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 Set 1.1: A 96 LYS NZ :NH3+ -132:sc= -0.104 (180deg=-0.605) USER MOD Set 1.2: A 100 THR OG1 : rot -20:sc= -0.0492 USER MOD Set 2.1: A 48 LYS NZ :NH3+ 162:sc= 1.28 (180deg=0.97) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -122:sc= -1.04 (180deg=-2.86!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.21) 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 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 53:sc= 0.355 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00911) USER MOD Single : A 43 HIS : no HD1:sc= -0.562 K(o=-0.56,f=-0.051) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 117:sc= 0.0143 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.87) USER MOD Single : A 63 GLN : amide:sc= -2.93! C(o=-2.9!,f=-2.3!) USER MOD Single : A 67 SER OG : rot 65:sc= 1.01 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= 0.0688 (180deg=-0.661) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 76 THR OG1 : rot -48:sc= -0.587 USER MOD Single : A 78 GLN : amide:sc= -4.01! C(o=-4!,f=-3.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.799 K(o=-0.8,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 137:sc= 1.11 USER MOD Single : A 93 ASN : amide:sc= -4.29! K(o=-4.3!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= 1.51 (180deg=1.19) USER MOD Single : A 102 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.86) USER MOD Single : B 5 TYR OH : rot 10:sc= -3.27! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.940 -1.810 9.047 1.00 0.24 N ATOM 21 CA VAL A 2 -2.705 -1.770 8.206 1.00 0.19 C ATOM 22 C VAL A 2 -1.914 -3.070 8.396 1.00 0.22 C ATOM 23 O VAL A 2 -2.195 -3.853 9.280 1.00 0.28 O ATOM 24 CB VAL A 2 -1.847 -0.571 8.632 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.690 -0.377 7.645 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.717 0.690 8.652 1.00 0.30 C ATOM 0 HA VAL A 2 -2.976 -1.668 7.155 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.440 -0.755 9.626 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.086 0.476 7.955 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.070 -1.274 7.630 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.089 -0.195 6.647 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.112 1.545 8.954 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.124 0.867 7.656 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.535 0.556 9.360 1.00 0.30 H new ATOM 36 N LYS A 3 -0.925 -3.306 7.571 1.00 0.18 N ATOM 37 CA LYS A 3 -0.115 -4.556 7.702 1.00 0.22 C ATOM 38 C LYS A 3 1.285 -4.297 7.134 1.00 0.16 C ATOM 39 O LYS A 3 1.443 -3.969 5.975 1.00 0.13 O ATOM 40 CB LYS A 3 -0.797 -5.691 6.918 1.00 0.26 C ATOM 41 CG LYS A 3 -0.330 -7.056 7.444 1.00 0.34 C ATOM 42 CD LYS A 3 1.175 -7.237 7.197 1.00 0.81 C ATOM 43 CE LYS A 3 1.527 -8.728 7.206 1.00 1.37 C ATOM 44 NZ LYS A 3 0.924 -9.388 6.014 1.00 1.97 N ATOM 0 H LYS A 3 -0.643 -2.686 6.811 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.037 -4.846 8.750 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.880 -5.608 7.012 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.562 -5.602 5.857 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.542 -7.134 8.510 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.885 -7.853 6.949 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.452 -6.795 6.240 1.00 0.81 H new ATOM 0 HD3 LYS A 3 1.744 -6.715 7.966 1.00 0.81 H new ATOM 0 HE2 LYS A 3 2.609 -8.857 7.198 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.157 -9.194 8.119 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.296 -10.157 6.324 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.376 -8.690 5.471 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.679 -9.778 5.414 1.00 1.97 H new ATOM 58 N GLN A 4 2.301 -4.429 7.944 1.00 0.18 N ATOM 59 CA GLN A 4 3.690 -4.176 7.457 1.00 0.15 C ATOM 60 C GLN A 4 4.266 -5.453 6.836 1.00 0.13 C ATOM 61 O GLN A 4 4.081 -6.544 7.339 1.00 0.14 O ATOM 62 CB GLN A 4 4.558 -3.724 8.644 1.00 0.20 C ATOM 63 CG GLN A 4 6.053 -3.905 8.327 1.00 0.21 C ATOM 64 CD GLN A 4 6.892 -3.053 9.282 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.553 -2.904 10.439 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.981 -2.484 8.843 1.00 0.98 N ATOM 0 H GLN A 4 2.230 -4.702 8.924 1.00 0.18 H new ATOM 0 HA GLN A 4 3.679 -3.396 6.695 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.354 -2.678 8.872 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.297 -4.301 9.532 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.330 -4.955 8.423 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.253 -3.615 7.295 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.266 -2.609 7.872 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.548 -1.914 9.471 1.00 0.98 H new ATOM 75 N ILE A 5 4.975 -5.307 5.746 1.00 0.10 N ATOM 76 CA ILE A 5 5.597 -6.480 5.059 1.00 0.10 C ATOM 77 C ILE A 5 7.114 -6.390 5.251 1.00 0.10 C ATOM 78 O ILE A 5 7.737 -5.431 4.842 1.00 0.11 O ATOM 79 CB ILE A 5 5.277 -6.437 3.549 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.828 -5.966 3.301 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.471 -7.827 2.932 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.821 -7.026 3.757 1.00 0.19 C ATOM 0 H ILE A 5 5.152 -4.409 5.295 1.00 0.10 H new ATOM 0 HA ILE A 5 5.206 -7.408 5.477 1.00 0.10 H new ATOM 0 HB ILE A 5 5.959 -5.727 3.081 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.648 -5.034 3.837 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.686 -5.757 2.241 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.243 -7.787 1.867 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.504 -8.146 3.070 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.804 -8.538 3.420 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.808 -6.669 3.571 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.988 -7.949 3.202 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.949 -7.215 4.823 1.00 0.19 H new ATOM 94 N GLU A 6 7.711 -7.370 5.877 1.00 0.11 N ATOM 95 CA GLU A 6 9.189 -7.334 6.108 1.00 0.14 C ATOM 96 C GLU A 6 9.886 -8.311 5.152 1.00 0.14 C ATOM 97 O GLU A 6 11.081 -8.236 4.941 1.00 0.17 O ATOM 98 CB GLU A 6 9.481 -7.746 7.557 1.00 0.18 C ATOM 99 CG GLU A 6 8.444 -7.128 8.498 1.00 0.31 C ATOM 100 CD GLU A 6 7.128 -7.910 8.416 1.00 1.20 C ATOM 101 OE1 GLU A 6 7.187 -9.116 8.246 1.00 1.97 O ATOM 102 OE2 GLU A 6 6.084 -7.289 8.526 1.00 1.96 O ATOM 0 H GLU A 6 7.238 -8.198 6.240 1.00 0.11 H new ATOM 0 HA GLU A 6 9.561 -6.326 5.927 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.462 -8.832 7.645 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.482 -7.420 7.841 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.819 -7.137 9.522 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.274 -6.085 8.230 1.00 0.31 H new ATOM 109 N SER A 7 9.156 -9.232 4.577 1.00 0.13 N ATOM 110 CA SER A 7 9.792 -10.211 3.643 1.00 0.15 C ATOM 111 C SER A 7 8.773 -10.687 2.605 1.00 0.14 C ATOM 112 O SER A 7 7.578 -10.560 2.784 1.00 0.12 O ATOM 113 CB SER A 7 10.303 -11.412 4.439 1.00 0.20 C ATOM 114 OG SER A 7 9.231 -11.972 5.185 1.00 0.23 O ATOM 0 H SER A 7 8.152 -9.349 4.712 1.00 0.13 H new ATOM 0 HA SER A 7 10.623 -9.726 3.130 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.721 -12.159 3.764 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.105 -11.104 5.109 1.00 0.20 H new ATOM 0 HG SER A 7 9.555 -12.743 5.695 1.00 0.23 H new ATOM 120 N LYS A 8 9.246 -11.236 1.519 1.00 0.15 N ATOM 121 CA LYS A 8 8.323 -11.726 0.456 1.00 0.14 C ATOM 122 C LYS A 8 7.284 -12.675 1.062 1.00 0.14 C ATOM 123 O LYS A 8 6.161 -12.755 0.604 1.00 0.13 O ATOM 124 CB LYS A 8 9.132 -12.470 -0.610 1.00 0.17 C ATOM 125 CG LYS A 8 8.270 -12.678 -1.857 1.00 0.21 C ATOM 126 CD LYS A 8 8.961 -13.671 -2.795 1.00 0.22 C ATOM 127 CE LYS A 8 8.113 -13.862 -4.054 1.00 1.06 C ATOM 128 NZ LYS A 8 8.724 -14.920 -4.908 1.00 1.90 N ATOM 0 H LYS A 8 10.238 -11.367 1.322 1.00 0.15 H new ATOM 0 HA LYS A 8 7.810 -10.877 0.005 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.026 -11.901 -0.865 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.466 -13.432 -0.222 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.286 -13.053 -1.574 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.114 -11.727 -2.367 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.952 -13.304 -3.064 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.101 -14.627 -2.290 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.096 -14.142 -3.781 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.048 -12.925 -4.607 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.148 -15.051 -5.764 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.687 -14.635 -5.178 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.764 -15.814 -4.378 1.00 1.90 H new ATOM 142 N THR A 9 7.649 -13.405 2.079 1.00 0.16 N ATOM 143 CA THR A 9 6.682 -14.354 2.700 1.00 0.18 C ATOM 144 C THR A 9 5.455 -13.592 3.210 1.00 0.16 C ATOM 145 O THR A 9 4.330 -14.015 3.030 1.00 0.17 O ATOM 146 CB THR A 9 7.355 -15.074 3.865 1.00 0.21 C ATOM 147 OG1 THR A 9 8.633 -15.541 3.459 1.00 0.24 O ATOM 148 CG2 THR A 9 6.492 -16.257 4.308 1.00 0.25 C ATOM 0 H THR A 9 8.575 -13.386 2.507 1.00 0.16 H new ATOM 0 HA THR A 9 6.365 -15.082 1.953 1.00 0.18 H new ATOM 0 HB THR A 9 7.470 -14.382 4.699 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.066 -16.002 4.208 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.976 -16.769 5.140 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.513 -15.895 4.624 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.371 -16.951 3.476 1.00 0.25 H new ATOM 156 N ALA A 10 5.665 -12.476 3.848 1.00 0.16 N ATOM 157 CA ALA A 10 4.516 -11.685 4.378 1.00 0.17 C ATOM 158 C ALA A 10 3.730 -11.063 3.218 1.00 0.15 C ATOM 159 O ALA A 10 2.550 -10.799 3.331 1.00 0.17 O ATOM 160 CB ALA A 10 5.049 -10.581 5.298 1.00 0.20 C ATOM 0 H ALA A 10 6.585 -12.074 4.027 1.00 0.16 H new ATOM 0 HA ALA A 10 3.851 -12.340 4.940 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.215 -9.999 5.689 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.597 -11.030 6.126 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.715 -9.927 4.734 1.00 0.20 H new ATOM 166 N PHE A 11 4.372 -10.818 2.109 1.00 0.12 N ATOM 167 CA PHE A 11 3.651 -10.203 0.956 1.00 0.11 C ATOM 168 C PHE A 11 2.492 -11.104 0.521 1.00 0.13 C ATOM 169 O PHE A 11 1.341 -10.725 0.600 1.00 0.16 O ATOM 170 CB PHE A 11 4.621 -10.008 -0.214 1.00 0.10 C ATOM 171 CG PHE A 11 3.865 -9.499 -1.423 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.337 -8.194 -1.422 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.690 -10.327 -2.550 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.636 -7.717 -2.546 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.988 -9.849 -3.673 1.00 0.18 C ATOM 176 CZ PHE A 11 2.461 -8.544 -3.670 1.00 0.21 C ATOM 0 H PHE A 11 5.360 -11.015 1.950 1.00 0.12 H new ATOM 0 HA PHE A 11 3.253 -9.235 1.261 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.403 -9.300 0.063 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.114 -10.951 -0.451 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.470 -7.559 -0.559 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.094 -11.328 -2.552 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.232 -6.715 -2.545 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.854 -10.484 -4.537 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.922 -8.178 -4.531 1.00 0.21 H new ATOM 186 N GLN A 12 2.784 -12.285 0.055 1.00 0.15 N ATOM 187 CA GLN A 12 1.693 -13.194 -0.393 1.00 0.19 C ATOM 188 C GLN A 12 0.703 -13.412 0.752 1.00 0.17 C ATOM 189 O GLN A 12 -0.497 -13.360 0.566 1.00 0.16 O ATOM 190 CB GLN A 12 2.292 -14.539 -0.811 1.00 0.24 C ATOM 191 CG GLN A 12 3.213 -14.336 -2.016 1.00 1.21 C ATOM 192 CD GLN A 12 3.681 -15.697 -2.536 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.553 -16.314 -1.958 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.134 -16.195 -3.611 1.00 2.47 N ATOM 0 H GLN A 12 3.728 -12.660 -0.035 1.00 0.15 H new ATOM 0 HA GLN A 12 1.173 -12.746 -1.240 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.851 -14.973 0.018 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.497 -15.241 -1.062 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.686 -13.796 -2.803 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.072 -13.728 -1.732 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.402 -15.678 -4.097 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.439 -17.102 -3.965 1.00 2.47 H new ATOM 203 N GLU A 13 1.194 -13.656 1.934 1.00 0.19 N ATOM 204 CA GLU A 13 0.285 -13.880 3.090 1.00 0.20 C ATOM 205 C GLU A 13 -0.615 -12.654 3.293 1.00 0.18 C ATOM 206 O GLU A 13 -1.763 -12.775 3.671 1.00 0.19 O ATOM 207 CB GLU A 13 1.128 -14.120 4.348 1.00 0.25 C ATOM 208 CG GLU A 13 1.624 -15.569 4.374 1.00 0.30 C ATOM 209 CD GLU A 13 0.458 -16.506 4.693 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.577 -16.012 5.106 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.620 -17.703 4.516 1.00 2.03 O ATOM 0 H GLU A 13 2.190 -13.710 2.149 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.344 -14.749 2.898 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.976 -13.436 4.364 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.535 -13.913 5.239 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.061 -15.831 3.411 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.409 -15.682 5.122 1.00 0.30 H new ATOM 218 N ALA A 14 -0.105 -11.476 3.053 1.00 0.18 N ATOM 219 CA ALA A 14 -0.940 -10.255 3.246 1.00 0.18 C ATOM 220 C ALA A 14 -2.157 -10.308 2.312 1.00 0.18 C ATOM 221 O ALA A 14 -3.271 -10.033 2.713 1.00 0.19 O ATOM 222 CB ALA A 14 -0.102 -9.013 2.937 1.00 0.20 C ATOM 0 H ALA A 14 0.849 -11.306 2.733 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.286 -10.210 4.279 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.710 -8.119 3.077 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.756 -8.977 3.608 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.246 -9.056 1.905 1.00 0.20 H new ATOM 228 N LEU A 15 -1.949 -10.658 1.071 1.00 0.17 N ATOM 229 CA LEU A 15 -3.087 -10.731 0.105 1.00 0.18 C ATOM 230 C LEU A 15 -4.088 -11.793 0.568 1.00 0.18 C ATOM 231 O LEU A 15 -5.285 -11.585 0.539 1.00 0.18 O ATOM 232 CB LEU A 15 -2.549 -11.096 -1.287 1.00 0.19 C ATOM 233 CG LEU A 15 -1.251 -10.328 -1.561 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.827 -10.545 -3.017 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.472 -8.833 -1.313 1.00 0.62 C ATOM 0 H LEU A 15 -1.037 -10.898 0.682 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.589 -9.764 0.058 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.367 -12.169 -1.346 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.292 -10.856 -2.048 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.470 -10.693 -0.894 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.096 -9.999 -3.212 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.664 -11.608 -3.194 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.611 -10.182 -3.682 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.547 -8.291 -1.509 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.255 -8.466 -1.976 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.772 -8.676 -0.277 1.00 0.62 H new ATOM 247 N ASP A 16 -3.608 -12.930 0.987 1.00 0.19 N ATOM 248 CA ASP A 16 -4.533 -14.004 1.446 1.00 0.21 C ATOM 249 C ASP A 16 -5.275 -13.548 2.706 1.00 0.20 C ATOM 250 O ASP A 16 -6.443 -13.831 2.885 1.00 0.20 O ATOM 251 CB ASP A 16 -3.729 -15.268 1.758 1.00 0.24 C ATOM 252 CG ASP A 16 -4.687 -16.436 2.002 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.719 -16.477 1.352 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.373 -17.270 2.836 1.00 1.07 O ATOM 0 H ASP A 16 -2.616 -13.162 1.032 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.258 -14.215 0.659 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.060 -15.500 0.929 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.104 -15.107 2.637 1.00 0.24 H new ATOM 259 N ALA A 17 -4.609 -12.851 3.586 1.00 0.22 N ATOM 260 CA ALA A 17 -5.285 -12.387 4.833 1.00 0.24 C ATOM 261 C ALA A 17 -6.106 -11.129 4.536 1.00 0.21 C ATOM 262 O ALA A 17 -7.004 -10.775 5.274 1.00 0.22 O ATOM 263 CB ALA A 17 -4.229 -12.068 5.894 1.00 0.30 C ATOM 0 H ALA A 17 -3.629 -12.583 3.497 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.947 -13.171 5.200 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.720 -11.729 6.806 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.646 -12.964 6.108 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.568 -11.284 5.525 1.00 0.30 H new ATOM 269 N ALA A 18 -5.803 -10.449 3.464 1.00 0.21 N ATOM 270 CA ALA A 18 -6.565 -9.213 3.121 1.00 0.22 C ATOM 271 C ALA A 18 -7.997 -9.581 2.729 1.00 0.21 C ATOM 272 O ALA A 18 -8.813 -8.723 2.455 1.00 0.24 O ATOM 273 CB ALA A 18 -5.882 -8.507 1.948 1.00 0.23 C ATOM 0 H ALA A 18 -5.060 -10.696 2.810 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.588 -8.550 3.986 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.436 -7.603 1.695 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -4.862 -8.241 2.227 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.860 -9.173 1.085 1.00 0.23 H new ATOM 279 N GLY A 19 -8.311 -10.846 2.693 1.00 0.22 N ATOM 280 CA GLY A 19 -9.692 -11.254 2.314 1.00 0.24 C ATOM 281 C GLY A 19 -9.933 -10.909 0.844 1.00 0.20 C ATOM 282 O GLY A 19 -9.088 -11.135 0.001 1.00 0.28 O ATOM 0 H GLY A 19 -7.673 -11.612 2.909 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.825 -12.324 2.475 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.421 -10.744 2.944 1.00 0.24 H new ATOM 286 N ASP A 20 -11.080 -10.359 0.530 1.00 0.13 N ATOM 287 CA ASP A 20 -11.391 -9.989 -0.887 1.00 0.18 C ATOM 288 C ASP A 20 -11.568 -8.475 -0.995 1.00 0.15 C ATOM 289 O ASP A 20 -11.919 -7.957 -2.035 1.00 0.22 O ATOM 290 CB ASP A 20 -12.684 -10.683 -1.320 1.00 0.26 C ATOM 291 CG ASP A 20 -12.583 -12.181 -1.027 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.611 -12.580 -0.406 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.480 -12.906 -1.430 1.00 2.21 O ATOM 0 H ASP A 20 -11.820 -10.149 1.199 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.571 -10.305 -1.532 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.534 -10.255 -0.789 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.857 -10.521 -2.384 1.00 0.26 H new ATOM 298 N LYS A 21 -11.321 -7.759 0.067 1.00 0.12 N ATOM 299 CA LYS A 21 -11.468 -6.282 0.007 1.00 0.19 C ATOM 300 C LYS A 21 -10.355 -5.704 -0.860 1.00 0.15 C ATOM 301 O LYS A 21 -9.428 -6.393 -1.239 1.00 0.15 O ATOM 302 CB LYS A 21 -11.359 -5.714 1.420 1.00 0.27 C ATOM 303 CG LYS A 21 -12.664 -5.969 2.170 1.00 0.29 C ATOM 304 CD LYS A 21 -12.439 -5.741 3.658 1.00 0.30 C ATOM 305 CE LYS A 21 -13.744 -6.000 4.397 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.516 -5.909 5.866 1.00 1.90 N ATOM 0 H LYS A 21 -11.025 -8.133 0.969 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.436 -6.021 -0.420 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.526 -6.179 1.948 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.153 -4.644 1.379 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.445 -5.304 1.802 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.005 -6.989 1.994 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.658 -6.405 4.028 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.100 -4.720 3.836 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.497 -5.274 4.091 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.129 -6.987 4.140 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.410 -6.086 6.368 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -12.811 -6.618 6.153 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.168 -4.959 6.105 1.00 1.90 H new ATOM 320 N LEU A 22 -10.433 -4.444 -1.171 1.00 0.13 N ATOM 321 CA LEU A 22 -9.368 -3.830 -2.008 1.00 0.11 C ATOM 322 C LEU A 22 -8.058 -3.861 -1.202 1.00 0.10 C ATOM 323 O LEU A 22 -8.073 -4.015 0.003 1.00 0.11 O ATOM 324 CB LEU A 22 -9.775 -2.379 -2.347 1.00 0.12 C ATOM 325 CG LEU A 22 -9.457 -2.009 -3.811 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.711 -0.506 -4.000 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.993 -2.319 -4.160 1.00 0.11 C ATOM 0 H LEU A 22 -11.183 -3.815 -0.885 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.230 -4.375 -2.942 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.842 -2.252 -2.166 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.254 -1.692 -1.680 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.096 -2.599 -4.469 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.491 -0.227 -5.030 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.755 -0.283 -3.778 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.068 0.059 -3.326 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.801 -2.047 -5.198 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.334 -1.746 -3.507 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.804 -3.384 -4.023 1.00 0.11 H new ATOM 339 N VAL A 23 -6.930 -3.717 -1.846 1.00 0.08 N ATOM 340 CA VAL A 23 -5.631 -3.740 -1.104 1.00 0.09 C ATOM 341 C VAL A 23 -4.645 -2.769 -1.762 1.00 0.08 C ATOM 342 O VAL A 23 -4.103 -3.042 -2.815 1.00 0.09 O ATOM 343 CB VAL A 23 -5.049 -5.157 -1.142 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.929 -5.279 -0.106 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.151 -6.170 -0.821 1.00 0.10 C ATOM 0 H VAL A 23 -6.850 -3.584 -2.854 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.800 -3.440 -0.070 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.648 -5.357 -2.136 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.516 -6.287 -0.134 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.143 -4.558 -0.333 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.329 -5.078 0.888 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.738 -7.178 -0.848 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.552 -5.969 0.172 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.949 -6.085 -1.559 1.00 0.10 H new ATOM 355 N VAL A 24 -4.400 -1.641 -1.139 1.00 0.08 N ATOM 356 CA VAL A 24 -3.440 -0.646 -1.711 1.00 0.08 C ATOM 357 C VAL A 24 -2.124 -0.731 -0.938 1.00 0.08 C ATOM 358 O VAL A 24 -2.101 -0.697 0.277 1.00 0.08 O ATOM 359 CB VAL A 24 -4.023 0.764 -1.593 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.207 1.731 -2.454 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.478 0.757 -2.071 1.00 0.09 C ATOM 0 H VAL A 24 -4.826 -1.366 -0.254 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.264 -0.865 -2.764 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.984 1.086 -0.552 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.624 2.735 -2.369 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.172 1.738 -2.112 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.243 1.410 -3.495 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.893 1.761 -1.987 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.518 0.434 -3.111 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.060 0.071 -1.455 1.00 0.09 H new ATOM 371 N VAL A 25 -1.030 -0.864 -1.640 1.00 0.09 N ATOM 372 CA VAL A 25 0.303 -0.980 -0.973 1.00 0.09 C ATOM 373 C VAL A 25 1.075 0.324 -1.140 1.00 0.10 C ATOM 374 O VAL A 25 1.064 0.930 -2.192 1.00 0.17 O ATOM 375 CB VAL A 25 1.094 -2.109 -1.639 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.265 -2.525 -0.744 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.172 -3.308 -1.872 1.00 0.09 C ATOM 0 H VAL A 25 -1.002 -0.898 -2.659 1.00 0.09 H new ATOM 0 HA VAL A 25 0.162 -1.189 0.087 1.00 0.09 H new ATOM 0 HB VAL A 25 1.485 -1.759 -2.595 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.823 -3.329 -1.225 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.923 -1.671 -0.586 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.884 -2.872 0.216 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.734 -4.113 -2.346 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.222 -3.655 -0.917 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.654 -3.012 -2.519 1.00 0.09 H new ATOM 387 N ASP A 26 1.754 0.747 -0.111 1.00 0.08 N ATOM 388 CA ASP A 26 2.552 2.005 -0.186 1.00 0.08 C ATOM 389 C ASP A 26 4.041 1.660 -0.174 1.00 0.08 C ATOM 390 O ASP A 26 4.628 1.442 0.867 1.00 0.09 O ATOM 391 CB ASP A 26 2.224 2.883 1.023 1.00 0.09 C ATOM 392 CG ASP A 26 3.131 4.116 1.024 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.582 4.496 -0.044 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.360 4.658 2.093 1.00 0.96 O ATOM 0 H ASP A 26 1.791 0.270 0.790 1.00 0.08 H new ATOM 0 HA ASP A 26 2.309 2.541 -1.104 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.178 3.189 0.990 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.362 2.317 1.944 1.00 0.09 H new ATOM 399 N PHE A 27 4.665 1.623 -1.320 1.00 0.08 N ATOM 400 CA PHE A 27 6.120 1.309 -1.364 1.00 0.09 C ATOM 401 C PHE A 27 6.878 2.602 -1.090 1.00 0.11 C ATOM 402 O PHE A 27 7.293 3.292 -2.000 1.00 0.13 O ATOM 403 CB PHE A 27 6.496 0.812 -2.759 1.00 0.10 C ATOM 404 CG PHE A 27 6.061 -0.623 -2.953 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.733 -0.920 -3.312 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.996 -1.663 -2.796 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.341 -2.260 -3.512 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.604 -3.000 -2.999 1.00 0.21 C ATOM 409 CZ PHE A 27 5.278 -3.297 -3.356 1.00 0.23 C ATOM 0 H PHE A 27 4.230 1.797 -2.226 1.00 0.08 H new ATOM 0 HA PHE A 27 6.364 0.542 -0.629 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.028 1.444 -3.514 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.574 0.892 -2.900 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.015 -0.123 -3.434 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.015 -1.435 -2.520 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.322 -2.490 -3.785 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.323 -3.797 -2.880 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.978 -4.323 -3.511 1.00 0.23 H new ATOM 419 N SER A 28 7.043 2.941 0.158 1.00 0.11 N ATOM 420 CA SER A 28 7.754 4.201 0.518 1.00 0.12 C ATOM 421 C SER A 28 9.098 3.860 1.153 1.00 0.10 C ATOM 422 O SER A 28 9.589 2.754 1.045 1.00 0.11 O ATOM 423 CB SER A 28 6.895 4.975 1.522 1.00 0.17 C ATOM 424 OG SER A 28 5.780 5.539 0.845 1.00 1.03 O ATOM 0 H SER A 28 6.712 2.394 0.953 1.00 0.11 H new ATOM 0 HA SER A 28 7.922 4.806 -0.373 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.555 4.311 2.317 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.485 5.761 1.994 1.00 0.17 H new ATOM 0 HG SER A 28 5.314 4.838 0.343 1.00 1.03 H new ATOM 430 N ALA A 29 9.690 4.807 1.821 1.00 0.10 N ATOM 431 CA ALA A 29 11.006 4.569 2.484 1.00 0.15 C ATOM 432 C ALA A 29 10.993 5.269 3.846 1.00 0.18 C ATOM 433 O ALA A 29 10.796 6.464 3.944 1.00 0.26 O ATOM 434 CB ALA A 29 12.125 5.138 1.604 1.00 0.19 C ATOM 0 H ALA A 29 9.316 5.749 1.939 1.00 0.10 H new ATOM 0 HA ALA A 29 11.179 3.502 2.623 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.088 4.967 2.084 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.111 4.644 0.633 1.00 0.19 H new ATOM 0 HB3 ALA A 29 11.973 6.209 1.469 1.00 0.19 H new ATOM 440 N THR A 30 11.169 4.518 4.897 1.00 0.18 N ATOM 441 CA THR A 30 11.136 5.111 6.267 1.00 0.23 C ATOM 442 C THR A 30 12.279 6.115 6.457 1.00 0.26 C ATOM 443 O THR A 30 12.195 7.007 7.277 1.00 0.31 O ATOM 444 CB THR A 30 11.273 3.990 7.301 1.00 0.26 C ATOM 445 OG1 THR A 30 11.120 4.530 8.606 1.00 0.32 O ATOM 446 CG2 THR A 30 12.653 3.342 7.174 1.00 0.28 C ATOM 0 H THR A 30 11.336 3.512 4.868 1.00 0.18 H new ATOM 0 HA THR A 30 10.189 5.635 6.398 1.00 0.23 H new ATOM 0 HB THR A 30 10.503 3.238 7.126 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.206 3.813 9.269 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.750 2.544 7.910 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.770 2.928 6.173 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.425 4.092 7.348 1.00 0.28 H new ATOM 454 N TRP A 31 13.349 5.979 5.720 1.00 0.26 N ATOM 455 CA TRP A 31 14.493 6.929 5.884 1.00 0.32 C ATOM 456 C TRP A 31 14.311 8.135 4.961 1.00 0.32 C ATOM 457 O TRP A 31 15.005 9.126 5.078 1.00 0.36 O ATOM 458 CB TRP A 31 15.798 6.214 5.529 1.00 0.34 C ATOM 459 CG TRP A 31 15.834 5.921 4.064 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.402 4.776 3.490 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.316 6.767 2.983 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.603 4.856 2.123 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.157 6.067 1.757 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.875 8.065 2.946 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.540 6.635 0.534 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.260 8.641 1.719 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.093 7.927 0.514 1.00 0.40 C ATOM 0 H TRP A 31 13.482 5.255 5.014 1.00 0.26 H new ATOM 0 HA TRP A 31 14.526 7.272 6.918 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.650 6.835 5.806 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.881 5.287 6.096 1.00 0.34 H new ATOM 0 HD1 TRP A 31 14.970 3.935 4.013 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.370 4.111 1.466 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.008 8.619 3.864 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.411 6.084 -0.386 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.685 9.634 1.701 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.390 8.373 -0.424 1.00 0.40 H new ATOM 478 N CYS A 32 13.399 8.052 4.030 1.00 0.28 N ATOM 479 CA CYS A 32 13.187 9.183 3.078 1.00 0.30 C ATOM 480 C CYS A 32 12.028 10.062 3.566 1.00 0.31 C ATOM 481 O CYS A 32 10.988 9.580 3.966 1.00 0.29 O ATOM 482 CB CYS A 32 12.881 8.599 1.693 1.00 0.28 C ATOM 483 SG CYS A 32 13.478 9.729 0.409 1.00 0.32 S ATOM 0 H CYS A 32 12.789 7.247 3.887 1.00 0.28 H new ATOM 0 HA CYS A 32 14.081 9.804 3.020 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.358 7.625 1.585 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.808 8.442 1.583 1.00 0.28 H new ATOM 488 N GLY A 33 12.219 11.353 3.543 1.00 0.34 N ATOM 489 CA GLY A 33 11.159 12.290 4.012 1.00 0.36 C ATOM 490 C GLY A 33 10.003 12.385 3.001 1.00 0.35 C ATOM 491 O GLY A 33 8.867 12.182 3.369 1.00 0.33 O ATOM 0 H GLY A 33 13.074 11.803 3.216 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.775 11.954 4.975 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.589 13.279 4.168 1.00 0.36 H new ATOM 495 N PRO A 34 10.307 12.720 1.764 1.00 0.37 N ATOM 496 CA PRO A 34 9.267 12.876 0.724 1.00 0.38 C ATOM 497 C PRO A 34 8.355 11.645 0.667 1.00 0.35 C ATOM 498 O PRO A 34 7.180 11.751 0.376 1.00 0.36 O ATOM 499 CB PRO A 34 10.058 13.063 -0.591 1.00 0.42 C ATOM 500 CG PRO A 34 11.527 13.369 -0.190 1.00 0.44 C ATOM 501 CD PRO A 34 11.687 12.965 1.294 1.00 0.40 C ATOM 0 HA PRO A 34 8.604 13.718 0.921 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.004 12.165 -1.206 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.640 13.879 -1.181 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.222 12.811 -0.818 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.751 14.427 -0.328 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.305 12.073 1.398 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.168 13.755 1.870 1.00 0.40 H new ATOM 509 N ALA A 35 8.877 10.485 0.939 1.00 0.33 N ATOM 510 CA ALA A 35 8.024 9.266 0.894 1.00 0.32 C ATOM 511 C ALA A 35 7.165 9.214 2.162 1.00 0.39 C ATOM 512 O ALA A 35 5.951 9.260 2.108 1.00 0.81 O ATOM 513 CB ALA A 35 8.920 8.025 0.812 1.00 0.36 C ATOM 0 H ALA A 35 9.853 10.327 1.190 1.00 0.33 H new ATOM 0 HA ALA A 35 7.374 9.293 0.019 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.299 7.130 0.779 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.531 8.076 -0.089 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.568 7.985 1.688 1.00 0.36 H new ATOM 519 N LYS A 36 7.792 9.122 3.300 1.00 0.30 N ATOM 520 CA LYS A 36 7.033 9.071 4.581 1.00 0.28 C ATOM 521 C LYS A 36 6.186 10.338 4.740 1.00 0.24 C ATOM 522 O LYS A 36 5.235 10.367 5.496 1.00 0.25 O ATOM 523 CB LYS A 36 8.031 8.975 5.740 1.00 0.35 C ATOM 524 CG LYS A 36 7.297 9.116 7.078 1.00 0.38 C ATOM 525 CD LYS A 36 8.228 8.709 8.222 1.00 0.49 C ATOM 526 CE LYS A 36 7.532 8.972 9.558 1.00 1.22 C ATOM 527 NZ LYS A 36 8.498 8.755 10.672 1.00 1.92 N ATOM 0 H LYS A 36 8.806 9.080 3.399 1.00 0.30 H new ATOM 0 HA LYS A 36 6.373 8.204 4.581 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.554 8.019 5.702 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.786 9.756 5.646 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.965 10.145 7.215 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.405 8.490 7.082 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.489 7.654 8.136 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.159 9.273 8.167 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.150 9.993 9.587 1.00 1.22 H new ATOM 0 HE3 LYS A 36 6.675 8.308 9.671 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.025 8.934 11.581 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.842 7.774 10.647 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.302 9.406 10.566 1.00 1.92 H new ATOM 541 N MET A 37 6.534 11.389 4.055 1.00 0.23 N ATOM 542 CA MET A 37 5.758 12.652 4.195 1.00 0.24 C ATOM 543 C MET A 37 4.298 12.424 3.801 1.00 0.20 C ATOM 544 O MET A 37 3.433 13.210 4.134 1.00 0.20 O ATOM 545 CB MET A 37 6.367 13.737 3.300 1.00 0.29 C ATOM 546 CG MET A 37 5.507 15.006 3.365 1.00 1.31 C ATOM 547 SD MET A 37 6.493 16.430 2.832 1.00 2.12 S ATOM 548 CE MET A 37 6.984 17.012 4.476 1.00 3.13 C ATOM 0 H MET A 37 7.320 11.429 3.406 1.00 0.23 H new ATOM 0 HA MET A 37 5.798 12.974 5.236 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.384 13.959 3.623 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.429 13.381 2.272 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.630 14.897 2.726 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.144 15.161 4.381 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.609 17.899 4.376 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.094 17.258 5.055 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.544 16.229 4.987 1.00 3.13 H new ATOM 558 N ILE A 38 4.013 11.366 3.086 1.00 0.18 N ATOM 559 CA ILE A 38 2.604 11.101 2.658 1.00 0.15 C ATOM 560 C ILE A 38 1.947 10.074 3.572 1.00 0.16 C ATOM 561 O ILE A 38 0.848 9.625 3.316 1.00 0.16 O ATOM 562 CB ILE A 38 2.605 10.577 1.224 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.199 11.665 0.319 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.163 10.239 0.780 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.429 11.120 -1.109 1.00 0.28 C ATOM 0 H ILE A 38 4.695 10.673 2.779 1.00 0.18 H new ATOM 0 HA ILE A 38 2.038 12.031 2.717 1.00 0.15 H new ATOM 0 HB ILE A 38 3.201 9.667 1.156 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.527 12.522 0.283 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.143 12.017 0.736 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.176 9.866 -0.244 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.749 9.476 1.439 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.547 11.136 0.832 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.850 11.906 -1.735 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.120 10.278 -1.070 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.479 10.791 -1.530 1.00 0.28 H new ATOM 577 N LYS A 39 2.590 9.690 4.643 1.00 0.19 N ATOM 578 CA LYS A 39 1.948 8.691 5.532 1.00 0.22 C ATOM 579 C LYS A 39 0.711 9.258 6.263 1.00 0.20 C ATOM 580 O LYS A 39 -0.199 8.508 6.531 1.00 0.21 O ATOM 581 CB LYS A 39 2.962 8.051 6.517 1.00 0.31 C ATOM 582 CG LYS A 39 3.272 8.943 7.738 1.00 0.34 C ATOM 583 CD LYS A 39 3.820 8.073 8.885 1.00 0.45 C ATOM 584 CE LYS A 39 2.705 7.186 9.490 1.00 1.16 C ATOM 585 NZ LYS A 39 3.046 5.751 9.268 1.00 1.62 N ATOM 0 H LYS A 39 3.511 10.019 4.933 1.00 0.19 H new ATOM 0 HA LYS A 39 1.585 7.892 4.885 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.568 7.096 6.864 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.890 7.839 5.986 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.000 9.707 7.467 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.370 9.462 8.061 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.629 7.444 8.514 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.243 8.712 9.661 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.602 7.387 10.556 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.746 7.420 9.028 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.248 5.154 9.565 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.240 5.592 8.259 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.889 5.504 9.825 1.00 1.62 H new ATOM 599 N PRO A 40 0.670 10.539 6.599 1.00 0.20 N ATOM 600 CA PRO A 40 -0.500 11.061 7.323 1.00 0.21 C ATOM 601 C PRO A 40 -1.758 10.883 6.468 1.00 0.17 C ATOM 602 O PRO A 40 -2.859 11.134 6.912 1.00 0.20 O ATOM 603 CB PRO A 40 -0.178 12.542 7.603 1.00 0.24 C ATOM 604 CG PRO A 40 1.282 12.790 7.132 1.00 0.25 C ATOM 605 CD PRO A 40 1.708 11.559 6.304 1.00 0.21 C ATOM 0 HA PRO A 40 -0.696 10.534 8.257 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.870 13.194 7.070 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.283 12.765 8.665 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.344 13.698 6.532 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.944 12.927 7.987 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.747 11.790 5.239 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.700 11.211 6.591 1.00 0.21 H new ATOM 613 N PHE A 41 -1.593 10.439 5.246 1.00 0.14 N ATOM 614 CA PHE A 41 -2.766 10.219 4.344 1.00 0.14 C ATOM 615 C PHE A 41 -2.945 8.718 4.119 1.00 0.11 C ATOM 616 O PHE A 41 -3.819 8.103 4.690 1.00 0.13 O ATOM 617 CB PHE A 41 -2.519 10.922 3.007 1.00 0.15 C ATOM 618 CG PHE A 41 -2.829 12.391 3.169 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.885 13.244 3.771 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.067 12.899 2.734 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.178 14.610 3.935 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.361 14.266 2.900 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.416 15.122 3.500 1.00 0.27 C ATOM 0 H PHE A 41 -0.688 10.218 4.832 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.668 10.628 4.799 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.484 10.786 2.694 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.147 10.487 2.229 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.937 12.850 4.107 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.790 12.242 2.274 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.454 15.266 4.394 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.311 14.658 2.568 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.641 16.171 3.626 1.00 0.27 H new ATOM 633 N PHE A 42 -2.121 8.128 3.296 1.00 0.10 N ATOM 634 CA PHE A 42 -2.241 6.664 3.022 1.00 0.11 C ATOM 635 C PHE A 42 -2.503 5.887 4.322 1.00 0.11 C ATOM 636 O PHE A 42 -3.480 5.176 4.439 1.00 0.12 O ATOM 637 CB PHE A 42 -0.936 6.177 2.384 1.00 0.13 C ATOM 638 CG PHE A 42 -0.960 4.675 2.254 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.665 4.078 1.196 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.274 3.871 3.187 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.686 2.679 1.067 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.296 2.470 3.058 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.002 1.874 1.997 1.00 0.10 C ATOM 0 H PHE A 42 -1.365 8.598 2.798 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.080 6.492 2.347 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.808 6.634 1.403 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.086 6.485 2.993 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.191 4.694 0.482 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.268 4.330 4.000 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.228 2.221 0.253 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.228 1.853 3.773 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.019 0.799 1.896 1.00 0.10 H new ATOM 653 N HIS A 43 -1.644 6.012 5.293 1.00 0.14 N ATOM 654 CA HIS A 43 -1.853 5.275 6.574 1.00 0.16 C ATOM 655 C HIS A 43 -3.101 5.813 7.293 1.00 0.16 C ATOM 656 O HIS A 43 -3.789 5.084 7.978 1.00 0.18 O ATOM 657 CB HIS A 43 -0.583 5.410 7.448 1.00 0.21 C ATOM 658 CG HIS A 43 -0.911 5.319 8.916 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.785 4.143 9.637 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.383 6.256 9.805 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.176 4.397 10.900 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.551 5.670 11.056 1.00 0.39 N ATOM 0 H HIS A 43 -0.806 6.592 5.257 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.022 4.217 6.376 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.127 4.626 7.183 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.097 6.364 7.241 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.591 7.289 9.568 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.185 3.661 11.691 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.888 6.116 11.909 1.00 0.39 H new ATOM 670 N SER A 44 -3.405 7.074 7.147 1.00 0.20 N ATOM 671 CA SER A 44 -4.612 7.623 7.830 1.00 0.25 C ATOM 672 C SER A 44 -5.880 6.961 7.276 1.00 0.20 C ATOM 673 O SER A 44 -6.792 6.643 8.012 1.00 0.21 O ATOM 674 CB SER A 44 -4.688 9.133 7.609 1.00 0.34 C ATOM 675 OG SER A 44 -6.020 9.576 7.839 1.00 0.97 O ATOM 0 H SER A 44 -2.875 7.744 6.589 1.00 0.20 H new ATOM 0 HA SER A 44 -4.538 7.414 8.897 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.001 9.646 8.282 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.381 9.379 6.592 1.00 0.34 H new ATOM 0 HG SER A 44 -6.071 10.545 7.699 1.00 0.97 H new ATOM 681 N LEU A 45 -5.954 6.753 5.986 1.00 0.18 N ATOM 682 CA LEU A 45 -7.176 6.117 5.407 1.00 0.18 C ATOM 683 C LEU A 45 -7.503 4.839 6.184 1.00 0.16 C ATOM 684 O LEU A 45 -8.581 4.293 6.069 1.00 0.23 O ATOM 685 CB LEU A 45 -6.941 5.759 3.932 1.00 0.19 C ATOM 686 CG LEU A 45 -6.544 7.004 3.121 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.440 6.623 1.641 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.597 8.112 3.293 1.00 0.50 C ATOM 0 H LEU A 45 -5.227 6.994 5.313 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.005 6.821 5.479 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.156 5.006 3.857 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.846 5.320 3.512 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.584 7.375 3.480 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.159 7.500 1.058 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.684 5.848 1.517 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.403 6.250 1.293 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.303 8.987 2.713 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.564 7.753 2.942 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.671 8.383 4.346 1.00 0.50 H new ATOM 700 N SER A 46 -6.585 4.356 6.973 1.00 0.20 N ATOM 701 CA SER A 46 -6.857 3.115 7.751 1.00 0.25 C ATOM 702 C SER A 46 -8.096 3.321 8.627 1.00 0.17 C ATOM 703 O SER A 46 -8.895 2.423 8.807 1.00 0.15 O ATOM 704 CB SER A 46 -5.655 2.790 8.637 1.00 0.36 C ATOM 705 OG SER A 46 -4.472 2.816 7.851 1.00 0.51 O ATOM 0 H SER A 46 -5.661 4.765 7.113 1.00 0.20 H new ATOM 0 HA SER A 46 -7.032 2.289 7.062 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.582 3.513 9.450 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.780 1.808 9.094 1.00 0.36 H new ATOM 0 HG SER A 46 -3.882 3.530 8.172 1.00 0.51 H new ATOM 711 N GLU A 47 -8.258 4.494 9.182 1.00 0.21 N ATOM 712 CA GLU A 47 -9.440 4.759 10.059 1.00 0.21 C ATOM 713 C GLU A 47 -10.575 5.374 9.238 1.00 0.18 C ATOM 714 O GLU A 47 -11.698 5.470 9.693 1.00 0.18 O ATOM 715 CB GLU A 47 -9.032 5.728 11.172 1.00 0.32 C ATOM 716 CG GLU A 47 -7.665 5.321 11.724 1.00 0.39 C ATOM 717 CD GLU A 47 -7.332 6.177 12.946 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.176 6.962 13.343 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.237 6.031 13.466 1.00 2.00 O ATOM 0 H GLU A 47 -7.622 5.283 9.066 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.785 3.820 10.493 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -8.992 6.747 10.786 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.776 5.718 11.969 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.671 4.266 11.997 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.900 5.448 10.958 1.00 0.39 H new ATOM 726 N LYS A 48 -10.297 5.795 8.035 1.00 0.18 N ATOM 727 CA LYS A 48 -11.366 6.405 7.192 1.00 0.17 C ATOM 728 C LYS A 48 -12.068 5.277 6.426 1.00 0.15 C ATOM 729 O LYS A 48 -13.276 5.146 6.455 1.00 0.18 O ATOM 730 CB LYS A 48 -10.719 7.395 6.209 1.00 0.21 C ATOM 731 CG LYS A 48 -11.744 8.436 5.734 1.00 0.26 C ATOM 732 CD LYS A 48 -12.950 7.743 5.090 1.00 1.09 C ATOM 733 CE LYS A 48 -13.730 8.750 4.239 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.932 9.111 3.033 1.00 2.16 N ATOM 0 H LYS A 48 -9.377 5.743 7.599 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.092 6.940 7.805 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -9.880 7.897 6.690 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.318 6.854 5.352 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.073 9.043 6.577 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -11.279 9.112 5.017 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.616 6.911 4.471 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -13.597 7.326 5.862 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -14.687 8.324 3.940 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.948 9.644 4.824 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.556 9.537 2.319 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.192 9.793 3.297 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.490 8.255 2.640 1.00 2.16 H new ATOM 748 N TYR A 49 -11.305 4.451 5.754 1.00 0.13 N ATOM 749 CA TYR A 49 -11.896 3.311 4.984 1.00 0.13 C ATOM 750 C TYR A 49 -11.599 1.995 5.706 1.00 0.11 C ATOM 751 O TYR A 49 -10.752 1.227 5.294 1.00 0.11 O ATOM 752 CB TYR A 49 -11.269 3.271 3.587 1.00 0.15 C ATOM 753 CG TYR A 49 -11.871 4.363 2.738 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.137 4.176 2.158 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.172 5.568 2.535 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.708 5.191 1.372 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.741 6.586 1.751 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.010 6.398 1.168 1.00 0.21 C ATOM 759 OH TYR A 49 -13.569 7.397 0.397 1.00 0.24 O ATOM 0 H TYR A 49 -10.288 4.518 5.705 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.975 3.446 4.904 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.189 3.403 3.657 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.443 2.299 3.126 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.672 3.251 2.317 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.199 5.710 2.982 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.680 5.046 0.925 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.206 7.511 1.595 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.957 8.162 0.359 1.00 0.24 H new ATOM 769 N SER A 50 -12.296 1.723 6.773 1.00 0.12 N ATOM 770 CA SER A 50 -12.060 0.449 7.507 1.00 0.13 C ATOM 771 C SER A 50 -12.496 -0.715 6.617 1.00 0.13 C ATOM 772 O SER A 50 -12.349 -1.871 6.964 1.00 0.14 O ATOM 773 CB SER A 50 -12.879 0.446 8.798 1.00 0.16 C ATOM 774 OG SER A 50 -14.256 0.591 8.480 1.00 0.17 O ATOM 0 H SER A 50 -13.017 2.326 7.168 1.00 0.12 H new ATOM 0 HA SER A 50 -11.003 0.350 7.756 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.716 -0.483 9.344 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.557 1.259 9.449 1.00 0.16 H new ATOM 0 HG SER A 50 -14.784 0.588 9.305 1.00 0.17 H new ATOM 780 N ASN A 51 -13.039 -0.409 5.470 1.00 0.13 N ATOM 781 CA ASN A 51 -13.501 -1.472 4.531 1.00 0.15 C ATOM 782 C ASN A 51 -12.406 -1.749 3.500 1.00 0.13 C ATOM 783 O ASN A 51 -12.559 -2.585 2.632 1.00 0.14 O ATOM 784 CB ASN A 51 -14.755 -0.976 3.810 1.00 0.17 C ATOM 785 CG ASN A 51 -15.201 -2.006 2.772 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.459 -1.665 1.634 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.307 -3.257 3.116 1.00 0.32 N ATOM 0 H ASN A 51 -13.184 0.545 5.139 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.721 -2.386 5.082 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.555 -0.803 4.530 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.552 -0.022 3.324 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.606 -3.951 2.431 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.091 -3.543 4.071 1.00 0.32 H new ATOM 794 N VAL A 52 -11.308 -1.041 3.589 1.00 0.11 N ATOM 795 CA VAL A 52 -10.185 -1.234 2.617 1.00 0.10 C ATOM 796 C VAL A 52 -8.935 -1.697 3.363 1.00 0.10 C ATOM 797 O VAL A 52 -8.703 -1.329 4.497 1.00 0.11 O ATOM 798 CB VAL A 52 -9.890 0.098 1.930 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.671 -0.049 1.012 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.113 0.530 1.111 1.00 0.12 C ATOM 0 H VAL A 52 -11.139 -0.330 4.300 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.466 -1.984 1.878 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.675 0.855 2.684 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.465 0.904 0.525 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.805 -0.349 1.602 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.875 -0.807 0.255 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.905 1.480 0.620 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.333 -0.227 0.358 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.972 0.644 1.772 1.00 0.12 H new ATOM 810 N ILE A 53 -8.129 -2.508 2.730 1.00 0.09 N ATOM 811 CA ILE A 53 -6.886 -3.015 3.386 1.00 0.09 C ATOM 812 C ILE A 53 -5.688 -2.188 2.907 1.00 0.09 C ATOM 813 O ILE A 53 -5.538 -1.926 1.730 1.00 0.14 O ATOM 814 CB ILE A 53 -6.675 -4.481 2.991 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.015 -5.243 3.051 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.632 -5.135 3.909 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.769 -4.970 4.365 1.00 0.17 C ATOM 0 H ILE A 53 -8.279 -2.844 1.779 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.980 -2.932 4.469 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.301 -4.523 1.968 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.638 -4.949 2.206 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.830 -6.313 2.954 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.492 -6.176 3.617 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.685 -4.603 3.821 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.978 -5.091 4.942 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.707 -5.525 4.368 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.157 -5.288 5.209 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.978 -3.904 4.450 1.00 0.17 H new ATOM 829 N PHE A 54 -4.834 -1.783 3.812 1.00 0.08 N ATOM 830 CA PHE A 54 -3.629 -0.976 3.435 1.00 0.08 C ATOM 831 C PHE A 54 -2.370 -1.711 3.887 1.00 0.08 C ATOM 832 O PHE A 54 -2.270 -2.152 5.012 1.00 0.11 O ATOM 833 CB PHE A 54 -3.697 0.384 4.131 1.00 0.08 C ATOM 834 CG PHE A 54 -4.935 1.114 3.670 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.994 1.640 2.365 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.032 1.265 4.540 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.148 2.319 1.933 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.186 1.944 4.106 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.244 2.471 2.802 1.00 0.09 C ATOM 0 H PHE A 54 -4.920 -1.979 4.809 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.603 -0.835 2.354 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.719 0.252 5.213 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.807 0.970 3.900 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.154 1.522 1.696 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.988 0.860 5.540 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.193 2.724 0.933 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.027 2.061 4.773 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.129 2.992 2.469 1.00 0.09 H new ATOM 849 N LEU A 55 -1.405 -1.848 3.016 1.00 0.08 N ATOM 850 CA LEU A 55 -0.135 -2.556 3.377 1.00 0.09 C ATOM 851 C LEU A 55 1.011 -1.541 3.381 1.00 0.09 C ATOM 852 O LEU A 55 0.851 -0.404 2.984 1.00 0.10 O ATOM 853 CB LEU A 55 0.159 -3.644 2.331 1.00 0.10 C ATOM 854 CG LEU A 55 -0.646 -4.922 2.615 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.140 -4.594 2.780 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.453 -5.892 1.442 1.00 0.12 C ATOM 0 H LEU A 55 -1.440 -1.497 2.059 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.234 -3.014 4.361 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.085 -3.271 1.336 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.224 -3.875 2.332 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.292 -5.376 3.541 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.694 -5.511 2.980 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.271 -3.902 3.612 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.515 -4.136 1.865 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.018 -6.805 1.628 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.808 -5.426 0.523 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.605 -6.135 1.341 1.00 0.12 H new ATOM 868 N GLU A 56 2.170 -1.952 3.817 1.00 0.09 N ATOM 869 CA GLU A 56 3.345 -1.031 3.844 1.00 0.09 C ATOM 870 C GLU A 56 4.590 -1.837 3.477 1.00 0.09 C ATOM 871 O GLU A 56 4.746 -2.965 3.898 1.00 0.10 O ATOM 872 CB GLU A 56 3.502 -0.439 5.248 1.00 0.09 C ATOM 873 CG GLU A 56 4.511 0.712 5.211 1.00 0.11 C ATOM 874 CD GLU A 56 4.523 1.425 6.565 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.796 0.997 7.445 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.259 2.390 6.697 1.00 1.31 O ATOM 0 H GLU A 56 2.356 -2.895 4.159 1.00 0.09 H new ATOM 0 HA GLU A 56 3.205 -0.215 3.135 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.539 -0.080 5.612 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.839 -1.209 5.943 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.506 0.330 4.980 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.248 1.415 4.420 1.00 0.11 H new ATOM 883 N VAL A 57 5.467 -1.283 2.677 1.00 0.08 N ATOM 884 CA VAL A 57 6.691 -2.039 2.259 1.00 0.08 C ATOM 885 C VAL A 57 7.932 -1.148 2.352 1.00 0.09 C ATOM 886 O VAL A 57 7.928 -0.002 1.939 1.00 0.14 O ATOM 887 CB VAL A 57 6.524 -2.506 0.808 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.806 -3.209 0.349 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.348 -3.481 0.708 1.00 0.09 C ATOM 0 H VAL A 57 5.390 -0.341 2.295 1.00 0.08 H new ATOM 0 HA VAL A 57 6.817 -2.895 2.922 1.00 0.08 H new ATOM 0 HB VAL A 57 6.330 -1.642 0.173 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.689 -3.542 -0.682 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.644 -2.515 0.414 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.998 -4.071 0.989 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.234 -3.809 -0.325 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.537 -4.345 1.345 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.434 -2.984 1.033 1.00 0.09 H new ATOM 899 N ASP A 58 9.005 -1.688 2.872 1.00 0.09 N ATOM 900 CA ASP A 58 10.281 -0.917 2.983 1.00 0.09 C ATOM 901 C ASP A 58 11.157 -1.282 1.779 1.00 0.10 C ATOM 902 O ASP A 58 11.772 -2.329 1.741 1.00 0.11 O ATOM 903 CB ASP A 58 10.992 -1.305 4.288 1.00 0.11 C ATOM 904 CG ASP A 58 12.034 -0.243 4.651 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.635 0.857 4.997 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.214 -0.548 4.585 1.00 1.06 O ATOM 0 H ASP A 58 9.052 -2.642 3.229 1.00 0.09 H new ATOM 0 HA ASP A 58 10.088 0.156 2.994 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.264 -1.403 5.093 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.474 -2.276 4.175 1.00 0.11 H new ATOM 911 N VAL A 59 11.192 -0.442 0.782 1.00 0.12 N ATOM 912 CA VAL A 59 11.998 -0.754 -0.438 1.00 0.15 C ATOM 913 C VAL A 59 13.476 -0.924 -0.086 1.00 0.18 C ATOM 914 O VAL A 59 14.277 -1.283 -0.927 1.00 0.27 O ATOM 915 CB VAL A 59 11.850 0.385 -1.447 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.399 0.460 -1.924 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.239 1.708 -0.785 1.00 0.22 C ATOM 0 H VAL A 59 10.697 0.450 0.757 1.00 0.12 H new ATOM 0 HA VAL A 59 11.632 -1.687 -0.866 1.00 0.15 H new ATOM 0 HB VAL A 59 12.503 0.200 -2.300 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.294 1.272 -2.643 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.122 -0.482 -2.397 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.745 0.643 -1.072 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.133 2.520 -1.505 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.587 1.893 0.069 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.274 1.655 -0.447 1.00 0.22 H new ATOM 927 N ASP A 60 13.854 -0.657 1.137 1.00 0.16 N ATOM 928 CA ASP A 60 15.293 -0.788 1.531 1.00 0.18 C ATOM 929 C ASP A 60 15.514 -2.056 2.362 1.00 0.17 C ATOM 930 O ASP A 60 16.488 -2.759 2.182 1.00 0.18 O ATOM 931 CB ASP A 60 15.691 0.431 2.360 1.00 0.21 C ATOM 932 CG ASP A 60 15.616 1.687 1.490 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.551 1.920 0.741 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.627 2.394 1.588 1.00 1.08 O ATOM 0 H ASP A 60 13.229 -0.353 1.883 1.00 0.16 H new ATOM 0 HA ASP A 60 15.902 -0.852 0.630 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.028 0.531 3.220 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.701 0.305 2.749 1.00 0.21 H new ATOM 939 N ASP A 61 14.630 -2.349 3.280 1.00 0.17 N ATOM 940 CA ASP A 61 14.802 -3.567 4.133 1.00 0.17 C ATOM 941 C ASP A 61 14.029 -4.741 3.517 1.00 0.16 C ATOM 942 O ASP A 61 14.216 -5.879 3.897 1.00 0.18 O ATOM 943 CB ASP A 61 14.286 -3.260 5.550 1.00 0.19 C ATOM 944 CG ASP A 61 14.074 -4.559 6.335 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.038 -5.285 6.512 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.951 -4.804 6.744 1.00 1.12 O ATOM 0 H ASP A 61 13.795 -1.798 3.477 1.00 0.17 H new ATOM 0 HA ASP A 61 15.855 -3.841 4.189 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.999 -2.624 6.074 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.349 -2.707 5.491 1.00 0.19 H new ATOM 951 N ALA A 62 13.178 -4.471 2.556 1.00 0.16 N ATOM 952 CA ALA A 62 12.397 -5.566 1.887 1.00 0.16 C ATOM 953 C ALA A 62 12.685 -5.521 0.385 1.00 0.16 C ATOM 954 O ALA A 62 11.788 -5.537 -0.434 1.00 0.15 O ATOM 955 CB ALA A 62 10.900 -5.352 2.126 1.00 0.17 C ATOM 0 H ALA A 62 12.988 -3.533 2.202 1.00 0.16 H new ATOM 0 HA ALA A 62 12.687 -6.533 2.297 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.336 -6.148 1.639 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.697 -5.366 3.197 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.599 -4.389 1.712 1.00 0.17 H new ATOM 961 N GLN A 63 13.936 -5.453 0.025 1.00 0.20 N ATOM 962 CA GLN A 63 14.305 -5.391 -1.418 1.00 0.22 C ATOM 963 C GLN A 63 13.720 -6.592 -2.169 1.00 0.20 C ATOM 964 O GLN A 63 13.643 -6.595 -3.381 1.00 0.20 O ATOM 965 CB GLN A 63 15.832 -5.395 -1.546 1.00 0.29 C ATOM 966 CG GLN A 63 16.441 -4.513 -0.449 1.00 0.90 C ATOM 967 CD GLN A 63 17.893 -4.181 -0.803 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.633 -5.036 -1.247 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.333 -2.966 -0.623 1.00 2.22 N ATOM 0 H GLN A 63 14.724 -5.438 0.672 1.00 0.20 H new ATOM 0 HA GLN A 63 13.900 -4.477 -1.853 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.212 -6.413 -1.461 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.126 -5.026 -2.529 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.863 -3.595 -0.344 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.399 -5.028 0.511 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.711 -2.248 -0.250 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.299 -2.734 -0.855 1.00 2.22 H new ATOM 978 N ASP A 64 13.310 -7.612 -1.467 1.00 0.19 N ATOM 979 CA ASP A 64 12.740 -8.801 -2.159 1.00 0.20 C ATOM 980 C ASP A 64 11.373 -8.442 -2.746 1.00 0.17 C ATOM 981 O ASP A 64 11.037 -8.842 -3.842 1.00 0.19 O ATOM 982 CB ASP A 64 12.594 -9.954 -1.159 1.00 0.22 C ATOM 983 CG ASP A 64 12.075 -9.419 0.178 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.722 -8.254 0.232 1.00 1.11 O ATOM 985 OD2 ASP A 64 12.041 -10.188 1.126 1.00 1.09 O ATOM 0 H ASP A 64 13.345 -7.674 -0.449 1.00 0.19 H new ATOM 0 HA ASP A 64 13.406 -9.110 -2.965 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.907 -10.704 -1.552 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.556 -10.447 -1.015 1.00 0.22 H new ATOM 990 N VAL A 65 10.587 -7.682 -2.035 1.00 0.15 N ATOM 991 CA VAL A 65 9.253 -7.298 -2.571 1.00 0.16 C ATOM 992 C VAL A 65 9.449 -6.252 -3.669 1.00 0.16 C ATOM 993 O VAL A 65 8.875 -6.340 -4.736 1.00 0.19 O ATOM 994 CB VAL A 65 8.393 -6.711 -1.451 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.944 -6.600 -1.928 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.455 -7.628 -0.227 1.00 0.18 C ATOM 0 H VAL A 65 10.810 -7.312 -1.111 1.00 0.15 H new ATOM 0 HA VAL A 65 8.752 -8.176 -2.977 1.00 0.16 H new ATOM 0 HB VAL A 65 8.767 -5.722 -1.185 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.330 -6.182 -1.131 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.897 -5.950 -2.801 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.571 -7.590 -2.192 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.842 -7.210 0.572 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.080 -8.616 -0.493 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.487 -7.711 0.113 1.00 0.18 H new ATOM 1006 N ALA A 66 10.269 -5.268 -3.418 1.00 0.16 N ATOM 1007 CA ALA A 66 10.518 -4.223 -4.447 1.00 0.18 C ATOM 1008 C ALA A 66 11.168 -4.873 -5.670 1.00 0.19 C ATOM 1009 O ALA A 66 10.916 -4.492 -6.796 1.00 0.20 O ATOM 1010 CB ALA A 66 11.455 -3.157 -3.877 1.00 0.22 C ATOM 0 H ALA A 66 10.777 -5.144 -2.542 1.00 0.16 H new ATOM 0 HA ALA A 66 9.575 -3.757 -4.734 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.637 -2.392 -4.631 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.996 -2.700 -3.000 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.401 -3.618 -3.593 1.00 0.22 H new ATOM 1016 N SER A 67 12.000 -5.855 -5.454 1.00 0.21 N ATOM 1017 CA SER A 67 12.665 -6.535 -6.599 1.00 0.26 C ATOM 1018 C SER A 67 11.605 -7.234 -7.452 1.00 0.26 C ATOM 1019 O SER A 67 11.597 -7.128 -8.663 1.00 0.29 O ATOM 1020 CB SER A 67 13.659 -7.570 -6.073 1.00 0.31 C ATOM 1021 OG SER A 67 14.758 -6.899 -5.468 1.00 1.29 O ATOM 0 H SER A 67 12.248 -6.215 -4.532 1.00 0.21 H new ATOM 0 HA SER A 67 13.197 -5.799 -7.203 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.173 -8.223 -5.348 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.009 -8.203 -6.888 1.00 0.31 H new ATOM 0 HG SER A 67 14.448 -6.410 -4.677 1.00 1.29 H new ATOM 1027 N GLU A 68 10.711 -7.949 -6.827 1.00 0.26 N ATOM 1028 CA GLU A 68 9.649 -8.657 -7.593 1.00 0.30 C ATOM 1029 C GLU A 68 8.751 -7.636 -8.298 1.00 0.31 C ATOM 1030 O GLU A 68 8.313 -7.848 -9.412 1.00 0.36 O ATOM 1031 CB GLU A 68 8.807 -9.497 -6.630 1.00 0.31 C ATOM 1032 CG GLU A 68 7.781 -10.311 -7.422 1.00 0.39 C ATOM 1033 CD GLU A 68 6.991 -11.203 -6.464 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.971 -10.900 -5.283 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.417 -12.176 -6.928 1.00 2.20 O ATOM 0 H GLU A 68 10.671 -8.073 -5.815 1.00 0.26 H new ATOM 0 HA GLU A 68 10.111 -9.304 -8.339 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.450 -10.164 -6.055 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.299 -8.850 -5.915 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.105 -9.643 -7.956 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.285 -10.921 -8.172 1.00 0.39 H new ATOM 1042 N ALA A 69 8.468 -6.533 -7.657 1.00 0.29 N ATOM 1043 CA ALA A 69 7.589 -5.501 -8.289 1.00 0.31 C ATOM 1044 C ALA A 69 8.436 -4.547 -9.135 1.00 0.29 C ATOM 1045 O ALA A 69 7.921 -3.664 -9.792 1.00 0.33 O ATOM 1046 CB ALA A 69 6.870 -4.709 -7.196 1.00 0.31 C ATOM 0 H ALA A 69 8.807 -6.300 -6.723 1.00 0.29 H new ATOM 0 HA ALA A 69 6.856 -5.994 -8.928 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.229 -3.956 -7.654 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.263 -5.386 -6.596 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.606 -4.219 -6.558 1.00 0.31 H new ATOM 1052 N GLU A 70 9.730 -4.717 -9.127 1.00 0.27 N ATOM 1053 CA GLU A 70 10.608 -3.824 -9.936 1.00 0.29 C ATOM 1054 C GLU A 70 10.237 -2.359 -9.687 1.00 0.25 C ATOM 1055 O GLU A 70 9.889 -1.634 -10.598 1.00 0.26 O ATOM 1056 CB GLU A 70 10.431 -4.147 -11.420 1.00 0.38 C ATOM 1057 CG GLU A 70 10.878 -5.586 -11.686 1.00 1.18 C ATOM 1058 CD GLU A 70 10.631 -5.935 -13.154 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.895 -5.208 -13.801 1.00 2.06 O ATOM 1060 OE2 GLU A 70 11.180 -6.926 -13.607 1.00 2.34 O ATOM 0 H GLU A 70 10.218 -5.437 -8.594 1.00 0.27 H new ATOM 0 HA GLU A 70 11.646 -3.984 -9.645 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.388 -4.020 -11.709 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.016 -3.455 -12.026 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.936 -5.699 -11.447 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.330 -6.273 -11.041 1.00 1.18 H new ATOM 1067 N VAL A 71 10.318 -1.913 -8.463 1.00 0.22 N ATOM 1068 CA VAL A 71 9.980 -0.492 -8.160 1.00 0.19 C ATOM 1069 C VAL A 71 11.163 0.398 -8.543 1.00 0.23 C ATOM 1070 O VAL A 71 12.303 0.072 -8.277 1.00 0.28 O ATOM 1071 CB VAL A 71 9.682 -0.341 -6.668 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.107 1.051 -6.414 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.656 -1.394 -6.238 1.00 0.19 C ATOM 0 H VAL A 71 10.604 -2.471 -7.659 1.00 0.22 H new ATOM 0 HA VAL A 71 9.100 -0.195 -8.731 1.00 0.19 H new ATOM 0 HB VAL A 71 10.601 -0.476 -6.097 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.891 1.167 -5.352 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.831 1.805 -6.722 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.188 1.175 -6.986 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.446 -1.284 -5.174 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.736 -1.258 -6.806 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.056 -2.390 -6.428 1.00 0.19 H new ATOM 1083 N LYS A 72 10.901 1.519 -9.176 1.00 0.24 N ATOM 1084 CA LYS A 72 12.008 2.441 -9.597 1.00 0.29 C ATOM 1085 C LYS A 72 11.724 3.862 -9.101 1.00 0.26 C ATOM 1086 O LYS A 72 12.533 4.754 -9.263 1.00 0.27 O ATOM 1087 CB LYS A 72 12.103 2.449 -11.124 1.00 0.35 C ATOM 1088 CG LYS A 72 12.032 1.014 -11.649 1.00 0.43 C ATOM 1089 CD LYS A 72 12.236 1.016 -13.166 1.00 1.16 C ATOM 1090 CE LYS A 72 11.860 -0.354 -13.734 1.00 1.66 C ATOM 1091 NZ LYS A 72 10.397 -0.577 -13.564 1.00 2.40 N ATOM 0 H LYS A 72 9.963 1.837 -9.420 1.00 0.24 H new ATOM 0 HA LYS A 72 12.947 2.093 -9.167 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.292 3.042 -11.546 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.036 2.916 -11.438 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.795 0.402 -11.169 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.067 0.572 -11.402 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.623 1.792 -13.625 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.274 1.247 -13.404 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.127 -0.408 -14.789 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.420 -1.137 -13.223 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 10.063 -1.253 -14.280 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 10.212 -0.959 -12.615 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 9.893 0.325 -13.678 1.00 2.40 H new ATOM 1105 N ALA A 73 10.586 4.086 -8.497 1.00 0.22 N ATOM 1106 CA ALA A 73 10.267 5.461 -7.993 1.00 0.20 C ATOM 1107 C ALA A 73 9.303 5.355 -6.805 1.00 0.18 C ATOM 1108 O ALA A 73 8.267 4.734 -6.901 1.00 0.16 O ATOM 1109 CB ALA A 73 9.626 6.286 -9.130 1.00 0.21 C ATOM 0 H ALA A 73 9.866 3.383 -8.330 1.00 0.22 H new ATOM 0 HA ALA A 73 11.180 5.958 -7.666 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.393 7.287 -8.766 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.322 6.357 -9.966 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.710 5.798 -9.462 1.00 0.21 H new ATOM 1115 N THR A 74 9.639 5.961 -5.688 1.00 0.18 N ATOM 1116 CA THR A 74 8.745 5.898 -4.484 1.00 0.17 C ATOM 1117 C THR A 74 8.142 7.298 -4.240 1.00 0.17 C ATOM 1118 O THR A 74 8.776 8.283 -4.562 1.00 0.19 O ATOM 1119 CB THR A 74 9.585 5.500 -3.252 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.783 6.259 -3.245 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.952 4.000 -3.278 1.00 0.19 C ATOM 0 H THR A 74 10.496 6.498 -5.558 1.00 0.18 H new ATOM 0 HA THR A 74 7.953 5.167 -4.647 1.00 0.17 H new ATOM 0 HB THR A 74 8.992 5.696 -2.359 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.322 6.013 -2.464 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.543 3.755 -2.396 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.040 3.402 -3.281 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.532 3.783 -4.175 1.00 0.19 H new ATOM 1129 N PRO A 75 6.959 7.371 -3.652 1.00 0.17 N ATOM 1130 CA PRO A 75 6.143 6.202 -3.238 1.00 0.16 C ATOM 1131 C PRO A 75 5.463 5.570 -4.467 1.00 0.14 C ATOM 1132 O PRO A 75 5.026 6.266 -5.363 1.00 0.14 O ATOM 1133 CB PRO A 75 5.083 6.795 -2.281 1.00 0.17 C ATOM 1134 CG PRO A 75 5.156 8.344 -2.411 1.00 0.20 C ATOM 1135 CD PRO A 75 6.355 8.678 -3.325 1.00 0.19 C ATOM 0 HA PRO A 75 6.737 5.419 -2.767 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.087 6.434 -2.540 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.277 6.486 -1.254 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.231 8.737 -2.833 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.281 8.805 -1.431 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.032 9.200 -4.226 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.069 9.328 -2.819 1.00 0.19 H new ATOM 1143 N THR A 76 5.356 4.260 -4.503 1.00 0.13 N ATOM 1144 CA THR A 76 4.685 3.578 -5.661 1.00 0.12 C ATOM 1145 C THR A 76 3.415 2.915 -5.144 1.00 0.12 C ATOM 1146 O THR A 76 3.472 1.965 -4.390 1.00 0.18 O ATOM 1147 CB THR A 76 5.609 2.494 -6.250 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.946 2.958 -6.221 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.214 2.196 -7.703 1.00 0.13 C ATOM 0 H THR A 76 5.705 3.632 -3.779 1.00 0.13 H new ATOM 0 HA THR A 76 4.458 4.308 -6.438 1.00 0.12 H new ATOM 0 HB THR A 76 5.514 1.584 -5.658 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.986 3.865 -6.590 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.873 1.429 -8.109 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.183 1.843 -7.735 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.305 3.105 -8.298 1.00 0.13 H new ATOM 1157 N PHE A 77 2.269 3.396 -5.531 1.00 0.09 N ATOM 1158 CA PHE A 77 1.015 2.763 -5.036 1.00 0.09 C ATOM 1159 C PHE A 77 0.640 1.613 -5.951 1.00 0.09 C ATOM 1160 O PHE A 77 0.409 1.786 -7.131 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.120 3.781 -5.002 1.00 0.10 C ATOM 1162 CG PHE A 77 0.166 4.783 -3.921 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.113 4.457 -2.581 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.713 6.039 -4.244 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.155 5.389 -1.563 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.982 6.971 -3.227 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.703 6.649 -1.887 1.00 0.12 C ATOM 0 H PHE A 77 2.145 4.189 -6.160 1.00 0.09 H new ATOM 0 HA PHE A 77 1.181 2.393 -4.024 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.209 4.281 -5.967 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.070 3.282 -4.813 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.532 3.493 -2.335 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.926 6.287 -5.273 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.058 5.141 -0.534 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.403 7.934 -3.475 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.908 7.366 -1.106 1.00 0.12 H new ATOM 1177 N GLN A 78 0.575 0.437 -5.398 1.00 0.07 N ATOM 1178 CA GLN A 78 0.213 -0.767 -6.189 1.00 0.07 C ATOM 1179 C GLN A 78 -1.088 -1.316 -5.621 1.00 0.06 C ATOM 1180 O GLN A 78 -1.273 -1.373 -4.421 1.00 0.07 O ATOM 1181 CB GLN A 78 1.335 -1.796 -6.053 1.00 0.08 C ATOM 1182 CG GLN A 78 2.681 -1.119 -6.325 1.00 0.12 C ATOM 1183 CD GLN A 78 3.751 -2.183 -6.576 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.452 -3.266 -7.035 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.997 -1.917 -6.291 1.00 1.03 N ATOM 0 H GLN A 78 0.761 0.257 -4.411 1.00 0.07 H new ATOM 0 HA GLN A 78 0.082 -0.530 -7.245 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.328 -2.228 -5.052 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.179 -2.615 -6.755 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.600 -0.460 -7.189 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.965 -0.497 -5.476 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.249 -1.007 -5.905 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.719 -2.619 -6.454 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.005 -1.678 -6.473 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.328 -2.180 -6.000 1.00 0.07 C ATOM 1196 C PHE A 79 -3.437 -3.678 -6.264 1.00 0.07 C ATOM 1197 O PHE A 79 -3.231 -4.145 -7.367 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.429 -1.436 -6.759 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.426 0.019 -6.338 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.351 0.849 -6.699 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.481 0.540 -5.573 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.329 2.197 -6.301 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.462 1.887 -5.167 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.387 2.715 -5.532 1.00 0.11 C ATOM 0 H PHE A 79 -1.895 -1.648 -7.487 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.432 -2.007 -4.929 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.265 -1.517 -7.834 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.400 -1.886 -6.550 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.537 0.449 -7.286 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.310 -0.095 -5.295 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.503 2.833 -6.584 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.273 2.284 -4.575 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.373 3.749 -5.222 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.766 -4.430 -5.246 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.905 -5.908 -5.391 1.00 0.08 C ATOM 1216 C PHE A 80 -5.289 -6.315 -4.897 1.00 0.11 C ATOM 1217 O PHE A 80 -5.908 -5.630 -4.106 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.839 -6.612 -4.544 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.492 -6.499 -5.219 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.102 -7.450 -6.182 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.625 -5.447 -4.880 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.156 -7.345 -6.804 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.633 -5.340 -5.501 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.024 -6.289 -6.463 1.00 0.14 C ATOM 0 H PHE A 80 -3.947 -4.076 -4.307 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.777 -6.192 -6.436 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.797 -6.165 -3.551 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.102 -7.661 -4.410 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.768 -8.259 -6.443 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.925 -4.719 -4.141 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.456 -8.074 -7.543 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.298 -4.530 -5.239 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.990 -6.208 -6.940 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.779 -7.423 -5.362 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.123 -7.890 -4.935 1.00 0.14 C ATOM 1236 C LYS A 81 -7.176 -9.402 -5.104 1.00 0.14 C ATOM 1237 O LYS A 81 -6.950 -9.915 -6.180 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.190 -7.226 -5.815 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.581 -7.400 -5.186 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.600 -6.510 -5.918 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.845 -6.322 -5.046 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.969 -5.827 -5.889 1.00 1.48 N ATOM 0 H LYS A 81 -5.302 -8.033 -6.027 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.310 -7.626 -3.894 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.966 -6.166 -5.933 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.176 -7.667 -6.812 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.888 -8.444 -5.245 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.548 -7.136 -4.129 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.154 -5.542 -6.145 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.876 -6.964 -6.869 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.118 -7.266 -4.574 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.637 -5.613 -4.244 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.815 -5.699 -5.299 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.706 -4.917 -6.319 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.172 -6.519 -6.639 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.469 -10.120 -4.055 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.534 -11.603 -4.169 1.00 0.20 C ATOM 1258 C LYS A 82 -6.221 -12.143 -4.752 1.00 0.20 C ATOM 1259 O LYS A 82 -6.201 -13.161 -5.415 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.710 -11.978 -5.088 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.031 -11.917 -4.302 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.232 -11.741 -5.252 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.095 -12.641 -6.485 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.439 -12.860 -7.090 1.00 1.67 N ATOM 0 H LYS A 82 -7.666 -9.745 -3.127 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.682 -12.042 -3.182 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.751 -11.296 -5.937 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.563 -12.980 -5.491 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.154 -12.830 -3.720 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.999 -11.089 -3.594 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -12.155 -11.980 -4.724 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.303 -10.699 -5.564 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.427 -12.180 -7.213 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.650 -13.596 -6.204 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.348 -13.471 -7.927 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.063 -13.317 -6.394 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.846 -11.945 -7.372 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.124 -11.484 -4.498 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.816 -11.978 -5.022 1.00 0.21 C ATOM 1280 C GLY A 83 -3.630 -11.556 -6.483 1.00 0.19 C ATOM 1281 O GLY A 83 -2.659 -11.924 -7.116 1.00 0.22 O ATOM 0 H GLY A 83 -5.075 -10.625 -3.950 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.001 -11.581 -4.416 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.772 -13.064 -4.943 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.547 -10.793 -7.025 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.425 -10.349 -8.456 1.00 0.17 C ATOM 1287 C GLN A 84 -4.188 -8.836 -8.518 1.00 0.16 C ATOM 1288 O GLN A 84 -4.691 -8.083 -7.710 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.722 -10.675 -9.196 1.00 0.19 C ATOM 1290 CG GLN A 84 -6.034 -12.165 -9.051 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.408 -12.462 -9.654 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.595 -13.476 -10.297 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.384 -11.616 -9.473 1.00 2.08 N ATOM 0 H GLN A 84 -5.378 -10.456 -6.540 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.585 -10.867 -8.919 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.542 -10.080 -8.793 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.627 -10.414 -10.250 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.269 -12.758 -9.553 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.018 -12.450 -7.999 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.228 -10.765 -8.933 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.304 -11.806 -9.871 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.427 -8.388 -9.486 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.157 -6.924 -9.619 1.00 0.17 C ATOM 1304 C LYS A 85 -4.279 -6.276 -10.434 1.00 0.16 C ATOM 1305 O LYS A 85 -4.803 -6.871 -11.356 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.818 -6.714 -10.333 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.591 -5.215 -10.579 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.102 -4.945 -10.814 1.00 0.30 C ATOM 1309 CE LYS A 85 0.373 -5.725 -12.042 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.727 -5.244 -12.442 1.00 1.70 N ATOM 0 H LYS A 85 -2.981 -8.975 -10.191 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.114 -6.468 -8.630 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -1.006 -7.120 -9.730 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.812 -7.253 -11.281 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.170 -4.888 -11.443 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.943 -4.640 -9.723 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.066 -3.878 -10.961 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.474 -5.241 -9.937 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.405 -6.791 -11.819 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.330 -5.593 -12.865 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.051 -5.773 -13.277 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.682 -4.231 -12.671 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.394 -5.392 -11.658 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.661 -5.067 -10.093 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.765 -4.375 -10.835 1.00 0.16 C ATOM 1326 C VAL A 86 -5.305 -2.991 -11.312 1.00 0.18 C ATOM 1327 O VAL A 86 -5.888 -2.417 -12.209 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.976 -4.218 -9.907 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.651 -5.578 -9.715 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.517 -3.684 -8.546 1.00 0.17 C ATOM 0 H VAL A 86 -4.254 -4.527 -9.329 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.037 -4.973 -11.705 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.682 -3.518 -10.352 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.512 -5.467 -9.056 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.981 -5.960 -10.681 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.942 -6.277 -9.271 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.380 -3.573 -7.889 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.809 -4.383 -8.101 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.036 -2.715 -8.679 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.269 -2.443 -10.730 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.805 -1.095 -11.180 1.00 0.18 C ATOM 1342 C GLY A 87 -2.609 -0.633 -10.345 1.00 0.10 C ATOM 1343 O GLY A 87 -2.178 -1.306 -9.431 1.00 0.08 O ATOM 0 H GLY A 87 -3.730 -2.863 -9.973 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.528 -1.132 -12.233 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.619 -0.375 -11.090 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.071 0.521 -10.656 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.903 1.036 -9.884 1.00 0.10 C ATOM 1349 C GLU A 88 -0.555 2.453 -10.340 1.00 0.10 C ATOM 1350 O GLU A 88 -0.813 2.837 -11.464 1.00 0.11 O ATOM 1351 CB GLU A 88 0.303 0.121 -10.112 1.00 0.17 C ATOM 1352 CG GLU A 88 0.452 -0.168 -11.607 1.00 0.25 C ATOM 1353 CD GLU A 88 1.755 -0.931 -11.849 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.412 -1.265 -10.877 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.072 -1.171 -13.003 1.00 1.94 O ATOM 0 H GLU A 88 -2.392 1.127 -11.411 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.158 1.054 -8.824 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.208 0.594 -9.731 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.174 -0.811 -9.562 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.396 -0.753 -11.962 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.454 0.765 -12.171 1.00 0.25 H new ATOM 1362 N PHE A 89 0.051 3.228 -9.479 1.00 0.09 N ATOM 1363 CA PHE A 89 0.439 4.613 -9.868 1.00 0.09 C ATOM 1364 C PHE A 89 1.373 5.215 -8.815 1.00 0.09 C ATOM 1365 O PHE A 89 1.110 5.168 -7.634 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.810 5.493 -10.068 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.396 5.955 -8.746 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.747 6.953 -7.985 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.610 5.404 -8.286 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.308 7.389 -6.772 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.170 5.845 -7.073 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.519 6.837 -6.316 1.00 0.11 C ATOM 0 H PHE A 89 0.293 2.961 -8.525 1.00 0.09 H new ATOM 0 HA PHE A 89 0.973 4.573 -10.817 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.549 6.362 -10.672 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.563 4.933 -10.623 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.181 7.381 -8.335 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.110 4.642 -8.866 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.809 8.149 -6.189 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.100 5.422 -6.723 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.949 7.175 -5.385 1.00 0.11 H new ATOM 1382 N SER A 90 2.472 5.783 -9.244 1.00 0.13 N ATOM 1383 CA SER A 90 3.440 6.405 -8.288 1.00 0.14 C ATOM 1384 C SER A 90 3.261 7.922 -8.317 1.00 0.14 C ATOM 1385 O SER A 90 2.255 8.428 -8.774 1.00 0.17 O ATOM 1386 CB SER A 90 4.866 6.057 -8.717 1.00 0.15 C ATOM 1387 OG SER A 90 5.269 6.934 -9.760 1.00 0.16 O ATOM 0 H SER A 90 2.743 5.843 -10.226 1.00 0.13 H new ATOM 0 HA SER A 90 3.259 6.030 -7.281 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.545 6.145 -7.869 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.914 5.023 -9.057 1.00 0.15 H new ATOM 0 HG SER A 90 6.188 7.235 -9.598 1.00 0.16 H new ATOM 1393 N GLY A 91 4.227 8.649 -7.833 1.00 0.12 N ATOM 1394 CA GLY A 91 4.114 10.137 -7.831 1.00 0.13 C ATOM 1395 C GLY A 91 3.284 10.573 -6.625 1.00 0.13 C ATOM 1396 O GLY A 91 2.212 10.056 -6.378 1.00 0.13 O ATOM 0 H GLY A 91 5.092 8.279 -7.438 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.105 10.589 -7.789 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.646 10.480 -8.754 1.00 0.13 H new ATOM 1400 N ALA A 92 3.773 11.508 -5.860 1.00 0.15 N ATOM 1401 CA ALA A 92 3.007 11.953 -4.662 1.00 0.17 C ATOM 1402 C ALA A 92 1.609 12.425 -5.073 1.00 0.15 C ATOM 1403 O ALA A 92 1.414 13.563 -5.456 1.00 0.16 O ATOM 1404 CB ALA A 92 3.760 13.104 -3.968 1.00 0.20 C ATOM 0 H ALA A 92 4.664 11.981 -6.010 1.00 0.15 H new ATOM 0 HA ALA A 92 2.907 11.114 -3.973 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.199 13.429 -3.092 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.747 12.759 -3.660 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.867 13.939 -4.661 1.00 0.20 H new ATOM 1410 N ASN A 93 0.629 11.566 -4.967 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.769 11.960 -5.315 1.00 0.13 C ATOM 1412 C ASN A 93 -1.709 11.324 -4.282 1.00 0.12 C ATOM 1413 O ASN A 93 -2.481 10.434 -4.577 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.113 11.470 -6.729 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.269 12.301 -7.288 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.340 12.545 -8.476 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.187 12.749 -6.475 1.00 1.15 N ATOM 0 H ASN A 93 0.738 10.602 -4.652 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.877 13.045 -5.299 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.241 11.557 -7.378 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.388 10.416 -6.703 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.963 13.303 -6.837 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.128 12.545 -5.477 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.615 11.777 -3.063 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.455 11.223 -1.960 1.00 0.20 C ATOM 1426 C LYS A 94 -3.943 11.369 -2.289 1.00 0.18 C ATOM 1427 O LYS A 94 -4.743 10.509 -1.973 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.144 11.989 -0.665 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.960 13.482 -0.982 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.738 14.272 0.310 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.419 13.845 0.971 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.065 14.936 1.864 1.00 1.19 N ATOM 0 H LYS A 94 -0.980 12.522 -2.778 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.228 10.164 -1.838 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -2.954 11.856 0.052 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.241 11.591 -0.203 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.110 13.617 -1.651 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.839 13.862 -1.503 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -1.716 15.340 0.093 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.568 14.103 0.996 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.567 12.930 1.544 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.328 13.626 0.208 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.089 14.833 2.014 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.129 15.858 1.423 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.427 14.880 2.779 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.324 12.448 -2.904 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.759 12.644 -3.231 1.00 0.20 C ATOM 1448 C GLU A 95 -6.206 11.582 -4.239 1.00 0.17 C ATOM 1449 O GLU A 95 -7.364 11.223 -4.305 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.934 14.040 -3.834 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.861 15.097 -2.727 1.00 0.33 C ATOM 1452 CD GLU A 95 -7.179 15.124 -1.950 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -8.219 15.060 -2.586 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.127 15.208 -0.735 1.00 1.86 O ATOM 0 H GLU A 95 -3.704 13.204 -3.195 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.365 12.551 -2.330 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.159 14.225 -4.577 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.892 14.106 -4.350 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -5.035 14.874 -2.052 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.663 16.078 -3.160 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.295 11.078 -5.025 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.664 10.041 -6.027 1.00 0.14 C ATOM 1463 C LYS A 96 -6.004 8.730 -5.316 1.00 0.12 C ATOM 1464 O LYS A 96 -6.851 7.984 -5.760 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.501 9.825 -6.999 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.892 8.793 -8.061 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.770 8.659 -9.107 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.342 8.099 -10.414 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.298 6.999 -10.106 1.00 2.05 N ATOM 0 H LYS A 96 -4.309 11.341 -5.016 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.537 10.376 -6.587 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.235 10.768 -7.477 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.620 9.484 -6.455 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.078 7.828 -7.590 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.820 9.094 -8.548 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.311 9.631 -9.287 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.987 8.001 -8.731 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.847 8.889 -10.971 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.536 7.728 -11.047 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.087 6.177 -10.707 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.206 6.729 -9.106 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.269 7.322 -10.290 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.359 8.433 -4.216 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.682 7.158 -3.509 1.00 0.11 C ATOM 1485 C LEU A 97 -7.187 7.105 -3.261 1.00 0.11 C ATOM 1486 O LEU A 97 -7.796 6.054 -3.286 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.950 7.076 -2.157 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.444 7.337 -2.327 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.833 7.712 -0.970 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.738 6.080 -2.858 1.00 0.13 C ATOM 0 H LEU A 97 -4.635 9.007 -3.783 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.360 6.321 -4.129 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.373 7.805 -1.466 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.104 6.091 -1.715 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.311 8.152 -3.038 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.766 7.897 -1.090 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.317 8.612 -0.589 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.982 6.894 -0.265 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.673 6.282 -2.973 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.878 5.259 -2.154 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.161 5.806 -3.824 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.794 8.233 -3.023 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.263 8.246 -2.777 1.00 0.14 C ATOM 1504 C GLU A 98 -9.996 7.857 -4.063 1.00 0.13 C ATOM 1505 O GLU A 98 -10.790 6.937 -4.087 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.696 9.650 -2.342 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.163 9.632 -1.889 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.084 9.584 -3.111 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.862 10.363 -4.024 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.992 8.771 -3.114 1.00 2.15 O ATOM 0 H GLU A 98 -7.338 9.145 -2.988 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.508 7.533 -1.990 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.060 10.000 -1.529 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.571 10.350 -3.168 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.345 8.767 -1.251 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.380 10.519 -1.294 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.741 8.563 -5.131 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.425 8.257 -6.421 1.00 0.14 C ATOM 1519 C ALA A 99 -10.116 6.825 -6.870 1.00 0.12 C ATOM 1520 O ALA A 99 -10.989 6.110 -7.314 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.944 9.238 -7.491 1.00 0.15 C ATOM 0 H ALA A 99 -9.085 9.343 -5.166 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.501 8.354 -6.280 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.441 9.018 -8.436 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.182 10.257 -7.184 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.866 9.139 -7.617 1.00 0.15 H new ATOM 1527 N THR A 100 -8.884 6.403 -6.774 1.00 0.11 N ATOM 1528 CA THR A 100 -8.531 5.021 -7.218 1.00 0.11 C ATOM 1529 C THR A 100 -9.224 3.995 -6.323 1.00 0.10 C ATOM 1530 O THR A 100 -9.790 3.028 -6.793 1.00 0.11 O ATOM 1531 CB THR A 100 -7.015 4.827 -7.137 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.368 5.915 -7.777 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.626 3.522 -7.832 1.00 0.12 C ATOM 0 H THR A 100 -8.107 6.953 -6.408 1.00 0.11 H new ATOM 0 HA THR A 100 -8.862 4.882 -8.247 1.00 0.11 H new ATOM 0 HB THR A 100 -6.710 4.783 -6.092 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.996 6.357 -8.386 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.546 3.386 -7.773 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.124 2.686 -7.341 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.930 3.562 -8.878 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.191 4.197 -5.037 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.856 3.232 -4.116 1.00 0.11 C ATOM 1543 C ILE A 101 -11.352 3.190 -4.440 1.00 0.13 C ATOM 1544 O ILE A 101 -11.916 2.139 -4.669 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.633 3.694 -2.664 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.174 3.401 -2.259 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.588 2.949 -1.719 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.781 4.207 -1.010 1.00 0.18 C ATOM 0 H ILE A 101 -8.733 4.987 -4.583 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.437 2.233 -4.239 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.830 4.764 -2.593 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.053 2.336 -2.062 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.506 3.651 -3.083 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.421 3.284 -0.695 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.619 3.157 -2.005 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.402 1.877 -1.785 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.748 3.984 -0.743 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.880 5.272 -1.218 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.436 3.937 -0.182 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.999 4.323 -4.463 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.457 4.345 -4.770 1.00 0.17 C ATOM 1562 C ASN A 102 -13.696 3.768 -6.167 1.00 0.18 C ATOM 1563 O ASN A 102 -14.803 3.417 -6.524 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.964 5.788 -4.722 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.489 5.800 -4.847 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.020 5.740 -5.938 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.218 5.874 -3.769 1.00 1.03 N ATOM 0 H ASN A 102 -11.580 5.235 -4.282 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.992 3.745 -4.034 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.662 6.259 -3.787 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.518 6.368 -5.530 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.235 5.882 -3.841 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.771 5.924 -2.854 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.668 3.674 -6.964 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.835 3.127 -8.339 1.00 0.18 C ATOM 1576 C GLU A 103 -12.960 1.601 -8.286 1.00 0.19 C ATOM 1577 O GLU A 103 -13.943 1.030 -8.713 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.614 3.505 -9.187 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.952 3.366 -10.674 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.758 3.825 -11.515 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.119 4.788 -11.123 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.505 3.208 -12.536 1.00 2.01 O ATOM 0 H GLU A 103 -11.717 3.953 -6.721 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.739 3.545 -8.782 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.310 4.529 -8.968 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.771 2.862 -8.935 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.197 2.330 -10.907 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.831 3.963 -10.915 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.951 0.939 -7.786 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.973 -0.553 -7.721 1.00 0.19 C ATOM 1591 C LEU A 104 -12.521 -1.015 -6.365 1.00 0.19 C ATOM 1592 O LEU A 104 -12.296 -2.134 -5.947 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.542 -1.075 -7.905 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.970 -0.585 -9.251 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.441 -0.656 -9.217 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.484 -1.465 -10.399 1.00 0.35 C ATOM 0 H LEU A 104 -11.104 1.371 -7.416 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.618 -0.944 -8.508 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.912 -0.729 -7.085 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.537 -2.165 -7.873 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.292 0.444 -9.412 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.039 -0.309 -10.169 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.065 -0.023 -8.413 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.128 -1.686 -9.045 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.073 -1.108 -11.343 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.173 -2.496 -10.234 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.572 -1.416 -10.436 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.244 -0.172 -5.677 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.805 -0.583 -4.356 1.00 0.22 C ATOM 1610 C VAL A 105 -14.804 -1.722 -4.563 1.00 0.26 C ATOM 1611 O VAL A 105 -14.889 -2.575 -3.695 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.518 0.602 -3.702 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.613 1.119 -4.634 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.141 0.153 -2.376 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.470 -1.722 -5.586 1.00 1.18 O ATOM 0 H VAL A 105 -13.470 0.779 -5.970 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.993 -0.916 -3.709 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.799 1.400 -3.514 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.120 1.963 -4.167 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.168 1.439 -5.576 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.333 0.324 -4.825 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.649 0.996 -1.909 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.859 -0.645 -2.563 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.358 -0.212 -1.711 1.00 0.27 H new ATOM 1692 N ARG B 4 18.104 3.276 -1.577 1.00 0.00 N ATOM 1693 CA ARG B 4 17.782 2.514 -2.820 1.00 0.00 C ATOM 1694 C ARG B 4 17.731 3.492 -4.012 1.00 0.00 C ATOM 1695 O ARG B 4 18.747 3.764 -4.623 1.00 0.00 O ATOM 1696 CB ARG B 4 16.431 1.775 -2.621 1.00 0.00 C ATOM 1697 CG ARG B 4 16.627 0.243 -2.656 1.00 0.00 C ATOM 1698 CD ARG B 4 17.310 -0.194 -3.975 1.00 0.00 C ATOM 1699 NE ARG B 4 16.563 -1.338 -4.592 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.207 -2.375 -3.882 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.563 -2.469 -2.632 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.514 -3.335 -4.434 1.00 0.00 N ATOM 0 HA ARG B 4 18.549 1.768 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.990 2.067 -1.668 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.731 2.073 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.233 -0.070 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.662 -0.254 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.344 0.645 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.341 -0.487 -3.779 1.00 0.00 H new ATOM 0 HE ARG B 4 16.329 -1.306 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.122 -1.731 -2.204 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.283 -3.281 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.252 -3.274 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.235 -4.146 -3.881 1.00 0.00 H new ATOM 1716 N TYR B 5 16.573 4.031 -4.347 1.00 0.00 N ATOM 1717 CA TYR B 5 16.483 5.000 -5.496 1.00 0.00 C ATOM 1718 C TYR B 5 15.878 6.330 -5.023 1.00 0.00 C ATOM 1719 O TYR B 5 15.805 6.606 -3.841 1.00 0.00 O ATOM 1720 CB TYR B 5 15.656 4.403 -6.654 1.00 0.00 C ATOM 1721 CG TYR B 5 14.479 3.616 -6.142 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.650 2.289 -5.710 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.201 4.201 -6.128 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.544 1.548 -5.254 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.097 3.460 -5.678 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.267 2.134 -5.238 1.00 0.00 C ATOM 1727 OH TYR B 5 11.180 1.411 -4.795 1.00 0.00 O ATOM 0 H TYR B 5 15.689 3.841 -3.875 1.00 0.00 H new ATOM 0 HA TYR B 5 17.490 5.190 -5.867 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.304 5.205 -7.303 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.291 3.757 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.631 1.838 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.069 5.219 -6.463 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.676 0.531 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.115 3.909 -5.669 1.00 0.00 H new ATOM 0 HH TYR B 5 11.488 0.576 -4.384 1.00 0.00 H new ATOM 1737 N VAL B 6 15.499 7.176 -5.944 1.00 0.00 N ATOM 1738 CA VAL B 6 14.958 8.518 -5.572 1.00 0.00 C ATOM 1739 C VAL B 6 13.524 8.436 -5.044 1.00 0.00 C ATOM 1740 O VAL B 6 12.730 7.616 -5.467 1.00 0.00 O ATOM 1741 CB VAL B 6 14.968 9.418 -6.814 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.922 10.887 -6.392 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.237 9.158 -7.619 1.00 0.00 C ATOM 0 H VAL B 6 15.541 6.994 -6.947 1.00 0.00 H new ATOM 0 HA VAL B 6 15.588 8.923 -4.780 1.00 0.00 H new ATOM 0 HB VAL B 6 14.095 9.195 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.929 11.521 -7.279 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.013 11.073 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.791 11.116 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.245 9.797 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.110 9.378 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.265 8.113 -7.927 1.00 0.00 H new ATOM 1753 N CYS B 7 13.180 9.331 -4.152 1.00 0.00 N ATOM 1754 CA CYS B 7 11.791 9.386 -3.612 1.00 0.00 C ATOM 1755 C CYS B 7 11.054 10.514 -4.328 1.00 0.00 C ATOM 1756 O CYS B 7 11.163 11.667 -3.960 1.00 0.00 O ATOM 1757 CB CYS B 7 11.820 9.670 -2.104 1.00 0.00 C ATOM 1758 SG CYS B 7 13.156 8.737 -1.321 1.00 0.00 S ATOM 0 H CYS B 7 13.813 10.034 -3.771 1.00 0.00 H new ATOM 0 HA CYS B 7 11.289 8.432 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.960 10.737 -1.930 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.864 9.397 -1.656 1.00 0.00 H new ATOM 1763 N GLU B 8 10.324 10.206 -5.362 1.00 0.00 N ATOM 1764 CA GLU B 8 9.611 11.282 -6.105 1.00 0.00 C ATOM 1765 C GLU B 8 8.293 11.617 -5.406 1.00 0.00 C ATOM 1766 O GLU B 8 7.272 11.826 -6.037 1.00 0.00 O ATOM 1767 CB GLU B 8 9.335 10.822 -7.541 1.00 0.00 C ATOM 1768 CG GLU B 8 8.890 9.356 -7.532 1.00 0.00 C ATOM 1769 CD GLU B 8 8.203 9.018 -8.858 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.771 9.329 -9.893 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.122 8.455 -8.815 1.00 0.00 O ATOM 0 H GLU B 8 10.190 9.262 -5.724 1.00 0.00 H new ATOM 0 HA GLU B 8 10.237 12.174 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.562 11.445 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.232 10.937 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.751 8.705 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.207 9.178 -6.701 1.00 0.00 H new ATOM 1778 N GLY B 9 8.313 11.718 -4.107 1.00 0.00 N ATOM 1779 CA GLY B 9 7.071 12.094 -3.388 1.00 0.00 C ATOM 1780 C GLY B 9 6.796 13.568 -3.734 1.00 0.00 C ATOM 1781 O GLY B 9 6.888 13.923 -4.892 1.00 0.00 O ATOM 0 H GLY B 9 9.130 11.557 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.238 11.461 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.191 11.964 -2.312 1.00 0.00 H new ATOM 1785 N PRO B 10 6.502 14.416 -2.765 1.00 0.00 N ATOM 1786 CA PRO B 10 6.276 15.842 -3.066 1.00 0.00 C ATOM 1787 C PRO B 10 7.607 16.485 -3.494 1.00 0.00 C ATOM 1788 O PRO B 10 7.815 17.671 -3.334 1.00 0.00 O ATOM 1789 CB PRO B 10 5.756 16.452 -1.745 1.00 0.00 C ATOM 1790 CG PRO B 10 5.838 15.343 -0.656 1.00 0.00 C ATOM 1791 CD PRO B 10 6.352 14.056 -1.340 1.00 0.00 C ATOM 0 HA PRO B 10 5.567 16.002 -3.878 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.356 17.316 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.730 16.801 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.510 15.644 0.148 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.859 15.174 -0.207 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.301 13.733 -0.912 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.649 13.233 -1.212 1.00 0.00 H new ATOM 1799 N SER B 11 8.506 15.701 -4.031 1.00 0.00 N ATOM 1800 CA SER B 11 9.827 16.239 -4.469 1.00 0.00 C ATOM 1801 C SER B 11 9.740 16.678 -5.931 1.00 0.00 C ATOM 1802 O SER B 11 10.503 17.504 -6.390 1.00 0.00 O ATOM 1803 CB SER B 11 10.887 15.142 -4.332 1.00 0.00 C ATOM 1804 OG SER B 11 12.174 15.697 -4.567 1.00 0.00 O ATOM 0 H SER B 11 8.379 14.701 -4.186 1.00 0.00 H new ATOM 0 HA SER B 11 10.098 17.093 -3.849 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.845 14.703 -3.335 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.690 14.339 -5.043 1.00 0.00 H new ATOM 0 HG SER B 11 12.854 14.996 -4.478 1.00 0.00 H new