A 33 11.447 12.177 3.826 1.00 0.36 C ATOM 490 C GLY A 33 10.281 12.321 2.832 1.00 0.35 C ATOM 491 O GLY A 33 9.142 12.183 3.224 1.00 0.33 O ATOM 0 H GLY A 33 13.377 11.638 3.111 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.061 11.845 4.790 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.908 13.152 3.986 1.00 0.36 H new ATOM 495 N PRO A 34 10.574 12.632 1.587 1.00 0.37 N ATOM 496 CA PRO A 34 9.518 12.839 0.572 1.00 0.38 C ATOM 497 C PRO A 34 8.495 11.695 0.579 1.00 0.35 C ATOM 498 O PRO A 34 7.304 11.924 0.511 1.00 0.36 O ATOM 499 CB PRO A 34 10.282 12.927 -0.768 1.00 0.42 C ATOM 500 CG PRO A 34 11.776 13.168 -0.415 1.00 0.44 C ATOM 501 CD PRO A 34 11.956 12.796 1.076 1.00 0.40 C ATOM 0 HA PRO A 34 8.931 13.737 0.763 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.163 12.008 -1.342 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.894 13.739 -1.382 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.424 12.559 -1.045 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.050 14.209 -0.588 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.533 11.878 1.189 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.490 13.577 1.618 1.00 0.40 H new ATOM 509 N ALA A 35 8.932 10.474 0.659 1.00 0.33 N ATOM 510 CA ALA A 35 7.954 9.352 0.665 1.00 0.32 C ATOM 511 C ALA A 35 7.259 9.304 2.023 1.00 0.39 C ATOM 512 O ALA A 35 6.051 9.359 2.122 1.00 0.81 O ATOM 513 CB ALA A 35 8.687 8.034 0.417 1.00 0.36 C ATOM 0 H ALA A 35 9.914 10.203 0.720 1.00 0.33 H new ATOM 0 HA ALA A 35 7.214 9.504 -0.121 1.00 0.32 H new ATOM 0 HB1 ALA A 35 7.970 7.213 0.422 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.188 8.073 -0.550 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.426 7.875 1.203 1.00 0.36 H new ATOM 519 N LYS A 36 8.022 9.206 3.070 1.00 0.30 N ATOM 520 CA LYS A 36 7.428 9.159 4.433 1.00 0.28 C ATOM 521 C LYS A 36 6.629 10.438 4.695 1.00 0.24 C ATOM 522 O LYS A 36 5.807 10.495 5.589 1.00 0.25 O ATOM 523 CB LYS A 36 8.562 9.042 5.454 1.00 0.35 C ATOM 524 CG LYS A 36 7.990 8.705 6.827 1.00 0.38 C ATOM 525 CD LYS A 36 9.120 8.672 7.857 1.00 0.49 C ATOM 526 CE LYS A 36 8.581 8.162 9.195 1.00 1.22 C ATOM 527 NZ LYS A 36 7.743 9.218 9.828 1.00 1.92 N ATOM 0 H LYS A 36 9.040 9.156 3.042 1.00 0.30 H new ATOM 0 HA LYS A 36 6.759 8.303 4.517 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.265 8.269 5.143 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.118 9.978 5.502 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.244 9.446 7.114 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.485 7.740 6.795 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.925 8.026 7.508 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.543 9.669 7.980 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.991 7.258 9.041 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.407 7.895 9.854 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.281 8.833 10.676 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.344 10.023 10.096 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.018 9.536 9.154 1.00 1.92 H new ATOM 541 N MET A 37 6.869 11.466 3.933 1.00 0.23 N ATOM 542 CA MET A 37 6.131 12.741 4.150 1.00 0.24 C ATOM 543 C MET A 37 4.632 12.538 3.917 1.00 0.20 C ATOM 544 O MET A 37 3.818 13.304 4.393 1.00 0.20 O ATOM 545 CB MET A 37 6.650 13.810 3.185 1.00 0.29 C ATOM 546 CG MET A 37 5.834 15.094 3.356 1.00 1.31 C ATOM 547 SD MET A 37 6.747 16.486 2.646 1.00 2.12 S ATOM 548 CE MET A 37 5.489 17.754 2.934 1.00 3.13 C ATOM 0 H MET A 37 7.544 11.479 3.169 1.00 0.23 H new ATOM 0 HA MET A 37 6.291 13.063 5.179 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.704 14.008 3.378 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.576 13.454 2.157 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.866 14.991 2.865 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.637 15.275 4.413 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.849 18.714 2.565 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.573 17.484 2.409 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.286 17.829 4.002 1.00 3.13 H new ATOM 558 N ILE A 38 4.259 11.531 3.171 1.00 0.18 N ATOM 559 CA ILE A 38 2.808 11.300 2.884 1.00 0.15 C ATOM 560 C ILE A 38 2.226 10.237 3.819 1.00 0.16 C ATOM 561 O ILE A 38 1.192 9.665 3.539 1.00 0.16 O ATOM 562 CB ILE A 38 2.648 10.845 1.424 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.284 11.896 0.496 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.151 10.679 1.070 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.417 11.339 -0.944 1.00 0.28 C ATOM 0 H ILE A 38 4.896 10.857 2.747 1.00 0.18 H new ATOM 0 HA ILE A 38 2.267 12.232 3.048 1.00 0.15 H new ATOM 0 HB ILE A 38 3.145 9.884 1.294 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.674 12.799 0.488 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.266 12.178 0.875 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.056 10.357 0.033 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.703 9.932 1.725 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.638 11.632 1.202 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.868 12.095 -1.586 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.047 10.449 -0.933 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.430 11.080 -1.327 1.00 0.28 H new ATOM 577 N LYS A 39 2.858 9.948 4.930 1.00 0.19 N ATOM 578 CA LYS A 39 2.275 8.905 5.825 1.00 0.22 C ATOM 579 C LYS A 39 0.985 9.362 6.522 1.00 0.20 C ATOM 580 O LYS A 39 0.142 8.535 6.787 1.00 0.21 O ATOM 581 CB LYS A 39 3.286 8.368 6.875 1.00 0.31 C ATOM 582 CG LYS A 39 3.456 9.299 8.107 1.00 0.34 C ATOM 583 CD LYS A 39 3.947 8.491 9.319 1.00 0.45 C ATOM 584 CE LYS A 39 5.146 7.620 8.936 1.00 1.16 C ATOM 585 NZ LYS A 39 4.671 6.303 8.422 1.00 1.62 N ATOM 0 H LYS A 39 3.727 10.376 5.249 1.00 0.19 H new ATOM 0 HA LYS A 39 2.021 8.083 5.155 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.957 7.386 7.215 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.256 8.231 6.397 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.167 10.092 7.877 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.507 9.780 8.342 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.226 9.169 10.126 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.140 7.863 9.695 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.744 8.123 8.176 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.791 7.471 9.802 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.236 5.540 8.847 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.670 6.173 8.672 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.776 6.276 7.388 1.00 1.62 H new ATOM 599 N PRO A 40 0.848 10.626 6.868 1.00 0.20 N ATOM 600 CA PRO A 40 -0.350 11.048 7.602 1.00 0.21 C ATOM 601 C PRO A 40 -1.607 10.853 6.742 1.00 0.17 C ATOM 602 O PRO A 40 -2.714 11.014 7.210 1.00 0.20 O ATOM 603 CB PRO A 40 -0.107 12.531 7.952 1.00 0.24 C ATOM 604 CG PRO A 40 1.324 12.892 7.455 1.00 0.25 C ATOM 605 CD PRO A 40 1.803 11.722 6.570 1.00 0.21 C ATOM 0 HA PRO A 40 -0.518 10.458 8.503 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.852 13.166 7.474 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.193 12.692 9.027 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.312 13.824 6.889 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.999 13.039 8.298 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.786 11.989 5.513 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.827 11.434 6.810 1.00 0.21 H new ATOM 613 N PHE A 41 -1.441 10.512 5.489 1.00 0.14 N ATOM 614 CA PHE A 41 -2.622 10.306 4.591 1.00 0.14 C ATOM 615 C PHE A 41 -2.838 8.811 4.354 1.00 0.11 C ATOM 616 O PHE A 41 -3.758 8.223 4.881 1.00 0.13 O ATOM 617 CB PHE A 41 -2.367 11.018 3.257 1.00 0.15 C ATOM 618 CG PHE A 41 -2.654 12.489 3.433 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.692 13.323 4.031 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.890 13.019 3.019 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.965 14.694 4.211 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.168 14.386 3.203 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.204 15.225 3.798 1.00 0.27 C ATOM 0 H PHE A 41 -0.534 10.366 5.046 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.516 10.719 5.058 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.335 10.869 2.940 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.003 10.599 2.477 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.746 12.913 4.352 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.626 12.376 2.560 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.226 15.337 4.665 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.118 14.792 2.889 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.415 16.275 3.938 1.00 0.27 H new ATOM 633 N PHE A 42 -2.005 8.199 3.561 1.00 0.10 N ATOM 634 CA PHE A 42 -2.161 6.742 3.272 1.00 0.11 C ATOM 635 C PHE A 42 -2.517 5.968 4.552 1.00 0.11 C ATOM 636 O PHE A 42 -3.478 5.226 4.586 1.00 0.12 O ATOM 637 CB PHE A 42 -0.848 6.212 2.694 1.00 0.13 C ATOM 638 CG PHE A 42 -0.948 4.720 2.493 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.721 4.210 1.436 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.268 3.840 3.357 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.817 2.822 1.241 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.364 2.448 3.163 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.139 1.939 2.103 1.00 0.10 C ATOM 0 H PHE A 42 -1.216 8.647 3.096 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.970 6.603 2.555 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.632 6.703 1.745 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.023 6.444 3.368 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.242 4.885 0.773 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.327 4.232 4.168 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.412 2.432 0.429 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.156 1.772 3.826 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.213 0.872 1.951 1.00 0.10 H new ATOM 653 N HIS A 43 -1.756 6.129 5.598 1.00 0.14 N ATOM 654 CA HIS A 43 -2.060 5.398 6.867 1.00 0.16 C ATOM 655 C HIS A 43 -3.357 5.944 7.489 1.00 0.16 C ATOM 656 O HIS A 43 -4.112 5.212 8.098 1.00 0.18 O ATOM 657 CB HIS A 43 -0.864 5.545 7.836 1.00 0.21 C ATOM 658 CG HIS A 43 -1.303 5.433 9.275 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.191 4.258 10.001 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.865 6.350 10.128 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.677 4.497 11.234 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.101 5.757 11.364 1.00 0.39 N ATOM 0 H HIS A 43 -0.936 6.734 5.632 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.211 4.338 6.661 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.122 4.776 7.620 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.380 6.509 7.676 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.090 7.376 9.877 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.719 3.760 12.022 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.510 6.191 12.192 1.00 0.39 H new ATOM 670 N SER A 44 -3.620 7.215 7.355 1.00 0.20 N ATOM 671 CA SER A 44 -4.864 7.778 7.957 1.00 0.25 C ATOM 672 C SER A 44 -6.094 7.096 7.352 1.00 0.20 C ATOM 673 O SER A 44 -7.016 6.732 8.055 1.00 0.21 O ATOM 674 CB SER A 44 -4.934 9.280 7.691 1.00 0.34 C ATOM 675 OG SER A 44 -6.280 9.719 7.828 1.00 0.97 O ATOM 0 H SER A 44 -3.033 7.885 6.858 1.00 0.20 H new ATOM 0 HA SER A 44 -4.847 7.600 9.032 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.292 9.815 8.390 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.567 9.501 6.689 1.00 0.34 H new ATOM 0 HG SER A 44 -6.328 10.683 7.659 1.00 0.97 H new ATOM 681 N LEU A 45 -6.124 6.918 6.058 1.00 0.18 N ATOM 682 CA LEU A 45 -7.308 6.258 5.433 1.00 0.18 C ATOM 683 C LEU A 45 -7.609 4.957 6.176 1.00 0.16 C ATOM 684 O LEU A 45 -8.682 4.400 6.062 1.00 0.23 O ATOM 685 CB LEU A 45 -7.019 5.944 3.960 1.00 0.19 C ATOM 686 CG LEU A 45 -6.534 7.203 3.232 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.215 6.851 1.777 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.626 8.284 3.274 1.00 0.50 C ATOM 0 H LEU A 45 -5.387 7.198 5.411 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.165 6.929 5.494 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.264 5.161 3.890 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.920 5.562 3.479 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.638 7.584 3.723 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.870 7.743 1.254 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.436 6.089 1.749 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.112 6.470 1.290 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.275 9.176 2.755 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.526 7.911 2.786 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.852 8.533 4.311 1.00 0.50 H new ATOM 700 N SER A 46 -6.670 4.471 6.938 1.00 0.20 N ATOM 701 CA SER A 46 -6.902 3.207 7.689 1.00 0.25 C ATOM 702 C SER A 46 -8.135 3.359 8.583 1.00 0.17 C ATOM 703 O SER A 46 -8.868 2.416 8.808 1.00 0.15 O ATOM 704 CB SER A 46 -5.681 2.899 8.557 1.00 0.36 C ATOM 705 OG SER A 46 -4.517 2.887 7.742 1.00 0.51 O ATOM 0 H SER A 46 -5.752 4.895 7.073 1.00 0.20 H new ATOM 0 HA SER A 46 -7.064 2.392 6.983 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.581 3.648 9.343 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.804 1.934 9.049 1.00 0.36 H new ATOM 0 HG SER A 46 -3.966 3.671 7.947 1.00 0.51 H new ATOM 711 N GLU A 47 -8.366 4.537 9.104 1.00 0.21 N ATOM 712 CA GLU A 47 -9.549 4.747 9.995 1.00 0.21 C ATOM 713 C GLU A 47 -10.730 5.292 9.188 1.00 0.18 C ATOM 714 O GLU A 47 -11.865 5.224 9.615 1.00 0.18 O ATOM 715 CB GLU A 47 -9.183 5.746 11.096 1.00 0.32 C ATOM 716 CG GLU A 47 -7.793 5.414 11.641 1.00 0.39 C ATOM 717 CD GLU A 47 -7.549 6.198 12.932 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.137 7.257 13.079 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.778 5.727 13.752 1.00 2.00 O ATOM 0 H GLU A 47 -7.787 5.363 8.951 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.833 3.793 10.439 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.198 6.762 10.700 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.920 5.706 11.898 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.712 4.344 11.832 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.032 5.664 10.902 1.00 0.39 H new ATOM 726 N LYS A 48 -10.479 5.836 8.028 1.00 0.18 N ATOM 727 CA LYS A 48 -11.599 6.386 7.205 1.00 0.17 C ATOM 728 C LYS A 48 -12.135 5.294 6.277 1.00 0.15 C ATOM 729 O LYS A 48 -13.251 5.367 5.799 1.00 0.18 O ATOM 730 CB LYS A 48 -11.086 7.565 6.370 1.00 0.21 C ATOM 731 CG LYS A 48 -12.275 8.388 5.865 1.00 0.26 C ATOM 732 CD LYS A 48 -11.785 9.468 4.892 1.00 1.09 C ATOM 733 CE LYS A 48 -10.929 10.506 5.633 1.00 1.51 C ATOM 734 NZ LYS A 48 -9.527 10.011 5.739 1.00 2.16 N ATOM 0 H LYS A 48 -9.551 5.924 7.614 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.400 6.727 7.861 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.426 8.190 6.971 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.499 7.200 5.528 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.994 7.737 5.368 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.792 8.851 6.706 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.202 9.010 4.093 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.638 9.958 4.423 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -10.951 11.457 5.101 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.338 10.687 6.627 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.244 9.980 6.739 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -9.464 9.056 5.332 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -8.893 10.651 5.220 1.00 2.16 H new ATOM 748 N TYR A 49 -11.348 4.279 6.023 1.00 0.13 N ATOM 749 CA TYR A 49 -11.796 3.165 5.128 1.00 0.13 C ATOM 750 C TYR A 49 -11.454 1.824 5.780 1.00 0.11 C ATOM 751 O TYR A 49 -10.634 1.074 5.289 1.00 0.11 O ATOM 752 CB TYR A 49 -11.086 3.283 3.772 1.00 0.15 C ATOM 753 CG TYR A 49 -11.788 4.321 2.926 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.034 4.017 2.347 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.204 5.586 2.719 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.699 4.976 1.563 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.870 6.547 1.934 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.118 6.243 1.355 1.00 0.21 C ATOM 759 OH TYR A 49 -13.771 7.184 0.586 1.00 0.24 O ATOM 0 H TYR A 49 -10.406 4.172 6.400 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.873 3.226 4.974 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.043 3.562 3.919 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.089 2.320 3.262 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.480 3.046 2.505 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.247 5.819 3.162 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.656 4.742 1.120 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.424 7.518 1.776 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.234 8.003 0.545 1.00 0.24 H new ATOM 769 N SER A 50 -12.084 1.515 6.879 1.00 0.12 N ATOM 770 CA SER A 50 -11.805 0.222 7.561 1.00 0.13 C ATOM 771 C SER A 50 -12.308 -0.929 6.686 1.00 0.13 C ATOM 772 O SER A 50 -12.139 -2.088 7.010 1.00 0.14 O ATOM 773 CB SER A 50 -12.527 0.193 8.909 1.00 0.16 C ATOM 774 OG SER A 50 -13.921 0.380 8.697 1.00 0.17 O ATOM 0 H SER A 50 -12.781 2.104 7.335 1.00 0.12 H new ATOM 0 HA SER A 50 -10.732 0.116 7.722 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.348 -0.758 9.411 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.138 0.976 9.560 1.00 0.16 H new ATOM 0 HG SER A 50 -14.388 0.360 9.558 1.00 0.17 H new ATOM 780 N ASN A 51 -12.929 -0.615 5.580 1.00 0.13 N ATOM 781 CA ASN A 51 -13.454 -1.680 4.673 1.00 0.15 C ATOM 782 C ASN A 51 -12.419 -1.981 3.588 1.00 0.13 C ATOM 783 O ASN A 51 -12.630 -2.817 2.731 1.00 0.14 O ATOM 784 CB ASN A 51 -14.750 -1.188 4.024 1.00 0.17 C ATOM 785 CG ASN A 51 -15.382 -2.314 3.205 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.914 -3.256 3.756 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.356 -2.251 1.901 1.00 0.32 N ATOM 0 H ASN A 51 -13.097 0.340 5.263 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.651 -2.588 5.244 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.446 -0.850 4.792 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.543 -0.332 3.382 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.783 -2.993 1.346 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.909 -1.460 1.437 1.00 0.32 H new ATOM 794 N VAL A 52 -11.297 -1.305 3.625 1.00 0.11 N ATOM 795 CA VAL A 52 -10.220 -1.534 2.610 1.00 0.10 C ATOM 796 C VAL A 52 -8.946 -1.967 3.331 1.00 0.10 C ATOM 797 O VAL A 52 -8.709 -1.602 4.466 1.00 0.11 O ATOM 798 CB VAL A 52 -9.956 -0.233 1.853 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.751 -0.413 0.924 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.194 0.132 1.029 1.00 0.12 C ATOM 0 H VAL A 52 -11.078 -0.595 4.324 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.529 -2.308 1.907 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.743 0.566 2.563 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.565 0.516 0.385 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.872 -0.673 1.514 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.958 -1.211 0.211 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -11.010 1.060 0.487 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.407 -0.667 0.319 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -12.048 0.263 1.694 1.00 0.12 H new ATOM 810 N ILE A 53 -8.125 -2.755 2.688 1.00 0.09 N ATOM 811 CA ILE A 53 -6.865 -3.232 3.336 1.00 0.09 C ATOM 812 C ILE A 53 -5.685 -2.366 2.871 1.00 0.09 C ATOM 813 O ILE A 53 -5.507 -2.124 1.694 1.00 0.14 O ATOM 814 CB ILE A 53 -6.618 -4.694 2.928 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.950 -5.478 2.923 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.602 -5.352 3.878 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.747 -5.250 4.223 1.00 0.17 C ATOM 0 H ILE A 53 -8.273 -3.091 1.736 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.958 -3.159 4.420 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.203 -4.712 1.920 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.551 -5.169 2.068 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.746 -6.542 2.802 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.438 -6.386 3.576 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.659 -4.808 3.835 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.989 -5.329 4.897 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.677 -5.817 4.184 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.155 -5.583 5.076 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.973 -4.189 4.330 1.00 0.17 H new ATOM 829 N PHE A 54 -4.875 -1.908 3.797 1.00 0.08 N ATOM 830 CA PHE A 54 -3.691 -1.059 3.442 1.00 0.08 C ATOM 831 C PHE A 54 -2.410 -1.788 3.855 1.00 0.08 C ATOM 832 O PHE A 54 -2.295 -2.280 4.959 1.00 0.11 O ATOM 833 CB PHE A 54 -3.773 0.269 4.198 1.00 0.08 C ATOM 834 CG PHE A 54 -4.969 1.052 3.710 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.965 1.596 2.412 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.085 1.239 4.550 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.077 2.328 1.952 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.197 1.971 4.089 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.193 2.515 2.790 1.00 0.09 C ATOM 0 H PHE A 54 -4.985 -2.088 4.795 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.684 -0.872 2.368 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.857 0.086 5.269 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.860 0.845 4.044 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.109 1.452 1.769 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.088 0.822 5.546 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.074 2.746 0.956 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.053 2.115 4.732 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.046 3.076 2.437 1.00 0.09 H new ATOM 849 N LEU A 55 -1.447 -1.862 2.971 1.00 0.08 N ATOM 850 CA LEU A 55 -0.157 -2.559 3.289 1.00 0.09 C ATOM 851 C LEU A 55 0.980 -1.529 3.302 1.00 0.09 C ATOM 852 O LEU A 55 0.792 -0.373 2.980 1.00 0.10 O ATOM 853 CB LEU A 55 0.136 -3.611 2.206 1.00 0.10 C ATOM 854 CG LEU A 55 -0.641 -4.909 2.473 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.142 -4.620 2.641 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.420 -5.859 1.288 1.00 0.12 C ATOM 0 H LEU A 55 -1.497 -1.466 2.032 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.234 -3.044 4.262 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.136 -3.216 1.227 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.205 -3.822 2.179 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.281 -5.365 3.395 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.673 -5.553 2.829 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.290 -3.942 3.482 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.528 -4.160 1.731 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.965 -6.787 1.460 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.782 -5.390 0.373 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.644 -6.075 1.189 1.00 0.12 H new ATOM 868 N GLU A 56 2.162 -1.953 3.663 1.00 0.09 N ATOM 869 CA GLU A 56 3.334 -1.023 3.691 1.00 0.09 C ATOM 870 C GLU A 56 4.578 -1.808 3.275 1.00 0.09 C ATOM 871 O GLU A 56 4.686 -2.988 3.540 1.00 0.10 O ATOM 872 CB GLU A 56 3.520 -0.471 5.108 1.00 0.09 C ATOM 873 CG GLU A 56 4.525 0.685 5.081 1.00 0.11 C ATOM 874 CD GLU A 56 4.516 1.403 6.432 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.927 0.797 7.406 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.098 2.549 6.469 1.00 1.24 O ATOM 0 H GLU A 56 2.370 -2.912 3.942 1.00 0.09 H new ATOM 0 HA GLU A 56 3.170 -0.189 3.008 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.564 -0.126 5.503 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.874 -1.259 5.773 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.524 0.307 4.865 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.270 1.384 4.284 1.00 0.11 H new ATOM 883 N VAL A 57 5.513 -1.178 2.608 1.00 0.08 N ATOM 884 CA VAL A 57 6.737 -1.918 2.163 1.00 0.08 C ATOM 885 C VAL A 57 7.972 -1.015 2.243 1.00 0.09 C ATOM 886 O VAL A 57 7.935 0.145 1.876 1.00 0.14 O ATOM 887 CB VAL A 57 6.543 -2.373 0.716 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.799 -3.101 0.244 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.342 -3.318 0.632 1.00 0.09 C ATOM 0 H VAL A 57 5.484 -0.191 2.353 1.00 0.08 H new ATOM 0 HA VAL A 57 6.888 -2.778 2.816 1.00 0.08 H new ATOM 0 HB VAL A 57 6.363 -1.505 0.082 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.665 -3.427 -0.787 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.654 -2.427 0.303 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.977 -3.969 0.879 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.205 -3.641 -0.400 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.519 -4.188 1.265 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.446 -2.799 0.971 1.00 0.09 H new ATOM 899 N ASP A 58 9.073 -1.554 2.712 1.00 0.09 N ATOM 900 CA ASP A 58 10.336 -0.757 2.813 1.00 0.09 C ATOM 901 C ASP A 58 11.234 -1.106 1.618 1.00 0.10 C ATOM 902 O ASP A 58 11.883 -2.133 1.593 1.00 0.11 O ATOM 903 CB ASP A 58 11.053 -1.106 4.126 1.00 0.11 C ATOM 904 CG ASP A 58 12.030 0.013 4.500 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.564 1.080 4.865 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.225 -0.216 4.415 1.00 1.06 O ATOM 0 H ASP A 58 9.150 -2.520 3.031 1.00 0.09 H new ATOM 0 HA ASP A 58 10.111 0.310 2.804 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.323 -1.245 4.923 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.590 -2.048 4.018 1.00 0.11 H new ATOM 911 N VAL A 59 11.256 -0.266 0.621 1.00 0.12 N ATOM 912 CA VAL A 59 12.086 -0.539 -0.592 1.00 0.15 C ATOM 913 C VAL A 59 13.570 -0.679 -0.228 1.00 0.18 C ATOM 914 O VAL A 59 14.400 -0.874 -1.093 1.00 0.27 O ATOM 915 CB VAL A 59 11.924 0.619 -1.577 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.487 0.648 -2.100 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.233 1.939 -0.868 1.00 0.22 C ATOM 0 H VAL A 59 10.730 0.607 0.592 1.00 0.12 H new ATOM 0 HA VAL A 59 11.749 -1.475 -1.038 1.00 0.15 H new ATOM 0 HB VAL A 59 12.612 0.484 -2.411 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.372 1.474 -2.802 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.265 -0.292 -2.605 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.799 0.783 -1.266 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.118 2.765 -1.570 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.545 2.073 -0.033 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.257 1.921 -0.495 1.00 0.22 H new ATOM 927 N ASP A 60 13.917 -0.564 1.033 1.00 0.16 N ATOM 928 CA ASP A 60 15.361 -0.669 1.440 1.00 0.18 C ATOM 929 C ASP A 60 15.579 -1.877 2.357 1.00 0.17 C ATOM 930 O ASP A 60 16.556 -2.588 2.232 1.00 0.18 O ATOM 931 CB ASP A 60 15.758 0.602 2.190 1.00 0.21 C ATOM 932 CG ASP A 60 15.264 1.828 1.421 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.595 1.942 0.251 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.565 2.632 2.014 1.00 1.08 O ATOM 0 H ASP A 60 13.264 -0.402 1.800 1.00 0.16 H new ATOM 0 HA ASP A 60 15.971 -0.793 0.545 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.331 0.593 3.193 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.841 0.645 2.305 1.00 0.21 H new ATOM 939 N ASP A 61 14.689 -2.112 3.286 1.00 0.17 N ATOM 940 CA ASP A 61 14.864 -3.271 4.216 1.00 0.17 C ATOM 941 C ASP A 61 14.102 -4.483 3.664 1.00 0.16 C ATOM 942 O ASP A 61 14.383 -5.613 4.014 1.00 0.18 O ATOM 943 CB ASP A 61 14.332 -2.876 5.604 1.00 0.19 C ATOM 944 CG ASP A 61 14.091 -4.124 6.463 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.048 -4.616 7.039 1.00 1.12 O ATOM 946 OD2 ASP A 61 12.956 -4.563 6.529 1.00 1.07 O ATOM 0 H ASP A 61 13.850 -1.554 3.442 1.00 0.17 H new ATOM 0 HA ASP A 61 15.918 -3.536 4.303 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.046 -2.219 6.100 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.403 -2.316 5.498 1.00 0.19 H new ATOM 951 N ALA A 62 13.159 -4.255 2.783 1.00 0.16 N ATOM 952 CA ALA A 62 12.383 -5.383 2.168 1.00 0.16 C ATOM 953 C ALA A 62 12.615 -5.348 0.659 1.00 0.16 C ATOM 954 O ALA A 62 11.695 -5.431 -0.130 1.00 0.15 O ATOM 955 CB ALA A 62 10.891 -5.210 2.462 1.00 0.17 C ATOM 0 H ALA A 62 12.889 -3.326 2.459 1.00 0.16 H new ATOM 0 HA ALA A 62 12.711 -6.336 2.583 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.334 -6.032 2.013 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.730 -5.209 3.540 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.545 -4.265 2.043 1.00 0.17 H new ATOM 961 N GLN A 63 13.848 -5.208 0.259 1.00 0.20 N ATOM 962 CA GLN A 63 14.174 -5.145 -1.193 1.00 0.22 C ATOM 963 C GLN A 63 13.626 -6.375 -1.920 1.00 0.20 C ATOM 964 O GLN A 63 13.517 -6.389 -3.128 1.00 0.20 O ATOM 965 CB GLN A 63 15.695 -5.084 -1.363 1.00 0.29 C ATOM 966 CG GLN A 63 16.286 -4.142 -0.311 1.00 0.90 C ATOM 967 CD GLN A 63 17.734 -3.812 -0.675 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.484 -4.680 -1.075 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.162 -2.586 -0.548 1.00 2.22 N ATOM 0 H GLN A 63 14.652 -5.134 0.883 1.00 0.20 H new ATOM 0 HA GLN A 63 13.715 -4.255 -1.622 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.124 -6.080 -1.257 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.947 -4.733 -2.364 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.697 -3.227 -0.255 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.245 -4.608 0.673 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.532 -1.858 -0.212 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.127 -2.356 -0.785 1.00 2.22 H new ATOM 978 N ASP A 64 13.279 -7.410 -1.207 1.00 0.19 N ATOM 979 CA ASP A 64 12.744 -8.622 -1.886 1.00 0.20 C ATOM 980 C ASP A 64 11.365 -8.305 -2.462 1.00 0.17 C ATOM 981 O ASP A 64 11.006 -8.761 -3.530 1.00 0.19 O ATOM 982 CB ASP A 64 12.632 -9.766 -0.875 1.00 0.22 C ATOM 983 CG ASP A 64 12.087 -9.227 0.448 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.858 -8.632 1.184 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.909 -9.416 0.702 1.00 1.09 O ATOM 0 H ASP A 64 13.342 -7.469 -0.191 1.00 0.19 H new ATOM 0 HA ASP A 64 13.415 -8.921 -2.691 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.974 -10.544 -1.262 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.609 -10.224 -0.718 1.00 0.22 H new ATOM 990 N VAL A 65 10.592 -7.519 -1.770 1.00 0.15 N ATOM 991 CA VAL A 65 9.244 -7.166 -2.286 1.00 0.16 C ATOM 992 C VAL A 65 9.404 -6.172 -3.438 1.00 0.16 C ATOM 993 O VAL A 65 8.834 -6.335 -4.499 1.00 0.19 O ATOM 994 CB VAL A 65 8.423 -6.533 -1.164 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.970 -6.380 -1.618 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.478 -7.430 0.076 1.00 0.18 C ATOM 0 H VAL A 65 10.836 -7.106 -0.870 1.00 0.15 H new ATOM 0 HA VAL A 65 8.731 -8.060 -2.641 1.00 0.16 H new ATOM 0 HB VAL A 65 8.833 -5.552 -0.923 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.384 -5.928 -0.817 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.930 -5.742 -2.501 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.559 -7.360 -1.860 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.893 -6.979 0.877 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.068 -8.411 -0.166 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.513 -7.540 0.400 1.00 0.18 H new ATOM 1006 N ALA A 66 10.188 -5.148 -3.238 1.00 0.16 N ATOM 1007 CA ALA A 66 10.403 -4.143 -4.319 1.00 0.18 C ATOM 1008 C ALA A 66 11.104 -4.812 -5.501 1.00 0.19 C ATOM 1009 O ALA A 66 10.833 -4.512 -6.646 1.00 0.20 O ATOM 1010 CB ALA A 66 11.278 -3.008 -3.787 1.00 0.22 C ATOM 0 H ALA A 66 10.691 -4.963 -2.370 1.00 0.16 H new ATOM 0 HA ALA A 66 9.442 -3.743 -4.643 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.437 -2.272 -4.575 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.782 -2.533 -2.941 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.239 -3.409 -3.466 1.00 0.22 H new ATOM 1016 N SER A 67 12.007 -5.716 -5.232 1.00 0.21 N ATOM 1017 CA SER A 67 12.727 -6.401 -6.342 1.00 0.26 C ATOM 1018 C SER A 67 11.725 -7.204 -7.171 1.00 0.26 C ATOM 1019 O SER A 67 11.725 -7.151 -8.386 1.00 0.29 O ATOM 1020 CB SER A 67 13.791 -7.337 -5.766 1.00 0.31 C ATOM 1021 OG SER A 67 14.784 -6.567 -5.099 1.00 1.29 O ATOM 0 H SER A 67 12.276 -6.009 -4.293 1.00 0.21 H new ATOM 0 HA SER A 67 13.212 -5.659 -6.976 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.334 -8.042 -5.072 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.245 -7.925 -6.564 1.00 0.31 H new ATOM 0 HG SER A 67 14.438 -6.267 -4.233 1.00 1.29 H new ATOM 1027 N GLU A 68 10.866 -7.946 -6.527 1.00 0.26 N ATOM 1028 CA GLU A 68 9.862 -8.748 -7.282 1.00 0.30 C ATOM 1029 C GLU A 68 8.918 -7.802 -8.030 1.00 0.31 C ATOM 1030 O GLU A 68 8.513 -8.067 -9.145 1.00 0.36 O ATOM 1031 CB GLU A 68 9.059 -9.612 -6.304 1.00 0.31 C ATOM 1032 CG GLU A 68 8.209 -10.628 -7.078 1.00 0.39 C ATOM 1033 CD GLU A 68 7.013 -9.921 -7.717 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.393 -9.119 -7.040 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.737 -10.194 -8.874 1.00 2.20 O ATOM 0 H GLU A 68 10.816 -8.031 -5.512 1.00 0.26 H new ATOM 0 HA GLU A 68 10.371 -9.393 -7.998 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.735 -10.133 -5.626 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.417 -8.980 -5.691 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.812 -11.110 -7.847 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.863 -11.413 -6.406 1.00 0.39 H new ATOM 1042 N ALA A 69 8.562 -6.697 -7.426 1.00 0.29 N ATOM 1043 CA ALA A 69 7.642 -5.733 -8.103 1.00 0.31 C ATOM 1044 C ALA A 69 8.465 -4.758 -8.947 1.00 0.29 C ATOM 1045 O ALA A 69 7.932 -3.957 -9.690 1.00 0.33 O ATOM 1046 CB ALA A 69 6.857 -4.952 -7.046 1.00 0.31 C ATOM 0 H ALA A 69 8.868 -6.420 -6.493 1.00 0.29 H new ATOM 0 HA ALA A 69 6.948 -6.277 -8.744 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.185 -4.248 -7.538 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.275 -5.645 -6.439 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.551 -4.405 -6.408 1.00 0.31 H new ATOM 1052 N GLU A 70 9.763 -4.831 -8.845 1.00 0.27 N ATOM 1053 CA GLU A 70 10.634 -3.925 -9.644 1.00 0.29 C ATOM 1054 C GLU A 70 10.201 -2.465 -9.460 1.00 0.25 C ATOM 1055 O GLU A 70 9.931 -1.763 -10.414 1.00 0.26 O ATOM 1056 CB GLU A 70 10.535 -4.312 -11.121 1.00 0.38 C ATOM 1057 CG GLU A 70 11.058 -5.738 -11.308 1.00 1.18 C ATOM 1058 CD GLU A 70 10.728 -6.224 -12.720 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.498 -5.935 -13.621 1.00 2.06 O ATOM 1060 OE2 GLU A 70 9.710 -6.878 -12.877 1.00 2.34 O ATOM 0 H GLU A 70 10.260 -5.483 -8.239 1.00 0.27 H new ATOM 0 HA GLU A 70 11.664 -4.025 -9.303 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.500 -4.245 -11.457 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.114 -3.618 -11.730 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.135 -5.765 -11.146 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.607 -6.401 -10.570 1.00 1.18 H new ATOM 1067 N VAL A 71 10.149 -2.000 -8.239 1.00 0.22 N ATOM 1068 CA VAL A 71 9.758 -0.579 -7.985 1.00 0.19 C ATOM 1069 C VAL A 71 11.000 0.317 -8.136 1.00 0.23 C ATOM 1070 O VAL A 71 12.004 0.097 -7.489 1.00 0.28 O ATOM 1071 CB VAL A 71 9.198 -0.460 -6.568 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.717 0.971 -6.334 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.020 -1.423 -6.403 1.00 0.19 C ATOM 0 H VAL A 71 10.361 -2.544 -7.403 1.00 0.22 H new ATOM 0 HA VAL A 71 8.997 -0.265 -8.699 1.00 0.19 H new ATOM 0 HB VAL A 71 9.976 -0.709 -5.846 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.317 1.060 -5.324 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.553 1.660 -6.455 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.938 1.216 -7.056 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.620 -1.339 -5.393 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.241 -1.172 -7.124 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.358 -2.445 -6.575 1.00 0.19 H new ATOM 1083 N LYS A 72 10.945 1.319 -8.991 1.00 0.24 N ATOM 1084 CA LYS A 72 12.132 2.228 -9.192 1.00 0.29 C ATOM 1085 C LYS A 72 11.808 3.644 -8.689 1.00 0.26 C ATOM 1086 O LYS A 72 12.581 4.563 -8.878 1.00 0.27 O ATOM 1087 CB LYS A 72 12.475 2.311 -10.695 1.00 0.35 C ATOM 1088 CG LYS A 72 13.260 1.066 -11.155 1.00 0.43 C ATOM 1089 CD LYS A 72 12.297 -0.090 -11.453 1.00 1.16 C ATOM 1090 CE LYS A 72 13.064 -1.256 -12.088 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.753 -2.036 -11.021 1.00 2.40 N ATOM 0 H LYS A 72 10.129 1.548 -9.559 1.00 0.24 H new ATOM 0 HA LYS A 72 12.976 1.823 -8.634 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.557 2.401 -11.276 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.064 3.208 -10.888 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.841 1.303 -12.046 1.00 0.43 H new ATOM 0 HG3 LYS A 72 13.968 0.768 -10.382 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.814 -0.419 -10.533 1.00 1.16 H new ATOM 0 HD3 LYS A 72 11.508 0.247 -12.125 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.378 -1.900 -12.639 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.792 -0.878 -12.806 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.274 -2.827 -11.451 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.419 -1.418 -10.514 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.048 -2.408 -10.353 1.00 2.40 H new ATOM 1105 N ALA A 73 10.679 3.839 -8.065 1.00 0.22 N ATOM 1106 CA ALA A 73 10.329 5.213 -7.575 1.00 0.20 C ATOM 1107 C ALA A 73 9.393 5.108 -6.368 1.00 0.18 C ATOM 1108 O ALA A 73 8.575 4.225 -6.304 1.00 0.16 O ATOM 1109 CB ALA A 73 9.618 5.973 -8.708 1.00 0.21 C ATOM 0 H ALA A 73 9.985 3.117 -7.872 1.00 0.22 H new ATOM 0 HA ALA A 73 11.235 5.742 -7.279 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.357 6.975 -8.366 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.281 6.045 -9.570 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.711 5.439 -8.991 1.00 0.21 H new ATOM 1115 N THR A 74 9.495 6.016 -5.420 1.00 0.18 N ATOM 1116 CA THR A 74 8.579 5.981 -4.225 1.00 0.17 C ATOM 1117 C THR A 74 7.922 7.364 -4.080 1.00 0.17 C ATOM 1118 O THR A 74 8.547 8.353 -4.411 1.00 0.19 O ATOM 1119 CB THR A 74 9.377 5.688 -2.936 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.282 6.750 -2.691 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.164 4.377 -3.056 1.00 0.19 C ATOM 0 H THR A 74 10.172 6.779 -5.421 1.00 0.18 H new ATOM 0 HA THR A 74 7.834 5.199 -4.370 1.00 0.17 H new ATOM 0 HB THR A 74 8.670 5.594 -2.112 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.788 6.566 -1.872 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.716 4.198 -2.133 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.473 3.553 -3.231 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.864 4.448 -3.889 1.00 0.19 H new ATOM 1129 N PRO A 75 6.702 7.433 -3.572 1.00 0.17 N ATOM 1130 CA PRO A 75 5.883 6.267 -3.147 1.00 0.16 C ATOM 1131 C PRO A 75 5.221 5.612 -4.372 1.00 0.14 C ATOM 1132 O PRO A 75 4.736 6.293 -5.252 1.00 0.14 O ATOM 1133 CB PRO A 75 4.805 6.886 -2.226 1.00 0.17 C ATOM 1134 CG PRO A 75 4.819 8.423 -2.473 1.00 0.20 C ATOM 1135 CD PRO A 75 6.054 8.736 -3.349 1.00 0.19 C ATOM 0 HA PRO A 75 6.470 5.494 -2.651 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.823 6.469 -2.449 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.017 6.662 -1.181 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.903 8.740 -2.972 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.871 8.964 -1.528 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.762 9.198 -4.292 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.727 9.431 -2.848 1.00 0.19 H new ATOM 1143 N THR A 76 5.166 4.296 -4.417 1.00 0.13 N ATOM 1144 CA THR A 76 4.493 3.604 -5.574 1.00 0.12 C ATOM 1145 C THR A 76 3.212 2.961 -5.062 1.00 0.12 C ATOM 1146 O THR A 76 3.250 2.006 -4.317 1.00 0.18 O ATOM 1147 CB THR A 76 5.395 2.502 -6.164 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.733 2.946 -6.175 1.00 0.13 O ATOM 1149 CG2 THR A 76 4.956 2.187 -7.599 1.00 0.13 C ATOM 0 H THR A 76 5.555 3.674 -3.708 1.00 0.13 H new ATOM 0 HA THR A 76 4.287 4.337 -6.354 1.00 0.12 H new ATOM 0 HB THR A 76 5.310 1.604 -5.553 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.756 3.912 -6.340 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.596 1.408 -8.013 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.922 1.843 -7.596 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.038 3.086 -8.210 1.00 0.13 H new ATOM 1157 N PHE A 77 2.076 3.464 -5.449 1.00 0.09 N ATOM 1158 CA PHE A 77 0.811 2.847 -4.964 1.00 0.09 C ATOM 1159 C PHE A 77 0.422 1.710 -5.892 1.00 0.09 C ATOM 1160 O PHE A 77 0.131 1.907 -7.055 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.305 3.886 -4.922 1.00 0.10 C ATOM 1162 CG PHE A 77 -0.003 4.870 -3.827 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.267 4.525 -2.489 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.545 6.127 -4.139 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.017 5.441 -1.459 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.830 7.044 -3.111 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.566 6.704 -1.772 1.00 0.12 C ATOM 0 H PHE A 77 1.967 4.265 -6.072 1.00 0.09 H new ATOM 0 HA PHE A 77 0.964 2.463 -3.956 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.381 4.399 -5.881 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.265 3.403 -4.742 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.687 3.559 -2.253 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.747 6.388 -5.167 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.185 5.179 -0.431 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.252 8.009 -3.350 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.783 7.409 -0.983 1.00 0.12 H new ATOM 1177 N GLN A 78 0.421 0.516 -5.373 1.00 0.07 N ATOM 1178 CA GLN A 78 0.060 -0.677 -6.183 1.00 0.07 C ATOM 1179 C GLN A 78 -1.234 -1.247 -5.618 1.00 0.06 C ATOM 1180 O GLN A 78 -1.416 -1.322 -4.420 1.00 0.07 O ATOM 1181 CB GLN A 78 1.187 -1.706 -6.059 1.00 0.08 C ATOM 1182 CG GLN A 78 2.539 -1.004 -6.213 1.00 0.12 C ATOM 1183 CD GLN A 78 3.625 -2.040 -6.517 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.353 -3.063 -7.112 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.850 -1.815 -6.130 1.00 1.03 N ATOM 0 H GLN A 78 0.660 0.313 -4.402 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.076 -0.420 -7.234 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.133 -2.206 -5.092 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.076 -2.476 -6.822 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.489 -0.269 -7.016 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.785 -0.462 -5.300 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.077 -0.955 -5.630 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.581 -2.499 -6.327 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.145 -1.625 -6.474 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.454 -2.165 -6.003 1.00 0.07 C ATOM 1196 C PHE A 79 -3.529 -3.655 -6.303 1.00 0.07 C ATOM 1197 O PHE A 79 -3.338 -4.088 -7.422 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.588 -1.434 -6.729 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.591 0.017 -6.300 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.542 0.862 -6.692 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.629 0.517 -5.497 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.524 2.209 -6.288 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.617 1.862 -5.083 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.564 2.709 -5.479 1.00 0.11 C ATOM 0 H PHE A 79 -2.038 -1.583 -7.487 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.550 -2.012 -4.928 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.453 -1.508 -7.808 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.546 -1.898 -6.495 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.743 0.476 -7.308 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.438 -0.132 -5.197 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.717 2.857 -6.596 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.414 2.244 -4.463 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.553 3.742 -5.163 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.810 -4.441 -5.298 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.912 -5.918 -5.479 1.00 0.08 C ATOM 1216 C PHE A 80 -5.288 -6.366 -5.013 1.00 0.11 C ATOM 1217 O PHE A 80 -5.934 -5.709 -4.218 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.841 -6.613 -4.636 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.487 -6.426 -5.281 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.092 -7.258 -6.347 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.618 -5.424 -4.813 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.172 -7.085 -6.943 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.645 -5.252 -5.409 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.041 -6.081 -6.474 1.00 0.14 C ATOM 0 H PHE A 80 -3.976 -4.117 -4.345 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.766 -6.177 -6.528 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.834 -6.201 -3.627 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.068 -7.675 -4.545 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.758 -8.028 -6.707 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.920 -4.786 -3.996 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.475 -7.723 -7.760 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.311 -4.482 -5.048 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.010 -5.948 -6.931 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.752 -7.476 -5.501 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.090 -7.964 -5.087 1.00 0.14 C ATOM 1236 C LYS A 81 -7.110 -9.472 -5.299 1.00 0.14 C ATOM 1237 O LYS A 81 -6.853 -9.947 -6.382 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.157 -7.270 -5.950 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.529 -7.296 -5.252 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.447 -6.234 -5.875 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.703 -6.071 -5.017 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.338 -5.493 -3.693 1.00 1.48 N ATOM 0 H LYS A 81 -5.261 -8.068 -6.171 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.298 -7.740 -4.041 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.861 -6.239 -6.142 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.227 -7.766 -6.918 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.980 -8.284 -5.351 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.409 -7.106 -4.185 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.920 -5.283 -5.950 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.722 -6.527 -6.888 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.418 -5.422 -5.523 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.189 -7.037 -4.881 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -12.094 -5.692 -3.007 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -10.449 -5.919 -3.361 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.216 -4.464 -3.785 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.377 -10.226 -4.274 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.375 -11.706 -4.423 1.00 0.20 C ATOM 1258 C LYS A 82 -6.026 -12.154 -4.995 1.00 0.20 C ATOM 1259 O LYS A 82 -5.953 -13.063 -5.798 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.506 -12.139 -5.364 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.839 -12.107 -4.614 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.966 -12.601 -5.530 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.081 -11.697 -6.768 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.469 -11.766 -7.303 1.00 1.67 N ATOM 0 H LYS A 82 -7.597 -9.883 -3.339 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.531 -12.168 -3.448 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.548 -11.476 -6.228 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.314 -13.143 -5.742 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.781 -12.734 -3.724 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.052 -11.093 -4.276 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.770 -13.628 -5.838 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.910 -12.606 -4.986 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.831 -10.669 -6.506 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.369 -12.013 -7.531 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.549 -11.155 -8.141 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.691 -12.747 -7.568 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.138 -11.444 -6.575 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.959 -11.531 -4.576 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.613 -11.927 -5.080 1.00 0.21 C ATOM 1280 C GLY A 83 -3.439 -11.487 -6.536 1.00 0.19 C ATOM 1281 O GLY A 83 -2.459 -11.820 -7.173 1.00 0.22 O ATOM 0 H GLY A 83 -4.961 -10.763 -3.905 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.838 -11.474 -4.461 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.492 -13.007 -5.003 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.384 -10.750 -7.073 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.280 -10.296 -8.502 1.00 0.17 C ATOM 1287 C GLN A 84 -4.083 -8.775 -8.571 1.00 0.16 C ATOM 1288 O GLN A 84 -4.609 -8.030 -7.773 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.574 -10.670 -9.240 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.546 -12.156 -9.606 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.623 -12.356 -10.807 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.537 -13.437 -11.355 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.925 -11.343 -11.240 1.00 2.08 N ATOM 0 H GLN A 84 -5.225 -10.442 -6.584 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.423 -10.783 -8.967 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.438 -10.456 -8.611 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.678 -10.065 -10.141 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.195 -12.746 -8.759 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.551 -12.505 -9.842 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.000 -10.437 -10.777 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.304 -11.457 -12.041 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.332 -8.313 -9.540 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.103 -6.844 -9.683 1.00 0.17 C ATOM 1304 C LYS A 85 -4.238 -6.234 -10.505 1.00 0.16 C ATOM 1305 O LYS A 85 -4.727 -6.838 -11.439 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.772 -6.597 -10.395 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.564 -5.085 -10.581 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.082 -4.783 -10.826 1.00 0.30 C ATOM 1309 CE LYS A 85 0.344 -5.359 -12.177 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.725 -4.899 -12.500 1.00 1.70 N ATOM 0 H LYS A 85 -2.867 -8.892 -10.239 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.075 -6.384 -8.695 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.952 -7.019 -9.813 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.767 -7.098 -11.363 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.159 -4.729 -11.422 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.910 -4.551 -9.696 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.087 -3.706 -10.809 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.524 -5.214 -10.029 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.310 -6.448 -12.147 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.349 -5.039 -12.955 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.015 -5.290 -13.419 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.743 -3.860 -12.545 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.381 -5.225 -11.762 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.667 -5.042 -10.160 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.784 -4.382 -10.913 1.00 0.16 C ATOM 1326 C VAL A 86 -5.381 -2.962 -11.328 1.00 0.18 C ATOM 1327 O VAL A 86 -6.066 -2.322 -12.101 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.021 -4.318 -10.017 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.597 -5.723 -9.847 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.631 -3.760 -8.646 1.00 0.17 C ATOM 0 H VAL A 86 -4.290 -4.495 -9.386 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.002 -4.962 -11.810 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.768 -3.669 -10.474 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.479 -5.680 -9.208 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.874 -6.123 -10.822 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.849 -6.370 -9.389 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.513 -3.714 -8.007 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.885 -4.409 -8.188 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.217 -2.759 -8.765 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.282 -2.458 -10.833 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.867 -1.077 -11.225 1.00 0.18 C ATOM 1342 C GLY A 87 -2.708 -0.595 -10.347 1.00 0.10 C ATOM 1343 O GLY A 87 -2.312 -1.253 -9.405 1.00 0.08 O ATOM 0 H GLY A 87 -3.659 -2.935 -10.181 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.567 -1.065 -12.273 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.712 -0.396 -11.128 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.165 0.557 -10.651 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.033 1.094 -9.841 1.00 0.10 C ATOM 1349 C GLU A 88 -0.692 2.512 -10.293 1.00 0.10 C ATOM 1350 O GLU A 88 -0.961 2.903 -11.411 1.00 0.11 O ATOM 1351 CB GLU A 88 0.200 0.198 -10.009 1.00 0.17 C ATOM 1352 CG GLU A 88 0.569 0.062 -11.501 1.00 0.25 C ATOM 1353 CD GLU A 88 1.490 1.214 -11.922 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.676 1.126 -11.650 1.00 1.94 O ATOM 1355 OE2 GLU A 88 0.993 2.160 -12.511 1.00 2.04 O ATOM 0 H GLU A 88 -2.459 1.149 -11.428 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.330 1.111 -8.792 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.041 0.619 -9.457 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.002 -0.787 -9.586 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.065 -0.893 -11.676 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.335 0.068 -12.110 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.083 3.281 -9.431 1.00 0.09 N ATOM 1363 CA PHE A 89 0.296 4.669 -9.813 1.00 0.09 C ATOM 1364 C PHE A 89 1.229 5.269 -8.754 1.00 0.09 C ATOM 1365 O PHE A 89 0.963 5.216 -7.573 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.963 5.543 -10.005 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.538 6.010 -8.680 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.884 7.015 -7.932 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.742 5.454 -8.200 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.432 7.453 -6.713 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.287 5.896 -6.980 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.634 6.896 -6.237 1.00 0.11 C ATOM 0 H PHE A 89 0.167 3.007 -8.481 1.00 0.09 H new ATOM 0 HA PHE A 89 0.829 4.640 -10.763 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.713 6.409 -10.617 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.719 4.976 -10.549 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.036 7.447 -8.296 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.247 4.688 -8.770 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.929 8.219 -6.141 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.208 5.467 -6.614 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.054 7.236 -5.302 1.00 0.11 H new ATOM 1382 N SER A 90 2.329 5.846 -9.177 1.00 0.13 N ATOM 1383 CA SER A 90 3.294 6.462 -8.210 1.00 0.14 C ATOM 1384 C SER A 90 3.122 7.981 -8.231 1.00 0.14 C ATOM 1385 O SER A 90 2.112 8.495 -8.671 1.00 0.17 O ATOM 1386 CB SER A 90 4.722 6.110 -8.628 1.00 0.15 C ATOM 1387 OG SER A 90 5.137 6.992 -9.665 1.00 0.16 O ATOM 0 H SER A 90 2.602 5.917 -10.157 1.00 0.13 H new ATOM 0 HA SER A 90 3.103 6.083 -7.206 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.394 6.192 -7.774 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.769 5.077 -8.973 1.00 0.15 H new ATOM 0 HG SER A 90 5.958 7.453 -9.393 1.00 0.16 H new ATOM 1393 N GLY A 91 4.100 8.707 -7.761 1.00 0.12 N ATOM 1394 CA GLY A 91 3.989 10.196 -7.759 1.00 0.13 C ATOM 1395 C GLY A 91 3.186 10.645 -6.538 1.00 0.13 C ATOM 1396 O GLY A 91 2.049 10.260 -6.355 1.00 0.13 O ATOM 0 H GLY A 91 4.970 8.336 -7.379 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.982 10.645 -7.740 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.502 10.536 -8.673 1.00 0.13 H new ATOM 1400 N ALA A 92 3.770 11.453 -5.697 1.00 0.15 N ATOM 1401 CA ALA A 92 3.038 11.920 -4.483 1.00 0.17 C ATOM 1402 C ALA A 92 1.638 12.419 -4.866 1.00 0.15 C ATOM 1403 O ALA A 92 1.455 13.568 -5.215 1.00 0.16 O ATOM 1404 CB ALA A 92 3.825 13.061 -3.817 1.00 0.20 C ATOM 0 H ALA A 92 4.720 11.810 -5.796 1.00 0.15 H new ATOM 0 HA ALA A 92 2.939 11.087 -3.787 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.291 13.402 -2.930 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.813 12.702 -3.529 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.930 13.889 -4.519 1.00 0.20 H new ATOM 1410 N ASN A 93 0.646 11.569 -4.770 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.754 11.992 -5.091 1.00 0.13 C ATOM 1412 C ASN A 93 -1.688 11.384 -4.041 1.00 0.12 C ATOM 1413 O ASN A 93 -2.358 10.397 -4.273 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.147 11.508 -6.491 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.326 12.341 -6.998 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.245 12.628 -6.257 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.335 12.750 -8.234 1.00 1.15 N ATOM 0 H ASN A 93 0.745 10.596 -4.482 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.829 13.079 -5.076 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.301 11.601 -7.172 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.418 10.453 -6.461 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.113 13.311 -8.580 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.564 12.509 -8.856 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.703 11.966 -2.879 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.549 11.446 -1.764 1.00 0.20 C ATOM 1426 C LYS A 94 -4.045 11.550 -2.095 1.00 0.18 C ATOM 1427 O LYS A 94 -4.809 10.648 -1.813 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.242 12.250 -0.493 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.031 13.723 -0.863 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.959 14.576 0.404 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.642 14.309 1.143 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.414 15.385 2.148 1.00 1.19 N ATOM 0 H LYS A 94 -1.156 12.795 -2.646 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.316 10.392 -1.613 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.063 12.156 0.218 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.351 11.855 -0.005 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.112 13.834 -1.438 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.848 14.068 -1.497 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.033 15.632 0.146 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.803 14.347 1.054 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.679 13.337 1.636 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.186 14.276 0.434 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.607 15.504 2.304 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.817 16.278 1.798 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.873 15.126 3.044 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.480 12.637 -2.663 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.930 12.777 -2.971 1.00 0.20 C ATOM 1448 C GLU A 95 -6.351 11.722 -4.000 1.00 0.17 C ATOM 1449 O GLU A 95 -7.498 11.328 -4.065 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.189 14.174 -3.538 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.037 15.214 -2.426 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.486 16.582 -2.943 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.158 16.903 -4.073 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.149 17.285 -2.200 1.00 1.86 O ATOM 0 H GLU A 95 -3.898 13.432 -2.927 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.509 12.634 -2.059 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.489 14.385 -4.346 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.191 14.225 -3.963 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.634 14.927 -1.560 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.999 15.261 -2.096 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.432 11.263 -4.799 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.771 10.235 -5.822 1.00 0.14 C ATOM 1463 C LYS A 96 -6.057 8.905 -5.130 1.00 0.12 C ATOM 1464 O LYS A 96 -6.861 8.120 -5.589 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.599 10.082 -6.799 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.849 8.904 -7.751 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.759 8.864 -8.840 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.121 9.805 -9.996 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.116 9.653 -11.087 1.00 2.05 N ATOM 0 H LYS A 96 -4.455 11.556 -4.789 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.657 10.544 -6.376 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.472 11.001 -7.372 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.674 9.921 -6.245 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.850 7.968 -7.192 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.832 9.001 -8.212 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.799 9.155 -8.413 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.646 7.846 -9.213 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -5.118 9.574 -10.370 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.143 10.837 -9.647 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.358 10.290 -11.873 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.171 9.894 -10.725 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.117 8.670 -11.425 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.407 8.636 -4.028 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.660 7.346 -3.324 1.00 0.11 C ATOM 1485 C LEU A 97 -7.166 7.179 -3.128 1.00 0.11 C ATOM 1486 O LEU A 97 -7.700 6.092 -3.216 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.987 7.362 -1.941 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.485 7.084 -2.065 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.822 7.436 -0.726 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.229 5.586 -2.415 1.00 0.13 C ATOM 0 H LEU A 97 -4.719 9.247 -3.589 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.255 6.527 -3.918 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.144 8.330 -1.466 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.449 6.613 -1.298 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.062 7.689 -2.867 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.751 7.246 -0.790 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.991 8.489 -0.502 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.253 6.823 0.066 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.157 5.410 -2.498 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.640 4.953 -1.629 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.711 5.346 -3.363 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.848 8.251 -2.848 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.320 8.157 -2.627 1.00 0.14 C ATOM 1504 C GLU A 98 -10.024 7.809 -3.939 1.00 0.13 C ATOM 1505 O GLU A 98 -10.751 6.839 -4.028 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.851 9.494 -2.106 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.337 9.350 -1.771 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.813 10.583 -1.000 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.238 11.640 -1.201 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.744 10.449 -0.224 1.00 2.05 O ATOM 0 H GLU A 98 -7.454 9.188 -2.762 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.518 7.375 -1.893 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.294 9.799 -1.220 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.709 10.272 -2.856 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.917 9.235 -2.687 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.500 8.451 -1.176 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.823 8.601 -4.955 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.488 8.329 -6.259 1.00 0.14 C ATOM 1519 C ALA A 99 -10.112 6.936 -6.771 1.00 0.12 C ATOM 1520 O ALA A 99 -10.926 6.243 -7.342 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.051 9.380 -7.281 1.00 0.15 C ATOM 0 H ALA A 99 -9.225 9.427 -4.938 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.568 8.373 -6.119 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.537 9.182 -8.237 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.335 10.371 -6.928 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.969 9.336 -7.408 1.00 0.15 H new ATOM 1527 N THR A 100 -8.887 6.524 -6.585 1.00 0.11 N ATOM 1528 CA THR A 100 -8.471 5.179 -7.081 1.00 0.11 C ATOM 1529 C THR A 100 -9.187 4.083 -6.286 1.00 0.10 C ATOM 1530 O THR A 100 -9.695 3.130 -6.842 1.00 0.11 O ATOM 1531 CB THR A 100 -6.959 5.019 -6.921 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.309 6.178 -7.421 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.489 3.790 -7.703 1.00 0.12 C ATOM 0 H THR A 100 -8.158 7.058 -6.113 1.00 0.11 H new ATOM 0 HA THR A 100 -8.738 5.090 -8.134 1.00 0.11 H new ATOM 0 HB THR A 100 -6.715 4.890 -5.867 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.437 6.921 -6.795 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.411 3.676 -7.589 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.990 2.901 -7.320 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.731 3.916 -8.758 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.231 4.214 -4.993 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.913 3.184 -4.155 1.00 0.11 C ATOM 1543 C ILE A 101 -11.397 3.125 -4.534 1.00 0.13 C ATOM 1544 O ILE A 101 -11.924 2.076 -4.841 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.764 3.570 -2.675 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.294 3.381 -2.244 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.675 2.683 -1.816 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.985 4.211 -0.989 1.00 0.18 C ATOM 0 H ILE A 101 -8.823 4.992 -4.475 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.464 2.205 -4.322 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.051 4.613 -2.539 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.101 2.327 -2.045 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.631 3.679 -3.056 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.567 2.959 -0.767 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.712 2.821 -2.123 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.394 1.638 -1.947 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.944 4.063 -0.702 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.157 5.267 -1.199 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.635 3.893 -0.173 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.072 4.241 -4.513 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.522 4.245 -4.865 1.00 0.17 C ATOM 1562 C ASN A 102 -13.711 3.730 -6.293 1.00 0.18 C ATOM 1563 O ASN A 102 -14.802 3.378 -6.696 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.065 5.673 -4.767 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.592 5.646 -4.850 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.176 4.631 -5.173 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.268 6.727 -4.570 1.00 1.03 N ATOM 0 H ASN A 102 -11.683 5.151 -4.267 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.061 3.597 -4.173 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.749 6.130 -3.829 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.657 6.284 -5.572 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.287 6.719 -4.622 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.778 7.579 -4.299 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.662 3.690 -7.066 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.789 3.206 -8.469 1.00 0.18 C ATOM 1576 C GLU A 103 -12.911 1.678 -8.486 1.00 0.19 C ATOM 1577 O GLU A 103 -13.880 1.127 -8.970 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.546 3.627 -9.266 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.857 3.595 -10.765 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.721 4.803 -11.133 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.423 5.888 -10.659 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.667 4.624 -11.883 1.00 2.01 O ATOM 0 H GLU A 103 -11.722 3.972 -6.787 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.681 3.641 -8.920 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.235 4.629 -8.971 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.715 2.957 -9.043 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.931 3.608 -11.340 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.377 2.671 -11.020 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.921 0.993 -7.980 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.954 -0.501 -7.979 1.00 0.19 C ATOM 1591 C LEU A 104 -12.546 -1.022 -6.664 1.00 0.19 C ATOM 1592 O LEU A 104 -12.371 -2.172 -6.313 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.522 -1.023 -8.140 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.921 -0.499 -9.453 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.403 -0.697 -9.426 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.517 -1.253 -10.654 1.00 0.35 C ATOM 0 H LEU A 104 -11.086 1.405 -7.565 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.578 -0.850 -8.802 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.911 -0.702 -7.296 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.520 -2.113 -8.138 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.156 0.561 -9.554 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.971 -0.327 -10.356 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.979 -0.148 -8.585 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.176 -1.758 -9.318 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.081 -0.870 -11.577 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.296 -2.316 -10.562 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.597 -1.108 -10.675 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.254 -0.198 -5.938 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.855 -0.674 -4.657 1.00 0.22 C ATOM 1610 C VAL A 105 -14.895 -1.754 -4.957 1.00 0.26 C ATOM 1611 O VAL A 105 -15.138 -2.573 -4.086 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.529 0.491 -3.929 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.640 1.072 -4.806 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.127 -0.014 -2.615 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.433 -1.744 -6.052 1.00 1.18 O ATOM 0 H VAL A 105 -13.441 0.777 -6.174 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.068 -1.084 -4.023 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.792 1.267 -3.722 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.118 1.901 -4.285 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.214 1.429 -5.744 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.380 0.300 -5.015 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.608 0.813 -2.093 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.864 -0.789 -2.825 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.335 -0.426 -1.990 1.00 0.27 H new ATOM 1692 N ARG B 4 18.152 2.859 -2.016 1.00 0.00 N ATOM 1693 CA ARG B 4 17.870 2.079 -3.261 1.00 0.00 C ATOM 1694 C ARG B 4 17.762 3.043 -4.455 1.00 0.00 C ATOM 1695 O ARG B 4 18.704 3.197 -5.209 1.00 0.00 O ATOM 1696 CB ARG B 4 16.566 1.284 -3.081 1.00 0.00 C ATOM 1697 CG ARG B 4 16.572 0.041 -3.993 1.00 0.00 C ATOM 1698 CD ARG B 4 17.326 -1.122 -3.336 1.00 0.00 C ATOM 1699 NE ARG B 4 17.028 -2.371 -4.093 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.763 -3.435 -3.925 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.772 -3.408 -3.100 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.489 -4.527 -4.586 1.00 0.00 N ATOM 0 HA ARG B 4 18.681 1.377 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.457 0.980 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.710 1.915 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.547 -0.261 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.038 0.288 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.398 -0.926 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.022 -1.229 -2.295 1.00 0.00 H new ATOM 0 HE ARG B 4 16.245 -2.394 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.987 -2.554 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG B 4 19.346 -4.241 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.701 -4.547 -5.233 1.00 0.00 H new ATOM 0 HH22 ARG B 4 18.063 -5.360 -4.455 1.00 0.00 H new ATOM 1716 N TYR B 5 16.635 3.704 -4.631 1.00 0.00 N ATOM 1717 CA TYR B 5 16.489 4.672 -5.778 1.00 0.00 C ATOM 1718 C TYR B 5 15.906 6.010 -5.289 1.00 0.00 C ATOM 1719 O TYR B 5 15.906 6.305 -4.110 1.00 0.00 O ATOM 1720 CB TYR B 5 15.626 4.065 -6.905 1.00 0.00 C ATOM 1721 CG TYR B 5 14.485 3.250 -6.354 1.00 0.00 C ATOM 1722 CD1 TYR B 5 13.248 3.859 -6.098 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.647 1.868 -6.133 1.00 0.00 C ATOM 1724 CE1 TYR B 5 12.175 3.092 -5.615 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.570 1.101 -5.646 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.335 1.715 -5.387 1.00 0.00 C ATOM 1727 OH TYR B 5 11.281 0.968 -4.907 1.00 0.00 O ATOM 0 H TYR B 5 15.813 3.616 -4.034 1.00 0.00 H new ATOM 0 HA TYR B 5 17.480 4.867 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.233 4.864 -7.533 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.248 3.436 -7.542 1.00 0.00 H new ATOM 0 HD1 TYR B 5 13.120 4.917 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR B 5 15.597 1.396 -6.337 1.00 0.00 H new ATOM 0 HE1 TYR B 5 11.223 3.563 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR B 5 13.695 0.042 -5.472 1.00 0.00 H new ATOM 0 HH TYR B 5 11.613 0.106 -4.581 1.00 0.00 H new ATOM 1737 N VAL B 6 15.472 6.849 -6.199 1.00 0.00 N ATOM 1738 CA VAL B 6 14.960 8.205 -5.811 1.00 0.00 C ATOM 1739 C VAL B 6 13.513 8.175 -5.299 1.00 0.00 C ATOM 1740 O VAL B 6 12.697 7.370 -5.709 1.00 0.00 O ATOM 1741 CB VAL B 6 15.016 9.123 -7.037 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.998 10.586 -6.592 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.295 8.846 -7.821 1.00 0.00 C ATOM 0 H VAL B 6 15.450 6.653 -7.200 1.00 0.00 H new ATOM 0 HA VAL B 6 15.592 8.568 -5.000 1.00 0.00 H new ATOM 0 HB VAL B 6 14.150 8.930 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.038 11.233 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.083 10.786 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.861 10.783 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.336 9.498 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.160 9.036 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.305 7.805 -8.146 1.00 0.00 H new ATOM 1753 N CYS B 7 13.193 9.100 -4.421 1.00 0.00 N ATOM 1754 CA CYS B 7 11.806 9.207 -3.882 1.00 0.00 C ATOM 1755 C CYS B 7 11.090 10.368 -4.574 1.00 0.00 C ATOM 1756 O CYS B 7 11.203 11.506 -4.162 1.00 0.00 O ATOM 1757 CB CYS B 7 11.844 9.470 -2.370 1.00 0.00 C ATOM 1758 SG CYS B 7 13.146 8.479 -1.600 1.00 0.00 S ATOM 0 H CYS B 7 13.846 9.792 -4.054 1.00 0.00 H new ATOM 0 HA CYS B 7 11.277 8.273 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.022 10.529 -2.181 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.879 9.225 -1.926 1.00 0.00 H new ATOM 1763 N GLU B 8 10.358 10.104 -5.621 1.00 0.00 N ATOM 1764 CA GLU B 8 9.650 11.216 -6.321 1.00 0.00 C ATOM 1765 C GLU B 8 8.330 11.523 -5.611 1.00 0.00 C ATOM 1766 O GLU B 8 7.284 11.639 -6.226 1.00 0.00 O ATOM 1767 CB GLU B 8 9.382 10.825 -7.778 1.00 0.00 C ATOM 1768 CG GLU B 8 8.983 9.352 -7.846 1.00 0.00 C ATOM 1769 CD GLU B 8 8.358 9.053 -9.213 1.00 0.00 C ATOM 1770 OE1 GLU B 8 9.037 9.248 -10.208 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.214 8.632 -9.240 1.00 0.00 O ATOM 0 H GLU B 8 10.219 9.176 -6.020 1.00 0.00 H new ATOM 0 HA GLU B 8 10.278 12.107 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.589 11.447 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.272 11.000 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.857 8.720 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.274 9.120 -7.052 1.00 0.00 H new ATOM 1778 N GLY B 9 8.377 11.692 -4.322 1.00 0.00 N ATOM 1779 CA GLY B 9 7.138 12.036 -3.580 1.00 0.00 C ATOM 1780 C GLY B 9 6.856 13.528 -3.849 1.00 0.00 C ATOM 1781 O GLY B 9 6.860 13.926 -4.998 1.00 0.00 O ATOM 0 H GLY B 9 9.218 11.607 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.304 11.419 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.263 11.853 -2.513 1.00 0.00 H new ATOM 1785 N PRO B 10 6.653 14.346 -2.826 1.00 0.00 N ATOM 1786 CA PRO B 10 6.425 15.782 -3.059 1.00 0.00 C ATOM 1787 C PRO B 10 7.729 16.418 -3.575 1.00 0.00 C ATOM 1788 O PRO B 10 7.975 17.593 -3.393 1.00 0.00 O ATOM 1789 CB PRO B 10 6.021 16.355 -1.680 1.00 0.00 C ATOM 1790 CG PRO B 10 6.189 15.212 -0.637 1.00 0.00 C ATOM 1791 CD PRO B 10 6.613 13.939 -1.404 1.00 0.00 C ATOM 0 HA PRO B 10 5.654 15.982 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.648 17.208 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.991 16.710 -1.698 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.940 15.479 0.106 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.255 15.043 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.586 13.581 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.903 13.127 -1.245 1.00 0.00 H new ATOM 1799 N SER B 11 8.565 15.639 -4.212 1.00 0.00 N ATOM 1800 CA SER B 11 9.848 16.177 -4.737 1.00 0.00 C ATOM 1801 C SER B 11 9.593 16.876 -6.075 1.00 0.00 C ATOM 1802 O SER B 11 10.377 17.692 -6.519 1.00 0.00 O ATOM 1803 CB SER B 11 10.837 15.022 -4.939 1.00 0.00 C ATOM 1804 OG SER B 11 12.127 15.553 -5.212 1.00 0.00 O ATOM 0 H SER B 11 8.409 14.647 -4.390 1.00 0.00 H new ATOM 0 HA SER B 11 10.266 16.892 -4.028 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.870 14.396 -4.048 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.510 14.387 -5.763 1.00 0.00 H new ATOM 0 HG SER B 11 12.763 14.818 -5.340 1.00 0.00 H new