USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 798 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 69 CYS SG : rot -114:sc= -0.601 USER MOD Set 1.2: A 78 GLN : amide:sc= -4.87! C(o=-5.5!,f=-5.3!) USER MOD Set 2.1: A 32 CYS SG : rot -138:sc= -2.74! USER MOD Set 2.2: A 35 CYS SG : rot 105:sc= 0.983 USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= -1.34 (180deg=-1.46) USER MOD Single : A 4 GLN : amide:sc= -0.492 K(o=-0.49,f=-2.1!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 138:sc= -0.904 (180deg=-2.77!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.01! C(o=-4!,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0789 USER MOD Single : A 30 THR OG1 : rot 87:sc= 0.0126 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.361 K(o=0.36,f=-4.5!) USER MOD Single : A 44 SER OG : rot 157:sc= 0.831 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0998) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.3!) USER MOD Single : A 62 CYS SG : rot 92:sc= 0.0143 USER MOD Single : A 63 GLN : amide:sc= 0.297 X(o=0.3,f=-0.039) USER MOD Single : A 67 SER OG : rot -8:sc= 0.536! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.306 USER MOD Single : A 74 THR OG1 : rot -91:sc= 0.0476 USER MOD Single : A 76 THR OG1 : rot 105:sc= 0.725 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.3) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 0.591 (180deg=0.461) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.36! K(o=-6.4!,f=-0.22) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 94:sc= -0.602! USER MOD Single : A 102 ASN : amide:sc= -0.0647 K(o=-0.065,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.237 -0.339 8.820 1.00 0.14 N ATOM 21 CA VAL A 2 -2.921 -0.283 8.119 1.00 0.17 C ATOM 22 C VAL A 2 -1.918 -1.216 8.810 1.00 0.20 C ATOM 23 O VAL A 2 -1.904 -1.323 10.021 1.00 0.20 O ATOM 24 CB VAL A 2 -2.392 1.148 8.159 1.00 0.15 C ATOM 25 CG1 VAL A 2 -1.115 1.232 7.323 1.00 0.20 C ATOM 26 CG2 VAL A 2 -3.443 2.091 7.568 1.00 0.17 C ATOM 0 HA VAL A 2 -3.050 -0.602 7.085 1.00 0.17 H new ATOM 0 HB VAL A 2 -2.180 1.434 9.189 1.00 0.15 H new ATOM 0 HG11 VAL A 2 -0.731 2.252 7.347 1.00 0.20 H new ATOM 0 HG12 VAL A 2 -0.367 0.553 7.732 1.00 0.20 H new ATOM 0 HG13 VAL A 2 -1.335 0.951 6.293 1.00 0.20 H new ATOM 0 HG21 VAL A 2 -3.069 3.115 7.595 1.00 0.17 H new ATOM 0 HG22 VAL A 2 -3.648 1.806 6.536 1.00 0.17 H new ATOM 0 HG23 VAL A 2 -4.361 2.025 8.152 1.00 0.17 H new ATOM 36 N LYS A 3 -1.101 -1.870 8.022 1.00 0.26 N ATOM 37 CA LYS A 3 -0.090 -2.805 8.611 1.00 0.33 C ATOM 38 C LYS A 3 1.282 -2.573 7.968 1.00 0.30 C ATOM 39 O LYS A 3 1.377 -2.277 6.794 1.00 0.24 O ATOM 40 CB LYS A 3 -0.531 -4.248 8.358 1.00 0.39 C ATOM 41 CG LYS A 3 0.281 -5.191 9.259 1.00 0.55 C ATOM 42 CD LYS A 3 -0.385 -5.291 10.639 1.00 1.88 C ATOM 43 CE LYS A 3 -1.247 -6.556 10.692 1.00 1.68 C ATOM 44 NZ LYS A 3 -2.041 -6.701 9.441 1.00 1.86 N ATOM 0 H LYS A 3 -1.089 -1.799 7.005 1.00 0.26 H new ATOM 0 HA LYS A 3 -0.015 -2.621 9.683 1.00 0.33 H new ATOM 0 HB2 LYS A 3 -1.596 -4.357 8.564 1.00 0.39 H new ATOM 0 HB3 LYS A 3 -0.381 -4.508 7.310 1.00 0.39 H new ATOM 0 HG2 LYS A 3 0.345 -6.179 8.803 1.00 0.55 H new ATOM 0 HG3 LYS A 3 1.301 -4.821 9.363 1.00 0.55 H new ATOM 0 HD2 LYS A 3 0.374 -5.321 11.421 1.00 1.88 H new ATOM 0 HD3 LYS A 3 -0.999 -4.410 10.824 1.00 1.88 H new ATOM 0 HE2 LYS A 3 -0.611 -7.431 10.829 1.00 1.68 H new ATOM 0 HE3 LYS A 3 -1.916 -6.511 11.551 1.00 1.68 H new ATOM 0 HZ1 LYS A 3 -2.669 -7.526 9.522 1.00 1.86 H new ATOM 0 HZ2 LYS A 3 -2.612 -5.845 9.291 1.00 1.86 H new ATOM 0 HZ3 LYS A 3 -1.398 -6.834 8.635 1.00 1.86 H new ATOM 58 N GLN A 4 2.314 -2.713 8.757 1.00 0.37 N ATOM 59 CA GLN A 4 3.691 -2.509 8.216 1.00 0.36 C ATOM 60 C GLN A 4 4.348 -3.862 7.919 1.00 0.36 C ATOM 61 O GLN A 4 4.374 -4.740 8.758 1.00 0.55 O ATOM 62 CB GLN A 4 4.526 -1.755 9.250 1.00 0.43 C ATOM 63 CG GLN A 4 5.854 -1.336 8.613 1.00 0.53 C ATOM 64 CD GLN A 4 5.881 0.185 8.454 1.00 1.45 C ATOM 65 OE1 GLN A 4 4.897 0.800 8.097 1.00 2.60 O ATOM 66 NE2 GLN A 4 6.987 0.830 8.708 1.00 1.64 N ATOM 0 H GLN A 4 2.265 -2.958 9.746 1.00 0.37 H new ATOM 0 HA GLN A 4 3.633 -1.934 7.292 1.00 0.36 H new ATOM 0 HB2 GLN A 4 3.985 -0.877 9.603 1.00 0.43 H new ATOM 0 HB3 GLN A 4 4.709 -2.387 10.119 1.00 0.43 H new ATOM 0 HG2 GLN A 4 6.688 -1.663 9.234 1.00 0.53 H new ATOM 0 HG3 GLN A 4 5.972 -1.817 7.642 1.00 0.53 H new ATOM 0 HE21 GLN A 4 7.818 0.320 9.008 1.00 1.64 H new ATOM 0 HE22 GLN A 4 7.021 1.844 8.606 1.00 1.64 H new ATOM 75 N ILE A 5 4.863 -4.000 6.727 1.00 0.19 N ATOM 76 CA ILE A 5 5.527 -5.288 6.361 1.00 0.16 C ATOM 77 C ILE A 5 6.979 -5.280 6.851 1.00 0.20 C ATOM 78 O ILE A 5 7.461 -4.280 7.346 1.00 0.27 O ATOM 79 CB ILE A 5 5.504 -5.447 4.833 1.00 0.13 C ATOM 80 CG1 ILE A 5 4.063 -5.240 4.314 1.00 0.10 C ATOM 81 CG2 ILE A 5 6.017 -6.848 4.443 1.00 0.15 C ATOM 82 CD1 ILE A 5 3.093 -6.172 5.052 1.00 0.10 C ATOM 0 H ILE A 5 4.854 -3.287 5.997 1.00 0.19 H new ATOM 0 HA ILE A 5 4.996 -6.118 6.828 1.00 0.16 H new ATOM 0 HB ILE A 5 6.156 -4.699 4.381 1.00 0.13 H new ATOM 0 HG12 ILE A 5 3.762 -4.202 4.459 1.00 0.10 H new ATOM 0 HG13 ILE A 5 4.023 -5.437 3.243 1.00 0.10 H new ATOM 0 HG21 ILE A 5 5.998 -6.954 3.358 1.00 0.15 H new ATOM 0 HG22 ILE A 5 7.038 -6.974 4.802 1.00 0.15 H new ATOM 0 HG23 ILE A 5 5.378 -7.608 4.893 1.00 0.15 H new ATOM 0 HD11 ILE A 5 2.082 -6.016 4.677 1.00 0.10 H new ATOM 0 HD12 ILE A 5 3.386 -7.208 4.885 1.00 0.10 H new ATOM 0 HD13 ILE A 5 3.121 -5.955 6.120 1.00 0.10 H new ATOM 94 N GLU A 6 7.649 -6.393 6.705 1.00 0.14 N ATOM 95 CA GLU A 6 9.069 -6.455 7.161 1.00 0.17 C ATOM 96 C GLU A 6 9.900 -7.336 6.220 1.00 0.12 C ATOM 97 O GLU A 6 11.060 -7.065 5.980 1.00 0.20 O ATOM 98 CB GLU A 6 9.115 -7.033 8.571 1.00 0.24 C ATOM 99 CG GLU A 6 7.986 -8.049 8.729 1.00 1.00 C ATOM 100 CD GLU A 6 6.711 -7.327 9.167 1.00 2.45 C ATOM 101 OE1 GLU A 6 6.817 -6.572 10.121 1.00 2.44 O ATOM 102 OE2 GLU A 6 5.704 -7.571 8.524 1.00 3.84 O ATOM 0 H GLU A 6 7.281 -7.251 6.295 1.00 0.14 H new ATOM 0 HA GLU A 6 9.488 -5.449 7.155 1.00 0.17 H new ATOM 0 HB2 GLU A 6 10.078 -7.510 8.751 1.00 0.24 H new ATOM 0 HB3 GLU A 6 9.011 -6.237 9.308 1.00 0.24 H new ATOM 0 HG2 GLU A 6 7.817 -8.570 7.787 1.00 1.00 H new ATOM 0 HG3 GLU A 6 8.261 -8.804 9.466 1.00 1.00 H new ATOM 109 N SER A 7 9.291 -8.371 5.708 1.00 0.11 N ATOM 110 CA SER A 7 10.042 -9.277 4.786 1.00 0.19 C ATOM 111 C SER A 7 9.113 -9.824 3.696 1.00 0.20 C ATOM 112 O SER A 7 7.946 -9.489 3.644 1.00 0.15 O ATOM 113 CB SER A 7 10.619 -10.438 5.594 1.00 0.25 C ATOM 114 OG SER A 7 9.479 -11.189 5.985 1.00 0.29 O ATOM 0 H SER A 7 8.320 -8.628 5.883 1.00 0.11 H new ATOM 0 HA SER A 7 10.845 -8.716 4.308 1.00 0.19 H new ATOM 0 HB2 SER A 7 11.305 -11.038 4.996 1.00 0.25 H new ATOM 0 HB3 SER A 7 11.178 -10.082 6.460 1.00 0.25 H new ATOM 0 HG SER A 7 9.763 -11.964 6.513 1.00 0.29 H new ATOM 120 N LYS A 8 9.654 -10.659 2.849 1.00 0.28 N ATOM 121 CA LYS A 8 8.821 -11.240 1.755 1.00 0.30 C ATOM 122 C LYS A 8 7.842 -12.259 2.338 1.00 0.30 C ATOM 123 O LYS A 8 6.663 -12.234 2.047 1.00 0.28 O ATOM 124 CB LYS A 8 9.745 -11.926 0.737 1.00 0.41 C ATOM 125 CG LYS A 8 8.932 -12.388 -0.484 1.00 0.32 C ATOM 126 CD LYS A 8 9.592 -13.631 -1.084 1.00 0.85 C ATOM 127 CE LYS A 8 11.048 -13.310 -1.422 1.00 1.63 C ATOM 128 NZ LYS A 8 11.943 -13.694 -0.295 1.00 3.01 N ATOM 0 H LYS A 8 10.628 -10.962 2.866 1.00 0.28 H new ATOM 0 HA LYS A 8 8.255 -10.450 1.262 1.00 0.30 H new ATOM 0 HB2 LYS A 8 10.529 -11.237 0.423 1.00 0.41 H new ATOM 0 HB3 LYS A 8 10.239 -12.780 1.200 1.00 0.41 H new ATOM 0 HG2 LYS A 8 7.906 -12.612 -0.190 1.00 0.32 H new ATOM 0 HG3 LYS A 8 8.884 -11.592 -1.227 1.00 0.32 H new ATOM 0 HD2 LYS A 8 9.544 -14.460 -0.378 1.00 0.85 H new ATOM 0 HD3 LYS A 8 9.058 -13.944 -1.981 1.00 0.85 H new ATOM 0 HE2 LYS A 8 11.343 -13.842 -2.326 1.00 1.63 H new ATOM 0 HE3 LYS A 8 11.153 -12.245 -1.631 1.00 1.63 H new ATOM 0 HZ1 LYS A 8 12.800 -14.148 -0.671 1.00 3.01 H new ATOM 0 HZ2 LYS A 8 12.209 -12.844 0.242 1.00 3.01 H new ATOM 0 HZ3 LYS A 8 11.446 -14.359 0.332 1.00 3.01 H new ATOM 142 N THR A 9 8.355 -13.131 3.147 1.00 0.35 N ATOM 143 CA THR A 9 7.478 -14.163 3.765 1.00 0.40 C ATOM 144 C THR A 9 6.238 -13.498 4.350 1.00 0.34 C ATOM 145 O THR A 9 5.158 -14.055 4.336 1.00 0.39 O ATOM 146 CB THR A 9 8.248 -14.878 4.877 1.00 0.47 C ATOM 147 OG1 THR A 9 9.314 -15.547 4.209 1.00 0.57 O ATOM 148 CG2 THR A 9 7.413 -15.985 5.514 1.00 0.61 C ATOM 0 H THR A 9 9.339 -13.178 3.410 1.00 0.35 H new ATOM 0 HA THR A 9 7.174 -14.885 3.007 1.00 0.40 H new ATOM 0 HB THR A 9 8.546 -14.162 5.643 1.00 0.47 H new ATOM 0 HG1 THR A 9 9.858 -16.031 4.865 1.00 0.57 H new ATOM 0 HG21 THR A 9 7.992 -16.471 6.299 1.00 0.61 H new ATOM 0 HG22 THR A 9 6.507 -15.556 5.943 1.00 0.61 H new ATOM 0 HG23 THR A 9 7.143 -16.719 4.755 1.00 0.61 H new ATOM 156 N ALA A 10 6.430 -12.320 4.851 1.00 0.25 N ATOM 157 CA ALA A 10 5.290 -11.576 5.446 1.00 0.24 C ATOM 158 C ALA A 10 4.369 -11.052 4.345 1.00 0.18 C ATOM 159 O ALA A 10 3.187 -11.330 4.335 1.00 0.18 O ATOM 160 CB ALA A 10 5.830 -10.403 6.251 1.00 0.22 C ATOM 0 H ALA A 10 7.327 -11.836 4.876 1.00 0.25 H new ATOM 0 HA ALA A 10 4.723 -12.245 6.093 1.00 0.24 H new ATOM 0 HB1 ALA A 10 5.000 -9.851 6.691 1.00 0.22 H new ATOM 0 HB2 ALA A 10 6.480 -10.774 7.043 1.00 0.22 H new ATOM 0 HB3 ALA A 10 6.398 -9.742 5.596 1.00 0.22 H new ATOM 166 N PHE A 11 4.936 -10.295 3.442 1.00 0.14 N ATOM 167 CA PHE A 11 4.117 -9.740 2.325 1.00 0.08 C ATOM 168 C PHE A 11 3.184 -10.822 1.777 1.00 0.13 C ATOM 169 O PHE A 11 2.100 -10.536 1.308 1.00 0.15 O ATOM 170 CB PHE A 11 5.059 -9.261 1.219 1.00 0.07 C ATOM 171 CG PHE A 11 4.245 -8.631 0.085 1.00 0.10 C ATOM 172 CD1 PHE A 11 3.551 -7.451 0.289 1.00 0.10 C ATOM 173 CD2 PHE A 11 4.195 -9.233 -1.161 1.00 0.17 C ATOM 174 CE1 PHE A 11 2.820 -6.885 -0.736 1.00 0.16 C ATOM 175 CE2 PHE A 11 3.462 -8.664 -2.184 1.00 0.21 C ATOM 176 CZ PHE A 11 2.775 -7.491 -1.969 1.00 0.20 C ATOM 0 H PHE A 11 5.923 -10.039 3.429 1.00 0.14 H new ATOM 0 HA PHE A 11 3.514 -8.907 2.687 1.00 0.08 H new ATOM 0 HB2 PHE A 11 5.766 -8.534 1.619 1.00 0.07 H new ATOM 0 HB3 PHE A 11 5.644 -10.098 0.838 1.00 0.07 H new ATOM 0 HD1 PHE A 11 3.582 -6.970 1.256 1.00 0.10 H new ATOM 0 HD2 PHE A 11 4.733 -10.154 -1.334 1.00 0.17 H new ATOM 0 HE1 PHE A 11 2.282 -5.964 -0.569 1.00 0.16 H new ATOM 0 HE2 PHE A 11 3.428 -9.140 -3.153 1.00 0.21 H new ATOM 0 HZ PHE A 11 2.201 -7.047 -2.769 1.00 0.20 H new ATOM 186 N GLN A 12 3.631 -12.045 1.848 1.00 0.14 N ATOM 187 CA GLN A 12 2.788 -13.169 1.338 1.00 0.19 C ATOM 188 C GLN A 12 1.672 -13.490 2.335 1.00 0.22 C ATOM 189 O GLN A 12 0.551 -13.767 1.955 1.00 0.30 O ATOM 190 CB GLN A 12 3.676 -14.401 1.131 1.00 0.19 C ATOM 191 CG GLN A 12 2.802 -15.657 1.034 1.00 2.14 C ATOM 192 CD GLN A 12 1.581 -15.367 0.159 1.00 2.53 C ATOM 193 OE1 GLN A 12 1.685 -14.771 -0.895 1.00 2.00 O ATOM 194 NE2 GLN A 12 0.407 -15.771 0.559 1.00 3.77 N ATOM 0 H GLN A 12 4.536 -12.316 2.233 1.00 0.14 H new ATOM 0 HA GLN A 12 2.331 -12.880 0.392 1.00 0.19 H new ATOM 0 HB2 GLN A 12 4.267 -14.287 0.223 1.00 0.19 H new ATOM 0 HB3 GLN A 12 4.379 -14.498 1.959 1.00 0.19 H new ATOM 0 HG2 GLN A 12 3.377 -16.481 0.611 1.00 2.14 H new ATOM 0 HG3 GLN A 12 2.483 -15.968 2.029 1.00 2.14 H new ATOM 0 HE21 GLN A 12 0.314 -16.272 1.443 1.00 3.77 H new ATOM 0 HE22 GLN A 12 -0.418 -15.586 -0.012 1.00 3.77 H new ATOM 203 N GLU A 13 2.007 -13.441 3.586 1.00 0.40 N ATOM 204 CA GLU A 13 0.987 -13.748 4.635 1.00 0.48 C ATOM 205 C GLU A 13 -0.051 -12.624 4.719 1.00 0.44 C ATOM 206 O GLU A 13 -1.225 -12.875 4.909 1.00 0.44 O ATOM 207 CB GLU A 13 1.689 -13.896 5.984 1.00 0.57 C ATOM 208 CG GLU A 13 2.545 -15.164 5.965 1.00 0.26 C ATOM 209 CD GLU A 13 1.803 -16.284 6.697 1.00 0.86 C ATOM 210 OE1 GLU A 13 1.955 -16.336 7.906 1.00 0.83 O ATOM 211 OE2 GLU A 13 1.125 -17.027 6.005 1.00 2.02 O ATOM 0 H GLU A 13 2.936 -13.204 3.935 1.00 0.40 H new ATOM 0 HA GLU A 13 0.476 -14.675 4.375 1.00 0.48 H new ATOM 0 HB2 GLU A 13 2.313 -13.024 6.181 1.00 0.57 H new ATOM 0 HB3 GLU A 13 0.954 -13.950 6.787 1.00 0.57 H new ATOM 0 HG2 GLU A 13 2.753 -15.461 4.937 1.00 0.26 H new ATOM 0 HG3 GLU A 13 3.506 -14.975 6.443 1.00 0.26 H new ATOM 218 N ALA A 14 0.401 -11.409 4.578 1.00 0.43 N ATOM 219 CA ALA A 14 -0.552 -10.263 4.649 1.00 0.41 C ATOM 220 C ALA A 14 -1.643 -10.423 3.587 1.00 0.35 C ATOM 221 O ALA A 14 -2.810 -10.214 3.854 1.00 0.35 O ATOM 222 CB ALA A 14 0.210 -8.961 4.407 1.00 0.38 C ATOM 0 H ALA A 14 1.377 -11.160 4.418 1.00 0.43 H new ATOM 0 HA ALA A 14 -1.017 -10.241 5.634 1.00 0.41 H new ATOM 0 HB1 ALA A 14 -0.481 -8.120 4.458 1.00 0.38 H new ATOM 0 HB2 ALA A 14 0.981 -8.844 5.169 1.00 0.38 H new ATOM 0 HB3 ALA A 14 0.675 -8.989 3.422 1.00 0.38 H new ATOM 228 N LEU A 15 -1.238 -10.791 2.404 1.00 0.30 N ATOM 229 CA LEU A 15 -2.238 -10.973 1.313 1.00 0.26 C ATOM 230 C LEU A 15 -3.079 -12.224 1.579 1.00 0.35 C ATOM 231 O LEU A 15 -4.085 -12.448 0.938 1.00 0.34 O ATOM 232 CB LEU A 15 -1.501 -11.120 -0.021 1.00 0.21 C ATOM 233 CG LEU A 15 -0.661 -9.860 -0.279 1.00 0.12 C ATOM 234 CD1 LEU A 15 0.114 -10.031 -1.584 1.00 0.14 C ATOM 235 CD2 LEU A 15 -1.580 -8.639 -0.401 1.00 0.09 C ATOM 0 H LEU A 15 -0.268 -10.972 2.146 1.00 0.30 H new ATOM 0 HA LEU A 15 -2.898 -10.106 1.276 1.00 0.26 H new ATOM 0 HB2 LEU A 15 -0.859 -12.001 0.000 1.00 0.21 H new ATOM 0 HB3 LEU A 15 -2.216 -11.266 -0.830 1.00 0.21 H new ATOM 0 HG LEU A 15 0.031 -9.713 0.550 1.00 0.12 H new ATOM 0 HD11 LEU A 15 0.712 -9.139 -1.772 1.00 0.14 H new ATOM 0 HD12 LEU A 15 0.770 -10.898 -1.507 1.00 0.14 H new ATOM 0 HD13 LEU A 15 -0.586 -10.178 -2.406 1.00 0.14 H new ATOM 0 HD21 LEU A 15 -0.979 -7.748 -0.584 1.00 0.09 H new ATOM 0 HD22 LEU A 15 -2.272 -8.786 -1.230 1.00 0.09 H new ATOM 0 HD23 LEU A 15 -2.143 -8.513 0.524 1.00 0.09 H new ATOM 247 N ASP A 16 -2.644 -13.009 2.523 1.00 0.45 N ATOM 248 CA ASP A 16 -3.406 -14.248 2.854 1.00 0.56 C ATOM 249 C ASP A 16 -4.354 -13.979 4.023 1.00 0.61 C ATOM 250 O ASP A 16 -5.284 -14.725 4.257 1.00 0.67 O ATOM 251 CB ASP A 16 -2.425 -15.355 3.234 1.00 0.65 C ATOM 252 CG ASP A 16 -3.058 -16.715 2.934 1.00 0.55 C ATOM 253 OD1 ASP A 16 -3.862 -17.132 3.752 1.00 1.32 O ATOM 254 OD2 ASP A 16 -2.703 -17.261 1.902 1.00 0.53 O ATOM 0 H ASP A 16 -1.802 -12.851 3.076 1.00 0.45 H new ATOM 0 HA ASP A 16 -3.990 -14.557 1.987 1.00 0.56 H new ATOM 0 HB2 ASP A 16 -1.496 -15.242 2.675 1.00 0.65 H new ATOM 0 HB3 ASP A 16 -2.171 -15.284 4.292 1.00 0.65 H new ATOM 259 N ALA A 17 -4.093 -12.915 4.728 1.00 0.62 N ATOM 260 CA ALA A 17 -4.966 -12.566 5.889 1.00 0.71 C ATOM 261 C ALA A 17 -5.946 -11.459 5.489 1.00 0.62 C ATOM 262 O ALA A 17 -6.854 -11.133 6.226 1.00 0.65 O ATOM 263 CB ALA A 17 -4.091 -12.078 7.043 1.00 0.84 C ATOM 0 H ALA A 17 -3.319 -12.274 4.555 1.00 0.62 H new ATOM 0 HA ALA A 17 -5.529 -13.447 6.197 1.00 0.71 H new ATOM 0 HB1 ALA A 17 -4.721 -11.821 7.894 1.00 0.84 H new ATOM 0 HB2 ALA A 17 -3.396 -12.866 7.331 1.00 0.84 H new ATOM 0 HB3 ALA A 17 -3.531 -11.198 6.728 1.00 0.84 H new ATOM 269 N ALA A 18 -5.737 -10.909 4.326 1.00 0.54 N ATOM 270 CA ALA A 18 -6.643 -9.823 3.854 1.00 0.47 C ATOM 271 C ALA A 18 -7.829 -10.420 3.090 1.00 0.37 C ATOM 272 O ALA A 18 -8.655 -9.702 2.563 1.00 0.39 O ATOM 273 CB ALA A 18 -5.862 -8.892 2.930 1.00 0.46 C ATOM 0 H ALA A 18 -4.984 -11.161 3.685 1.00 0.54 H new ATOM 0 HA ALA A 18 -7.020 -9.268 4.713 1.00 0.47 H new ATOM 0 HB1 ALA A 18 -6.517 -8.094 2.579 1.00 0.46 H new ATOM 0 HB2 ALA A 18 -5.022 -8.460 3.474 1.00 0.46 H new ATOM 0 HB3 ALA A 18 -5.489 -9.457 2.076 1.00 0.46 H new ATOM 279 N GLY A 19 -7.886 -11.722 3.048 1.00 0.31 N ATOM 280 CA GLY A 19 -9.007 -12.379 2.321 1.00 0.24 C ATOM 281 C GLY A 19 -8.896 -12.107 0.821 1.00 0.27 C ATOM 282 O GLY A 19 -7.982 -12.574 0.171 1.00 0.39 O ATOM 0 H GLY A 19 -7.212 -12.354 3.481 1.00 0.31 H new ATOM 0 HA2 GLY A 19 -8.989 -13.453 2.505 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -9.961 -12.007 2.696 1.00 0.24 H new ATOM 286 N ASP A 20 -9.831 -11.355 0.305 1.00 0.21 N ATOM 287 CA ASP A 20 -9.799 -11.030 -1.156 1.00 0.25 C ATOM 288 C ASP A 20 -10.140 -9.551 -1.389 1.00 0.28 C ATOM 289 O ASP A 20 -9.846 -9.006 -2.434 1.00 0.36 O ATOM 290 CB ASP A 20 -10.818 -11.909 -1.882 1.00 0.30 C ATOM 291 CG ASP A 20 -11.711 -12.604 -0.852 1.00 0.76 C ATOM 292 OD1 ASP A 20 -12.629 -11.943 -0.397 1.00 1.66 O ATOM 293 OD2 ASP A 20 -11.423 -13.757 -0.578 1.00 1.34 O ATOM 0 H ASP A 20 -10.611 -10.953 0.825 1.00 0.21 H new ATOM 0 HA ASP A 20 -8.797 -11.219 -1.541 1.00 0.25 H new ATOM 0 HB2 ASP A 20 -11.424 -11.303 -2.556 1.00 0.30 H new ATOM 0 HB3 ASP A 20 -10.305 -12.650 -2.495 1.00 0.30 H new ATOM 298 N LYS A 21 -10.757 -8.934 -0.414 1.00 0.25 N ATOM 299 CA LYS A 21 -11.116 -7.493 -0.571 1.00 0.28 C ATOM 300 C LYS A 21 -9.936 -6.721 -1.167 1.00 0.26 C ATOM 301 O LYS A 21 -8.810 -7.175 -1.123 1.00 0.23 O ATOM 302 CB LYS A 21 -11.467 -6.913 0.798 1.00 0.29 C ATOM 303 CG LYS A 21 -12.597 -7.736 1.419 1.00 0.28 C ATOM 304 CD LYS A 21 -12.130 -8.296 2.764 1.00 0.45 C ATOM 305 CE LYS A 21 -13.285 -9.053 3.423 1.00 0.46 C ATOM 306 NZ LYS A 21 -13.667 -8.404 4.709 1.00 0.59 N ATOM 0 H LYS A 21 -11.025 -9.359 0.474 1.00 0.25 H new ATOM 0 HA LYS A 21 -11.971 -7.404 -1.241 1.00 0.28 H new ATOM 0 HB2 LYS A 21 -10.592 -6.927 1.447 1.00 0.29 H new ATOM 0 HB3 LYS A 21 -11.773 -5.872 0.697 1.00 0.29 H new ATOM 0 HG2 LYS A 21 -13.482 -7.115 1.558 1.00 0.28 H new ATOM 0 HG3 LYS A 21 -12.880 -8.550 0.751 1.00 0.28 H new ATOM 0 HD2 LYS A 21 -11.279 -8.962 2.618 1.00 0.45 H new ATOM 0 HD3 LYS A 21 -11.794 -7.486 3.412 1.00 0.45 H new ATOM 0 HE2 LYS A 21 -14.143 -9.076 2.751 1.00 0.46 H new ATOM 0 HE3 LYS A 21 -12.994 -10.088 3.603 1.00 0.46 H new ATOM 0 HZ1 LYS A 21 -14.452 -8.930 5.143 1.00 0.59 H new ATOM 0 HZ2 LYS A 21 -12.851 -8.404 5.354 1.00 0.59 H new ATOM 0 HZ3 LYS A 21 -13.965 -7.424 4.528 1.00 0.59 H new ATOM 320 N LEU A 22 -10.217 -5.569 -1.712 1.00 0.31 N ATOM 321 CA LEU A 22 -9.116 -4.763 -2.316 1.00 0.30 C ATOM 322 C LEU A 22 -7.965 -4.616 -1.319 1.00 0.26 C ATOM 323 O LEU A 22 -8.184 -4.457 -0.134 1.00 0.23 O ATOM 324 CB LEU A 22 -9.651 -3.367 -2.681 1.00 0.36 C ATOM 325 CG LEU A 22 -9.805 -3.212 -4.209 1.00 0.65 C ATOM 326 CD1 LEU A 22 -8.431 -3.364 -4.892 1.00 1.68 C ATOM 327 CD2 LEU A 22 -10.804 -4.260 -4.747 1.00 1.96 C ATOM 0 H LEU A 22 -11.147 -5.155 -1.766 1.00 0.31 H new ATOM 0 HA LEU A 22 -8.752 -5.269 -3.211 1.00 0.30 H new ATOM 0 HB2 LEU A 22 -10.614 -3.206 -2.197 1.00 0.36 H new ATOM 0 HB3 LEU A 22 -8.972 -2.603 -2.302 1.00 0.36 H new ATOM 0 HG LEU A 22 -10.194 -2.219 -4.434 1.00 0.65 H new ATOM 0 HD11 LEU A 22 -8.546 -3.254 -5.970 1.00 1.68 H new ATOM 0 HD12 LEU A 22 -7.753 -2.597 -4.519 1.00 1.68 H new ATOM 0 HD13 LEU A 22 -8.021 -4.349 -4.670 1.00 1.68 H new ATOM 0 HD21 LEU A 22 -10.907 -4.144 -5.826 1.00 1.96 H new ATOM 0 HD22 LEU A 22 -10.436 -5.261 -4.523 1.00 1.96 H new ATOM 0 HD23 LEU A 22 -11.774 -4.115 -4.272 1.00 1.96 H new ATOM 339 N VAL A 23 -6.761 -4.675 -1.830 1.00 0.29 N ATOM 340 CA VAL A 23 -5.569 -4.540 -0.943 1.00 0.28 C ATOM 341 C VAL A 23 -4.608 -3.514 -1.559 1.00 0.29 C ATOM 342 O VAL A 23 -3.879 -3.822 -2.480 1.00 0.30 O ATOM 343 CB VAL A 23 -4.881 -5.915 -0.838 1.00 0.28 C ATOM 344 CG1 VAL A 23 -4.030 -6.002 0.439 1.00 0.26 C ATOM 345 CG2 VAL A 23 -5.949 -7.011 -0.796 1.00 0.29 C ATOM 0 H VAL A 23 -6.554 -4.810 -2.820 1.00 0.29 H new ATOM 0 HA VAL A 23 -5.862 -4.203 0.051 1.00 0.28 H new ATOM 0 HB VAL A 23 -4.233 -6.046 -1.705 1.00 0.28 H new ATOM 0 HG11 VAL A 23 -3.554 -6.981 0.493 1.00 0.26 H new ATOM 0 HG12 VAL A 23 -3.264 -5.226 0.420 1.00 0.26 H new ATOM 0 HG13 VAL A 23 -4.668 -5.860 1.312 1.00 0.26 H new ATOM 0 HG21 VAL A 23 -5.467 -7.986 -0.722 1.00 0.29 H new ATOM 0 HG22 VAL A 23 -6.594 -6.858 0.070 1.00 0.29 H new ATOM 0 HG23 VAL A 23 -6.548 -6.971 -1.706 1.00 0.29 H new ATOM 355 N VAL A 24 -4.626 -2.315 -1.031 1.00 0.28 N ATOM 356 CA VAL A 24 -3.740 -1.250 -1.603 1.00 0.28 C ATOM 357 C VAL A 24 -2.467 -1.085 -0.767 1.00 0.28 C ATOM 358 O VAL A 24 -2.527 -0.884 0.432 1.00 0.41 O ATOM 359 CB VAL A 24 -4.504 0.068 -1.625 1.00 0.28 C ATOM 360 CG1 VAL A 24 -3.605 1.153 -2.213 1.00 0.28 C ATOM 361 CG2 VAL A 24 -5.748 -0.085 -2.501 1.00 0.28 C ATOM 0 H VAL A 24 -5.205 -2.029 -0.242 1.00 0.28 H new ATOM 0 HA VAL A 24 -3.451 -1.540 -2.613 1.00 0.28 H new ATOM 0 HB VAL A 24 -4.801 0.341 -0.612 1.00 0.28 H new ATOM 0 HG11 VAL A 24 -4.144 2.100 -2.233 1.00 0.28 H new ATOM 0 HG12 VAL A 24 -2.711 1.257 -1.599 1.00 0.28 H new ATOM 0 HG13 VAL A 24 -3.318 0.877 -3.228 1.00 0.28 H new ATOM 0 HG21 VAL A 24 -6.298 0.856 -2.520 1.00 0.28 H new ATOM 0 HG22 VAL A 24 -5.449 -0.350 -3.515 1.00 0.28 H new ATOM 0 HG23 VAL A 24 -6.386 -0.870 -2.094 1.00 0.28 H new ATOM 371 N VAL A 25 -1.337 -1.154 -1.430 1.00 0.18 N ATOM 372 CA VAL A 25 -0.037 -1.012 -0.702 1.00 0.18 C ATOM 373 C VAL A 25 0.563 0.375 -0.921 1.00 0.20 C ATOM 374 O VAL A 25 0.340 1.002 -1.937 1.00 0.18 O ATOM 375 CB VAL A 25 0.946 -2.062 -1.216 1.00 0.13 C ATOM 376 CG1 VAL A 25 2.257 -1.941 -0.438 1.00 0.20 C ATOM 377 CG2 VAL A 25 0.362 -3.458 -1.000 1.00 0.08 C ATOM 0 H VAL A 25 -1.259 -1.301 -2.436 1.00 0.18 H new ATOM 0 HA VAL A 25 -0.222 -1.151 0.363 1.00 0.18 H new ATOM 0 HB VAL A 25 1.127 -1.904 -2.279 1.00 0.13 H new ATOM 0 HG11 VAL A 25 2.965 -2.687 -0.799 1.00 0.20 H new ATOM 0 HG12 VAL A 25 2.675 -0.945 -0.582 1.00 0.20 H new ATOM 0 HG13 VAL A 25 2.067 -2.104 0.623 1.00 0.20 H new ATOM 0 HG21 VAL A 25 1.064 -4.207 -1.367 1.00 0.08 H new ATOM 0 HG22 VAL A 25 0.184 -3.618 0.064 1.00 0.08 H new ATOM 0 HG23 VAL A 25 -0.579 -3.546 -1.542 1.00 0.08 H new ATOM 387 N ASP A 26 1.318 0.816 0.055 1.00 0.25 N ATOM 388 CA ASP A 26 1.975 2.150 -0.049 1.00 0.27 C ATOM 389 C ASP A 26 3.494 1.979 0.014 1.00 0.28 C ATOM 390 O ASP A 26 4.086 2.038 1.075 1.00 0.29 O ATOM 391 CB ASP A 26 1.514 3.027 1.113 1.00 0.30 C ATOM 392 CG ASP A 26 2.003 4.460 0.895 1.00 0.32 C ATOM 393 OD1 ASP A 26 2.166 4.809 -0.263 1.00 1.33 O ATOM 394 OD2 ASP A 26 2.187 5.127 1.900 1.00 0.71 O ATOM 0 H ASP A 26 1.506 0.307 0.919 1.00 0.25 H new ATOM 0 HA ASP A 26 1.704 2.619 -0.995 1.00 0.27 H new ATOM 0 HB2 ASP A 26 0.427 3.010 1.187 1.00 0.30 H new ATOM 0 HB3 ASP A 26 1.904 2.637 2.054 1.00 0.30 H new ATOM 399 N PHE A 27 4.088 1.759 -1.123 1.00 0.27 N ATOM 400 CA PHE A 27 5.565 1.580 -1.153 1.00 0.29 C ATOM 401 C PHE A 27 6.259 2.933 -1.036 1.00 0.35 C ATOM 402 O PHE A 27 6.455 3.624 -2.016 1.00 0.43 O ATOM 403 CB PHE A 27 5.951 0.914 -2.464 1.00 0.28 C ATOM 404 CG PHE A 27 5.571 -0.560 -2.396 1.00 0.21 C ATOM 405 CD1 PHE A 27 6.421 -1.476 -1.801 1.00 0.19 C ATOM 406 CD2 PHE A 27 4.370 -1.002 -2.925 1.00 0.17 C ATOM 407 CE1 PHE A 27 6.079 -2.810 -1.740 1.00 0.15 C ATOM 408 CE2 PHE A 27 4.033 -2.338 -2.860 1.00 0.13 C ATOM 409 CZ PHE A 27 4.887 -3.239 -2.269 1.00 0.13 C ATOM 0 H PHE A 27 3.620 1.696 -2.027 1.00 0.27 H new ATOM 0 HA PHE A 27 5.876 0.956 -0.315 1.00 0.29 H new ATOM 0 HB2 PHE A 27 5.441 1.397 -3.297 1.00 0.28 H new ATOM 0 HB3 PHE A 27 7.021 1.020 -2.641 1.00 0.28 H new ATOM 0 HD1 PHE A 27 7.359 -1.143 -1.382 1.00 0.19 H new ATOM 0 HD2 PHE A 27 3.695 -0.299 -3.390 1.00 0.17 H new ATOM 0 HE1 PHE A 27 6.749 -3.518 -1.276 1.00 0.15 H new ATOM 0 HE2 PHE A 27 3.095 -2.677 -3.275 1.00 0.13 H new ATOM 0 HZ PHE A 27 4.620 -4.284 -2.221 1.00 0.13 H new ATOM 419 N SER A 28 6.618 3.283 0.166 1.00 0.32 N ATOM 420 CA SER A 28 7.298 4.590 0.372 1.00 0.39 C ATOM 421 C SER A 28 8.271 4.499 1.549 1.00 0.24 C ATOM 422 O SER A 28 8.560 3.424 2.038 1.00 0.23 O ATOM 423 CB SER A 28 6.246 5.658 0.662 1.00 0.52 C ATOM 424 OG SER A 28 6.008 5.543 2.057 1.00 0.49 O ATOM 0 H SER A 28 6.472 2.726 1.008 1.00 0.32 H new ATOM 0 HA SER A 28 7.857 4.851 -0.527 1.00 0.39 H new ATOM 0 HB2 SER A 28 6.606 6.653 0.400 1.00 0.52 H new ATOM 0 HB3 SER A 28 5.336 5.487 0.087 1.00 0.52 H new ATOM 0 HG SER A 28 5.337 6.203 2.330 1.00 0.49 H new ATOM 430 N ALA A 29 8.755 5.636 1.973 1.00 0.15 N ATOM 431 CA ALA A 29 9.711 5.650 3.123 1.00 0.07 C ATOM 432 C ALA A 29 9.006 6.145 4.392 1.00 0.22 C ATOM 433 O ALA A 29 8.446 7.223 4.412 1.00 0.21 O ATOM 434 CB ALA A 29 10.871 6.582 2.791 1.00 0.10 C ATOM 0 H ALA A 29 8.533 6.550 1.578 1.00 0.15 H new ATOM 0 HA ALA A 29 10.080 4.639 3.297 1.00 0.07 H new ATOM 0 HB1 ALA A 29 11.574 6.599 3.624 1.00 0.10 H new ATOM 0 HB2 ALA A 29 11.379 6.226 1.895 1.00 0.10 H new ATOM 0 HB3 ALA A 29 10.491 7.588 2.617 1.00 0.10 H new ATOM 440 N THR A 30 9.050 5.347 5.425 1.00 0.43 N ATOM 441 CA THR A 30 8.387 5.761 6.698 1.00 0.60 C ATOM 442 C THR A 30 9.264 6.771 7.443 1.00 0.70 C ATOM 443 O THR A 30 8.775 7.593 8.192 1.00 0.81 O ATOM 444 CB THR A 30 8.167 4.524 7.575 1.00 0.61 C ATOM 445 OG1 THR A 30 7.067 4.865 8.413 1.00 1.08 O ATOM 446 CG2 THR A 30 9.340 4.288 8.525 1.00 0.82 C ATOM 0 H THR A 30 9.510 4.437 5.445 1.00 0.43 H new ATOM 0 HA THR A 30 7.428 6.227 6.471 1.00 0.60 H new ATOM 0 HB THR A 30 8.030 3.644 6.946 1.00 0.61 H new ATOM 0 HG1 THR A 30 6.228 4.645 7.957 1.00 1.08 H new ATOM 0 HG21 THR A 30 9.146 3.402 9.130 1.00 0.82 H new ATOM 0 HG22 THR A 30 10.252 4.140 7.947 1.00 0.82 H new ATOM 0 HG23 THR A 30 9.460 5.153 9.177 1.00 0.82 H new ATOM 454 N TRP A 31 10.540 6.685 7.216 1.00 0.67 N ATOM 455 CA TRP A 31 11.477 7.625 7.892 1.00 0.79 C ATOM 456 C TRP A 31 11.399 9.006 7.233 1.00 0.80 C ATOM 457 O TRP A 31 11.318 10.017 7.905 1.00 0.92 O ATOM 458 CB TRP A 31 12.888 7.076 7.747 1.00 0.77 C ATOM 459 CG TRP A 31 13.144 6.788 6.268 1.00 0.62 C ATOM 460 CD1 TRP A 31 12.822 5.643 5.667 1.00 0.50 C ATOM 461 CD2 TRP A 31 13.682 7.637 5.407 1.00 0.58 C ATOM 462 NE1 TRP A 31 13.194 5.838 4.394 1.00 0.40 N ATOM 463 CE2 TRP A 31 13.745 7.073 4.146 1.00 0.43 C ATOM 464 CE3 TRP A 31 14.145 8.934 5.594 1.00 0.67 C ATOM 465 CZ2 TRP A 31 14.260 7.787 3.088 1.00 0.37 C ATOM 466 CZ3 TRP A 31 14.661 9.645 4.529 1.00 0.60 C ATOM 467 CH2 TRP A 31 14.719 9.072 3.279 1.00 0.44 C ATOM 0 H TRP A 31 10.978 6.006 6.593 1.00 0.67 H new ATOM 0 HA TRP A 31 11.211 7.722 8.944 1.00 0.79 H new ATOM 0 HB2 TRP A 31 13.615 7.795 8.125 1.00 0.77 H new ATOM 0 HB3 TRP A 31 13.003 6.166 8.336 1.00 0.77 H new ATOM 0 HD1 TRP A 31 12.368 4.765 6.103 1.00 0.50 H new ATOM 0 HE1 TRP A 31 13.078 5.129 3.670 1.00 0.40 H new ATOM 0 HE3 TRP A 31 14.101 9.386 6.574 1.00 0.67 H new ATOM 0 HZ2 TRP A 31 14.304 7.339 2.106 1.00 0.37 H new ATOM 0 HZ3 TRP A 31 15.020 10.653 4.677 1.00 0.60 H new ATOM 0 HH2 TRP A 31 15.124 9.630 2.448 1.00 0.44 H new ATOM 478 N CYS A 32 11.427 9.017 5.927 1.00 0.68 N ATOM 479 CA CYS A 32 11.356 10.318 5.199 1.00 0.70 C ATOM 480 C CYS A 32 10.278 11.214 5.818 1.00 0.69 C ATOM 481 O CYS A 32 9.437 10.752 6.566 1.00 0.69 O ATOM 482 CB CYS A 32 11.017 10.053 3.736 1.00 0.74 C ATOM 483 SG CYS A 32 10.333 11.430 2.780 1.00 1.22 S ATOM 0 H CYS A 32 11.495 8.188 5.336 1.00 0.68 H new ATOM 0 HA CYS A 32 12.319 10.823 5.273 1.00 0.70 H new ATOM 0 HB2 CYS A 32 11.924 9.713 3.236 1.00 0.74 H new ATOM 0 HB3 CYS A 32 10.304 9.229 3.699 1.00 0.74 H new ATOM 0 HG CYS A 32 9.358 11.000 2.036 1.00 1.22 H new ATOM 489 N GLY A 33 10.324 12.477 5.492 1.00 0.68 N ATOM 490 CA GLY A 33 9.311 13.418 6.053 1.00 0.67 C ATOM 491 C GLY A 33 8.133 13.613 5.080 1.00 0.69 C ATOM 492 O GLY A 33 7.028 13.185 5.347 1.00 0.67 O ATOM 0 H GLY A 33 11.013 12.896 4.867 1.00 0.68 H new ATOM 0 HA2 GLY A 33 8.941 13.034 7.004 1.00 0.67 H new ATOM 0 HA3 GLY A 33 9.779 14.380 6.259 1.00 0.67 H new ATOM 496 N PRO A 34 8.401 14.263 3.961 1.00 0.72 N ATOM 497 CA PRO A 34 7.367 14.523 2.946 1.00 0.75 C ATOM 498 C PRO A 34 6.599 13.245 2.585 1.00 0.74 C ATOM 499 O PRO A 34 5.387 13.249 2.515 1.00 0.85 O ATOM 500 CB PRO A 34 8.128 15.060 1.730 1.00 0.79 C ATOM 501 CG PRO A 34 9.598 15.315 2.182 1.00 0.80 C ATOM 502 CD PRO A 34 9.740 14.771 3.618 1.00 0.75 C ATOM 0 HA PRO A 34 6.620 15.228 3.309 1.00 0.75 H new ATOM 0 HB2 PRO A 34 8.097 14.343 0.909 1.00 0.79 H new ATOM 0 HB3 PRO A 34 7.672 15.981 1.367 1.00 0.79 H new ATOM 0 HG2 PRO A 34 10.298 14.816 1.512 1.00 0.80 H new ATOM 0 HG3 PRO A 34 9.830 16.380 2.150 1.00 0.80 H new ATOM 0 HD2 PRO A 34 10.488 13.980 3.669 1.00 0.75 H new ATOM 0 HD3 PRO A 34 10.055 15.553 4.308 1.00 0.75 H new ATOM 510 N CYS A 35 7.315 12.182 2.359 1.00 0.77 N ATOM 511 CA CYS A 35 6.625 10.907 2.001 1.00 0.73 C ATOM 512 C CYS A 35 5.574 10.563 3.062 1.00 0.73 C ATOM 513 O CYS A 35 4.442 10.256 2.741 1.00 0.82 O ATOM 514 CB CYS A 35 7.656 9.785 1.918 1.00 0.70 C ATOM 515 SG CYS A 35 8.890 9.890 0.599 1.00 0.86 S ATOM 0 H CYS A 35 8.333 12.136 2.405 1.00 0.77 H new ATOM 0 HA CYS A 35 6.129 11.023 1.037 1.00 0.73 H new ATOM 0 HB2 CYS A 35 8.183 9.740 2.871 1.00 0.70 H new ATOM 0 HB3 CYS A 35 7.121 8.842 1.805 1.00 0.70 H new ATOM 0 HG CYS A 35 10.034 10.249 1.102 1.00 0.86 H new ATOM 521 N LYS A 36 5.970 10.625 4.303 1.00 0.66 N ATOM 522 CA LYS A 36 5.009 10.307 5.394 1.00 0.64 C ATOM 523 C LYS A 36 4.019 11.456 5.584 1.00 0.72 C ATOM 524 O LYS A 36 2.924 11.243 6.033 1.00 1.09 O ATOM 525 CB LYS A 36 5.787 10.071 6.687 1.00 0.63 C ATOM 526 CG LYS A 36 4.817 9.613 7.780 1.00 0.61 C ATOM 527 CD LYS A 36 5.614 9.072 8.971 1.00 0.26 C ATOM 528 CE LYS A 36 6.584 10.150 9.466 1.00 0.92 C ATOM 529 NZ LYS A 36 7.004 9.868 10.868 1.00 0.88 N ATOM 0 H LYS A 36 6.910 10.880 4.607 1.00 0.66 H new ATOM 0 HA LYS A 36 4.448 9.410 5.131 1.00 0.64 H new ATOM 0 HB2 LYS A 36 6.558 9.317 6.529 1.00 0.63 H new ATOM 0 HB3 LYS A 36 6.293 10.986 6.993 1.00 0.63 H new ATOM 0 HG2 LYS A 36 4.189 10.445 8.096 1.00 0.61 H new ATOM 0 HG3 LYS A 36 4.152 8.841 7.392 1.00 0.61 H new ATOM 0 HD2 LYS A 36 4.937 8.780 9.774 1.00 0.26 H new ATOM 0 HD3 LYS A 36 6.165 8.178 8.678 1.00 0.26 H new ATOM 0 HE2 LYS A 36 7.460 10.186 8.818 1.00 0.92 H new ATOM 0 HE3 LYS A 36 6.108 11.129 9.412 1.00 0.92 H new ATOM 0 HZ1 LYS A 36 7.661 10.607 11.189 1.00 0.88 H new ATOM 0 HZ2 LYS A 36 6.167 9.857 11.485 1.00 0.88 H new ATOM 0 HZ3 LYS A 36 7.477 8.943 10.909 1.00 0.88 H new ATOM 543 N MET A 37 4.417 12.653 5.231 1.00 0.44 N ATOM 544 CA MET A 37 3.471 13.805 5.396 1.00 0.50 C ATOM 545 C MET A 37 2.089 13.408 4.873 1.00 0.51 C ATOM 546 O MET A 37 1.088 13.991 5.235 1.00 0.52 O ATOM 547 CB MET A 37 3.989 15.010 4.613 1.00 0.64 C ATOM 548 CG MET A 37 3.099 16.219 4.910 1.00 1.19 C ATOM 549 SD MET A 37 2.891 16.693 6.643 1.00 1.94 S ATOM 550 CE MET A 37 3.566 18.365 6.504 1.00 1.19 C ATOM 0 H MET A 37 5.333 12.882 4.845 1.00 0.44 H new ATOM 0 HA MET A 37 3.398 14.066 6.452 1.00 0.50 H new ATOM 0 HB2 MET A 37 5.021 15.225 4.892 1.00 0.64 H new ATOM 0 HB3 MET A 37 3.986 14.794 3.545 1.00 0.64 H new ATOM 0 HG2 MET A 37 3.505 17.076 4.373 1.00 1.19 H new ATOM 0 HG3 MET A 37 2.111 16.021 4.494 1.00 1.19 H new ATOM 0 HE1 MET A 37 3.534 18.852 7.478 1.00 1.19 H new ATOM 0 HE2 MET A 37 4.598 18.313 6.158 1.00 1.19 H new ATOM 0 HE3 MET A 37 2.973 18.939 5.792 1.00 1.19 H new ATOM 560 N ILE A 38 2.075 12.415 4.029 1.00 0.54 N ATOM 561 CA ILE A 38 0.783 11.928 3.473 1.00 0.63 C ATOM 562 C ILE A 38 0.245 10.799 4.365 1.00 0.63 C ATOM 563 O ILE A 38 -0.443 9.909 3.910 1.00 0.68 O ATOM 564 CB ILE A 38 1.031 11.388 2.058 1.00 0.80 C ATOM 565 CG1 ILE A 38 1.741 12.464 1.207 1.00 0.70 C ATOM 566 CG2 ILE A 38 -0.305 10.999 1.415 1.00 0.83 C ATOM 567 CD1 ILE A 38 0.944 13.777 1.232 1.00 1.23 C ATOM 0 H ILE A 38 2.903 11.919 3.700 1.00 0.54 H new ATOM 0 HA ILE A 38 0.057 12.740 3.439 1.00 0.63 H new ATOM 0 HB ILE A 38 1.668 10.505 2.112 1.00 0.80 H new ATOM 0 HG12 ILE A 38 2.747 12.634 1.590 1.00 0.70 H new ATOM 0 HG13 ILE A 38 1.846 12.114 0.180 1.00 0.70 H new ATOM 0 HG21 ILE A 38 -0.127 10.616 0.410 1.00 0.83 H new ATOM 0 HG22 ILE A 38 -0.788 10.229 2.017 1.00 0.83 H new ATOM 0 HG23 ILE A 38 -0.951 11.875 1.360 1.00 0.83 H new ATOM 0 HD11 ILE A 38 1.457 14.525 0.628 1.00 1.23 H new ATOM 0 HD12 ILE A 38 -0.053 13.605 0.827 1.00 1.23 H new ATOM 0 HD13 ILE A 38 0.862 14.133 2.259 1.00 1.23 H new ATOM 579 N LYS A 39 0.580 10.874 5.621 1.00 0.85 N ATOM 580 CA LYS A 39 0.129 9.820 6.577 1.00 0.98 C ATOM 581 C LYS A 39 -1.327 10.060 7.072 1.00 0.94 C ATOM 582 O LYS A 39 -2.116 9.139 7.098 1.00 0.97 O ATOM 583 CB LYS A 39 1.124 9.748 7.772 1.00 1.16 C ATOM 584 CG LYS A 39 0.376 9.515 9.085 1.00 2.78 C ATOM 585 CD LYS A 39 1.391 9.249 10.198 1.00 2.81 C ATOM 586 CE LYS A 39 0.739 9.548 11.552 1.00 4.62 C ATOM 587 NZ LYS A 39 1.703 9.303 12.663 1.00 4.80 N ATOM 0 H LYS A 39 1.146 11.618 6.029 1.00 0.85 H new ATOM 0 HA LYS A 39 0.122 8.864 6.054 1.00 0.98 H new ATOM 0 HB2 LYS A 39 1.840 8.943 7.608 1.00 1.16 H new ATOM 0 HB3 LYS A 39 1.695 10.674 7.832 1.00 1.16 H new ATOM 0 HG2 LYS A 39 -0.232 10.385 9.331 1.00 2.78 H new ATOM 0 HG3 LYS A 39 -0.304 8.669 8.986 1.00 2.78 H new ATOM 0 HD2 LYS A 39 1.725 8.212 10.162 1.00 2.81 H new ATOM 0 HD3 LYS A 39 2.274 9.873 10.059 1.00 2.81 H new ATOM 0 HE2 LYS A 39 0.401 10.584 11.578 1.00 4.62 H new ATOM 0 HE3 LYS A 39 -0.143 8.921 11.684 1.00 4.62 H new ATOM 0 HZ1 LYS A 39 1.244 9.511 13.573 1.00 4.80 H new ATOM 0 HZ2 LYS A 39 2.006 8.308 12.647 1.00 4.80 H new ATOM 0 HZ3 LYS A 39 2.533 9.919 12.545 1.00 4.80 H new ATOM 601 N PRO A 40 -1.668 11.289 7.455 1.00 0.95 N ATOM 602 CA PRO A 40 -3.024 11.571 7.950 1.00 0.95 C ATOM 603 C PRO A 40 -4.062 11.311 6.855 1.00 0.82 C ATOM 604 O PRO A 40 -5.251 11.395 7.091 1.00 0.83 O ATOM 605 CB PRO A 40 -3.017 13.052 8.343 1.00 1.07 C ATOM 606 CG PRO A 40 -1.589 13.603 8.050 1.00 1.18 C ATOM 607 CD PRO A 40 -0.774 12.462 7.417 1.00 1.04 C ATOM 0 HA PRO A 40 -3.287 10.931 8.792 1.00 0.95 H new ATOM 0 HB2 PRO A 40 -3.766 13.604 7.775 1.00 1.07 H new ATOM 0 HB3 PRO A 40 -3.266 13.171 9.398 1.00 1.07 H new ATOM 0 HG2 PRO A 40 -1.639 14.458 7.376 1.00 1.18 H new ATOM 0 HG3 PRO A 40 -1.115 13.949 8.969 1.00 1.18 H new ATOM 0 HD2 PRO A 40 -0.484 12.704 6.395 1.00 1.04 H new ATOM 0 HD3 PRO A 40 0.144 12.277 7.974 1.00 1.04 H new ATOM 615 N PHE A 41 -3.583 11.000 5.679 1.00 0.72 N ATOM 616 CA PHE A 41 -4.516 10.733 4.545 1.00 0.64 C ATOM 617 C PHE A 41 -4.583 9.227 4.243 1.00 0.48 C ATOM 618 O PHE A 41 -5.654 8.663 4.143 1.00 0.49 O ATOM 619 CB PHE A 41 -4.016 11.479 3.315 1.00 0.66 C ATOM 620 CG PHE A 41 -3.989 12.982 3.609 1.00 0.63 C ATOM 621 CD1 PHE A 41 -2.942 13.541 4.324 1.00 0.64 C ATOM 622 CD2 PHE A 41 -5.011 13.802 3.165 1.00 0.60 C ATOM 623 CE1 PHE A 41 -2.920 14.896 4.587 1.00 0.63 C ATOM 624 CE2 PHE A 41 -4.987 15.157 3.430 1.00 0.59 C ATOM 625 CZ PHE A 41 -3.942 15.702 4.141 1.00 0.60 C ATOM 0 H PHE A 41 -2.591 10.920 5.455 1.00 0.72 H new ATOM 0 HA PHE A 41 -5.516 11.075 4.813 1.00 0.64 H new ATOM 0 HB2 PHE A 41 -3.018 11.132 3.046 1.00 0.66 H new ATOM 0 HB3 PHE A 41 -4.665 11.275 2.463 1.00 0.66 H new ATOM 0 HD1 PHE A 41 -2.138 12.913 4.678 1.00 0.64 H new ATOM 0 HD2 PHE A 41 -5.834 13.379 2.607 1.00 0.60 H new ATOM 0 HE1 PHE A 41 -2.099 15.324 5.144 1.00 0.63 H new ATOM 0 HE2 PHE A 41 -5.789 15.790 3.079 1.00 0.59 H new ATOM 0 HZ PHE A 41 -3.924 16.762 4.349 1.00 0.60 H new ATOM 635 N PHE A 42 -3.437 8.608 4.099 1.00 0.42 N ATOM 636 CA PHE A 42 -3.425 7.139 3.797 1.00 0.36 C ATOM 637 C PHE A 42 -3.595 6.324 5.083 1.00 0.36 C ATOM 638 O PHE A 42 -4.190 5.264 5.075 1.00 0.33 O ATOM 639 CB PHE A 42 -2.091 6.763 3.142 1.00 0.44 C ATOM 640 CG PHE A 42 -2.122 5.278 2.754 1.00 0.34 C ATOM 641 CD1 PHE A 42 -2.957 4.837 1.742 1.00 0.33 C ATOM 642 CD2 PHE A 42 -1.316 4.355 3.409 1.00 0.30 C ATOM 643 CE1 PHE A 42 -2.989 3.501 1.393 1.00 0.33 C ATOM 644 CE2 PHE A 42 -1.353 3.022 3.057 1.00 0.31 C ATOM 645 CZ PHE A 42 -2.189 2.596 2.050 1.00 0.35 C ATOM 0 H PHE A 42 -2.520 9.047 4.176 1.00 0.42 H new ATOM 0 HA PHE A 42 -4.251 6.917 3.122 1.00 0.36 H new ATOM 0 HB2 PHE A 42 -1.919 7.379 2.259 1.00 0.44 H new ATOM 0 HB3 PHE A 42 -1.267 6.955 3.830 1.00 0.44 H new ATOM 0 HD1 PHE A 42 -3.588 5.542 1.222 1.00 0.33 H new ATOM 0 HD2 PHE A 42 -0.656 4.683 4.199 1.00 0.30 H new ATOM 0 HE1 PHE A 42 -3.644 3.166 0.602 1.00 0.33 H new ATOM 0 HE2 PHE A 42 -0.725 2.311 3.573 1.00 0.31 H new ATOM 0 HZ PHE A 42 -2.217 1.552 1.776 1.00 0.35 H new ATOM 655 N HIS A 43 -3.068 6.835 6.156 1.00 0.39 N ATOM 656 CA HIS A 43 -3.176 6.098 7.449 1.00 0.38 C ATOM 657 C HIS A 43 -4.517 6.407 8.123 1.00 0.38 C ATOM 658 O HIS A 43 -4.878 5.793 9.107 1.00 0.43 O ATOM 659 CB HIS A 43 -2.037 6.546 8.358 1.00 0.42 C ATOM 660 CG HIS A 43 -1.853 5.537 9.488 1.00 0.40 C ATOM 661 ND1 HIS A 43 -2.705 4.688 9.839 1.00 0.39 N ATOM 662 CD2 HIS A 43 -0.769 5.336 10.324 1.00 0.41 C ATOM 663 CE1 HIS A 43 -2.280 3.975 10.799 1.00 0.38 C ATOM 664 NE2 HIS A 43 -1.049 4.318 11.179 1.00 0.41 N ATOM 0 H HIS A 43 -2.570 7.724 6.198 1.00 0.39 H new ATOM 0 HA HIS A 43 -3.116 5.025 7.265 1.00 0.38 H new ATOM 0 HB2 HIS A 43 -1.115 6.636 7.784 1.00 0.42 H new ATOM 0 HB3 HIS A 43 -2.254 7.532 8.770 1.00 0.42 H new ATOM 0 HD1 HIS A 43 -3.623 4.583 9.408 1.00 0.39 H new ATOM 0 HD2 HIS A 43 0.153 5.899 10.301 1.00 0.41 H new ATOM 0 HE1 HIS A 43 -2.851 3.180 11.256 1.00 0.38 H new ATOM 672 N SER A 44 -5.228 7.354 7.578 1.00 0.36 N ATOM 673 CA SER A 44 -6.545 7.719 8.179 1.00 0.37 C ATOM 674 C SER A 44 -7.663 6.869 7.569 1.00 0.32 C ATOM 675 O SER A 44 -8.792 6.911 8.016 1.00 0.28 O ATOM 676 CB SER A 44 -6.822 9.197 7.912 1.00 0.39 C ATOM 677 OG SER A 44 -5.927 9.877 8.779 1.00 1.43 O ATOM 0 H SER A 44 -4.960 7.887 6.751 1.00 0.36 H new ATOM 0 HA SER A 44 -6.513 7.534 9.253 1.00 0.37 H new ATOM 0 HB2 SER A 44 -6.640 9.455 6.869 1.00 0.39 H new ATOM 0 HB3 SER A 44 -7.859 9.454 8.128 1.00 0.39 H new ATOM 0 HG SER A 44 -5.756 10.778 8.432 1.00 1.43 H new ATOM 683 N LEU A 45 -7.325 6.116 6.561 1.00 0.38 N ATOM 684 CA LEU A 45 -8.357 5.255 5.913 1.00 0.34 C ATOM 685 C LEU A 45 -8.572 3.985 6.738 1.00 0.35 C ATOM 686 O LEU A 45 -9.492 3.230 6.494 1.00 0.33 O ATOM 687 CB LEU A 45 -7.886 4.878 4.510 1.00 0.33 C ATOM 688 CG LEU A 45 -7.336 6.124 3.817 1.00 0.42 C ATOM 689 CD1 LEU A 45 -6.977 5.781 2.370 1.00 0.31 C ATOM 690 CD2 LEU A 45 -8.405 7.220 3.826 1.00 0.54 C ATOM 0 H LEU A 45 -6.389 6.058 6.159 1.00 0.38 H new ATOM 0 HA LEU A 45 -9.298 5.802 5.853 1.00 0.34 H new ATOM 0 HB2 LEU A 45 -7.117 4.108 4.566 1.00 0.33 H new ATOM 0 HB3 LEU A 45 -8.713 4.462 3.935 1.00 0.33 H new ATOM 0 HG LEU A 45 -6.447 6.473 4.342 1.00 0.42 H new ATOM 0 HD11 LEU A 45 -6.584 6.668 1.873 1.00 0.31 H new ATOM 0 HD12 LEU A 45 -6.222 4.995 2.359 1.00 0.31 H new ATOM 0 HD13 LEU A 45 -7.868 5.436 1.846 1.00 0.31 H new ATOM 0 HD21 LEU A 45 -8.017 8.111 3.333 1.00 0.54 H new ATOM 0 HD22 LEU A 45 -9.291 6.869 3.297 1.00 0.54 H new ATOM 0 HD23 LEU A 45 -8.670 7.462 4.855 1.00 0.54 H new ATOM 702 N SER A 46 -7.715 3.777 7.700 1.00 0.37 N ATOM 703 CA SER A 46 -7.853 2.561 8.552 1.00 0.38 C ATOM 704 C SER A 46 -9.237 2.528 9.212 1.00 0.38 C ATOM 705 O SER A 46 -9.771 1.473 9.486 1.00 0.40 O ATOM 706 CB SER A 46 -6.774 2.584 9.634 1.00 0.43 C ATOM 707 OG SER A 46 -7.418 2.039 10.776 1.00 1.04 O ATOM 0 H SER A 46 -6.933 4.389 7.932 1.00 0.37 H new ATOM 0 HA SER A 46 -7.739 1.673 7.930 1.00 0.38 H new ATOM 0 HB2 SER A 46 -5.906 1.991 9.345 1.00 0.43 H new ATOM 0 HB3 SER A 46 -6.419 3.597 9.822 1.00 0.43 H new ATOM 0 HG SER A 46 -6.788 2.015 11.527 1.00 1.04 H new ATOM 713 N GLU A 47 -9.786 3.692 9.449 1.00 0.35 N ATOM 714 CA GLU A 47 -11.132 3.752 10.096 1.00 0.36 C ATOM 715 C GLU A 47 -12.226 3.961 9.041 1.00 0.36 C ATOM 716 O GLU A 47 -13.256 3.317 9.077 1.00 0.42 O ATOM 717 CB GLU A 47 -11.156 4.912 11.090 1.00 0.36 C ATOM 718 CG GLU A 47 -10.152 4.633 12.211 1.00 0.23 C ATOM 719 CD GLU A 47 -10.130 5.820 13.177 1.00 0.87 C ATOM 720 OE1 GLU A 47 -11.203 6.356 13.401 1.00 1.78 O ATOM 721 OE2 GLU A 47 -9.040 6.124 13.635 1.00 1.80 O ATOM 0 H GLU A 47 -9.366 4.594 9.226 1.00 0.35 H new ATOM 0 HA GLU A 47 -11.321 2.811 10.613 1.00 0.36 H new ATOM 0 HB2 GLU A 47 -10.906 5.845 10.585 1.00 0.36 H new ATOM 0 HB3 GLU A 47 -12.157 5.032 11.504 1.00 0.36 H new ATOM 0 HG2 GLU A 47 -10.427 3.722 12.742 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -9.158 4.471 11.793 1.00 0.23 H new ATOM 728 N LYS A 48 -11.980 4.858 8.126 1.00 0.32 N ATOM 729 CA LYS A 48 -12.998 5.121 7.067 1.00 0.33 C ATOM 730 C LYS A 48 -13.291 3.841 6.279 1.00 0.31 C ATOM 731 O LYS A 48 -14.365 3.281 6.376 1.00 0.42 O ATOM 732 CB LYS A 48 -12.478 6.191 6.122 1.00 0.29 C ATOM 733 CG LYS A 48 -13.659 6.783 5.355 1.00 0.60 C ATOM 734 CD LYS A 48 -14.084 8.097 6.017 1.00 0.54 C ATOM 735 CE LYS A 48 -15.380 8.589 5.367 1.00 0.95 C ATOM 736 NZ LYS A 48 -16.543 7.794 5.856 1.00 2.56 N ATOM 0 H LYS A 48 -11.128 5.415 8.064 1.00 0.32 H new ATOM 0 HA LYS A 48 -13.920 5.461 7.539 1.00 0.33 H new ATOM 0 HB2 LYS A 48 -11.962 6.971 6.682 1.00 0.29 H new ATOM 0 HB3 LYS A 48 -11.753 5.763 5.429 1.00 0.29 H new ATOM 0 HG2 LYS A 48 -13.381 6.959 4.316 1.00 0.60 H new ATOM 0 HG3 LYS A 48 -14.492 6.080 5.348 1.00 0.60 H new ATOM 0 HD2 LYS A 48 -14.233 7.948 7.087 1.00 0.54 H new ATOM 0 HD3 LYS A 48 -13.299 8.845 5.905 1.00 0.54 H new ATOM 0 HE2 LYS A 48 -15.531 9.644 5.596 1.00 0.95 H new ATOM 0 HE3 LYS A 48 -15.305 8.505 4.283 1.00 0.95 H new ATOM 0 HZ1 LYS A 48 -17.427 8.261 5.571 1.00 2.56 H new ATOM 0 HZ2 LYS A 48 -16.508 6.839 5.446 1.00 2.56 H new ATOM 0 HZ3 LYS A 48 -16.506 7.727 6.893 1.00 2.56 H new ATOM 750 N TYR A 49 -12.329 3.406 5.512 1.00 0.19 N ATOM 751 CA TYR A 49 -12.539 2.165 4.711 1.00 0.26 C ATOM 752 C TYR A 49 -12.107 0.936 5.517 1.00 0.37 C ATOM 753 O TYR A 49 -11.018 0.425 5.339 1.00 0.53 O ATOM 754 CB TYR A 49 -11.711 2.252 3.430 1.00 0.19 C ATOM 755 CG TYR A 49 -12.327 3.301 2.501 1.00 0.20 C ATOM 756 CD1 TYR A 49 -13.385 2.975 1.678 1.00 0.30 C ATOM 757 CD2 TYR A 49 -11.832 4.588 2.474 1.00 0.31 C ATOM 758 CE1 TYR A 49 -13.940 3.921 0.841 1.00 0.44 C ATOM 759 CE2 TYR A 49 -12.386 5.536 1.637 1.00 0.48 C ATOM 760 CZ TYR A 49 -13.446 5.209 0.815 1.00 0.53 C ATOM 761 OH TYR A 49 -14.001 6.156 -0.021 1.00 0.72 O ATOM 0 H TYR A 49 -11.417 3.849 5.405 1.00 0.19 H new ATOM 0 HA TYR A 49 -13.597 2.070 4.465 1.00 0.26 H new ATOM 0 HB2 TYR A 49 -10.681 2.519 3.666 1.00 0.19 H new ATOM 0 HB3 TYR A 49 -11.683 1.282 2.934 1.00 0.19 H new ATOM 0 HD1 TYR A 49 -13.782 1.971 1.689 1.00 0.30 H new ATOM 0 HD2 TYR A 49 -11.004 4.857 3.113 1.00 0.31 H new ATOM 0 HE1 TYR A 49 -14.767 3.651 0.201 1.00 0.44 H new ATOM 0 HE2 TYR A 49 -11.988 6.540 1.625 1.00 0.48 H new ATOM 0 HH TYR A 49 -13.530 7.008 0.092 1.00 0.72 H new ATOM 771 N SER A 50 -12.970 0.487 6.387 1.00 0.42 N ATOM 772 CA SER A 50 -12.626 -0.707 7.212 1.00 0.54 C ATOM 773 C SER A 50 -12.806 -1.983 6.387 1.00 0.57 C ATOM 774 O SER A 50 -12.435 -3.060 6.811 1.00 0.67 O ATOM 775 CB SER A 50 -13.546 -0.757 8.431 1.00 0.63 C ATOM 776 OG SER A 50 -14.813 -1.105 7.895 1.00 0.75 O ATOM 0 H SER A 50 -13.890 0.890 6.562 1.00 0.42 H new ATOM 0 HA SER A 50 -11.587 -0.635 7.534 1.00 0.54 H new ATOM 0 HB2 SER A 50 -13.205 -1.494 9.158 1.00 0.63 H new ATOM 0 HB3 SER A 50 -13.581 0.204 8.944 1.00 0.63 H new ATOM 0 HG SER A 50 -15.471 -1.161 8.620 1.00 0.75 H new ATOM 782 N ASN A 51 -13.371 -1.833 5.222 1.00 0.49 N ATOM 783 CA ASN A 51 -13.587 -3.024 4.353 1.00 0.51 C ATOM 784 C ASN A 51 -12.356 -3.265 3.475 1.00 0.56 C ATOM 785 O ASN A 51 -12.120 -4.367 3.021 1.00 1.00 O ATOM 786 CB ASN A 51 -14.805 -2.781 3.464 1.00 0.54 C ATOM 787 CG ASN A 51 -15.188 -4.085 2.763 1.00 0.58 C ATOM 788 OD1 ASN A 51 -14.393 -4.996 2.642 1.00 1.49 O ATOM 789 ND2 ASN A 51 -16.396 -4.216 2.285 1.00 0.47 N ATOM 0 H ASN A 51 -13.691 -0.945 4.836 1.00 0.49 H new ATOM 0 HA ASN A 51 -13.753 -3.901 4.979 1.00 0.51 H new ATOM 0 HB2 ASN A 51 -15.640 -2.418 4.063 1.00 0.54 H new ATOM 0 HB3 ASN A 51 -14.583 -2.010 2.726 1.00 0.54 H new ATOM 0 HD21 ASN A 51 -16.667 -5.079 1.814 1.00 0.47 H new ATOM 0 HD22 ASN A 51 -17.069 -3.455 2.383 1.00 0.47 H new ATOM 796 N VAL A 52 -11.597 -2.224 3.256 1.00 0.42 N ATOM 797 CA VAL A 52 -10.377 -2.370 2.410 1.00 0.43 C ATOM 798 C VAL A 52 -9.136 -2.504 3.290 1.00 0.43 C ATOM 799 O VAL A 52 -9.002 -1.825 4.289 1.00 0.61 O ATOM 800 CB VAL A 52 -10.232 -1.136 1.521 1.00 0.43 C ATOM 801 CG1 VAL A 52 -9.146 -1.392 0.475 1.00 0.43 C ATOM 802 CG2 VAL A 52 -11.560 -0.867 0.813 1.00 0.39 C ATOM 0 H VAL A 52 -11.767 -1.287 3.622 1.00 0.42 H new ATOM 0 HA VAL A 52 -10.475 -3.265 1.796 1.00 0.43 H new ATOM 0 HB VAL A 52 -9.959 -0.274 2.130 1.00 0.43 H new ATOM 0 HG11 VAL A 52 -9.040 -0.514 -0.161 1.00 0.43 H new ATOM 0 HG12 VAL A 52 -8.199 -1.594 0.976 1.00 0.43 H new ATOM 0 HG13 VAL A 52 -9.424 -2.251 -0.136 1.00 0.43 H new ATOM 0 HG21 VAL A 52 -11.462 0.013 0.177 1.00 0.39 H new ATOM 0 HG22 VAL A 52 -11.827 -1.729 0.201 1.00 0.39 H new ATOM 0 HG23 VAL A 52 -12.339 -0.693 1.555 1.00 0.39 H new ATOM 812 N ILE A 53 -8.252 -3.378 2.901 1.00 0.25 N ATOM 813 CA ILE A 53 -7.013 -3.566 3.704 1.00 0.23 C ATOM 814 C ILE A 53 -5.915 -2.623 3.205 1.00 0.23 C ATOM 815 O ILE A 53 -5.813 -2.355 2.020 1.00 0.23 O ATOM 816 CB ILE A 53 -6.537 -5.010 3.580 1.00 0.26 C ATOM 817 CG1 ILE A 53 -7.546 -5.939 4.273 1.00 0.31 C ATOM 818 CG2 ILE A 53 -5.178 -5.138 4.265 1.00 0.38 C ATOM 819 CD1 ILE A 53 -8.884 -5.907 3.521 1.00 0.98 C ATOM 0 H ILE A 53 -8.332 -3.965 2.071 1.00 0.25 H new ATOM 0 HA ILE A 53 -7.230 -3.341 4.748 1.00 0.23 H new ATOM 0 HB ILE A 53 -6.453 -5.287 2.529 1.00 0.26 H new ATOM 0 HG12 ILE A 53 -7.158 -6.957 4.300 1.00 0.31 H new ATOM 0 HG13 ILE A 53 -7.692 -5.626 5.307 1.00 0.31 H new ATOM 0 HG21 ILE A 53 -4.825 -6.166 4.184 1.00 0.38 H new ATOM 0 HG22 ILE A 53 -4.464 -4.470 3.784 1.00 0.38 H new ATOM 0 HG23 ILE A 53 -5.274 -4.869 5.317 1.00 0.38 H new ATOM 0 HD11 ILE A 53 -9.596 -6.567 4.016 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -9.275 -4.890 3.517 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -8.733 -6.241 2.495 1.00 0.98 H new ATOM 831 N PHE A 54 -5.112 -2.152 4.124 1.00 0.23 N ATOM 832 CA PHE A 54 -4.016 -1.212 3.743 1.00 0.23 C ATOM 833 C PHE A 54 -2.675 -1.680 4.320 1.00 0.23 C ATOM 834 O PHE A 54 -2.611 -2.168 5.430 1.00 0.22 O ATOM 835 CB PHE A 54 -4.348 0.168 4.303 1.00 0.23 C ATOM 836 CG PHE A 54 -5.639 0.674 3.656 1.00 0.26 C ATOM 837 CD1 PHE A 54 -5.603 1.350 2.448 1.00 0.31 C ATOM 838 CD2 PHE A 54 -6.863 0.461 4.271 1.00 0.25 C ATOM 839 CE1 PHE A 54 -6.769 1.804 1.866 1.00 0.34 C ATOM 840 CE2 PHE A 54 -8.027 0.917 3.686 1.00 0.30 C ATOM 841 CZ PHE A 54 -7.979 1.588 2.486 1.00 0.34 C ATOM 0 H PHE A 54 -5.167 -2.376 5.117 1.00 0.23 H new ATOM 0 HA PHE A 54 -3.932 -1.179 2.657 1.00 0.23 H new ATOM 0 HB2 PHE A 54 -4.465 0.116 5.385 1.00 0.23 H new ATOM 0 HB3 PHE A 54 -3.531 0.861 4.104 1.00 0.23 H new ATOM 0 HD1 PHE A 54 -4.656 1.523 1.958 1.00 0.31 H new ATOM 0 HD2 PHE A 54 -6.906 -0.065 5.213 1.00 0.25 H new ATOM 0 HE1 PHE A 54 -6.732 2.329 0.923 1.00 0.34 H new ATOM 0 HE2 PHE A 54 -8.977 0.747 4.171 1.00 0.30 H new ATOM 0 HZ PHE A 54 -8.891 1.945 2.030 1.00 0.34 H new ATOM 851 N LEU A 55 -1.636 -1.529 3.540 1.00 0.29 N ATOM 852 CA LEU A 55 -0.278 -1.932 4.016 1.00 0.30 C ATOM 853 C LEU A 55 0.707 -0.781 3.788 1.00 0.30 C ATOM 854 O LEU A 55 0.473 0.088 2.971 1.00 0.33 O ATOM 855 CB LEU A 55 0.205 -3.167 3.246 1.00 0.26 C ATOM 856 CG LEU A 55 -0.981 -4.117 2.984 1.00 0.30 C ATOM 857 CD1 LEU A 55 -1.848 -3.588 1.837 1.00 0.65 C ATOM 858 CD2 LEU A 55 -0.442 -5.487 2.586 1.00 0.16 C ATOM 0 H LEU A 55 -1.668 -1.145 2.596 1.00 0.29 H new ATOM 0 HA LEU A 55 -0.332 -2.168 5.079 1.00 0.30 H new ATOM 0 HB2 LEU A 55 0.656 -2.864 2.301 1.00 0.26 H new ATOM 0 HB3 LEU A 55 0.977 -3.683 3.816 1.00 0.26 H new ATOM 0 HG LEU A 55 -1.582 -4.185 3.891 1.00 0.30 H new ATOM 0 HD11 LEU A 55 -2.680 -4.271 1.665 1.00 0.65 H new ATOM 0 HD12 LEU A 55 -2.234 -2.603 2.098 1.00 0.65 H new ATOM 0 HD13 LEU A 55 -1.247 -3.514 0.931 1.00 0.65 H new ATOM 0 HD21 LEU A 55 -1.275 -6.165 2.399 1.00 0.16 H new ATOM 0 HD22 LEU A 55 0.160 -5.393 1.682 1.00 0.16 H new ATOM 0 HD23 LEU A 55 0.175 -5.884 3.392 1.00 0.16 H new ATOM 870 N GLU A 56 1.785 -0.807 4.516 1.00 0.30 N ATOM 871 CA GLU A 56 2.809 0.272 4.371 1.00 0.30 C ATOM 872 C GLU A 56 4.204 -0.356 4.332 1.00 0.30 C ATOM 873 O GLU A 56 4.687 -0.849 5.333 1.00 0.37 O ATOM 874 CB GLU A 56 2.708 1.219 5.564 1.00 0.33 C ATOM 875 CG GLU A 56 3.256 2.590 5.163 1.00 0.51 C ATOM 876 CD GLU A 56 3.382 3.468 6.410 1.00 0.72 C ATOM 877 OE1 GLU A 56 2.406 3.512 7.141 1.00 1.31 O ATOM 878 OE2 GLU A 56 4.445 4.046 6.559 1.00 1.33 O ATOM 0 H GLU A 56 2.005 -1.526 5.205 1.00 0.30 H new ATOM 0 HA GLU A 56 2.636 0.826 3.448 1.00 0.30 H new ATOM 0 HB2 GLU A 56 1.671 1.308 5.886 1.00 0.33 H new ATOM 0 HB3 GLU A 56 3.271 0.821 6.408 1.00 0.33 H new ATOM 0 HG2 GLU A 56 4.228 2.480 4.682 1.00 0.51 H new ATOM 0 HG3 GLU A 56 2.593 3.062 4.438 1.00 0.51 H new ATOM 885 N VAL A 57 4.826 -0.323 3.182 1.00 0.24 N ATOM 886 CA VAL A 57 6.186 -0.939 3.072 1.00 0.24 C ATOM 887 C VAL A 57 7.279 0.127 3.154 1.00 0.24 C ATOM 888 O VAL A 57 7.168 1.188 2.568 1.00 0.24 O ATOM 889 CB VAL A 57 6.305 -1.673 1.738 1.00 0.23 C ATOM 890 CG1 VAL A 57 7.617 -2.461 1.718 1.00 0.34 C ATOM 891 CG2 VAL A 57 5.135 -2.642 1.586 1.00 0.24 C ATOM 0 H VAL A 57 4.461 0.096 2.327 1.00 0.24 H new ATOM 0 HA VAL A 57 6.314 -1.636 3.900 1.00 0.24 H new ATOM 0 HB VAL A 57 6.291 -0.953 0.919 1.00 0.23 H new ATOM 0 HG11 VAL A 57 7.710 -2.988 0.769 1.00 0.34 H new ATOM 0 HG12 VAL A 57 8.456 -1.775 1.836 1.00 0.34 H new ATOM 0 HG13 VAL A 57 7.621 -3.182 2.535 1.00 0.34 H new ATOM 0 HG21 VAL A 57 5.218 -3.167 0.634 1.00 0.24 H new ATOM 0 HG22 VAL A 57 5.153 -3.365 2.402 1.00 0.24 H new ATOM 0 HG23 VAL A 57 4.197 -2.087 1.613 1.00 0.24 H new ATOM 901 N ASP A 58 8.314 -0.190 3.883 1.00 0.26 N ATOM 902 CA ASP A 58 9.448 0.766 4.016 1.00 0.27 C ATOM 903 C ASP A 58 10.592 0.320 3.102 1.00 0.24 C ATOM 904 O ASP A 58 11.200 -0.708 3.322 1.00 0.24 O ATOM 905 CB ASP A 58 9.926 0.776 5.467 1.00 0.32 C ATOM 906 CG ASP A 58 10.838 1.985 5.692 1.00 0.35 C ATOM 907 OD1 ASP A 58 11.268 2.532 4.691 1.00 1.38 O ATOM 908 OD2 ASP A 58 11.052 2.291 6.853 1.00 1.09 O ATOM 0 H ASP A 58 8.423 -1.068 4.391 1.00 0.26 H new ATOM 0 HA ASP A 58 9.125 1.767 3.731 1.00 0.27 H new ATOM 0 HB2 ASP A 58 9.072 0.820 6.143 1.00 0.32 H new ATOM 0 HB3 ASP A 58 10.463 -0.146 5.691 1.00 0.32 H new ATOM 913 N VAL A 59 10.862 1.100 2.095 1.00 0.27 N ATOM 914 CA VAL A 59 11.954 0.722 1.146 1.00 0.31 C ATOM 915 C VAL A 59 13.334 0.840 1.817 1.00 0.32 C ATOM 916 O VAL A 59 14.341 0.946 1.146 1.00 0.42 O ATOM 917 CB VAL A 59 11.900 1.646 -0.067 1.00 0.41 C ATOM 918 CG1 VAL A 59 10.631 1.348 -0.870 1.00 0.51 C ATOM 919 CG2 VAL A 59 11.867 3.102 0.406 1.00 0.37 C ATOM 0 H VAL A 59 10.382 1.975 1.885 1.00 0.27 H new ATOM 0 HA VAL A 59 11.809 -0.314 0.841 1.00 0.31 H new ATOM 0 HB VAL A 59 12.778 1.484 -0.692 1.00 0.41 H new ATOM 0 HG11 VAL A 59 10.587 2.006 -1.738 1.00 0.51 H new ATOM 0 HG12 VAL A 59 10.646 0.310 -1.201 1.00 0.51 H new ATOM 0 HG13 VAL A 59 9.756 1.516 -0.243 1.00 0.51 H new ATOM 0 HG21 VAL A 59 11.828 3.765 -0.459 1.00 0.37 H new ATOM 0 HG22 VAL A 59 10.985 3.263 1.026 1.00 0.37 H new ATOM 0 HG23 VAL A 59 12.764 3.316 0.987 1.00 0.37 H new ATOM 929 N ASP A 60 13.352 0.817 3.125 1.00 0.24 N ATOM 930 CA ASP A 60 14.658 0.924 3.841 1.00 0.24 C ATOM 931 C ASP A 60 15.181 -0.472 4.200 1.00 0.43 C ATOM 932 O ASP A 60 16.303 -0.815 3.882 1.00 0.51 O ATOM 933 CB ASP A 60 14.464 1.739 5.118 1.00 0.35 C ATOM 934 CG ASP A 60 15.773 1.759 5.908 1.00 0.68 C ATOM 935 OD1 ASP A 60 16.745 2.222 5.334 1.00 0.82 O ATOM 936 OD2 ASP A 60 15.729 1.310 7.042 1.00 2.08 O ATOM 0 H ASP A 60 12.530 0.730 3.722 1.00 0.24 H new ATOM 0 HA ASP A 60 15.383 1.416 3.193 1.00 0.24 H new ATOM 0 HB2 ASP A 60 14.159 2.756 4.871 1.00 0.35 H new ATOM 0 HB3 ASP A 60 13.667 1.305 5.723 1.00 0.35 H new ATOM 941 N ASP A 61 14.350 -1.244 4.855 1.00 0.57 N ATOM 942 CA ASP A 61 14.773 -2.625 5.253 1.00 0.79 C ATOM 943 C ASP A 61 14.029 -3.673 4.418 1.00 0.70 C ATOM 944 O ASP A 61 14.459 -4.803 4.312 1.00 1.01 O ATOM 945 CB ASP A 61 14.452 -2.837 6.731 1.00 1.02 C ATOM 946 CG ASP A 61 14.647 -4.314 7.084 1.00 1.21 C ATOM 947 OD1 ASP A 61 15.793 -4.731 7.052 1.00 2.42 O ATOM 948 OD2 ASP A 61 13.638 -4.941 7.361 1.00 1.09 O ATOM 0 H ASP A 61 13.404 -0.982 5.130 1.00 0.57 H new ATOM 0 HA ASP A 61 15.844 -2.734 5.081 1.00 0.79 H new ATOM 0 HB2 ASP A 61 15.100 -2.215 7.349 1.00 1.02 H new ATOM 0 HB3 ASP A 61 13.426 -2.534 6.939 1.00 1.02 H new ATOM 953 N CYS A 62 12.927 -3.273 3.844 1.00 0.32 N ATOM 954 CA CYS A 62 12.141 -4.235 3.016 1.00 0.21 C ATOM 955 C CYS A 62 12.506 -4.080 1.536 1.00 0.27 C ATOM 956 O CYS A 62 11.679 -4.271 0.667 1.00 0.28 O ATOM 957 CB CYS A 62 10.651 -3.959 3.206 1.00 0.20 C ATOM 958 SG CYS A 62 10.117 -3.366 4.831 1.00 0.32 S ATOM 0 H CYS A 62 12.539 -2.332 3.910 1.00 0.32 H new ATOM 0 HA CYS A 62 12.373 -5.252 3.331 1.00 0.21 H new ATOM 0 HB2 CYS A 62 10.347 -3.223 2.462 1.00 0.20 H new ATOM 0 HB3 CYS A 62 10.107 -4.878 2.987 1.00 0.20 H new ATOM 0 HG CYS A 62 10.121 -2.066 4.841 1.00 0.32 H new ATOM 964 N GLN A 63 13.737 -3.734 1.285 1.00 0.31 N ATOM 965 CA GLN A 63 14.175 -3.559 -0.127 1.00 0.37 C ATOM 966 C GLN A 63 13.859 -4.816 -0.939 1.00 0.33 C ATOM 967 O GLN A 63 13.805 -4.779 -2.152 1.00 0.32 O ATOM 968 CB GLN A 63 15.680 -3.298 -0.155 1.00 0.48 C ATOM 969 CG GLN A 63 15.955 -1.886 0.364 1.00 0.50 C ATOM 970 CD GLN A 63 16.300 -0.972 -0.814 1.00 1.97 C ATOM 971 OE1 GLN A 63 17.336 -1.107 -1.435 1.00 2.17 O ATOM 972 NE2 GLN A 63 15.461 -0.034 -1.154 1.00 3.44 N ATOM 0 H GLN A 63 14.454 -3.566 1.991 1.00 0.31 H new ATOM 0 HA GLN A 63 13.643 -2.715 -0.566 1.00 0.37 H new ATOM 0 HB2 GLN A 63 16.200 -4.032 0.460 1.00 0.48 H new ATOM 0 HB3 GLN A 63 16.061 -3.406 -1.171 1.00 0.48 H new ATOM 0 HG2 GLN A 63 15.081 -1.504 0.892 1.00 0.50 H new ATOM 0 HG3 GLN A 63 16.777 -1.903 1.079 1.00 0.50 H new ATOM 0 HE21 GLN A 63 14.590 0.084 -0.636 1.00 3.44 H new ATOM 0 HE22 GLN A 63 15.675 0.582 -1.938 1.00 3.44 H new ATOM 981 N ASP A 64 13.655 -5.900 -0.250 1.00 0.30 N ATOM 982 CA ASP A 64 13.343 -7.170 -0.957 1.00 0.29 C ATOM 983 C ASP A 64 11.954 -7.097 -1.583 1.00 0.23 C ATOM 984 O ASP A 64 11.778 -7.359 -2.757 1.00 0.16 O ATOM 985 CB ASP A 64 13.395 -8.328 0.039 1.00 0.27 C ATOM 986 CG ASP A 64 12.658 -7.929 1.320 1.00 0.20 C ATOM 987 OD1 ASP A 64 13.224 -7.124 2.041 1.00 1.37 O ATOM 988 OD2 ASP A 64 11.572 -8.452 1.505 1.00 1.49 O ATOM 0 H ASP A 64 13.690 -5.963 0.767 1.00 0.30 H new ATOM 0 HA ASP A 64 14.077 -7.329 -1.747 1.00 0.29 H new ATOM 0 HB2 ASP A 64 12.937 -9.217 -0.395 1.00 0.27 H new ATOM 0 HB3 ASP A 64 14.431 -8.581 0.266 1.00 0.27 H new ATOM 993 N VAL A 65 11.000 -6.741 -0.784 1.00 0.29 N ATOM 994 CA VAL A 65 9.610 -6.638 -1.295 1.00 0.27 C ATOM 995 C VAL A 65 9.529 -5.584 -2.395 1.00 0.30 C ATOM 996 O VAL A 65 8.871 -5.776 -3.399 1.00 0.34 O ATOM 997 CB VAL A 65 8.690 -6.256 -0.153 1.00 0.19 C ATOM 998 CG1 VAL A 65 7.244 -6.561 -0.545 1.00 0.27 C ATOM 999 CG2 VAL A 65 9.061 -7.071 1.088 1.00 0.20 C ATOM 0 H VAL A 65 11.119 -6.516 0.204 1.00 0.29 H new ATOM 0 HA VAL A 65 9.306 -7.599 -1.710 1.00 0.27 H new ATOM 0 HB VAL A 65 8.794 -5.193 0.062 1.00 0.19 H new ATOM 0 HG11 VAL A 65 6.579 -6.287 0.274 1.00 0.27 H new ATOM 0 HG12 VAL A 65 6.979 -5.988 -1.434 1.00 0.27 H new ATOM 0 HG13 VAL A 65 7.141 -7.625 -0.756 1.00 0.27 H new ATOM 0 HG21 VAL A 65 8.402 -6.799 1.912 1.00 0.20 H new ATOM 0 HG22 VAL A 65 8.952 -8.134 0.871 1.00 0.20 H new ATOM 0 HG23 VAL A 65 10.094 -6.861 1.366 1.00 0.20 H new ATOM 1009 N ALA A 66 10.199 -4.495 -2.181 1.00 0.30 N ATOM 1010 CA ALA A 66 10.184 -3.416 -3.202 1.00 0.36 C ATOM 1011 C ALA A 66 10.729 -3.951 -4.520 1.00 0.47 C ATOM 1012 O ALA A 66 10.155 -3.746 -5.570 1.00 0.51 O ATOM 1013 CB ALA A 66 11.051 -2.251 -2.720 1.00 0.45 C ATOM 0 H ALA A 66 10.755 -4.303 -1.348 1.00 0.30 H new ATOM 0 HA ALA A 66 9.161 -3.070 -3.352 1.00 0.36 H new ATOM 0 HB1 ALA A 66 11.042 -1.457 -3.467 1.00 0.45 H new ATOM 0 HB2 ALA A 66 10.656 -1.868 -1.779 1.00 0.45 H new ATOM 0 HB3 ALA A 66 12.074 -2.596 -2.570 1.00 0.45 H new ATOM 1019 N SER A 67 11.827 -4.632 -4.431 1.00 0.54 N ATOM 1020 CA SER A 67 12.437 -5.206 -5.657 1.00 0.67 C ATOM 1021 C SER A 67 11.506 -6.266 -6.245 1.00 0.70 C ATOM 1022 O SER A 67 11.705 -6.735 -7.348 1.00 0.84 O ATOM 1023 CB SER A 67 13.777 -5.845 -5.302 1.00 0.73 C ATOM 1024 OG SER A 67 14.172 -6.508 -6.493 1.00 1.82 O ATOM 0 H SER A 67 12.331 -4.818 -3.564 1.00 0.54 H new ATOM 0 HA SER A 67 12.592 -4.415 -6.391 1.00 0.67 H new ATOM 0 HB2 SER A 67 14.509 -5.095 -5.002 1.00 0.73 H new ATOM 0 HB3 SER A 67 13.678 -6.544 -4.471 1.00 0.73 H new ATOM 0 HG SER A 67 13.439 -6.479 -7.142 1.00 1.82 H new ATOM 1030 N GLU A 68 10.506 -6.616 -5.489 1.00 0.58 N ATOM 1031 CA GLU A 68 9.542 -7.636 -5.968 1.00 0.66 C ATOM 1032 C GLU A 68 8.507 -6.977 -6.871 1.00 0.71 C ATOM 1033 O GLU A 68 7.987 -7.587 -7.784 1.00 0.89 O ATOM 1034 CB GLU A 68 8.848 -8.274 -4.766 1.00 0.59 C ATOM 1035 CG GLU A 68 8.470 -9.713 -5.113 1.00 0.73 C ATOM 1036 CD GLU A 68 7.724 -10.340 -3.933 1.00 1.89 C ATOM 1037 OE1 GLU A 68 7.349 -9.575 -3.061 1.00 2.94 O ATOM 1038 OE2 GLU A 68 7.572 -11.551 -3.971 1.00 2.38 O ATOM 0 H GLU A 68 10.316 -6.239 -4.561 1.00 0.58 H new ATOM 0 HA GLU A 68 10.070 -8.404 -6.533 1.00 0.66 H new ATOM 0 HB2 GLU A 68 9.508 -8.257 -3.898 1.00 0.59 H new ATOM 0 HB3 GLU A 68 7.957 -7.705 -4.500 1.00 0.59 H new ATOM 0 HG2 GLU A 68 7.844 -9.731 -6.005 1.00 0.73 H new ATOM 0 HG3 GLU A 68 9.365 -10.291 -5.340 1.00 0.73 H new ATOM 1045 N CYS A 69 8.233 -5.743 -6.590 1.00 0.56 N ATOM 1046 CA CYS A 69 7.244 -4.998 -7.412 1.00 0.60 C ATOM 1047 C CYS A 69 7.980 -4.182 -8.477 1.00 0.64 C ATOM 1048 O CYS A 69 7.371 -3.548 -9.316 1.00 0.69 O ATOM 1049 CB CYS A 69 6.446 -4.063 -6.505 1.00 0.54 C ATOM 1050 SG CYS A 69 5.339 -4.827 -5.295 1.00 0.61 S ATOM 0 H CYS A 69 8.650 -5.213 -5.825 1.00 0.56 H new ATOM 0 HA CYS A 69 6.566 -5.697 -7.902 1.00 0.60 H new ATOM 0 HB2 CYS A 69 7.152 -3.433 -5.965 1.00 0.54 H new ATOM 0 HB3 CYS A 69 5.851 -3.405 -7.138 1.00 0.54 H new ATOM 0 HG CYS A 69 4.106 -4.540 -5.593 1.00 0.61 H new ATOM 1056 N GLU A 70 9.283 -4.220 -8.411 1.00 0.61 N ATOM 1057 CA GLU A 70 10.099 -3.462 -9.403 1.00 0.65 C ATOM 1058 C GLU A 70 9.759 -1.971 -9.354 1.00 0.65 C ATOM 1059 O GLU A 70 9.502 -1.359 -10.372 1.00 0.76 O ATOM 1060 CB GLU A 70 9.818 -4.004 -10.803 1.00 0.74 C ATOM 1061 CG GLU A 70 10.913 -3.519 -11.757 1.00 0.56 C ATOM 1062 CD GLU A 70 10.280 -3.106 -13.087 1.00 1.50 C ATOM 1063 OE1 GLU A 70 9.985 -4.013 -13.850 1.00 1.37 O ATOM 1064 OE2 GLU A 70 10.128 -1.910 -13.267 1.00 2.92 O ATOM 0 H GLU A 70 9.817 -4.741 -7.716 1.00 0.61 H new ATOM 0 HA GLU A 70 11.154 -3.585 -9.160 1.00 0.65 H new ATOM 0 HB2 GLU A 70 9.790 -5.093 -10.786 1.00 0.74 H new ATOM 0 HB3 GLU A 70 8.841 -3.665 -11.148 1.00 0.74 H new ATOM 0 HG2 GLU A 70 11.446 -2.676 -11.318 1.00 0.56 H new ATOM 0 HG3 GLU A 70 11.645 -4.310 -11.920 1.00 0.56 H new ATOM 1071 N VAL A 71 9.761 -1.415 -8.172 1.00 0.52 N ATOM 1072 CA VAL A 71 9.448 0.043 -8.059 1.00 0.51 C ATOM 1073 C VAL A 71 10.569 0.859 -8.704 1.00 0.80 C ATOM 1074 O VAL A 71 11.634 0.343 -8.978 1.00 1.18 O ATOM 1075 CB VAL A 71 9.321 0.430 -6.587 1.00 0.37 C ATOM 1076 CG1 VAL A 71 8.189 1.446 -6.431 1.00 0.51 C ATOM 1077 CG2 VAL A 71 8.991 -0.814 -5.764 1.00 0.64 C ATOM 0 H VAL A 71 9.961 -1.894 -7.294 1.00 0.52 H new ATOM 0 HA VAL A 71 8.507 0.249 -8.570 1.00 0.51 H new ATOM 0 HB VAL A 71 10.259 0.863 -6.240 1.00 0.37 H new ATOM 0 HG11 VAL A 71 8.094 1.726 -5.382 1.00 0.51 H new ATOM 0 HG12 VAL A 71 8.412 2.333 -7.025 1.00 0.51 H new ATOM 0 HG13 VAL A 71 7.254 1.004 -6.775 1.00 0.51 H new ATOM 0 HG21 VAL A 71 8.900 -0.541 -4.713 1.00 0.64 H new ATOM 0 HG22 VAL A 71 8.050 -1.241 -6.111 1.00 0.64 H new ATOM 0 HG23 VAL A 71 9.788 -1.549 -5.880 1.00 0.64 H new ATOM 1087 N LYS A 72 10.308 2.116 -8.933 1.00 0.78 N ATOM 1088 CA LYS A 72 11.353 2.975 -9.564 1.00 1.16 C ATOM 1089 C LYS A 72 11.303 4.394 -8.982 1.00 0.95 C ATOM 1090 O LYS A 72 12.034 5.267 -9.408 1.00 1.04 O ATOM 1091 CB LYS A 72 11.100 3.026 -11.072 1.00 1.64 C ATOM 1092 CG LYS A 72 12.225 3.807 -11.761 1.00 2.08 C ATOM 1093 CD LYS A 72 12.331 3.344 -13.216 1.00 2.70 C ATOM 1094 CE LYS A 72 13.249 4.297 -13.983 1.00 3.43 C ATOM 1095 NZ LYS A 72 13.375 3.866 -15.405 1.00 4.15 N ATOM 0 H LYS A 72 9.428 2.583 -8.714 1.00 0.78 H new ATOM 0 HA LYS A 72 12.339 2.555 -9.362 1.00 1.16 H new ATOM 0 HB2 LYS A 72 11.047 2.015 -11.476 1.00 1.64 H new ATOM 0 HB3 LYS A 72 10.139 3.500 -11.273 1.00 1.64 H new ATOM 0 HG2 LYS A 72 12.021 4.877 -11.720 1.00 2.08 H new ATOM 0 HG3 LYS A 72 13.170 3.642 -11.243 1.00 2.08 H new ATOM 0 HD2 LYS A 72 12.724 2.328 -13.259 1.00 2.70 H new ATOM 0 HD3 LYS A 72 11.343 3.323 -13.676 1.00 2.70 H new ATOM 0 HE2 LYS A 72 12.851 5.311 -13.938 1.00 3.43 H new ATOM 0 HE3 LYS A 72 14.233 4.320 -13.515 1.00 3.43 H new ATOM 0 HZ1 LYS A 72 14.001 4.523 -15.913 1.00 4.15 H new ATOM 0 HZ2 LYS A 72 13.775 2.907 -15.443 1.00 4.15 H new ATOM 0 HZ3 LYS A 72 12.436 3.867 -15.853 1.00 4.15 H new ATOM 1109 N CYS A 73 10.442 4.595 -8.020 1.00 0.69 N ATOM 1110 CA CYS A 73 10.336 5.952 -7.405 1.00 0.55 C ATOM 1111 C CYS A 73 9.260 5.962 -6.320 1.00 0.46 C ATOM 1112 O CYS A 73 8.156 5.501 -6.532 1.00 0.38 O ATOM 1113 CB CYS A 73 9.978 6.967 -8.490 1.00 0.41 C ATOM 1114 SG CYS A 73 8.875 6.415 -9.815 1.00 0.43 S ATOM 0 H CYS A 73 9.814 3.888 -7.637 1.00 0.69 H new ATOM 0 HA CYS A 73 11.292 6.214 -6.951 1.00 0.55 H new ATOM 0 HB2 CYS A 73 9.519 7.829 -8.006 1.00 0.41 H new ATOM 0 HB3 CYS A 73 10.905 7.314 -8.946 1.00 0.41 H new ATOM 0 HG CYS A 73 8.672 7.393 -10.647 1.00 0.43 H new ATOM 1120 N THR A 74 9.608 6.493 -5.179 1.00 0.57 N ATOM 1121 CA THR A 74 8.622 6.551 -4.061 1.00 0.53 C ATOM 1122 C THR A 74 8.035 7.979 -3.965 1.00 0.56 C ATOM 1123 O THR A 74 8.686 8.931 -4.346 1.00 0.62 O ATOM 1124 CB THR A 74 9.351 6.209 -2.754 1.00 0.56 C ATOM 1125 OG1 THR A 74 10.580 6.928 -2.828 1.00 0.63 O ATOM 1126 CG2 THR A 74 9.752 4.738 -2.710 1.00 0.54 C ATOM 0 H THR A 74 10.526 6.887 -4.973 1.00 0.57 H new ATOM 0 HA THR A 74 7.812 5.843 -4.237 1.00 0.53 H new ATOM 0 HB THR A 74 8.716 6.441 -1.899 1.00 0.56 H new ATOM 0 HG1 THR A 74 11.266 6.362 -3.241 1.00 0.63 H new ATOM 0 HG21 THR A 74 10.266 4.529 -1.772 1.00 0.54 H new ATOM 0 HG22 THR A 74 8.860 4.115 -2.782 1.00 0.54 H new ATOM 0 HG23 THR A 74 10.417 4.517 -3.545 1.00 0.54 H new ATOM 1134 N PRO A 75 6.812 8.109 -3.459 1.00 0.52 N ATOM 1135 CA PRO A 75 5.965 6.983 -3.001 1.00 0.45 C ATOM 1136 C PRO A 75 5.321 6.261 -4.199 1.00 0.40 C ATOM 1137 O PRO A 75 5.070 6.867 -5.226 1.00 0.41 O ATOM 1138 CB PRO A 75 4.867 7.643 -2.161 1.00 0.46 C ATOM 1139 CG PRO A 75 4.964 9.180 -2.403 1.00 0.54 C ATOM 1140 CD PRO A 75 6.219 9.432 -3.259 1.00 0.57 C ATOM 0 HA PRO A 75 6.543 6.242 -2.448 1.00 0.45 H new ATOM 0 HB2 PRO A 75 3.885 7.269 -2.449 1.00 0.46 H new ATOM 0 HB3 PRO A 75 4.999 7.411 -1.104 1.00 0.46 H new ATOM 0 HG2 PRO A 75 4.072 9.546 -2.912 1.00 0.54 H new ATOM 0 HG3 PRO A 75 5.032 9.714 -1.455 1.00 0.54 H new ATOM 0 HD2 PRO A 75 5.961 9.897 -4.211 1.00 0.57 H new ATOM 0 HD3 PRO A 75 6.913 10.104 -2.754 1.00 0.57 H new ATOM 1148 N THR A 76 5.065 4.982 -4.039 1.00 0.35 N ATOM 1149 CA THR A 76 4.432 4.208 -5.151 1.00 0.31 C ATOM 1150 C THR A 76 3.253 3.388 -4.615 1.00 0.28 C ATOM 1151 O THR A 76 3.424 2.532 -3.769 1.00 0.34 O ATOM 1152 CB THR A 76 5.471 3.266 -5.773 1.00 0.31 C ATOM 1153 OG1 THR A 76 6.253 4.100 -6.622 1.00 0.35 O ATOM 1154 CG2 THR A 76 4.817 2.248 -6.703 1.00 0.27 C ATOM 0 H THR A 76 5.266 4.447 -3.194 1.00 0.35 H new ATOM 0 HA THR A 76 4.067 4.903 -5.908 1.00 0.31 H new ATOM 0 HB THR A 76 6.017 2.743 -4.988 1.00 0.31 H new ATOM 0 HG1 THR A 76 7.124 4.267 -6.204 1.00 0.35 H new ATOM 0 HG21 THR A 76 5.582 1.597 -7.126 1.00 0.27 H new ATOM 0 HG22 THR A 76 4.101 1.649 -6.141 1.00 0.27 H new ATOM 0 HG23 THR A 76 4.300 2.770 -7.508 1.00 0.27 H new ATOM 1162 N PHE A 77 2.079 3.670 -5.116 1.00 0.20 N ATOM 1163 CA PHE A 77 0.882 2.913 -4.642 1.00 0.19 C ATOM 1164 C PHE A 77 0.605 1.723 -5.553 1.00 0.16 C ATOM 1165 O PHE A 77 0.615 1.850 -6.762 1.00 0.14 O ATOM 1166 CB PHE A 77 -0.333 3.834 -4.643 1.00 0.19 C ATOM 1167 CG PHE A 77 -0.268 4.757 -3.432 1.00 0.20 C ATOM 1168 CD1 PHE A 77 -0.491 4.253 -2.165 1.00 0.18 C ATOM 1169 CD2 PHE A 77 0.010 6.104 -3.583 1.00 0.24 C ATOM 1170 CE1 PHE A 77 -0.438 5.084 -1.065 1.00 0.20 C ATOM 1171 CE2 PHE A 77 0.065 6.932 -2.481 1.00 0.25 C ATOM 1172 CZ PHE A 77 -0.160 6.422 -1.224 1.00 0.24 C ATOM 0 H PHE A 77 1.898 4.382 -5.824 1.00 0.20 H new ATOM 0 HA PHE A 77 1.077 2.549 -3.633 1.00 0.19 H new ATOM 0 HB2 PHE A 77 -0.358 4.421 -5.561 1.00 0.19 H new ATOM 0 HB3 PHE A 77 -1.250 3.245 -4.617 1.00 0.19 H new ATOM 0 HD1 PHE A 77 -0.708 3.203 -2.035 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.185 6.509 -4.569 1.00 0.24 H new ATOM 0 HE1 PHE A 77 -0.615 4.684 -0.078 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.285 7.982 -2.606 1.00 0.25 H new ATOM 0 HZ PHE A 77 -0.119 7.071 -0.362 1.00 0.24 H new ATOM 1182 N GLN A 78 0.365 0.589 -4.948 1.00 0.18 N ATOM 1183 CA GLN A 78 0.069 -0.637 -5.758 1.00 0.16 C ATOM 1184 C GLN A 78 -1.275 -1.245 -5.342 1.00 0.16 C ATOM 1185 O GLN A 78 -1.692 -1.124 -4.206 1.00 0.16 O ATOM 1186 CB GLN A 78 1.183 -1.653 -5.549 1.00 0.17 C ATOM 1187 CG GLN A 78 2.118 -1.615 -6.760 1.00 0.42 C ATOM 1188 CD GLN A 78 3.359 -2.460 -6.471 1.00 0.81 C ATOM 1189 OE1 GLN A 78 3.396 -3.641 -6.747 1.00 1.67 O ATOM 1190 NE2 GLN A 78 4.398 -1.893 -5.920 1.00 0.86 N ATOM 0 H GLN A 78 0.360 0.456 -3.937 1.00 0.18 H new ATOM 0 HA GLN A 78 0.011 -0.364 -6.812 1.00 0.16 H new ATOM 0 HB2 GLN A 78 1.736 -1.425 -4.638 1.00 0.17 H new ATOM 0 HB3 GLN A 78 0.765 -2.652 -5.426 1.00 0.17 H new ATOM 0 HG2 GLN A 78 1.603 -1.995 -7.643 1.00 0.42 H new ATOM 0 HG3 GLN A 78 2.407 -0.587 -6.978 1.00 0.42 H new ATOM 0 HE21 GLN A 78 4.373 -0.901 -5.686 1.00 0.86 H new ATOM 0 HE22 GLN A 78 5.235 -2.442 -5.724 1.00 0.86 H new ATOM 1199 N PHE A 79 -1.917 -1.890 -6.285 1.00 0.17 N ATOM 1200 CA PHE A 79 -3.248 -2.514 -6.000 1.00 0.19 C ATOM 1201 C PHE A 79 -3.157 -4.037 -6.168 1.00 0.19 C ATOM 1202 O PHE A 79 -2.889 -4.519 -7.250 1.00 0.21 O ATOM 1203 CB PHE A 79 -4.275 -1.961 -6.999 1.00 0.22 C ATOM 1204 CG PHE A 79 -4.626 -0.506 -6.647 1.00 0.23 C ATOM 1205 CD1 PHE A 79 -3.658 0.491 -6.686 1.00 0.22 C ATOM 1206 CD2 PHE A 79 -5.920 -0.166 -6.287 1.00 0.26 C ATOM 1207 CE1 PHE A 79 -3.984 1.793 -6.366 1.00 0.24 C ATOM 1208 CE2 PHE A 79 -6.238 1.138 -5.969 1.00 0.27 C ATOM 1209 CZ PHE A 79 -5.272 2.115 -6.008 1.00 0.26 C ATOM 0 H PHE A 79 -1.578 -2.012 -7.239 1.00 0.17 H new ATOM 0 HA PHE A 79 -3.548 -2.282 -4.978 1.00 0.19 H new ATOM 0 HB2 PHE A 79 -3.873 -2.011 -8.011 1.00 0.22 H new ATOM 0 HB3 PHE A 79 -5.176 -2.574 -6.983 1.00 0.22 H new ATOM 0 HD1 PHE A 79 -2.645 0.245 -6.968 1.00 0.22 H new ATOM 0 HD2 PHE A 79 -6.685 -0.927 -6.255 1.00 0.26 H new ATOM 0 HE1 PHE A 79 -3.226 2.561 -6.397 1.00 0.24 H new ATOM 0 HE2 PHE A 79 -7.249 1.392 -5.688 1.00 0.27 H new ATOM 0 HZ PHE A 79 -5.524 3.135 -5.758 1.00 0.26 H new ATOM 1219 N PHE A 80 -3.387 -4.762 -5.094 1.00 0.22 N ATOM 1220 CA PHE A 80 -3.318 -6.260 -5.182 1.00 0.22 C ATOM 1221 C PHE A 80 -4.696 -6.872 -4.915 1.00 0.24 C ATOM 1222 O PHE A 80 -5.475 -6.348 -4.139 1.00 0.29 O ATOM 1223 CB PHE A 80 -2.322 -6.778 -4.147 1.00 0.18 C ATOM 1224 CG PHE A 80 -0.899 -6.454 -4.602 1.00 0.17 C ATOM 1225 CD1 PHE A 80 -0.279 -7.218 -5.576 1.00 0.16 C ATOM 1226 CD2 PHE A 80 -0.212 -5.393 -4.044 1.00 0.17 C ATOM 1227 CE1 PHE A 80 1.008 -6.921 -5.981 1.00 0.16 C ATOM 1228 CE2 PHE A 80 1.071 -5.101 -4.451 1.00 0.18 C ATOM 1229 CZ PHE A 80 1.680 -5.865 -5.417 1.00 0.17 C ATOM 0 H PHE A 80 -3.616 -4.388 -4.173 1.00 0.22 H new ATOM 0 HA PHE A 80 -2.995 -6.544 -6.184 1.00 0.22 H new ATOM 0 HB2 PHE A 80 -2.518 -6.321 -3.177 1.00 0.18 H new ATOM 0 HB3 PHE A 80 -2.439 -7.854 -4.021 1.00 0.18 H new ATOM 0 HD1 PHE A 80 -0.804 -8.050 -6.021 1.00 0.16 H new ATOM 0 HD2 PHE A 80 -0.684 -4.789 -3.284 1.00 0.17 H new ATOM 0 HE1 PHE A 80 1.486 -7.520 -6.742 1.00 0.16 H new ATOM 0 HE2 PHE A 80 1.600 -4.269 -4.010 1.00 0.18 H new ATOM 0 HZ PHE A 80 2.687 -5.635 -5.733 1.00 0.17 H new ATOM 1239 N LYS A 81 -4.967 -7.974 -5.569 1.00 0.24 N ATOM 1240 CA LYS A 81 -6.285 -8.649 -5.374 1.00 0.26 C ATOM 1241 C LYS A 81 -6.090 -10.164 -5.262 1.00 0.20 C ATOM 1242 O LYS A 81 -5.480 -10.778 -6.115 1.00 0.24 O ATOM 1243 CB LYS A 81 -7.186 -8.344 -6.569 1.00 0.37 C ATOM 1244 CG LYS A 81 -8.623 -8.751 -6.230 1.00 0.40 C ATOM 1245 CD LYS A 81 -9.525 -8.511 -7.446 1.00 1.03 C ATOM 1246 CE LYS A 81 -10.062 -7.078 -7.401 1.00 1.58 C ATOM 1247 NZ LYS A 81 -10.430 -6.617 -8.769 1.00 2.70 N ATOM 0 H LYS A 81 -4.336 -8.433 -6.226 1.00 0.24 H new ATOM 0 HA LYS A 81 -6.744 -8.280 -4.457 1.00 0.26 H new ATOM 0 HB2 LYS A 81 -7.143 -7.282 -6.811 1.00 0.37 H new ATOM 0 HB3 LYS A 81 -6.839 -8.886 -7.449 1.00 0.37 H new ATOM 0 HG2 LYS A 81 -8.656 -9.802 -5.942 1.00 0.40 H new ATOM 0 HG3 LYS A 81 -8.983 -8.175 -5.378 1.00 0.40 H new ATOM 0 HD2 LYS A 81 -8.965 -8.673 -8.367 1.00 1.03 H new ATOM 0 HD3 LYS A 81 -10.351 -9.222 -7.446 1.00 1.03 H new ATOM 0 HE2 LYS A 81 -10.933 -7.030 -6.748 1.00 1.58 H new ATOM 0 HE3 LYS A 81 -9.309 -6.414 -6.977 1.00 1.58 H new ATOM 0 HZ1 LYS A 81 -10.792 -5.643 -8.721 1.00 2.70 H new ATOM 0 HZ2 LYS A 81 -9.590 -6.644 -9.382 1.00 2.70 H new ATOM 0 HZ3 LYS A 81 -11.164 -7.241 -9.160 1.00 2.70 H new ATOM 1261 N LYS A 82 -6.611 -10.733 -4.211 1.00 0.17 N ATOM 1262 CA LYS A 82 -6.463 -12.206 -4.027 1.00 0.19 C ATOM 1263 C LYS A 82 -4.990 -12.604 -4.162 1.00 0.19 C ATOM 1264 O LYS A 82 -4.666 -13.773 -4.249 1.00 0.19 O ATOM 1265 CB LYS A 82 -7.288 -12.930 -5.088 1.00 0.17 C ATOM 1266 CG LYS A 82 -7.895 -14.193 -4.474 1.00 0.82 C ATOM 1267 CD LYS A 82 -8.642 -14.970 -5.560 1.00 0.93 C ATOM 1268 CE LYS A 82 -9.682 -15.881 -4.903 1.00 1.38 C ATOM 1269 NZ LYS A 82 -9.047 -16.729 -3.855 1.00 2.62 N ATOM 0 H LYS A 82 -7.128 -10.249 -3.477 1.00 0.17 H new ATOM 0 HA LYS A 82 -6.816 -12.484 -3.034 1.00 0.19 H new ATOM 0 HB2 LYS A 82 -8.077 -12.277 -5.461 1.00 0.17 H new ATOM 0 HB3 LYS A 82 -6.660 -13.190 -5.940 1.00 0.17 H new ATOM 0 HG2 LYS A 82 -7.111 -14.814 -4.040 1.00 0.82 H new ATOM 0 HG3 LYS A 82 -8.576 -13.928 -3.666 1.00 0.82 H new ATOM 0 HD2 LYS A 82 -9.129 -14.279 -6.248 1.00 0.93 H new ATOM 0 HD3 LYS A 82 -7.941 -15.563 -6.147 1.00 0.93 H new ATOM 0 HE2 LYS A 82 -10.474 -15.278 -4.460 1.00 1.38 H new ATOM 0 HE3 LYS A 82 -10.148 -16.514 -5.658 1.00 1.38 H new ATOM 0 HZ1 LYS A 82 -9.697 -17.496 -3.588 1.00 2.62 H new ATOM 0 HZ2 LYS A 82 -8.165 -17.136 -4.226 1.00 2.62 H new ATOM 0 HZ3 LYS A 82 -8.835 -16.148 -3.019 1.00 2.62 H new ATOM 1283 N GLY A 83 -4.130 -11.620 -4.178 1.00 0.19 N ATOM 1284 CA GLY A 83 -2.674 -11.917 -4.304 1.00 0.19 C ATOM 1285 C GLY A 83 -2.212 -11.724 -5.751 1.00 0.13 C ATOM 1286 O GLY A 83 -1.252 -12.332 -6.182 1.00 0.23 O ATOM 0 H GLY A 83 -4.371 -10.631 -4.110 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.105 -11.263 -3.644 1.00 0.19 H new ATOM 0 HA3 GLY A 83 -2.477 -12.941 -3.986 1.00 0.19 H new ATOM 1290 N GLN A 84 -2.910 -10.881 -6.467 1.00 0.21 N ATOM 1291 CA GLN A 84 -2.532 -10.627 -7.886 1.00 0.14 C ATOM 1292 C GLN A 84 -2.605 -9.126 -8.186 1.00 0.16 C ATOM 1293 O GLN A 84 -3.601 -8.484 -7.920 1.00 0.19 O ATOM 1294 CB GLN A 84 -3.496 -11.383 -8.798 1.00 0.09 C ATOM 1295 CG GLN A 84 -3.249 -10.962 -10.244 1.00 1.57 C ATOM 1296 CD GLN A 84 -3.376 -12.186 -11.155 1.00 1.48 C ATOM 1297 OE1 GLN A 84 -2.397 -12.807 -11.517 1.00 2.19 O ATOM 1298 NE2 GLN A 84 -4.562 -12.564 -11.546 1.00 1.33 N ATOM 0 H GLN A 84 -3.721 -10.361 -6.132 1.00 0.21 H new ATOM 0 HA GLN A 84 -1.512 -10.970 -8.060 1.00 0.14 H new ATOM 0 HB2 GLN A 84 -3.352 -12.458 -8.689 1.00 0.09 H new ATOM 0 HB3 GLN A 84 -4.527 -11.170 -8.515 1.00 0.09 H new ATOM 0 HG2 GLN A 84 -3.967 -10.198 -10.540 1.00 1.57 H new ATOM 0 HG3 GLN A 84 -2.257 -10.522 -10.343 1.00 1.57 H new ATOM 0 HE21 GLN A 84 -5.387 -12.046 -11.245 1.00 1.33 H new ATOM 0 HE22 GLN A 84 -4.664 -13.378 -12.153 1.00 1.33 H new ATOM 1307 N LYS A 85 -1.544 -8.602 -8.733 1.00 0.17 N ATOM 1308 CA LYS A 85 -1.524 -7.148 -9.051 1.00 0.19 C ATOM 1309 C LYS A 85 -2.547 -6.829 -10.148 1.00 0.21 C ATOM 1310 O LYS A 85 -2.671 -7.557 -11.112 1.00 0.18 O ATOM 1311 CB LYS A 85 -0.119 -6.771 -9.533 1.00 0.20 C ATOM 1312 CG LYS A 85 0.051 -5.248 -9.524 1.00 0.22 C ATOM 1313 CD LYS A 85 1.544 -4.916 -9.521 1.00 0.22 C ATOM 1314 CE LYS A 85 2.191 -5.494 -10.784 1.00 0.35 C ATOM 1315 NZ LYS A 85 3.446 -4.759 -11.108 1.00 0.80 N ATOM 0 H LYS A 85 -0.695 -9.114 -8.972 1.00 0.17 H new ATOM 0 HA LYS A 85 -1.782 -6.577 -8.159 1.00 0.19 H new ATOM 0 HB2 LYS A 85 0.630 -7.232 -8.889 1.00 0.20 H new ATOM 0 HB3 LYS A 85 0.044 -7.157 -10.539 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -0.431 -4.810 -10.398 1.00 0.22 H new ATOM 0 HG3 LYS A 85 -0.432 -4.820 -8.646 1.00 0.22 H new ATOM 0 HD2 LYS A 85 1.689 -3.836 -9.485 1.00 0.22 H new ATOM 0 HD3 LYS A 85 2.019 -5.331 -8.632 1.00 0.22 H new ATOM 0 HE2 LYS A 85 2.409 -6.552 -10.637 1.00 0.35 H new ATOM 0 HE3 LYS A 85 1.496 -5.425 -11.621 1.00 0.35 H new ATOM 0 HZ1 LYS A 85 4.000 -5.306 -11.797 1.00 0.80 H new ATOM 0 HZ2 LYS A 85 3.210 -3.830 -11.512 1.00 0.80 H new ATOM 0 HZ3 LYS A 85 4.005 -4.627 -10.241 1.00 0.80 H new ATOM 1329 N VAL A 86 -3.257 -5.744 -9.969 1.00 0.25 N ATOM 1330 CA VAL A 86 -4.281 -5.351 -10.989 1.00 0.27 C ATOM 1331 C VAL A 86 -4.187 -3.850 -11.296 1.00 0.24 C ATOM 1332 O VAL A 86 -4.610 -3.403 -12.344 1.00 0.26 O ATOM 1333 CB VAL A 86 -5.674 -5.671 -10.449 1.00 0.28 C ATOM 1334 CG1 VAL A 86 -5.932 -7.175 -10.576 1.00 0.31 C ATOM 1335 CG2 VAL A 86 -5.747 -5.271 -8.974 1.00 0.25 C ATOM 0 H VAL A 86 -3.175 -5.117 -9.169 1.00 0.25 H new ATOM 0 HA VAL A 86 -4.097 -5.908 -11.908 1.00 0.27 H new ATOM 0 HB VAL A 86 -6.423 -5.120 -11.017 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -6.925 -7.408 -10.192 1.00 0.31 H new ATOM 0 HG12 VAL A 86 -5.871 -7.467 -11.624 1.00 0.31 H new ATOM 0 HG13 VAL A 86 -5.184 -7.722 -10.003 1.00 0.31 H new ATOM 0 HG21 VAL A 86 -6.739 -5.498 -8.584 1.00 0.25 H new ATOM 0 HG22 VAL A 86 -4.999 -5.827 -8.409 1.00 0.25 H new ATOM 0 HG23 VAL A 86 -5.554 -4.203 -8.877 1.00 0.25 H new ATOM 1345 N GLY A 87 -3.636 -3.101 -10.378 1.00 0.20 N ATOM 1346 CA GLY A 87 -3.512 -1.632 -10.610 1.00 0.17 C ATOM 1347 C GLY A 87 -2.245 -1.088 -9.946 1.00 0.17 C ATOM 1348 O GLY A 87 -1.766 -1.639 -8.976 1.00 0.18 O ATOM 0 H GLY A 87 -3.270 -3.438 -9.487 1.00 0.20 H new ATOM 0 HA2 GLY A 87 -3.484 -1.428 -11.680 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.387 -1.120 -10.210 1.00 0.17 H new ATOM 1352 N GLU A 88 -1.725 -0.018 -10.486 1.00 0.16 N ATOM 1353 CA GLU A 88 -0.492 0.569 -9.884 1.00 0.16 C ATOM 1354 C GLU A 88 -0.246 1.986 -10.414 1.00 0.16 C ATOM 1355 O GLU A 88 -0.149 2.206 -11.605 1.00 0.19 O ATOM 1356 CB GLU A 88 0.709 -0.318 -10.224 1.00 0.22 C ATOM 1357 CG GLU A 88 0.741 -0.580 -11.736 1.00 1.04 C ATOM 1358 CD GLU A 88 0.595 -2.081 -11.992 1.00 2.09 C ATOM 1359 OE1 GLU A 88 1.621 -2.738 -11.961 1.00 1.92 O ATOM 1360 OE2 GLU A 88 -0.537 -2.485 -12.203 1.00 3.44 O ATOM 0 H GLU A 88 -2.093 0.468 -11.304 1.00 0.16 H new ATOM 0 HA GLU A 88 -0.624 0.623 -8.803 1.00 0.16 H new ATOM 0 HB2 GLU A 88 1.633 0.166 -9.909 1.00 0.22 H new ATOM 0 HB3 GLU A 88 0.643 -1.261 -9.682 1.00 0.22 H new ATOM 0 HG2 GLU A 88 -0.065 -0.035 -12.228 1.00 1.04 H new ATOM 0 HG3 GLU A 88 1.677 -0.216 -12.160 1.00 1.04 H new ATOM 1367 N PHE A 89 -0.151 2.916 -9.505 1.00 0.13 N ATOM 1368 CA PHE A 89 0.108 4.320 -9.908 1.00 0.15 C ATOM 1369 C PHE A 89 0.919 5.025 -8.815 1.00 0.13 C ATOM 1370 O PHE A 89 0.603 4.925 -7.644 1.00 0.12 O ATOM 1371 CB PHE A 89 -1.233 5.011 -10.113 1.00 0.16 C ATOM 1372 CG PHE A 89 -1.700 5.667 -8.811 1.00 0.18 C ATOM 1373 CD1 PHE A 89 -1.220 6.911 -8.439 1.00 0.17 C ATOM 1374 CD2 PHE A 89 -2.615 5.027 -7.992 1.00 0.22 C ATOM 1375 CE1 PHE A 89 -1.649 7.503 -7.267 1.00 0.19 C ATOM 1376 CE2 PHE A 89 -3.042 5.622 -6.821 1.00 0.25 C ATOM 1377 CZ PHE A 89 -2.561 6.859 -6.461 1.00 0.23 C ATOM 0 H PHE A 89 -0.242 2.761 -8.501 1.00 0.13 H new ATOM 0 HA PHE A 89 0.681 4.356 -10.834 1.00 0.15 H new ATOM 0 HB2 PHE A 89 -1.145 5.764 -10.896 1.00 0.16 H new ATOM 0 HB3 PHE A 89 -1.975 4.287 -10.449 1.00 0.16 H new ATOM 0 HD1 PHE A 89 -0.506 7.421 -9.069 1.00 0.17 H new ATOM 0 HD2 PHE A 89 -2.997 4.056 -8.271 1.00 0.22 H new ATOM 0 HE1 PHE A 89 -1.268 8.473 -6.982 1.00 0.19 H new ATOM 0 HE2 PHE A 89 -3.755 5.115 -6.187 1.00 0.25 H new ATOM 0 HZ PHE A 89 -2.898 7.325 -5.547 1.00 0.23 H new ATOM 1387 N SER A 90 1.956 5.716 -9.222 1.00 0.14 N ATOM 1388 CA SER A 90 2.816 6.417 -8.217 1.00 0.14 C ATOM 1389 C SER A 90 2.588 7.928 -8.259 1.00 0.17 C ATOM 1390 O SER A 90 1.950 8.439 -9.158 1.00 0.20 O ATOM 1391 CB SER A 90 4.282 6.119 -8.529 1.00 0.12 C ATOM 1392 OG SER A 90 4.509 6.756 -9.778 1.00 0.07 O ATOM 0 H SER A 90 2.242 5.825 -10.195 1.00 0.14 H new ATOM 0 HA SER A 90 2.556 6.058 -7.221 1.00 0.14 H new ATOM 0 HB2 SER A 90 4.942 6.512 -7.756 1.00 0.12 H new ATOM 0 HB3 SER A 90 4.466 5.046 -8.590 1.00 0.12 H new ATOM 0 HG SER A 90 5.439 6.613 -10.054 1.00 0.07 H new ATOM 1398 N GLY A 91 3.125 8.607 -7.274 1.00 0.19 N ATOM 1399 CA GLY A 91 2.963 10.093 -7.214 1.00 0.23 C ATOM 1400 C GLY A 91 2.403 10.513 -5.853 1.00 0.31 C ATOM 1401 O GLY A 91 1.556 9.844 -5.294 1.00 0.37 O ATOM 0 H GLY A 91 3.666 8.198 -6.512 1.00 0.19 H new ATOM 0 HA2 GLY A 91 3.925 10.577 -7.384 1.00 0.23 H new ATOM 0 HA3 GLY A 91 2.294 10.425 -8.008 1.00 0.23 H new ATOM 1405 N ALA A 92 2.886 11.616 -5.349 1.00 0.33 N ATOM 1406 CA ALA A 92 2.391 12.094 -4.024 1.00 0.42 C ATOM 1407 C ALA A 92 0.972 12.653 -4.163 1.00 0.49 C ATOM 1408 O ALA A 92 0.780 13.847 -4.283 1.00 0.48 O ATOM 1409 CB ALA A 92 3.322 13.190 -3.506 1.00 0.49 C ATOM 0 H ALA A 92 3.594 12.202 -5.791 1.00 0.33 H new ATOM 0 HA ALA A 92 2.376 11.259 -3.323 1.00 0.42 H new ATOM 0 HB1 ALA A 92 2.965 13.543 -2.538 1.00 0.49 H new ATOM 0 HB2 ALA A 92 4.330 12.790 -3.397 1.00 0.49 H new ATOM 0 HB3 ALA A 92 3.335 14.020 -4.213 1.00 0.49 H new ATOM 1415 N ASN A 93 0.007 11.776 -4.143 1.00 0.79 N ATOM 1416 CA ASN A 93 -1.406 12.236 -4.275 1.00 0.88 C ATOM 1417 C ASN A 93 -2.326 11.368 -3.413 1.00 0.81 C ATOM 1418 O ASN A 93 -2.140 10.170 -3.319 1.00 0.94 O ATOM 1419 CB ASN A 93 -1.830 12.127 -5.740 1.00 0.88 C ATOM 1420 CG ASN A 93 -2.963 13.118 -6.019 1.00 1.04 C ATOM 1421 OD1 ASN A 93 -3.274 13.418 -7.154 1.00 1.02 O ATOM 1422 ND2 ASN A 93 -3.606 13.647 -5.015 1.00 1.26 N ATOM 0 H ASN A 93 0.132 10.769 -4.042 1.00 0.79 H new ATOM 0 HA ASN A 93 -1.481 13.271 -3.940 1.00 0.88 H new ATOM 0 HB2 ASN A 93 -0.981 12.336 -6.392 1.00 0.88 H new ATOM 0 HB3 ASN A 93 -2.159 11.111 -5.960 1.00 0.88 H new ATOM 0 HD21 ASN A 93 -4.364 14.308 -5.186 1.00 1.26 H new ATOM 0 HD22 ASN A 93 -3.351 13.400 -4.059 1.00 1.26 H new ATOM 1429 N LYS A 94 -3.299 11.998 -2.805 1.00 0.65 N ATOM 1430 CA LYS A 94 -4.255 11.237 -1.939 1.00 0.60 C ATOM 1431 C LYS A 94 -5.660 11.313 -2.530 1.00 0.53 C ATOM 1432 O LYS A 94 -6.333 10.310 -2.667 1.00 0.38 O ATOM 1433 CB LYS A 94 -4.267 11.836 -0.526 1.00 0.74 C ATOM 1434 CG LYS A 94 -3.035 12.733 -0.322 1.00 0.83 C ATOM 1435 CD LYS A 94 -3.253 14.083 -1.024 1.00 0.31 C ATOM 1436 CE LYS A 94 -3.486 15.164 0.034 1.00 1.04 C ATOM 1437 NZ LYS A 94 -3.720 16.486 -0.613 1.00 1.09 N ATOM 0 H LYS A 94 -3.474 13.001 -2.869 1.00 0.65 H new ATOM 0 HA LYS A 94 -3.936 10.196 -1.890 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -5.178 12.416 -0.376 1.00 0.74 H new ATOM 0 HB3 LYS A 94 -4.272 11.037 0.216 1.00 0.74 H new ATOM 0 HG2 LYS A 94 -2.860 12.890 0.742 1.00 0.83 H new ATOM 0 HG3 LYS A 94 -2.147 12.244 -0.722 1.00 0.83 H new ATOM 0 HD2 LYS A 94 -2.385 14.334 -1.634 1.00 0.31 H new ATOM 0 HD3 LYS A 94 -4.109 14.024 -1.696 1.00 0.31 H new ATOM 0 HE2 LYS A 94 -4.344 14.898 0.652 1.00 1.04 H new ATOM 0 HE3 LYS A 94 -2.623 15.225 0.697 1.00 1.04 H new ATOM 0 HZ1 LYS A 94 -3.876 17.208 0.119 1.00 1.09 H new ATOM 0 HZ2 LYS A 94 -2.890 16.745 -1.183 1.00 1.09 H new ATOM 0 HZ3 LYS A 94 -4.557 16.429 -1.227 1.00 1.09 H new ATOM 1451 N GLU A 95 -6.078 12.502 -2.868 1.00 0.65 N ATOM 1452 CA GLU A 95 -7.432 12.652 -3.460 1.00 0.60 C ATOM 1453 C GLU A 95 -7.615 11.624 -4.579 1.00 0.54 C ATOM 1454 O GLU A 95 -8.720 11.334 -4.992 1.00 0.50 O ATOM 1455 CB GLU A 95 -7.579 14.065 -4.026 1.00 0.66 C ATOM 1456 CG GLU A 95 -9.004 14.564 -3.772 1.00 1.00 C ATOM 1457 CD GLU A 95 -9.121 15.047 -2.324 1.00 2.28 C ATOM 1458 OE1 GLU A 95 -8.858 16.222 -2.123 1.00 2.45 O ATOM 1459 OE2 GLU A 95 -9.470 14.216 -1.502 1.00 3.47 O ATOM 0 H GLU A 95 -5.546 13.365 -2.761 1.00 0.65 H new ATOM 0 HA GLU A 95 -8.190 12.487 -2.694 1.00 0.60 H new ATOM 0 HB2 GLU A 95 -6.858 14.734 -3.557 1.00 0.66 H new ATOM 0 HB3 GLU A 95 -7.366 14.065 -5.095 1.00 0.66 H new ATOM 0 HG2 GLU A 95 -9.245 15.375 -4.459 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -9.720 13.764 -3.960 1.00 1.00 H new ATOM 1466 N LYS A 96 -6.513 11.099 -5.046 1.00 0.54 N ATOM 1467 CA LYS A 96 -6.581 10.082 -6.132 1.00 0.49 C ATOM 1468 C LYS A 96 -6.855 8.693 -5.542 1.00 0.43 C ATOM 1469 O LYS A 96 -7.684 7.963 -6.039 1.00 0.41 O ATOM 1470 CB LYS A 96 -5.250 10.066 -6.880 1.00 0.52 C ATOM 1471 CG LYS A 96 -5.286 8.971 -7.949 1.00 0.55 C ATOM 1472 CD LYS A 96 -4.235 9.276 -9.020 1.00 1.06 C ATOM 1473 CE LYS A 96 -4.903 10.022 -10.178 1.00 0.17 C ATOM 1474 NZ LYS A 96 -3.894 10.384 -11.214 1.00 0.69 N ATOM 0 H LYS A 96 -5.573 11.330 -4.723 1.00 0.54 H new ATOM 0 HA LYS A 96 -7.391 10.338 -6.816 1.00 0.49 H new ATOM 0 HB2 LYS A 96 -5.067 11.036 -7.342 1.00 0.52 H new ATOM 0 HB3 LYS A 96 -4.431 9.885 -6.184 1.00 0.52 H new ATOM 0 HG2 LYS A 96 -5.090 7.999 -7.497 1.00 0.55 H new ATOM 0 HG3 LYS A 96 -6.277 8.919 -8.400 1.00 0.55 H new ATOM 0 HD2 LYS A 96 -3.432 9.879 -8.598 1.00 1.06 H new ATOM 0 HD3 LYS A 96 -3.784 8.351 -9.379 1.00 1.06 H new ATOM 0 HE2 LYS A 96 -5.680 9.399 -10.620 1.00 0.17 H new ATOM 0 HE3 LYS A 96 -5.390 10.923 -9.806 1.00 0.17 H new ATOM 0 HZ1 LYS A 96 -4.362 10.889 -11.993 1.00 0.69 H new ATOM 0 HZ2 LYS A 96 -3.167 10.996 -10.792 1.00 0.69 H new ATOM 0 HZ3 LYS A 96 -3.448 9.519 -11.581 1.00 0.69 H new ATOM 1488 N LEU A 97 -6.146 8.357 -4.492 1.00 0.40 N ATOM 1489 CA LEU A 97 -6.359 7.017 -3.861 1.00 0.35 C ATOM 1490 C LEU A 97 -7.861 6.728 -3.742 1.00 0.34 C ATOM 1491 O LEU A 97 -8.307 5.625 -3.990 1.00 0.50 O ATOM 1492 CB LEU A 97 -5.736 7.004 -2.452 1.00 0.37 C ATOM 1493 CG LEU A 97 -4.242 6.648 -2.536 1.00 0.52 C ATOM 1494 CD1 LEU A 97 -3.522 7.168 -1.284 1.00 0.52 C ATOM 1495 CD2 LEU A 97 -4.072 5.119 -2.598 1.00 0.70 C ATOM 0 H LEU A 97 -5.438 8.943 -4.049 1.00 0.40 H new ATOM 0 HA LEU A 97 -5.888 6.256 -4.483 1.00 0.35 H new ATOM 0 HB2 LEU A 97 -5.859 7.980 -1.983 1.00 0.37 H new ATOM 0 HB3 LEU A 97 -6.255 6.280 -1.823 1.00 0.37 H new ATOM 0 HG LEU A 97 -3.819 7.104 -3.431 1.00 0.52 H new ATOM 0 HD11 LEU A 97 -2.463 6.916 -1.342 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -3.635 8.250 -1.223 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -3.956 6.707 -0.397 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -3.012 4.873 -2.657 1.00 0.70 H new ATOM 0 HD22 LEU A 97 -4.499 4.669 -1.702 1.00 0.70 H new ATOM 0 HD23 LEU A 97 -4.584 4.731 -3.479 1.00 0.70 H new ATOM 1507 N GLU A 98 -8.606 7.732 -3.364 1.00 0.17 N ATOM 1508 CA GLU A 98 -10.080 7.542 -3.217 1.00 0.15 C ATOM 1509 C GLU A 98 -10.688 7.047 -4.524 1.00 0.17 C ATOM 1510 O GLU A 98 -11.088 5.905 -4.638 1.00 0.18 O ATOM 1511 CB GLU A 98 -10.721 8.875 -2.833 1.00 0.15 C ATOM 1512 CG GLU A 98 -12.241 8.707 -2.788 1.00 0.11 C ATOM 1513 CD GLU A 98 -12.843 9.784 -1.884 1.00 0.52 C ATOM 1514 OE1 GLU A 98 -12.734 10.936 -2.270 1.00 1.44 O ATOM 1515 OE2 GLU A 98 -13.377 9.395 -0.859 1.00 1.25 O ATOM 0 H GLU A 98 -8.262 8.669 -3.152 1.00 0.17 H new ATOM 0 HA GLU A 98 -10.266 6.799 -2.441 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.350 9.204 -1.862 1.00 0.15 H new ATOM 0 HB3 GLU A 98 -10.449 9.645 -3.556 1.00 0.15 H new ATOM 0 HG2 GLU A 98 -12.657 8.785 -3.793 1.00 0.11 H new ATOM 0 HG3 GLU A 98 -12.498 7.716 -2.413 1.00 0.11 H new ATOM 1522 N ALA A 99 -10.743 7.916 -5.482 1.00 0.20 N ATOM 1523 CA ALA A 99 -11.326 7.518 -6.798 1.00 0.24 C ATOM 1524 C ALA A 99 -10.685 6.213 -7.273 1.00 0.26 C ATOM 1525 O ALA A 99 -11.368 5.290 -7.673 1.00 0.27 O ATOM 1526 CB ALA A 99 -11.061 8.622 -7.821 1.00 0.29 C ATOM 0 H ALA A 99 -10.414 8.880 -5.420 1.00 0.20 H new ATOM 0 HA ALA A 99 -12.400 7.370 -6.690 1.00 0.24 H new ATOM 0 HB1 ALA A 99 -11.485 8.336 -8.783 1.00 0.29 H new ATOM 0 HB2 ALA A 99 -11.522 9.550 -7.483 1.00 0.29 H new ATOM 0 HB3 ALA A 99 -9.986 8.769 -7.927 1.00 0.29 H new ATOM 1532 N THR A 100 -9.384 6.165 -7.217 1.00 0.31 N ATOM 1533 CA THR A 100 -8.676 4.929 -7.654 1.00 0.36 C ATOM 1534 C THR A 100 -9.313 3.705 -6.992 1.00 0.33 C ATOM 1535 O THR A 100 -9.645 2.744 -7.653 1.00 0.36 O ATOM 1536 CB THR A 100 -7.205 5.029 -7.249 1.00 0.36 C ATOM 1537 OG1 THR A 100 -6.826 6.361 -7.582 1.00 0.46 O ATOM 1538 CG2 THR A 100 -6.324 4.132 -8.113 1.00 0.49 C ATOM 0 H THR A 100 -8.783 6.922 -6.890 1.00 0.31 H new ATOM 0 HA THR A 100 -8.753 4.825 -8.736 1.00 0.36 H new ATOM 0 HB THR A 100 -7.088 4.752 -6.201 1.00 0.36 H new ATOM 0 HG1 THR A 100 -6.929 6.937 -6.796 1.00 0.46 H new ATOM 0 HG21 THR A 100 -5.285 4.229 -7.797 1.00 0.49 H new ATOM 0 HG22 THR A 100 -6.642 3.095 -8.003 1.00 0.49 H new ATOM 0 HG23 THR A 100 -6.415 4.430 -9.157 1.00 0.49 H new ATOM 1546 N ILE A 101 -9.463 3.759 -5.697 1.00 0.30 N ATOM 1547 CA ILE A 101 -10.098 2.609 -4.998 1.00 0.28 C ATOM 1548 C ILE A 101 -11.467 2.362 -5.607 1.00 0.33 C ATOM 1549 O ILE A 101 -11.861 1.238 -5.841 1.00 0.39 O ATOM 1550 CB ILE A 101 -10.244 2.936 -3.512 1.00 0.24 C ATOM 1551 CG1 ILE A 101 -8.913 2.636 -2.800 1.00 0.22 C ATOM 1552 CG2 ILE A 101 -11.359 2.069 -2.914 1.00 0.26 C ATOM 1553 CD1 ILE A 101 -8.969 3.131 -1.346 1.00 0.66 C ATOM 0 H ILE A 101 -9.178 4.537 -5.102 1.00 0.30 H new ATOM 0 HA ILE A 101 -9.481 1.717 -5.108 1.00 0.28 H new ATOM 0 HB ILE A 101 -10.496 3.989 -3.383 1.00 0.24 H new ATOM 0 HG12 ILE A 101 -8.714 1.564 -2.820 1.00 0.22 H new ATOM 0 HG13 ILE A 101 -8.092 3.123 -3.327 1.00 0.22 H new ATOM 0 HG21 ILE A 101 -11.468 2.297 -1.854 1.00 0.26 H new ATOM 0 HG22 ILE A 101 -12.297 2.277 -3.429 1.00 0.26 H new ATOM 0 HG23 ILE A 101 -11.105 1.016 -3.034 1.00 0.26 H new ATOM 0 HD11 ILE A 101 -8.022 2.914 -0.851 1.00 0.66 H new ATOM 0 HD12 ILE A 101 -9.146 4.206 -1.334 1.00 0.66 H new ATOM 0 HD13 ILE A 101 -9.778 2.624 -0.820 1.00 0.66 H new ATOM 1565 N ASN A 102 -12.155 3.429 -5.856 1.00 0.31 N ATOM 1566 CA ASN A 102 -13.503 3.309 -6.469 1.00 0.35 C ATOM 1567 C ASN A 102 -13.377 2.634 -7.832 1.00 0.40 C ATOM 1568 O ASN A 102 -14.347 2.161 -8.392 1.00 0.40 O ATOM 1569 CB ASN A 102 -14.089 4.706 -6.645 1.00 0.38 C ATOM 1570 CG ASN A 102 -15.610 4.642 -6.509 1.00 0.27 C ATOM 1571 OD1 ASN A 102 -16.207 3.585 -6.573 1.00 0.31 O ATOM 1572 ND2 ASN A 102 -16.273 5.748 -6.321 1.00 0.73 N ATOM 0 H ASN A 102 -11.846 4.382 -5.663 1.00 0.31 H new ATOM 0 HA ASN A 102 -14.154 2.713 -5.829 1.00 0.35 H new ATOM 0 HB2 ASN A 102 -13.675 5.382 -5.898 1.00 0.38 H new ATOM 0 HB3 ASN A 102 -13.817 5.105 -7.622 1.00 0.38 H new ATOM 0 HD21 ASN A 102 -17.288 5.724 -6.228 1.00 0.73 H new ATOM 0 HD22 ASN A 102 -15.776 6.637 -6.267 1.00 0.73 H new ATOM 1579 N GLU A 103 -12.174 2.605 -8.333 1.00 0.44 N ATOM 1580 CA GLU A 103 -11.943 1.975 -9.661 1.00 0.50 C ATOM 1581 C GLU A 103 -12.054 0.448 -9.566 1.00 0.51 C ATOM 1582 O GLU A 103 -12.698 -0.175 -10.387 1.00 0.60 O ATOM 1583 CB GLU A 103 -10.544 2.353 -10.148 1.00 0.48 C ATOM 1584 CG GLU A 103 -10.505 2.288 -11.678 1.00 0.55 C ATOM 1585 CD GLU A 103 -10.841 3.666 -12.252 1.00 1.20 C ATOM 1586 OE1 GLU A 103 -12.022 3.900 -12.444 1.00 2.08 O ATOM 1587 OE2 GLU A 103 -9.894 4.407 -12.469 1.00 1.78 O ATOM 0 H GLU A 103 -11.344 2.989 -7.882 1.00 0.44 H new ATOM 0 HA GLU A 103 -12.699 2.332 -10.360 1.00 0.50 H new ATOM 0 HB2 GLU A 103 -10.287 3.357 -9.809 1.00 0.48 H new ATOM 0 HB3 GLU A 103 -9.804 1.674 -9.725 1.00 0.48 H new ATOM 0 HG2 GLU A 103 -9.518 1.972 -12.015 1.00 0.55 H new ATOM 0 HG3 GLU A 103 -11.218 1.547 -12.040 1.00 0.55 H new ATOM 1594 N LEU A 104 -11.426 -0.125 -8.565 1.00 0.44 N ATOM 1595 CA LEU A 104 -11.478 -1.617 -8.425 1.00 0.48 C ATOM 1596 C LEU A 104 -12.486 -2.038 -7.346 1.00 0.51 C ATOM 1597 O LEU A 104 -12.793 -3.206 -7.212 1.00 0.66 O ATOM 1598 CB LEU A 104 -10.087 -2.137 -8.043 1.00 0.41 C ATOM 1599 CG LEU A 104 -9.024 -1.496 -8.948 1.00 0.39 C ATOM 1600 CD1 LEU A 104 -7.679 -2.189 -8.709 1.00 0.33 C ATOM 1601 CD2 LEU A 104 -9.425 -1.676 -10.416 1.00 0.47 C ATOM 0 H LEU A 104 -10.888 0.366 -7.850 1.00 0.44 H new ATOM 0 HA LEU A 104 -11.795 -2.041 -9.378 1.00 0.48 H new ATOM 0 HB2 LEU A 104 -9.876 -1.905 -6.999 1.00 0.41 H new ATOM 0 HB3 LEU A 104 -10.055 -3.222 -8.141 1.00 0.41 H new ATOM 0 HG LEU A 104 -8.943 -0.433 -8.719 1.00 0.39 H new ATOM 0 HD11 LEU A 104 -6.919 -1.739 -9.348 1.00 0.33 H new ATOM 0 HD12 LEU A 104 -7.390 -2.072 -7.665 1.00 0.33 H new ATOM 0 HD13 LEU A 104 -7.769 -3.250 -8.944 1.00 0.33 H new ATOM 0 HD21 LEU A 104 -8.670 -1.221 -11.058 1.00 0.47 H new ATOM 0 HD22 LEU A 104 -9.502 -2.739 -10.644 1.00 0.47 H new ATOM 0 HD23 LEU A 104 -10.388 -1.196 -10.592 1.00 0.47 H new ATOM 1613 N VAL A 105 -12.986 -1.089 -6.605 1.00 0.42 N ATOM 1614 CA VAL A 105 -13.966 -1.452 -5.532 1.00 0.42 C ATOM 1615 C VAL A 105 -15.030 -2.403 -6.088 1.00 0.59 C ATOM 1616 O VAL A 105 -15.572 -3.140 -5.279 1.00 0.58 O ATOM 1617 CB VAL A 105 -14.645 -0.188 -5.009 1.00 0.37 C ATOM 1618 CG1 VAL A 105 -15.747 0.230 -5.985 1.00 0.37 C ATOM 1619 CG2 VAL A 105 -15.271 -0.484 -3.644 1.00 0.37 C ATOM 1620 OXT VAL A 105 -15.242 -2.338 -7.287 1.00 1.82 O ATOM 0 H VAL A 105 -12.767 -0.096 -6.689 1.00 0.42 H new ATOM 0 HA VAL A 105 -13.432 -1.946 -4.721 1.00 0.42 H new ATOM 0 HB VAL A 105 -13.912 0.613 -4.914 1.00 0.37 H new ATOM 0 HG11 VAL A 105 -16.236 1.132 -5.617 1.00 0.37 H new ATOM 0 HG12 VAL A 105 -15.310 0.427 -6.964 1.00 0.37 H new ATOM 0 HG13 VAL A 105 -16.481 -0.571 -6.070 1.00 0.37 H new ATOM 0 HG21 VAL A 105 -15.758 0.414 -3.264 1.00 0.37 H new ATOM 0 HG22 VAL A 105 -16.008 -1.280 -3.747 1.00 0.37 H new ATOM 0 HG23 VAL A 105 -14.493 -0.797 -2.947 1.00 0.37 H new