USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= 0.524 (180deg=0.0808) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.83) 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= -0.0765 K(o=-0.076,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 142:sc= -0.984! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -0.702 (180deg=-2.39!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -2.1! (180deg=-4.82!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.2 F(o=-0.78,f=-0.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 75:sc= 0.535 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0183 (180deg=-0.36) 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 :FLIP amide:sc= -2.88 F(o=-3.4!,f=-2.9) USER MOD Single : A 63 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.62) USER MOD Single : A 67 SER OG : rot 98:sc= 0.991 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 76 THR OG1 : rot -47:sc= -2.4! USER MOD Single : A 78 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -112:sc= -1.68 (180deg=-3.88!) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.498 F(o=-2.9!,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 123:sc= 1.34 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.41 F(o=-4,f=-2.4) USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= 1.79 (180deg=-0.599) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -0.281 (180deg=-1.21) USER MOD Single : A 100 THR OG1 : rot 76:sc= 0.0816 USER MOD Single : A 102 ASN : amide:sc=-0.00406 X(o=-0.0041,f=-0.37) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.07 USER MOD Single : B 11 SER OG : rot -35:sc= 0.0462 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.001 -1.719 8.658 1.00 0.24 N ATOM 21 CA VAL A 2 -2.611 -1.568 8.127 1.00 0.19 C ATOM 22 C VAL A 2 -1.846 -2.879 8.331 1.00 0.22 C ATOM 23 O VAL A 2 -2.192 -3.683 9.174 1.00 0.28 O ATOM 24 CB VAL A 2 -1.901 -0.441 8.878 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.507 -0.227 8.280 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.721 0.847 8.755 1.00 0.30 C ATOM 0 HA VAL A 2 -2.648 -1.329 7.064 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.803 -0.707 9.930 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.001 0.576 8.815 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.073 -1.145 8.371 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.600 0.041 7.227 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.217 1.652 9.290 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.820 1.116 7.703 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.711 0.691 9.184 1.00 0.30 H new ATOM 36 N LYS A 3 -0.807 -3.100 7.570 1.00 0.18 N ATOM 37 CA LYS A 3 -0.017 -4.359 7.722 1.00 0.22 C ATOM 38 C LYS A 3 1.404 -4.123 7.203 1.00 0.16 C ATOM 39 O LYS A 3 1.603 -3.693 6.085 1.00 0.13 O ATOM 40 CB LYS A 3 -0.673 -5.484 6.913 1.00 0.26 C ATOM 41 CG LYS A 3 0.200 -6.749 6.936 1.00 0.34 C ATOM 42 CD LYS A 3 0.572 -7.123 8.377 1.00 0.81 C ATOM 43 CE LYS A 3 1.054 -8.576 8.428 1.00 1.37 C ATOM 44 NZ LYS A 3 2.192 -8.752 7.484 1.00 1.97 N ATOM 0 H LYS A 3 -0.470 -2.463 6.848 1.00 0.18 H new ATOM 0 HA LYS A 3 0.014 -4.645 8.773 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.657 -5.708 7.324 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.824 -5.159 5.884 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.335 -7.575 6.467 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.106 -6.583 6.352 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.353 -6.458 8.745 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.291 -6.993 9.030 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.364 -8.833 9.441 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.240 -9.251 8.163 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 2.712 -9.620 7.725 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.829 -8.825 6.512 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 2.831 -7.934 7.554 1.00 1.97 H new ATOM 58 N GLN A 4 2.392 -4.395 8.012 1.00 0.18 N ATOM 59 CA GLN A 4 3.804 -4.179 7.575 1.00 0.15 C ATOM 60 C GLN A 4 4.357 -5.455 6.933 1.00 0.13 C ATOM 61 O GLN A 4 4.252 -6.535 7.481 1.00 0.14 O ATOM 62 CB GLN A 4 4.650 -3.813 8.801 1.00 0.20 C ATOM 63 CG GLN A 4 6.145 -3.939 8.472 1.00 0.21 C ATOM 64 CD GLN A 4 6.977 -3.210 9.528 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.508 -2.951 10.619 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.207 -2.872 9.249 1.00 0.98 N ATOM 0 H GLN A 4 2.283 -4.758 8.959 1.00 0.18 H new ATOM 0 HA GLN A 4 3.840 -3.373 6.842 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.424 -2.794 9.116 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.397 -4.468 9.635 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.430 -4.990 8.435 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.345 -3.519 7.486 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.600 -3.089 8.333 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.774 -2.391 9.947 1.00 0.98 H new ATOM 75 N ILE A 5 4.972 -5.322 5.787 1.00 0.10 N ATOM 76 CA ILE A 5 5.577 -6.498 5.088 1.00 0.10 C ATOM 77 C ILE A 5 7.100 -6.345 5.128 1.00 0.10 C ATOM 78 O ILE A 5 7.659 -5.498 4.460 1.00 0.11 O ATOM 79 CB ILE A 5 5.120 -6.521 3.625 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.625 -6.160 3.515 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.384 -7.901 3.016 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.742 -7.196 4.221 1.00 0.19 C ATOM 0 H ILE A 5 5.083 -4.434 5.297 1.00 0.10 H new ATOM 0 HA ILE A 5 5.267 -7.422 5.577 1.00 0.10 H new ATOM 0 HB ILE A 5 5.690 -5.776 3.070 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.454 -5.176 3.953 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.342 -6.095 2.464 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.056 -7.909 1.976 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.451 -8.121 3.062 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.833 -8.657 3.576 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.695 -6.909 4.123 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.894 -8.175 3.766 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.008 -7.242 5.277 1.00 0.19 H new ATOM 94 N GLU A 6 7.774 -7.143 5.911 1.00 0.11 N ATOM 95 CA GLU A 6 9.263 -7.031 6.004 1.00 0.14 C ATOM 96 C GLU A 6 9.922 -8.105 5.130 1.00 0.14 C ATOM 97 O GLU A 6 11.120 -8.100 4.931 1.00 0.17 O ATOM 98 CB GLU A 6 9.685 -7.234 7.460 1.00 0.18 C ATOM 99 CG GLU A 6 8.771 -6.425 8.381 1.00 0.31 C ATOM 100 CD GLU A 6 9.353 -6.411 9.796 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.281 -7.434 10.456 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.859 -5.376 10.198 1.00 1.96 O ATOM 0 H GLU A 6 7.359 -7.871 6.493 1.00 0.11 H new ATOM 0 HA GLU A 6 9.577 -6.047 5.657 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.634 -8.292 7.719 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.721 -6.922 7.595 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.671 -5.406 8.008 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.772 -6.860 8.392 1.00 0.31 H new ATOM 109 N SER A 7 9.154 -9.024 4.606 1.00 0.13 N ATOM 110 CA SER A 7 9.750 -10.090 3.745 1.00 0.15 C ATOM 111 C SER A 7 8.708 -10.584 2.740 1.00 0.14 C ATOM 112 O SER A 7 7.519 -10.528 2.982 1.00 0.12 O ATOM 113 CB SER A 7 10.211 -11.256 4.620 1.00 0.20 C ATOM 114 OG SER A 7 9.168 -11.617 5.514 1.00 0.23 O ATOM 0 H SER A 7 8.144 -9.083 4.736 1.00 0.13 H new ATOM 0 HA SER A 7 10.605 -9.681 3.206 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.481 -12.108 3.996 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.103 -10.975 5.179 1.00 0.20 H new ATOM 0 HG SER A 7 9.462 -12.365 6.074 1.00 0.23 H new ATOM 120 N LYS A 8 9.149 -11.072 1.613 1.00 0.15 N ATOM 121 CA LYS A 8 8.192 -11.573 0.586 1.00 0.14 C ATOM 122 C LYS A 8 7.217 -12.565 1.229 1.00 0.14 C ATOM 123 O LYS A 8 6.107 -12.744 0.770 1.00 0.13 O ATOM 124 CB LYS A 8 8.974 -12.271 -0.537 1.00 0.17 C ATOM 125 CG LYS A 8 8.093 -12.397 -1.787 1.00 0.21 C ATOM 126 CD LYS A 8 8.654 -13.486 -2.709 1.00 0.22 C ATOM 127 CE LYS A 8 7.819 -13.571 -3.994 1.00 1.06 C ATOM 128 NZ LYS A 8 7.913 -14.950 -4.552 1.00 1.90 N ATOM 0 H LYS A 8 10.134 -11.146 1.358 1.00 0.15 H new ATOM 0 HA LYS A 8 7.629 -10.736 0.173 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.874 -11.704 -0.772 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.297 -13.259 -0.208 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.071 -12.642 -1.499 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.056 -11.444 -2.315 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.693 -13.265 -2.955 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.645 -14.448 -2.196 1.00 0.22 H new ATOM 0 HE2 LYS A 8 6.779 -13.322 -3.783 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.179 -12.846 -4.724 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.348 -15.011 -5.423 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.906 -15.170 -4.767 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 7.550 -15.632 -3.856 1.00 1.90 H new ATOM 142 N THR A 9 7.626 -13.214 2.282 1.00 0.16 N ATOM 143 CA THR A 9 6.728 -14.199 2.947 1.00 0.18 C ATOM 144 C THR A 9 5.442 -13.508 3.403 1.00 0.16 C ATOM 145 O THR A 9 4.350 -13.983 3.159 1.00 0.17 O ATOM 146 CB THR A 9 7.443 -14.797 4.156 1.00 0.21 C ATOM 147 OG1 THR A 9 8.686 -15.349 3.746 1.00 0.24 O ATOM 148 CG2 THR A 9 6.575 -15.891 4.780 1.00 0.25 C ATOM 0 H THR A 9 8.545 -13.105 2.712 1.00 0.16 H new ATOM 0 HA THR A 9 6.475 -14.990 2.241 1.00 0.18 H new ATOM 0 HB THR A 9 7.620 -14.015 4.895 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.146 -15.731 4.522 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.089 -16.315 5.643 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.624 -15.464 5.098 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.393 -16.675 4.045 1.00 0.25 H new ATOM 156 N ALA A 10 5.563 -12.393 4.065 1.00 0.16 N ATOM 157 CA ALA A 10 4.350 -11.671 4.546 1.00 0.17 C ATOM 158 C ALA A 10 3.596 -11.066 3.355 1.00 0.15 C ATOM 159 O ALA A 10 2.411 -10.812 3.430 1.00 0.17 O ATOM 160 CB ALA A 10 4.777 -10.558 5.514 1.00 0.20 C ATOM 0 H ALA A 10 6.451 -11.948 4.295 1.00 0.16 H new ATOM 0 HA ALA A 10 3.690 -12.369 5.061 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.894 -10.026 5.869 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.303 -10.996 6.362 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.437 -9.861 4.998 1.00 0.20 H new ATOM 166 N PHE A 11 4.268 -10.824 2.263 1.00 0.12 N ATOM 167 CA PHE A 11 3.577 -10.224 1.087 1.00 0.11 C ATOM 168 C PHE A 11 2.436 -11.133 0.626 1.00 0.13 C ATOM 169 O PHE A 11 1.280 -10.767 0.689 1.00 0.16 O ATOM 170 CB PHE A 11 4.571 -10.031 -0.064 1.00 0.10 C ATOM 171 CG PHE A 11 3.853 -9.432 -1.254 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.391 -8.105 -1.198 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.647 -10.199 -2.415 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.726 -7.545 -2.303 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.982 -9.637 -3.520 1.00 0.18 C ATOM 176 CZ PHE A 11 2.520 -8.312 -3.463 1.00 0.21 C ATOM 0 H PHE A 11 5.262 -11.015 2.134 1.00 0.12 H new ATOM 0 HA PHE A 11 3.170 -9.256 1.379 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.385 -9.378 0.250 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.017 -10.987 -0.338 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.547 -7.516 -0.306 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.999 -11.219 -2.458 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.373 -6.525 -2.261 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.827 -10.225 -4.413 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.006 -7.882 -4.310 1.00 0.21 H new ATOM 186 N GLN A 12 2.745 -12.311 0.158 1.00 0.15 N ATOM 187 CA GLN A 12 1.668 -13.229 -0.317 1.00 0.19 C ATOM 188 C GLN A 12 0.651 -13.442 0.806 1.00 0.17 C ATOM 189 O GLN A 12 -0.543 -13.388 0.595 1.00 0.16 O ATOM 190 CB GLN A 12 2.285 -14.579 -0.709 1.00 0.24 C ATOM 191 CG GLN A 12 3.001 -14.459 -2.061 1.00 1.21 C ATOM 192 CD GLN A 12 1.975 -14.512 -3.198 1.00 1.77 C ATOM 193 OE1 GLN A 12 0.784 -14.534 -2.957 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.391 -14.536 -4.435 1.00 2.47 N ATOM 0 H GLN A 12 3.694 -12.678 0.083 1.00 0.15 H new ATOM 0 HA GLN A 12 1.170 -12.791 -1.182 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.990 -14.902 0.057 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.507 -15.340 -0.767 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.559 -13.524 -2.106 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.724 -15.267 -2.173 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.391 -14.518 -4.637 1.00 2.47 H new ATOM 0 HE22 GLN A 12 1.717 -14.573 -5.199 1.00 2.47 H new ATOM 203 N GLU A 13 1.119 -13.691 1.995 1.00 0.19 N ATOM 204 CA GLU A 13 0.193 -13.920 3.135 1.00 0.20 C ATOM 205 C GLU A 13 -0.708 -12.697 3.344 1.00 0.18 C ATOM 206 O GLU A 13 -1.867 -12.825 3.683 1.00 0.19 O ATOM 207 CB GLU A 13 1.019 -14.181 4.397 1.00 0.25 C ATOM 208 CG GLU A 13 1.591 -15.603 4.365 1.00 0.30 C ATOM 209 CD GLU A 13 0.480 -16.618 4.644 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.573 -16.205 5.101 1.00 2.03 O ATOM 211 OE2 GLU A 13 0.703 -17.792 4.396 1.00 2.10 O ATOM 0 H GLU A 13 2.111 -13.746 2.227 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.441 -14.781 2.921 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.830 -13.456 4.467 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.397 -14.050 5.282 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.041 -15.801 3.392 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.382 -15.703 5.108 1.00 0.30 H new ATOM 218 N ALA A 14 -0.192 -11.514 3.153 1.00 0.18 N ATOM 219 CA ALA A 14 -1.037 -10.301 3.354 1.00 0.18 C ATOM 220 C ALA A 14 -2.236 -10.351 2.401 1.00 0.18 C ATOM 221 O ALA A 14 -3.362 -10.123 2.791 1.00 0.19 O ATOM 222 CB ALA A 14 -0.209 -9.049 3.072 1.00 0.20 C ATOM 0 H ALA A 14 0.771 -11.334 2.869 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.394 -10.273 4.384 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.827 -8.163 3.219 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.642 -9.015 3.752 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.150 -9.074 2.043 1.00 0.20 H new ATOM 228 N LEU A 15 -1.997 -10.652 1.153 1.00 0.17 N ATOM 229 CA LEU A 15 -3.115 -10.722 0.166 1.00 0.18 C ATOM 230 C LEU A 15 -4.078 -11.845 0.561 1.00 0.18 C ATOM 231 O LEU A 15 -5.280 -11.712 0.456 1.00 0.18 O ATOM 232 CB LEU A 15 -2.540 -10.992 -1.230 1.00 0.19 C ATOM 233 CG LEU A 15 -1.272 -10.155 -1.438 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.812 -10.273 -2.894 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.557 -8.684 -1.110 1.00 0.62 C ATOM 0 H LEU A 15 -1.072 -10.853 0.772 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.657 -9.777 0.156 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.310 -12.052 -1.340 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.279 -10.745 -1.992 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.488 -10.525 -0.777 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.089 -9.678 -3.040 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.599 -11.317 -3.125 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.599 -9.909 -3.555 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.652 -8.096 -1.260 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.345 -8.311 -1.765 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.877 -8.598 -0.072 1.00 0.62 H new ATOM 247 N ASP A 16 -3.559 -12.953 1.015 1.00 0.19 N ATOM 248 CA ASP A 16 -4.445 -14.081 1.414 1.00 0.21 C ATOM 249 C ASP A 16 -5.303 -13.665 2.612 1.00 0.20 C ATOM 250 O ASP A 16 -6.472 -13.988 2.688 1.00 0.20 O ATOM 251 CB ASP A 16 -3.587 -15.289 1.795 1.00 0.24 C ATOM 252 CG ASP A 16 -4.494 -16.487 2.082 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.088 -16.993 1.145 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.578 -16.877 3.235 1.00 1.09 O ATOM 0 H ASP A 16 -2.560 -13.125 1.127 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.096 -14.343 0.580 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.896 -15.528 0.986 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.983 -15.058 2.672 1.00 0.24 H new ATOM 259 N ALA A 17 -4.735 -12.957 3.550 1.00 0.22 N ATOM 260 CA ALA A 17 -5.522 -12.531 4.744 1.00 0.24 C ATOM 261 C ALA A 17 -6.391 -11.321 4.390 1.00 0.21 C ATOM 262 O ALA A 17 -7.314 -10.983 5.103 1.00 0.22 O ATOM 263 CB ALA A 17 -4.564 -12.154 5.876 1.00 0.30 C ATOM 0 H ALA A 17 -3.761 -12.655 3.542 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.163 -13.353 5.063 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.137 -11.842 6.749 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.949 -13.016 6.134 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.922 -11.335 5.552 1.00 0.30 H new ATOM 269 N ALA A 18 -6.109 -10.668 3.297 1.00 0.21 N ATOM 270 CA ALA A 18 -6.927 -9.484 2.905 1.00 0.22 C ATOM 271 C ALA A 18 -8.332 -9.941 2.494 1.00 0.21 C ATOM 272 O ALA A 18 -9.206 -9.136 2.245 1.00 0.24 O ATOM 273 CB ALA A 18 -6.254 -8.761 1.734 1.00 0.23 C ATOM 0 H ALA A 18 -5.349 -10.902 2.658 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.006 -8.802 3.752 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.852 -7.896 1.448 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.259 -8.431 2.033 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.171 -9.441 0.886 1.00 0.23 H new ATOM 279 N GLY A 19 -8.556 -11.224 2.420 1.00 0.22 N ATOM 280 CA GLY A 19 -9.905 -11.722 2.020 1.00 0.24 C ATOM 281 C GLY A 19 -10.167 -11.351 0.558 1.00 0.20 C ATOM 282 O GLY A 19 -9.533 -11.868 -0.341 1.00 0.28 O ATOM 0 H GLY A 19 -7.866 -11.949 2.618 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.959 -12.803 2.148 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.671 -11.286 2.661 1.00 0.24 H new ATOM 286 N ASP A 20 -11.095 -10.458 0.311 1.00 0.13 N ATOM 287 CA ASP A 20 -11.401 -10.048 -1.098 1.00 0.18 C ATOM 288 C ASP A 20 -11.576 -8.527 -1.159 1.00 0.15 C ATOM 289 O ASP A 20 -11.896 -7.971 -2.192 1.00 0.22 O ATOM 290 CB ASP A 20 -12.690 -10.740 -1.558 1.00 0.26 C ATOM 291 CG ASP A 20 -13.119 -10.191 -2.921 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.247 -9.917 -3.728 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.314 -10.055 -3.134 1.00 2.21 O ATOM 0 H ASP A 20 -11.656 -9.994 1.026 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.581 -10.341 -1.754 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.532 -11.816 -1.623 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.481 -10.578 -0.826 1.00 0.26 H new ATOM 298 N LYS A 21 -11.353 -7.845 -0.069 1.00 0.12 N ATOM 299 CA LYS A 21 -11.491 -6.362 -0.078 1.00 0.19 C ATOM 300 C LYS A 21 -10.343 -5.764 -0.891 1.00 0.15 C ATOM 301 O LYS A 21 -9.391 -6.440 -1.226 1.00 0.15 O ATOM 302 CB LYS A 21 -11.439 -5.843 1.364 1.00 0.27 C ATOM 303 CG LYS A 21 -12.814 -6.024 2.022 1.00 0.29 C ATOM 304 CD LYS A 21 -12.672 -5.949 3.545 1.00 0.30 C ATOM 305 CE LYS A 21 -14.048 -5.752 4.189 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.987 -6.151 5.623 1.00 1.90 N ATOM 0 H LYS A 21 -11.081 -8.251 0.827 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.442 -6.074 -0.527 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.679 -6.383 1.929 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.155 -4.791 1.373 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.499 -5.252 1.673 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.242 -6.984 1.734 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.212 -6.863 3.921 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.012 -5.125 3.817 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.356 -4.710 4.103 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.795 -6.349 3.666 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.921 -6.017 6.061 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.711 -7.151 5.694 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.286 -5.563 6.117 1.00 1.90 H new ATOM 320 N LEU A 22 -10.425 -4.505 -1.221 1.00 0.13 N ATOM 321 CA LEU A 22 -9.339 -3.886 -2.020 1.00 0.11 C ATOM 322 C LEU A 22 -8.033 -3.947 -1.216 1.00 0.10 C ATOM 323 O LEU A 22 -8.048 -4.114 -0.013 1.00 0.11 O ATOM 324 CB LEU A 22 -9.713 -2.421 -2.329 1.00 0.12 C ATOM 325 CG LEU A 22 -9.466 -2.078 -3.807 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.744 -0.586 -4.022 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.013 -2.382 -4.197 1.00 0.11 C ATOM 0 H LEU A 22 -11.194 -3.883 -0.972 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.204 -4.422 -2.959 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.762 -2.253 -2.085 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.128 -1.753 -1.696 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.128 -2.682 -4.428 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.572 -0.331 -5.068 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.779 -0.367 -3.761 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.079 0.003 -3.391 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.858 -2.133 -5.247 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.339 -1.788 -3.580 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.809 -3.441 -4.042 1.00 0.11 H new ATOM 339 N VAL A 23 -6.906 -3.814 -1.870 1.00 0.08 N ATOM 340 CA VAL A 23 -5.601 -3.866 -1.144 1.00 0.09 C ATOM 341 C VAL A 23 -4.619 -2.876 -1.776 1.00 0.08 C ATOM 342 O VAL A 23 -4.135 -3.086 -2.868 1.00 0.09 O ATOM 343 CB VAL A 23 -5.020 -5.280 -1.241 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.858 -5.420 -0.256 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.107 -6.304 -0.902 1.00 0.10 C ATOM 0 H VAL A 23 -6.834 -3.671 -2.877 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.761 -3.603 -0.098 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.660 -5.458 -2.254 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.443 -6.426 -0.323 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.085 -4.691 -0.500 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.217 -5.243 0.758 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.693 -7.310 -0.971 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.468 -6.129 0.111 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.934 -6.203 -1.605 1.00 0.10 H new ATOM 355 N VAL A 24 -4.315 -1.801 -1.086 1.00 0.08 N ATOM 356 CA VAL A 24 -3.351 -0.790 -1.626 1.00 0.08 C ATOM 357 C VAL A 24 -2.024 -0.921 -0.877 1.00 0.08 C ATOM 358 O VAL A 24 -1.993 -1.031 0.331 1.00 0.08 O ATOM 359 CB VAL A 24 -3.921 0.617 -1.430 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.178 1.610 -2.330 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.407 0.618 -1.788 1.00 0.09 C ATOM 0 H VAL A 24 -4.696 -1.580 -0.166 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.190 -0.962 -2.690 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.795 0.914 -0.389 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.588 2.609 -2.186 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.119 1.612 -2.073 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.297 1.316 -3.373 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.814 1.619 -1.649 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.531 0.317 -2.828 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.937 -0.082 -1.142 1.00 0.09 H new ATOM 371 N VAL A 25 -0.930 -0.921 -1.594 1.00 0.09 N ATOM 372 CA VAL A 25 0.413 -1.061 -0.950 1.00 0.09 C ATOM 373 C VAL A 25 1.174 0.257 -1.064 1.00 0.10 C ATOM 374 O VAL A 25 1.217 0.868 -2.111 1.00 0.17 O ATOM 375 CB VAL A 25 1.212 -2.150 -1.674 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.413 -2.564 -0.819 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.321 -3.370 -1.926 1.00 0.09 C ATOM 0 H VAL A 25 -0.909 -0.829 -2.610 1.00 0.09 H new ATOM 0 HA VAL A 25 0.282 -1.326 0.099 1.00 0.09 H new ATOM 0 HB VAL A 25 1.563 -1.757 -2.628 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.979 -3.338 -1.337 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.054 -1.699 -0.649 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.062 -2.950 0.138 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.896 -4.140 -2.441 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.038 -3.761 -0.974 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.529 -3.078 -2.543 1.00 0.09 H new ATOM 387 N ASP A 26 1.788 0.687 0.003 1.00 0.08 N ATOM 388 CA ASP A 26 2.569 1.958 -0.023 1.00 0.08 C ATOM 389 C ASP A 26 4.065 1.630 -0.017 1.00 0.08 C ATOM 390 O ASP A 26 4.634 1.316 1.009 1.00 0.09 O ATOM 391 CB ASP A 26 2.220 2.788 1.215 1.00 0.09 C ATOM 392 CG ASP A 26 3.129 4.017 1.291 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.805 5.010 0.661 1.00 0.93 O ATOM 394 OD2 ASP A 26 4.133 3.945 1.981 1.00 0.96 O ATOM 0 H ASP A 26 1.782 0.207 0.903 1.00 0.08 H new ATOM 0 HA ASP A 26 2.325 2.525 -0.921 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.176 3.099 1.173 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.336 2.183 2.114 1.00 0.09 H new ATOM 399 N PHE A 27 4.709 1.712 -1.150 1.00 0.08 N ATOM 400 CA PHE A 27 6.169 1.418 -1.203 1.00 0.09 C ATOM 401 C PHE A 27 6.918 2.707 -0.867 1.00 0.11 C ATOM 402 O PHE A 27 7.411 3.392 -1.740 1.00 0.13 O ATOM 403 CB PHE A 27 6.549 0.980 -2.620 1.00 0.10 C ATOM 404 CG PHE A 27 6.185 -0.473 -2.846 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.863 -0.833 -3.157 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.182 -1.461 -2.770 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.537 -2.183 -3.386 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.856 -2.809 -3.001 1.00 0.21 C ATOM 409 CZ PHE A 27 5.533 -3.168 -3.311 1.00 0.23 C ATOM 0 H PHE A 27 4.286 1.970 -2.042 1.00 0.08 H new ATOM 0 HA PHE A 27 6.423 0.625 -0.499 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.036 1.606 -3.350 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.619 1.121 -2.775 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.097 -0.074 -3.220 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.199 -1.184 -2.534 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.520 -2.461 -3.620 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.622 -3.568 -2.940 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.283 -4.203 -3.492 1.00 0.23 H new ATOM 419 N SER A 28 6.983 3.046 0.394 1.00 0.11 N ATOM 420 CA SER A 28 7.678 4.300 0.818 1.00 0.12 C ATOM 421 C SER A 28 8.921 3.947 1.632 1.00 0.10 C ATOM 422 O SER A 28 8.946 2.964 2.347 1.00 0.11 O ATOM 423 CB SER A 28 6.730 5.121 1.689 1.00 0.17 C ATOM 424 OG SER A 28 5.623 5.546 0.906 1.00 1.03 O ATOM 0 H SER A 28 6.580 2.502 1.157 1.00 0.11 H new ATOM 0 HA SER A 28 7.970 4.872 -0.063 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.385 4.525 2.534 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.252 5.985 2.101 1.00 0.17 H new ATOM 0 HG SER A 28 4.807 5.512 1.448 1.00 1.03 H new ATOM 430 N ALA A 29 9.944 4.752 1.553 1.00 0.10 N ATOM 431 CA ALA A 29 11.176 4.479 2.346 1.00 0.15 C ATOM 432 C ALA A 29 11.052 5.199 3.692 1.00 0.18 C ATOM 433 O ALA A 29 10.814 6.389 3.751 1.00 0.26 O ATOM 434 CB ALA A 29 12.399 4.990 1.574 1.00 0.19 C ATOM 0 H ALA A 29 9.980 5.590 0.972 1.00 0.10 H new ATOM 0 HA ALA A 29 11.296 3.409 2.516 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.302 4.792 2.151 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.463 4.479 0.613 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.302 6.063 1.408 1.00 0.19 H new ATOM 440 N THR A 30 11.185 4.482 4.773 1.00 0.18 N ATOM 441 CA THR A 30 11.044 5.121 6.113 1.00 0.23 C ATOM 442 C THR A 30 12.167 6.136 6.345 1.00 0.26 C ATOM 443 O THR A 30 12.026 7.058 7.124 1.00 0.31 O ATOM 444 CB THR A 30 11.095 4.041 7.200 1.00 0.26 C ATOM 445 OG1 THR A 30 10.870 4.643 8.467 1.00 0.32 O ATOM 446 CG2 THR A 30 12.465 3.359 7.194 1.00 0.28 C ATOM 0 H THR A 30 11.385 3.482 4.787 1.00 0.18 H new ATOM 0 HA THR A 30 10.088 5.643 6.155 1.00 0.23 H new ATOM 0 HB THR A 30 10.325 3.294 7.004 1.00 0.26 H new ATOM 0 HG1 THR A 30 10.900 3.956 9.165 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.494 2.593 7.969 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.638 2.898 6.222 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.241 4.100 7.387 1.00 0.28 H new ATOM 454 N TRP A 31 13.284 5.978 5.689 1.00 0.26 N ATOM 455 CA TRP A 31 14.415 6.936 5.890 1.00 0.32 C ATOM 456 C TRP A 31 14.305 8.099 4.901 1.00 0.32 C ATOM 457 O TRP A 31 15.000 9.087 5.015 1.00 0.36 O ATOM 458 CB TRP A 31 15.740 6.202 5.663 1.00 0.34 C ATOM 459 CG TRP A 31 15.853 5.799 4.230 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.512 4.586 3.736 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.325 6.588 3.101 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.747 4.579 2.371 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.243 5.791 1.929 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.807 7.906 2.977 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.631 6.285 0.679 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.196 8.409 1.723 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.105 7.602 0.575 1.00 0.40 C ATOM 0 H TRP A 31 13.465 5.228 5.022 1.00 0.26 H new ATOM 0 HA TRP A 31 14.374 7.330 6.906 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.575 6.847 5.936 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.794 5.322 6.304 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.121 3.760 4.311 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.575 3.777 1.765 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.878 8.535 3.852 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.566 5.658 -0.198 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.567 9.420 1.641 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.400 7.996 -0.387 1.00 0.40 H new ATOM 478 N CYS A 32 13.445 7.986 3.926 1.00 0.28 N ATOM 479 CA CYS A 32 13.306 9.074 2.913 1.00 0.30 C ATOM 480 C CYS A 32 12.167 10.015 3.315 1.00 0.31 C ATOM 481 O CYS A 32 11.044 9.603 3.527 1.00 0.29 O ATOM 482 CB CYS A 32 13.029 8.434 1.551 1.00 0.28 C ATOM 483 SG CYS A 32 13.534 9.561 0.227 1.00 0.32 S ATOM 0 H CYS A 32 12.830 7.185 3.786 1.00 0.28 H new ATOM 0 HA CYS A 32 14.223 9.661 2.857 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.571 7.492 1.465 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.968 8.201 1.458 1.00 0.28 H new ATOM 488 N GLY A 33 12.470 11.278 3.446 1.00 0.34 N ATOM 489 CA GLY A 33 11.444 12.273 3.863 1.00 0.36 C ATOM 490 C GLY A 33 10.272 12.324 2.871 1.00 0.35 C ATOM 491 O GLY A 33 9.153 12.052 3.249 1.00 0.33 O ATOM 0 H GLY A 33 13.398 11.667 3.279 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.071 12.019 4.855 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.902 13.259 3.938 1.00 0.36 H new ATOM 495 N PRO A 34 10.546 12.706 1.643 1.00 0.37 N ATOM 496 CA PRO A 34 9.492 12.843 0.613 1.00 0.38 C ATOM 497 C PRO A 34 8.545 11.637 0.616 1.00 0.35 C ATOM 498 O PRO A 34 7.353 11.779 0.432 1.00 0.36 O ATOM 499 CB PRO A 34 10.270 12.970 -0.716 1.00 0.42 C ATOM 500 CG PRO A 34 11.747 13.270 -0.347 1.00 0.44 C ATOM 501 CD PRO A 34 11.911 13.015 1.166 1.00 0.40 C ATOM 0 HA PRO A 34 8.846 13.703 0.788 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.196 12.050 -1.296 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.856 13.769 -1.331 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.422 12.632 -0.918 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.001 14.302 -0.591 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.594 12.187 1.357 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.320 13.889 1.673 1.00 0.40 H new ATOM 509 N ALA A 35 9.045 10.458 0.834 1.00 0.33 N ATOM 510 CA ALA A 35 8.137 9.274 0.857 1.00 0.32 C ATOM 511 C ALA A 35 7.397 9.256 2.195 1.00 0.39 C ATOM 512 O ALA A 35 6.184 9.289 2.252 1.00 0.81 O ATOM 513 CB ALA A 35 8.967 7.997 0.695 1.00 0.36 C ATOM 0 H ALA A 35 10.032 10.259 0.996 1.00 0.33 H new ATOM 0 HA ALA A 35 7.416 9.330 0.041 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.307 7.130 0.711 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.502 8.028 -0.254 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.684 7.923 1.513 1.00 0.36 H new ATOM 519 N LYS A 36 8.129 9.223 3.270 1.00 0.30 N ATOM 520 CA LYS A 36 7.503 9.222 4.621 1.00 0.28 C ATOM 521 C LYS A 36 6.644 10.479 4.801 1.00 0.24 C ATOM 522 O LYS A 36 5.770 10.530 5.643 1.00 0.25 O ATOM 523 CB LYS A 36 8.627 9.214 5.664 1.00 0.35 C ATOM 524 CG LYS A 36 8.053 8.891 7.046 1.00 0.38 C ATOM 525 CD LYS A 36 9.157 8.997 8.127 1.00 0.49 C ATOM 526 CE LYS A 36 9.383 7.636 8.802 1.00 1.22 C ATOM 527 NZ LYS A 36 8.197 7.290 9.635 1.00 1.92 N ATOM 0 H LYS A 36 9.149 9.196 3.271 1.00 0.30 H new ATOM 0 HA LYS A 36 6.866 8.346 4.739 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.382 8.476 5.392 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.123 10.184 5.684 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.240 9.578 7.279 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.631 7.886 7.046 1.00 0.38 H new ATOM 0 HD2 LYS A 36 10.086 9.343 7.674 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.872 9.737 8.875 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.547 6.867 8.047 1.00 1.22 H new ATOM 0 HE3 LYS A 36 10.279 7.670 9.422 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.510 6.808 10.502 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.685 8.159 9.888 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.567 6.661 9.098 1.00 1.92 H new ATOM 541 N MET A 37 6.901 11.496 4.029 1.00 0.23 N ATOM 542 CA MET A 37 6.122 12.761 4.162 1.00 0.24 C ATOM 543 C MET A 37 4.640 12.512 3.883 1.00 0.20 C ATOM 544 O MET A 37 3.791 13.286 4.275 1.00 0.20 O ATOM 545 CB MET A 37 6.660 13.791 3.154 1.00 0.29 C ATOM 546 CG MET A 37 6.041 15.175 3.407 1.00 1.31 C ATOM 547 SD MET A 37 4.441 15.292 2.568 1.00 2.12 S ATOM 548 CE MET A 37 4.163 17.055 2.866 1.00 3.13 C ATOM 0 H MET A 37 7.621 11.507 3.307 1.00 0.23 H new ATOM 0 HA MET A 37 6.229 13.136 5.180 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.745 13.853 3.234 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.433 13.466 2.139 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.914 15.337 4.477 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.710 15.955 3.044 1.00 1.31 H new ATOM 0 HE1 MET A 37 3.212 17.353 2.425 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.141 17.243 3.939 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.969 17.632 2.413 1.00 3.13 H new ATOM 558 N ILE A 38 4.322 11.457 3.174 1.00 0.18 N ATOM 559 CA ILE A 38 2.893 11.184 2.821 1.00 0.15 C ATOM 560 C ILE A 38 2.259 10.172 3.783 1.00 0.16 C ATOM 561 O ILE A 38 1.174 9.680 3.545 1.00 0.16 O ATOM 562 CB ILE A 38 2.837 10.620 1.393 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.867 11.360 0.528 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.427 10.810 0.805 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.700 10.970 -0.950 1.00 0.28 C ATOM 0 H ILE A 38 4.991 10.772 2.824 1.00 0.18 H new ATOM 0 HA ILE A 38 2.335 12.118 2.894 1.00 0.15 H new ATOM 0 HB ILE A 38 3.065 9.554 1.410 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.743 12.437 0.643 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.875 11.118 0.864 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.398 10.407 -0.207 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.700 10.286 1.426 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.183 11.872 0.780 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.437 11.502 -1.552 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.847 9.896 -1.062 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.697 11.235 -1.285 1.00 0.28 H new ATOM 577 N LYS A 39 2.907 9.831 4.864 1.00 0.19 N ATOM 578 CA LYS A 39 2.285 8.831 5.770 1.00 0.22 C ATOM 579 C LYS A 39 0.989 9.337 6.422 1.00 0.20 C ATOM 580 O LYS A 39 0.112 8.539 6.671 1.00 0.21 O ATOM 581 CB LYS A 39 3.271 8.330 6.854 1.00 0.31 C ATOM 582 CG LYS A 39 3.394 9.304 8.052 1.00 0.34 C ATOM 583 CD LYS A 39 3.922 8.578 9.295 1.00 0.45 C ATOM 584 CE LYS A 39 5.124 7.710 8.935 1.00 1.16 C ATOM 585 NZ LYS A 39 4.651 6.386 8.447 1.00 1.62 N ATOM 0 H LYS A 39 3.817 10.192 5.152 1.00 0.19 H new ATOM 0 HA LYS A 39 2.022 7.988 5.131 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.941 7.356 7.216 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.254 8.187 6.406 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.064 10.123 7.792 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.421 9.745 8.269 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.206 9.305 10.055 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.134 7.959 9.724 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.723 8.200 8.167 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.766 7.580 9.806 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.192 5.630 8.914 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.641 6.275 8.668 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.789 6.326 7.418 1.00 1.62 H new ATOM 599 N PRO A 40 0.884 10.610 6.750 1.00 0.20 N ATOM 600 CA PRO A 40 -0.316 11.084 7.459 1.00 0.21 C ATOM 601 C PRO A 40 -1.572 10.878 6.606 1.00 0.17 C ATOM 602 O PRO A 40 -2.679 11.024 7.079 1.00 0.20 O ATOM 603 CB PRO A 40 -0.058 12.578 7.731 1.00 0.24 C ATOM 604 CG PRO A 40 1.359 12.914 7.204 1.00 0.25 C ATOM 605 CD PRO A 40 1.875 11.678 6.444 1.00 0.21 C ATOM 0 HA PRO A 40 -0.491 10.533 8.383 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.807 13.193 7.232 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.130 12.791 8.798 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.328 13.783 6.547 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.026 13.163 8.029 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.935 11.868 5.372 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.875 11.398 6.775 1.00 0.21 H new ATOM 613 N PHE A 41 -1.405 10.555 5.351 1.00 0.14 N ATOM 614 CA PHE A 41 -2.585 10.352 4.455 1.00 0.14 C ATOM 615 C PHE A 41 -2.825 8.857 4.243 1.00 0.11 C ATOM 616 O PHE A 41 -3.790 8.300 4.721 1.00 0.13 O ATOM 617 CB PHE A 41 -2.301 11.018 3.104 1.00 0.15 C ATOM 618 CG PHE A 41 -2.533 12.504 3.221 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.531 13.328 3.759 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.751 13.060 2.794 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.749 14.714 3.870 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.969 14.444 2.904 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.967 15.272 3.441 1.00 0.27 C ATOM 0 H PHE A 41 -0.498 10.422 4.904 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.471 10.794 4.911 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.273 10.822 2.798 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.948 10.597 2.335 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.596 12.899 4.087 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.520 12.424 2.381 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.981 15.350 4.285 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.905 14.871 2.576 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.133 16.336 3.524 1.00 0.27 H new ATOM 633 N PHE A 42 -1.959 8.212 3.517 1.00 0.10 N ATOM 634 CA PHE A 42 -2.134 6.758 3.241 1.00 0.11 C ATOM 635 C PHE A 42 -2.512 6.011 4.526 1.00 0.11 C ATOM 636 O PHE A 42 -3.489 5.290 4.569 1.00 0.12 O ATOM 637 CB PHE A 42 -0.823 6.204 2.677 1.00 0.13 C ATOM 638 CG PHE A 42 -0.932 4.709 2.494 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.712 4.194 1.451 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.243 3.835 3.356 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.810 2.808 1.267 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.342 2.445 3.173 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.126 1.931 2.127 1.00 0.10 C ATOM 0 H PHE A 42 -1.129 8.632 3.098 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.937 6.618 2.518 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.598 6.680 1.723 1.00 0.13 H new ATOM 0 HB3 PHE A 42 0.000 6.437 3.352 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.238 4.865 0.788 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.362 4.232 4.158 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.412 2.413 0.463 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.184 1.773 3.835 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.203 0.863 1.984 1.00 0.10 H new ATOM 653 N HIS A 43 -1.751 6.176 5.570 1.00 0.14 N ATOM 654 CA HIS A 43 -2.073 5.475 6.847 1.00 0.16 C ATOM 655 C HIS A 43 -3.369 6.040 7.444 1.00 0.16 C ATOM 656 O HIS A 43 -4.132 5.326 8.064 1.00 0.18 O ATOM 657 CB HIS A 43 -0.896 5.642 7.828 1.00 0.21 C ATOM 658 CG HIS A 43 -1.371 5.557 9.253 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.956 6.489 10.075 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -1.301 4.387 9.993 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -2.250 5.909 11.305 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.835 4.641 11.202 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.919 6.766 5.596 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.225 4.413 6.657 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.150 4.870 7.642 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.409 6.603 7.659 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.893 3.444 9.660 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.713 6.381 12.159 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.914 3.951 11.949 1.00 0.39 H new ATOM 670 N SER A 44 -3.625 7.306 7.274 1.00 0.20 N ATOM 671 CA SER A 44 -4.874 7.887 7.848 1.00 0.25 C ATOM 672 C SER A 44 -6.091 7.190 7.235 1.00 0.20 C ATOM 673 O SER A 44 -7.056 6.898 7.913 1.00 0.21 O ATOM 674 CB SER A 44 -4.934 9.385 7.544 1.00 0.34 C ATOM 675 OG SER A 44 -6.290 9.812 7.537 1.00 0.97 O ATOM 0 H SER A 44 -3.030 7.961 6.767 1.00 0.20 H new ATOM 0 HA SER A 44 -4.877 7.739 8.928 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.370 9.942 8.292 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.472 9.590 6.578 1.00 0.34 H new ATOM 0 HG SER A 44 -6.330 10.772 7.344 1.00 0.97 H new ATOM 681 N LEU A 45 -6.054 6.920 5.959 1.00 0.18 N ATOM 682 CA LEU A 45 -7.212 6.243 5.308 1.00 0.18 C ATOM 683 C LEU A 45 -7.553 4.960 6.066 1.00 0.16 C ATOM 684 O LEU A 45 -8.635 4.423 5.940 1.00 0.23 O ATOM 685 CB LEU A 45 -6.857 5.898 3.857 1.00 0.19 C ATOM 686 CG LEU A 45 -6.476 7.172 3.091 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.059 6.798 1.665 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.671 8.143 3.044 1.00 0.50 C ATOM 0 H LEU A 45 -5.274 7.138 5.340 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.073 6.912 5.323 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.029 5.190 3.835 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.704 5.413 3.373 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.646 7.662 3.601 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.787 7.700 1.117 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.203 6.124 1.701 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.889 6.303 1.161 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.387 9.043 2.498 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.510 7.663 2.541 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.962 8.412 4.060 1.00 0.50 H new ATOM 700 N SER A 46 -6.640 4.462 6.851 1.00 0.20 N ATOM 701 CA SER A 46 -6.915 3.214 7.614 1.00 0.25 C ATOM 702 C SER A 46 -8.177 3.390 8.459 1.00 0.17 C ATOM 703 O SER A 46 -8.950 2.469 8.634 1.00 0.15 O ATOM 704 CB SER A 46 -5.731 2.905 8.528 1.00 0.36 C ATOM 705 OG SER A 46 -4.545 2.828 7.747 1.00 0.51 O ATOM 0 H SER A 46 -5.715 4.866 6.997 1.00 0.20 H new ATOM 0 HA SER A 46 -7.062 2.391 6.915 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.631 3.680 9.288 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.897 1.964 9.053 1.00 0.36 H new ATOM 0 HG SER A 46 -4.266 3.730 7.486 1.00 0.51 H new ATOM 711 N GLU A 47 -8.389 4.564 8.998 1.00 0.21 N ATOM 712 CA GLU A 47 -9.595 4.796 9.849 1.00 0.21 C ATOM 713 C GLU A 47 -10.731 5.380 9.004 1.00 0.18 C ATOM 714 O GLU A 47 -11.874 5.390 9.415 1.00 0.18 O ATOM 715 CB GLU A 47 -9.237 5.766 10.982 1.00 0.32 C ATOM 716 CG GLU A 47 -7.849 5.415 11.527 1.00 0.39 C ATOM 717 CD GLU A 47 -7.624 6.122 12.866 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.585 6.287 13.598 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.490 6.482 13.140 1.00 1.98 O ATOM 0 H GLU A 47 -7.778 5.373 8.885 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.925 3.847 10.272 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.248 6.792 10.615 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.979 5.704 11.778 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.761 4.336 11.656 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.081 5.715 10.813 1.00 0.39 H new ATOM 726 N LYS A 48 -10.435 5.859 7.826 1.00 0.18 N ATOM 727 CA LYS A 48 -11.512 6.429 6.962 1.00 0.17 C ATOM 728 C LYS A 48 -12.101 5.306 6.105 1.00 0.15 C ATOM 729 O LYS A 48 -13.214 5.396 5.626 1.00 0.18 O ATOM 730 CB LYS A 48 -10.923 7.518 6.054 1.00 0.21 C ATOM 731 CG LYS A 48 -12.046 8.411 5.510 1.00 0.26 C ATOM 732 CD LYS A 48 -11.526 9.225 4.322 1.00 1.09 C ATOM 733 CE LYS A 48 -12.549 10.301 3.946 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.852 9.655 3.621 1.00 2.16 N ATOM 0 H LYS A 48 -9.498 5.881 7.424 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.292 6.869 7.583 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.206 8.120 6.612 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.379 7.060 5.228 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.893 7.799 5.201 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.404 9.080 6.293 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.573 9.689 4.576 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.345 8.569 3.471 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.674 11.003 4.771 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.192 10.875 3.091 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.458 10.331 3.113 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.686 8.821 3.022 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -14.323 9.361 4.501 1.00 2.16 H new ATOM 748 N TYR A 49 -11.357 4.243 5.922 1.00 0.13 N ATOM 749 CA TYR A 49 -11.853 3.090 5.109 1.00 0.13 C ATOM 750 C TYR A 49 -11.534 1.785 5.839 1.00 0.11 C ATOM 751 O TYR A 49 -10.704 1.010 5.408 1.00 0.11 O ATOM 752 CB TYR A 49 -11.165 3.095 3.737 1.00 0.15 C ATOM 753 CG TYR A 49 -11.809 4.139 2.856 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.114 3.933 2.385 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.112 5.314 2.515 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.728 4.896 1.571 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.728 6.281 1.701 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.036 6.072 1.228 1.00 0.21 C ATOM 759 OH TYR A 49 -13.643 7.022 0.431 1.00 0.24 O ATOM 0 H TYR A 49 -10.419 4.124 6.305 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.931 3.176 4.970 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.102 3.306 3.852 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.247 2.112 3.274 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.647 3.032 2.650 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.107 5.472 2.878 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.732 4.735 1.207 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.197 7.184 1.439 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.028 7.772 0.291 1.00 0.24 H new ATOM 769 N SER A 50 -12.191 1.528 6.936 1.00 0.12 N ATOM 770 CA SER A 50 -11.923 0.267 7.677 1.00 0.13 C ATOM 771 C SER A 50 -12.371 -0.917 6.819 1.00 0.13 C ATOM 772 O SER A 50 -12.203 -2.063 7.183 1.00 0.14 O ATOM 773 CB SER A 50 -12.696 0.270 8.997 1.00 0.16 C ATOM 774 OG SER A 50 -14.077 0.473 8.732 1.00 0.17 O ATOM 0 H SER A 50 -12.899 2.135 7.349 1.00 0.12 H new ATOM 0 HA SER A 50 -10.857 0.184 7.891 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.549 -0.675 9.520 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.320 1.057 9.650 1.00 0.16 H new ATOM 0 HG SER A 50 -14.575 0.474 9.576 1.00 0.17 H new ATOM 780 N ASN A 51 -12.943 -0.640 5.673 1.00 0.13 N ATOM 781 CA ASN A 51 -13.411 -1.733 4.770 1.00 0.15 C ATOM 782 C ASN A 51 -12.342 -2.006 3.706 1.00 0.13 C ATOM 783 O ASN A 51 -12.490 -2.880 2.876 1.00 0.14 O ATOM 784 CB ASN A 51 -14.712 -1.300 4.087 1.00 0.17 C ATOM 785 CG ASN A 51 -15.227 -2.429 3.191 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.714 -2.589 2.002 1.00 0.34 O flip ATOM 787 ND2 ASN A 51 -16.107 -3.172 3.577 1.00 0.32 N flip ATOM 0 H ASN A 51 -13.106 0.304 5.323 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.586 -2.639 5.350 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.461 -1.048 4.838 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.541 -0.402 3.494 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.508 -3.047 4.506 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.444 -3.920 2.972 1.00 0.32 H new ATOM 794 N VAL A 52 -11.264 -1.262 3.733 1.00 0.11 N ATOM 795 CA VAL A 52 -10.167 -1.462 2.732 1.00 0.10 C ATOM 796 C VAL A 52 -8.913 -1.959 3.454 1.00 0.10 C ATOM 797 O VAL A 52 -8.687 -1.642 4.605 1.00 0.11 O ATOM 798 CB VAL A 52 -9.857 -0.124 2.053 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.693 -0.300 1.072 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.102 0.367 1.304 1.00 0.12 C ATOM 0 H VAL A 52 -11.094 -0.519 4.410 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.478 -2.193 1.985 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.577 0.611 2.807 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.475 0.654 0.591 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.811 -0.644 1.612 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.964 -1.035 0.314 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.884 1.319 0.820 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.386 -0.367 0.550 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.923 0.498 2.009 1.00 0.12 H new ATOM 810 N ILE A 53 -8.099 -2.740 2.789 1.00 0.09 N ATOM 811 CA ILE A 53 -6.854 -3.267 3.434 1.00 0.09 C ATOM 812 C ILE A 53 -5.650 -2.443 2.957 1.00 0.09 C ATOM 813 O ILE A 53 -5.449 -2.255 1.775 1.00 0.14 O ATOM 814 CB ILE A 53 -6.660 -4.737 3.034 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.010 -5.476 3.071 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.651 -5.417 3.974 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.705 -5.308 4.427 1.00 0.17 C ATOM 0 H ILE A 53 -8.242 -3.037 1.824 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.940 -3.193 4.518 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.267 -4.777 2.018 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.656 -5.095 2.280 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.852 -6.536 2.871 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.523 -6.458 3.679 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.692 -4.902 3.912 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -6.021 -5.373 4.998 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.655 -5.842 4.418 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.069 -5.712 5.214 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.886 -4.250 4.614 1.00 0.17 H new ATOM 829 N PHE A 54 -4.855 -1.949 3.872 1.00 0.08 N ATOM 830 CA PHE A 54 -3.659 -1.127 3.495 1.00 0.08 C ATOM 831 C PHE A 54 -2.382 -1.861 3.905 1.00 0.08 C ATOM 832 O PHE A 54 -2.274 -2.368 5.002 1.00 0.11 O ATOM 833 CB PHE A 54 -3.726 0.211 4.231 1.00 0.08 C ATOM 834 CG PHE A 54 -4.942 0.977 3.765 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.962 1.528 2.473 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.049 1.141 4.618 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.088 2.244 2.032 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.175 1.859 4.175 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.193 2.410 2.882 1.00 0.09 C ATOM 0 H PHE A 54 -4.983 -2.080 4.875 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.652 -0.962 2.418 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.777 0.045 5.307 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.822 0.790 4.040 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.112 1.401 1.819 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.034 0.717 5.611 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.103 2.667 1.038 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.025 1.987 4.828 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.057 2.961 2.542 1.00 0.09 H new ATOM 849 N LEU A 55 -1.413 -1.920 3.026 1.00 0.08 N ATOM 850 CA LEU A 55 -0.126 -2.617 3.342 1.00 0.09 C ATOM 851 C LEU A 55 1.014 -1.591 3.328 1.00 0.09 C ATOM 852 O LEU A 55 0.841 -0.462 2.909 1.00 0.10 O ATOM 853 CB LEU A 55 0.153 -3.691 2.274 1.00 0.10 C ATOM 854 CG LEU A 55 -0.635 -4.978 2.565 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.131 -4.672 2.739 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.436 -5.951 1.394 1.00 0.12 C ATOM 0 H LEU A 55 -1.458 -1.511 2.093 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.196 -3.086 4.323 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.119 -3.309 1.290 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.220 -3.912 2.246 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.270 -5.423 3.491 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.670 -5.597 2.944 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.267 -3.981 3.571 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.519 -4.221 1.826 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.990 -6.870 1.586 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.801 -5.493 0.475 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.624 -6.182 1.289 1.00 0.12 H new ATOM 868 N GLU A 56 2.178 -1.985 3.768 1.00 0.09 N ATOM 869 CA GLU A 56 3.350 -1.056 3.775 1.00 0.09 C ATOM 870 C GLU A 56 4.597 -1.860 3.396 1.00 0.09 C ATOM 871 O GLU A 56 4.709 -3.025 3.722 1.00 0.10 O ATOM 872 CB GLU A 56 3.517 -0.450 5.176 1.00 0.09 C ATOM 873 CG GLU A 56 4.413 0.792 5.101 1.00 0.11 C ATOM 874 CD GLU A 56 4.498 1.452 6.480 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.551 1.323 7.238 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.508 2.081 6.753 1.00 1.31 O ATOM 0 H GLU A 56 2.371 -2.920 4.127 1.00 0.09 H new ATOM 0 HA GLU A 56 3.200 -0.245 3.063 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.543 -0.183 5.585 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.955 -1.186 5.851 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.410 0.513 4.759 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.012 1.498 4.374 1.00 0.11 H new ATOM 883 N VAL A 57 5.519 -1.260 2.687 1.00 0.08 N ATOM 884 CA VAL A 57 6.741 -2.008 2.258 1.00 0.08 C ATOM 885 C VAL A 57 7.977 -1.109 2.333 1.00 0.09 C ATOM 886 O VAL A 57 7.955 0.037 1.924 1.00 0.14 O ATOM 887 CB VAL A 57 6.547 -2.475 0.812 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.785 -3.244 0.350 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.319 -3.384 0.734 1.00 0.09 C ATOM 0 H VAL A 57 5.479 -0.286 2.387 1.00 0.08 H new ATOM 0 HA VAL A 57 6.889 -2.861 2.920 1.00 0.08 H new ATOM 0 HB VAL A 57 6.401 -1.609 0.166 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.645 -3.575 -0.679 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.659 -2.595 0.406 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.936 -4.111 0.993 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.178 -3.718 -0.294 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.465 -4.250 1.380 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.437 -2.833 1.060 1.00 0.09 H new ATOM 899 N ASP A 58 9.066 -1.643 2.834 1.00 0.09 N ATOM 900 CA ASP A 58 10.335 -0.860 2.927 1.00 0.09 C ATOM 901 C ASP A 58 11.218 -1.231 1.731 1.00 0.10 C ATOM 902 O ASP A 58 11.867 -2.256 1.721 1.00 0.11 O ATOM 903 CB ASP A 58 11.058 -1.210 4.237 1.00 0.11 C ATOM 904 CG ASP A 58 12.073 -0.115 4.578 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.647 0.960 4.968 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.258 -0.372 4.446 1.00 1.08 O ATOM 0 H ASP A 58 9.128 -2.598 3.186 1.00 0.09 H new ATOM 0 HA ASP A 58 10.123 0.209 2.917 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.335 -1.313 5.046 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.564 -2.170 4.138 1.00 0.11 H new ATOM 911 N VAL A 59 11.225 -0.416 0.715 1.00 0.12 N ATOM 912 CA VAL A 59 12.037 -0.730 -0.495 1.00 0.15 C ATOM 913 C VAL A 59 13.503 -0.950 -0.120 1.00 0.18 C ATOM 914 O VAL A 59 14.288 -1.374 -0.935 1.00 0.27 O ATOM 915 CB VAL A 59 11.945 0.437 -1.484 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.545 0.478 -2.099 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.221 1.750 -0.749 1.00 0.22 C ATOM 0 H VAL A 59 10.701 0.458 0.669 1.00 0.12 H new ATOM 0 HA VAL A 59 11.647 -1.642 -0.948 1.00 0.15 H new ATOM 0 HB VAL A 59 12.683 0.302 -2.275 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.481 1.308 -2.802 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.350 -0.458 -2.623 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.805 0.612 -1.310 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.156 2.581 -1.452 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.484 1.886 0.043 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.220 1.720 -0.314 1.00 0.22 H new ATOM 927 N ASP A 60 13.890 -0.655 1.092 1.00 0.16 N ATOM 928 CA ASP A 60 15.325 -0.827 1.485 1.00 0.18 C ATOM 929 C ASP A 60 15.521 -2.117 2.284 1.00 0.17 C ATOM 930 O ASP A 60 16.446 -2.868 2.040 1.00 0.18 O ATOM 931 CB ASP A 60 15.752 0.363 2.340 1.00 0.21 C ATOM 932 CG ASP A 60 15.713 1.639 1.496 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.720 1.951 0.880 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.677 2.280 1.479 1.00 1.08 O ATOM 0 H ASP A 60 13.278 -0.303 1.828 1.00 0.16 H new ATOM 0 HA ASP A 60 15.932 -0.884 0.581 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.090 0.463 3.200 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.757 0.202 2.729 1.00 0.21 H new ATOM 939 N ASP A 61 14.674 -2.380 3.243 1.00 0.17 N ATOM 940 CA ASP A 61 14.830 -3.619 4.067 1.00 0.17 C ATOM 941 C ASP A 61 13.983 -4.750 3.467 1.00 0.16 C ATOM 942 O ASP A 61 14.114 -5.896 3.847 1.00 0.18 O ATOM 943 CB ASP A 61 14.395 -3.318 5.511 1.00 0.19 C ATOM 944 CG ASP A 61 14.045 -4.616 6.245 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.029 -5.203 5.915 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.800 -5.001 7.124 1.00 1.12 O ATOM 0 H ASP A 61 13.880 -1.791 3.493 1.00 0.17 H new ATOM 0 HA ASP A 61 15.872 -3.938 4.070 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.196 -2.799 6.038 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.533 -2.652 5.506 1.00 0.19 H new ATOM 951 N ALA A 62 13.132 -4.438 2.522 1.00 0.16 N ATOM 952 CA ALA A 62 12.283 -5.490 1.872 1.00 0.16 C ATOM 953 C ALA A 62 12.505 -5.430 0.359 1.00 0.16 C ATOM 954 O ALA A 62 11.579 -5.527 -0.422 1.00 0.15 O ATOM 955 CB ALA A 62 10.807 -5.233 2.187 1.00 0.17 C ATOM 0 H ALA A 62 12.986 -3.492 2.168 1.00 0.16 H new ATOM 0 HA ALA A 62 12.557 -6.475 2.251 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.195 -6.000 1.712 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.655 -5.263 3.266 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.519 -4.253 1.807 1.00 0.17 H new ATOM 961 N GLN A 63 13.731 -5.261 -0.054 1.00 0.20 N ATOM 962 CA GLN A 63 14.032 -5.180 -1.512 1.00 0.22 C ATOM 963 C GLN A 63 13.498 -6.423 -2.228 1.00 0.20 C ATOM 964 O GLN A 63 13.380 -6.445 -3.435 1.00 0.20 O ATOM 965 CB GLN A 63 15.548 -5.079 -1.714 1.00 0.29 C ATOM 966 CG GLN A 63 16.254 -6.089 -0.809 1.00 0.90 C ATOM 967 CD GLN A 63 17.745 -6.128 -1.152 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.114 -6.145 -2.309 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.623 -6.141 -0.187 1.00 2.22 N ATOM 0 H GLN A 63 14.542 -5.175 0.559 1.00 0.20 H new ATOM 0 HA GLN A 63 13.548 -4.297 -1.929 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.800 -5.272 -2.757 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.889 -4.069 -1.485 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.118 -5.813 0.237 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.814 -7.078 -0.938 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.313 -6.127 0.785 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.619 -6.165 -0.404 1.00 2.22 H new ATOM 978 N ASP A 64 13.169 -7.457 -1.502 1.00 0.19 N ATOM 979 CA ASP A 64 12.644 -8.681 -2.168 1.00 0.20 C ATOM 980 C ASP A 64 11.256 -8.378 -2.733 1.00 0.17 C ATOM 981 O ASP A 64 10.893 -8.838 -3.797 1.00 0.19 O ATOM 982 CB ASP A 64 12.554 -9.822 -1.150 1.00 0.22 C ATOM 983 CG ASP A 64 12.045 -9.279 0.186 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.787 -8.557 0.832 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.921 -9.592 0.539 1.00 1.11 O ATOM 0 H ASP A 64 13.240 -7.507 -0.486 1.00 0.19 H new ATOM 0 HA ASP A 64 13.312 -8.980 -2.976 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.883 -10.599 -1.518 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.533 -10.283 -1.018 1.00 0.22 H new ATOM 990 N VAL A 65 10.487 -7.591 -2.036 1.00 0.15 N ATOM 991 CA VAL A 65 9.132 -7.238 -2.539 1.00 0.16 C ATOM 992 C VAL A 65 9.283 -6.223 -3.676 1.00 0.16 C ATOM 993 O VAL A 65 8.692 -6.361 -4.728 1.00 0.19 O ATOM 994 CB VAL A 65 8.314 -6.629 -1.401 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.854 -6.491 -1.835 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.392 -7.538 -0.173 1.00 0.18 C ATOM 0 H VAL A 65 10.739 -7.176 -1.139 1.00 0.15 H new ATOM 0 HA VAL A 65 8.620 -8.128 -2.907 1.00 0.16 H new ATOM 0 HB VAL A 65 8.715 -5.646 -1.155 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.272 -6.057 -1.022 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.794 -5.844 -2.710 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.454 -7.474 -2.083 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.809 -7.104 0.639 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.992 -8.521 -0.422 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.431 -7.638 0.140 1.00 0.18 H new ATOM 1006 N ALA A 66 10.089 -5.214 -3.475 1.00 0.16 N ATOM 1007 CA ALA A 66 10.299 -4.198 -4.546 1.00 0.18 C ATOM 1008 C ALA A 66 10.951 -4.870 -5.756 1.00 0.19 C ATOM 1009 O ALA A 66 10.683 -4.525 -6.888 1.00 0.20 O ATOM 1010 CB ALA A 66 11.215 -3.085 -4.028 1.00 0.22 C ATOM 0 H ALA A 66 10.611 -5.050 -2.614 1.00 0.16 H new ATOM 0 HA ALA A 66 9.339 -3.770 -4.835 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.367 -2.344 -4.813 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.755 -2.608 -3.163 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.176 -3.510 -3.739 1.00 0.22 H new ATOM 1016 N SER A 67 11.805 -5.832 -5.524 1.00 0.21 N ATOM 1017 CA SER A 67 12.471 -6.526 -6.662 1.00 0.26 C ATOM 1018 C SER A 67 11.417 -7.268 -7.487 1.00 0.26 C ATOM 1019 O SER A 67 11.380 -7.170 -8.697 1.00 0.29 O ATOM 1020 CB SER A 67 13.497 -7.528 -6.129 1.00 0.31 C ATOM 1021 OG SER A 67 14.544 -6.825 -5.474 1.00 1.29 O ATOM 0 H SER A 67 12.069 -6.166 -4.597 1.00 0.21 H new ATOM 0 HA SER A 67 12.978 -5.791 -7.287 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.020 -8.221 -5.436 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.900 -8.124 -6.948 1.00 0.31 H new ATOM 0 HG SER A 67 14.386 -6.830 -4.507 1.00 1.29 H new ATOM 1027 N GLU A 68 10.557 -8.006 -6.839 1.00 0.26 N ATOM 1028 CA GLU A 68 9.503 -8.750 -7.584 1.00 0.30 C ATOM 1029 C GLU A 68 8.579 -7.753 -8.292 1.00 0.31 C ATOM 1030 O GLU A 68 8.103 -7.999 -9.381 1.00 0.36 O ATOM 1031 CB GLU A 68 8.690 -9.600 -6.600 1.00 0.31 C ATOM 1032 CG GLU A 68 7.812 -10.593 -7.370 1.00 0.39 C ATOM 1033 CD GLU A 68 8.671 -11.745 -7.896 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.412 -12.314 -7.111 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.568 -12.045 -9.075 1.00 2.20 O ATOM 0 H GLU A 68 10.539 -8.126 -5.826 1.00 0.26 H new ATOM 0 HA GLU A 68 9.967 -9.400 -8.326 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.361 -10.138 -5.930 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.067 -8.957 -5.978 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.028 -10.980 -6.719 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.317 -10.088 -8.200 1.00 0.39 H new ATOM 1042 N ALA A 69 8.322 -6.624 -7.679 1.00 0.29 N ATOM 1043 CA ALA A 69 7.427 -5.608 -8.314 1.00 0.31 C ATOM 1044 C ALA A 69 8.258 -4.636 -9.161 1.00 0.29 C ATOM 1045 O ALA A 69 7.726 -3.817 -9.883 1.00 0.33 O ATOM 1046 CB ALA A 69 6.688 -4.833 -7.219 1.00 0.31 C ATOM 0 H ALA A 69 8.694 -6.362 -6.766 1.00 0.29 H new ATOM 0 HA ALA A 69 6.706 -6.112 -8.958 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.034 -4.091 -7.677 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.092 -5.524 -6.623 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.412 -4.332 -6.576 1.00 0.31 H new ATOM 1052 N GLU A 70 9.557 -4.730 -9.089 1.00 0.27 N ATOM 1053 CA GLU A 70 10.426 -3.825 -9.900 1.00 0.29 C ATOM 1054 C GLU A 70 10.053 -2.358 -9.656 1.00 0.25 C ATOM 1055 O GLU A 70 9.745 -1.628 -10.578 1.00 0.26 O ATOM 1056 CB GLU A 70 10.254 -4.151 -11.386 1.00 0.38 C ATOM 1057 CG GLU A 70 10.323 -5.670 -11.595 1.00 1.18 C ATOM 1058 CD GLU A 70 10.587 -5.975 -13.072 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.747 -6.029 -13.447 1.00 2.34 O ATOM 1060 OE2 GLU A 70 9.626 -6.152 -13.802 1.00 2.06 O ATOM 0 H GLU A 70 10.058 -5.397 -8.502 1.00 0.27 H new ATOM 0 HA GLU A 70 11.463 -3.978 -9.603 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.298 -3.768 -11.744 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.033 -3.659 -11.969 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.114 -6.096 -10.978 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.388 -6.133 -11.279 1.00 1.18 H new ATOM 1067 N VAL A 71 10.093 -1.913 -8.428 1.00 0.22 N ATOM 1068 CA VAL A 71 9.758 -0.486 -8.136 1.00 0.19 C ATOM 1069 C VAL A 71 10.983 0.388 -8.422 1.00 0.23 C ATOM 1070 O VAL A 71 12.058 0.136 -7.916 1.00 0.28 O ATOM 1071 CB VAL A 71 9.367 -0.344 -6.663 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.847 1.075 -6.405 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.272 -1.361 -6.327 1.00 0.19 C ATOM 0 H VAL A 71 10.343 -2.475 -7.614 1.00 0.22 H new ATOM 0 HA VAL A 71 8.925 -0.170 -8.765 1.00 0.19 H new ATOM 0 HB VAL A 71 10.239 -0.528 -6.035 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.569 1.175 -5.356 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.627 1.798 -6.644 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.975 1.262 -7.031 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.992 -1.261 -5.278 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.400 -1.177 -6.954 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.644 -2.369 -6.509 1.00 0.19 H new ATOM 1083 N LYS A 72 10.833 1.405 -9.238 1.00 0.24 N ATOM 1084 CA LYS A 72 11.994 2.294 -9.575 1.00 0.29 C ATOM 1085 C LYS A 72 11.735 3.716 -9.061 1.00 0.26 C ATOM 1086 O LYS A 72 12.557 4.596 -9.217 1.00 0.27 O ATOM 1087 CB LYS A 72 12.176 2.336 -11.096 1.00 0.35 C ATOM 1088 CG LYS A 72 12.108 0.917 -11.673 1.00 0.43 C ATOM 1089 CD LYS A 72 13.206 0.040 -11.049 1.00 1.16 C ATOM 1090 CE LYS A 72 13.498 -1.168 -11.953 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.054 -2.280 -11.130 1.00 2.40 N ATOM 0 H LYS A 72 9.953 1.659 -9.687 1.00 0.24 H new ATOM 0 HA LYS A 72 12.893 1.899 -9.102 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.402 2.958 -11.546 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.135 2.792 -11.343 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.128 0.482 -11.475 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.230 0.950 -12.756 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.114 0.626 -10.909 1.00 1.16 H new ATOM 0 HD3 LYS A 72 12.892 -0.302 -10.063 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.585 -1.492 -12.452 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.206 -0.889 -12.733 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.252 -3.098 -11.741 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.935 -1.967 -10.674 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.364 -2.551 -10.401 1.00 2.40 H new ATOM 1105 N ALA A 73 10.602 3.951 -8.453 1.00 0.22 N ATOM 1106 CA ALA A 73 10.302 5.323 -7.934 1.00 0.20 C ATOM 1107 C ALA A 73 9.363 5.211 -6.730 1.00 0.18 C ATOM 1108 O ALA A 73 8.406 4.470 -6.758 1.00 0.16 O ATOM 1109 CB ALA A 73 9.636 6.158 -9.045 1.00 0.21 C ATOM 0 H ALA A 73 9.872 3.257 -8.293 1.00 0.22 H new ATOM 0 HA ALA A 73 11.226 5.813 -7.627 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.417 7.157 -8.668 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.310 6.232 -9.898 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.709 5.677 -9.356 1.00 0.21 H new ATOM 1115 N THR A 74 9.626 5.952 -5.681 1.00 0.18 N ATOM 1116 CA THR A 74 8.744 5.899 -4.470 1.00 0.17 C ATOM 1117 C THR A 74 8.115 7.289 -4.259 1.00 0.17 C ATOM 1118 O THR A 74 8.722 8.279 -4.615 1.00 0.19 O ATOM 1119 CB THR A 74 9.598 5.549 -3.236 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.786 6.324 -3.264 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.983 4.058 -3.224 1.00 0.19 C ATOM 0 H THR A 74 10.416 6.594 -5.610 1.00 0.18 H new ATOM 0 HA THR A 74 7.967 5.147 -4.608 1.00 0.17 H new ATOM 0 HB THR A 74 9.012 5.763 -2.342 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.335 6.109 -2.481 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.585 3.845 -2.341 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.079 3.449 -3.203 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.558 3.823 -4.120 1.00 0.19 H new ATOM 1129 N PRO A 75 6.941 7.353 -3.656 1.00 0.17 N ATOM 1130 CA PRO A 75 6.154 6.182 -3.200 1.00 0.16 C ATOM 1131 C PRO A 75 5.461 5.518 -4.390 1.00 0.14 C ATOM 1132 O PRO A 75 5.025 6.185 -5.308 1.00 0.14 O ATOM 1133 CB PRO A 75 5.095 6.778 -2.250 1.00 0.17 C ATOM 1134 CG PRO A 75 5.143 8.319 -2.411 1.00 0.20 C ATOM 1135 CD PRO A 75 6.320 8.653 -3.347 1.00 0.19 C ATOM 0 HA PRO A 75 6.775 5.425 -2.721 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.103 6.397 -2.494 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.301 6.493 -1.218 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.206 8.690 -2.827 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.275 8.801 -1.442 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.975 9.151 -4.253 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.030 9.325 -2.865 1.00 0.19 H new ATOM 1143 N THR A 76 5.329 4.215 -4.369 1.00 0.13 N ATOM 1144 CA THR A 76 4.633 3.514 -5.492 1.00 0.12 C ATOM 1145 C THR A 76 3.365 2.875 -4.945 1.00 0.12 C ATOM 1146 O THR A 76 3.414 1.975 -4.130 1.00 0.18 O ATOM 1147 CB THR A 76 5.539 2.419 -6.077 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.877 2.887 -6.090 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.104 2.094 -7.511 1.00 0.13 C ATOM 0 H THR A 76 5.672 3.608 -3.625 1.00 0.13 H new ATOM 0 HA THR A 76 4.394 4.230 -6.279 1.00 0.12 H new ATOM 0 HB THR A 76 5.462 1.519 -5.466 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.903 3.794 -6.459 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.750 1.317 -7.920 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.072 1.743 -7.507 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.180 2.990 -8.126 1.00 0.13 H new ATOM 1157 N PHE A 77 2.229 3.325 -5.391 1.00 0.09 N ATOM 1158 CA PHE A 77 0.956 2.733 -4.903 1.00 0.09 C ATOM 1159 C PHE A 77 0.550 1.610 -5.842 1.00 0.09 C ATOM 1160 O PHE A 77 0.255 1.827 -7.000 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.139 3.798 -4.873 1.00 0.10 C ATOM 1162 CG PHE A 77 0.159 4.775 -3.768 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.095 4.409 -2.437 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.693 6.042 -4.064 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.180 5.313 -1.398 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.968 6.947 -3.024 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.713 6.583 -1.691 1.00 0.12 C ATOM 0 H PHE A 77 2.126 4.077 -6.072 1.00 0.09 H new ATOM 0 HA PHE A 77 1.095 2.345 -3.894 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.187 4.316 -5.831 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.112 3.333 -4.713 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.501 3.434 -2.212 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.891 6.319 -5.089 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.017 5.034 -0.374 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.375 7.922 -3.249 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.926 7.277 -0.891 1.00 0.12 H new ATOM 1177 N GLN A 78 0.538 0.408 -5.342 1.00 0.07 N ATOM 1178 CA GLN A 78 0.160 -0.767 -6.170 1.00 0.07 C ATOM 1179 C GLN A 78 -1.129 -1.343 -5.596 1.00 0.06 C ATOM 1180 O GLN A 78 -1.292 -1.439 -4.396 1.00 0.07 O ATOM 1181 CB GLN A 78 1.288 -1.801 -6.100 1.00 0.08 C ATOM 1182 CG GLN A 78 2.640 -1.090 -6.220 1.00 0.12 C ATOM 1183 CD GLN A 78 3.729 -2.099 -6.591 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.738 -3.213 -6.102 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.657 -1.753 -7.441 1.00 1.03 N ATOM 0 H GLN A 78 0.779 0.187 -4.376 1.00 0.07 H new ATOM 0 HA GLN A 78 0.006 -0.488 -7.212 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.235 -2.349 -5.159 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.177 -2.531 -6.901 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.583 -0.308 -6.977 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.889 -0.603 -5.277 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.650 -0.819 -7.851 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.389 -2.416 -7.695 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.061 -1.692 -6.442 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.368 -2.219 -5.954 1.00 0.07 C ATOM 1196 C PHE A 79 -3.473 -3.708 -6.263 1.00 0.07 C ATOM 1197 O PHE A 79 -3.315 -4.134 -7.391 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.499 -1.465 -6.659 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.476 -0.017 -6.221 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.449 0.826 -6.667 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.469 0.481 -5.366 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.410 2.170 -6.260 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.434 1.822 -4.951 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.406 2.667 -5.399 1.00 0.11 C ATOM 0 H PHE A 79 -1.972 -1.634 -7.456 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.443 -2.076 -4.876 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.379 -1.533 -7.740 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.461 -1.916 -6.416 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.685 0.441 -7.326 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.262 -0.168 -5.026 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.619 2.819 -6.606 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.197 2.203 -4.288 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.380 3.699 -5.083 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.750 -4.497 -5.258 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.882 -5.970 -5.449 1.00 0.08 C ATOM 1216 C PHE A 80 -5.274 -6.394 -4.983 1.00 0.11 C ATOM 1217 O PHE A 80 -5.914 -5.707 -4.213 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.820 -6.692 -4.612 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.453 -6.513 -5.242 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.056 -7.338 -6.308 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.572 -5.531 -4.751 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.217 -7.180 -6.885 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.699 -5.374 -5.329 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.094 -6.198 -6.394 1.00 0.14 C ATOM 0 H PHE A 80 -3.892 -4.177 -4.300 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.743 -6.227 -6.499 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.816 -6.297 -3.596 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.061 -7.753 -4.541 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.729 -8.094 -6.685 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.873 -4.898 -3.930 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.520 -7.813 -7.705 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.373 -4.618 -4.953 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.072 -6.077 -6.836 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.753 -7.516 -5.442 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.107 -7.972 -5.023 1.00 0.14 C ATOM 1236 C LYS A 81 -7.151 -9.493 -5.152 1.00 0.14 C ATOM 1237 O LYS A 81 -6.929 -10.035 -6.214 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.165 -7.323 -5.933 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.541 -7.334 -5.250 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.511 -6.449 -6.038 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.810 -6.290 -5.247 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.830 -5.614 -6.098 1.00 1.48 N ATOM 0 H LYS A 81 -5.266 -8.136 -6.089 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.315 -7.683 -3.993 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.875 -6.298 -6.164 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.218 -7.860 -6.880 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.924 -8.353 -5.197 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.453 -6.972 -4.225 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.062 -5.473 -6.222 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.717 -6.894 -7.012 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.176 -7.266 -4.928 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.630 -5.707 -4.344 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.714 -5.506 -5.561 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.480 -4.677 -6.381 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.009 -6.188 -6.947 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.403 -10.185 -4.076 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.430 -11.673 -4.138 1.00 0.20 C ATOM 1258 C LYS A 82 -6.091 -12.175 -4.685 1.00 0.20 C ATOM 1259 O LYS A 82 -6.024 -13.174 -5.374 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.572 -12.138 -5.052 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.909 -12.037 -4.308 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.030 -12.640 -5.165 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.096 -11.939 -6.530 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.124 -12.577 -7.462 1.00 1.67 N ATOM 0 H LYS A 82 -7.591 -9.785 -3.157 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.593 -12.077 -3.139 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.600 -11.526 -5.954 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.399 -13.166 -5.370 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.845 -12.562 -3.355 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.132 -10.994 -4.083 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.856 -13.707 -5.305 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.985 -12.538 -4.650 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.105 -12.006 -6.937 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.867 -10.879 -6.418 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.357 -11.908 -7.675 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.727 -13.430 -7.019 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.609 -12.839 -8.344 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.025 -11.493 -4.373 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.686 -11.929 -4.859 1.00 0.21 C ATOM 1280 C GLY A 83 -3.502 -11.544 -6.329 1.00 0.19 C ATOM 1281 O GLY A 83 -2.552 -11.958 -6.965 1.00 0.22 O ATOM 0 H GLY A 83 -5.023 -10.649 -3.800 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.905 -11.468 -4.255 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.583 -13.008 -4.743 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.405 -10.767 -6.881 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.282 -10.365 -8.325 1.00 0.17 C ATOM 1287 C GLN A 84 -4.058 -8.851 -8.437 1.00 0.16 C ATOM 1288 O GLN A 84 -4.546 -8.084 -7.638 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.574 -10.742 -9.060 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.614 -12.256 -9.276 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.614 -12.642 -10.368 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.905 -11.709 -10.942 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.476 -13.802 -10.700 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.221 -10.393 -6.397 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.432 -10.882 -8.770 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.441 -10.423 -8.481 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.624 -10.226 -10.019 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.372 -12.773 -8.347 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.619 -12.567 -9.562 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -5.031 -14.531 -10.251 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.805 -14.048 -11.428 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.327 -8.419 -9.437 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.072 -6.953 -9.614 1.00 0.17 C ATOM 1304 C LYS A 85 -4.216 -6.331 -10.415 1.00 0.16 C ATOM 1305 O LYS A 85 -4.743 -6.938 -11.326 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.753 -6.741 -10.364 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.512 -5.237 -10.550 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.038 -4.975 -10.881 1.00 0.30 C ATOM 1309 CE LYS A 85 0.302 -5.580 -12.245 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.639 -5.088 -12.685 1.00 1.70 N ATOM 0 H LYS A 85 -2.895 -9.019 -10.140 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.009 -6.479 -8.634 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.929 -7.187 -9.807 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.789 -7.238 -11.333 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.146 -4.856 -11.351 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.789 -4.702 -9.642 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.157 -3.903 -10.890 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.600 -5.409 -10.111 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.305 -6.668 -12.182 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.458 -5.305 -12.977 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.872 -5.498 -13.612 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.620 -4.051 -12.760 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.359 -5.371 -11.990 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.616 -5.130 -10.069 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.746 -4.466 -10.796 1.00 0.16 C ATOM 1326 C VAL A 86 -5.359 -3.039 -11.220 1.00 0.18 C ATOM 1327 O VAL A 86 -5.941 -2.485 -12.131 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.964 -4.412 -9.869 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.517 -5.826 -9.655 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.548 -3.817 -8.520 1.00 0.17 C ATOM 0 H VAL A 86 -4.208 -4.580 -9.313 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.978 -5.039 -11.694 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.736 -3.790 -10.322 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.383 -5.782 -8.995 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.813 -6.250 -10.615 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.748 -6.453 -9.203 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.413 -3.777 -7.858 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.775 -4.440 -8.070 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.160 -2.810 -8.671 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.391 -2.433 -10.580 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.001 -1.043 -10.978 1.00 0.18 C ATOM 1342 C GLY A 87 -2.764 -0.594 -10.192 1.00 0.10 C ATOM 1343 O GLY A 87 -2.306 -1.276 -9.296 1.00 0.08 O ATOM 0 H GLY A 87 -3.858 -2.833 -9.808 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.794 -1.008 -12.048 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.828 -0.358 -10.791 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.213 0.549 -10.526 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.000 1.037 -9.802 1.00 0.10 C ATOM 1349 C GLU A 88 -0.646 2.458 -10.251 1.00 0.10 C ATOM 1350 O GLU A 88 -0.931 2.857 -11.363 1.00 0.11 O ATOM 1351 CB GLU A 88 0.185 0.113 -10.099 1.00 0.17 C ATOM 1352 CG GLU A 88 0.381 -0.038 -11.614 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.748 -0.882 -12.211 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.922 -2.003 -11.765 1.00 1.94 O ATOM 1355 OE2 GLU A 88 -1.415 -0.393 -13.108 1.00 2.04 O ATOM 0 H GLU A 88 -2.551 1.163 -11.267 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.213 1.039 -8.733 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.091 0.517 -9.647 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.013 -0.865 -9.649 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.399 0.945 -12.086 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.343 -0.507 -11.819 1.00 0.25 H new ATOM 1362 N PHE A 89 0.000 3.217 -9.401 1.00 0.09 N ATOM 1363 CA PHE A 89 0.401 4.602 -9.792 1.00 0.09 C ATOM 1364 C PHE A 89 1.359 5.192 -8.744 1.00 0.09 C ATOM 1365 O PHE A 89 1.114 5.118 -7.560 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.846 5.496 -9.961 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.404 5.939 -8.617 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.742 6.928 -7.864 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.600 5.377 -8.130 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.269 7.345 -6.630 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.126 5.799 -6.896 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.462 6.783 -6.145 1.00 0.11 C ATOM 0 H PHE A 89 0.266 2.938 -8.457 1.00 0.09 H new ATOM 0 HA PHE A 89 0.921 4.561 -10.749 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.588 6.373 -10.555 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.613 4.952 -10.512 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.172 7.367 -8.236 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.114 4.621 -8.705 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.756 8.100 -6.053 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.043 5.365 -6.525 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.867 7.107 -5.198 1.00 0.11 H new ATOM 1382 N SER A 90 2.448 5.784 -9.177 1.00 0.13 N ATOM 1383 CA SER A 90 3.426 6.393 -8.212 1.00 0.14 C ATOM 1384 C SER A 90 3.278 7.922 -8.242 1.00 0.14 C ATOM 1385 O SER A 90 2.359 8.455 -8.832 1.00 0.17 O ATOM 1386 CB SER A 90 4.850 6.011 -8.620 1.00 0.15 C ATOM 1387 OG SER A 90 5.283 6.854 -9.680 1.00 0.16 O ATOM 0 H SER A 90 2.704 5.873 -10.160 1.00 0.13 H new ATOM 0 HA SER A 90 3.227 6.024 -7.206 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.522 6.107 -7.767 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.882 4.968 -8.935 1.00 0.15 H new ATOM 0 HG SER A 90 6.110 7.310 -9.418 1.00 0.16 H new ATOM 1393 N GLY A 91 4.176 8.631 -7.606 1.00 0.12 N ATOM 1394 CA GLY A 91 4.091 10.125 -7.589 1.00 0.13 C ATOM 1395 C GLY A 91 3.229 10.576 -6.405 1.00 0.13 C ATOM 1396 O GLY A 91 2.108 10.138 -6.241 1.00 0.13 O ATOM 0 H GLY A 91 4.967 8.239 -7.096 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.089 10.555 -7.510 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.661 10.486 -8.523 1.00 0.13 H new ATOM 1400 N ALA A 92 3.749 11.438 -5.572 1.00 0.15 N ATOM 1401 CA ALA A 92 2.966 11.905 -4.389 1.00 0.17 C ATOM 1402 C ALA A 92 1.576 12.372 -4.824 1.00 0.15 C ATOM 1403 O ALA A 92 1.392 13.497 -5.242 1.00 0.16 O ATOM 1404 CB ALA A 92 3.702 13.072 -3.717 1.00 0.20 C ATOM 0 H ALA A 92 4.683 11.840 -5.659 1.00 0.15 H new ATOM 0 HA ALA A 92 2.862 11.077 -3.687 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.131 13.413 -2.854 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.688 12.741 -3.392 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.810 13.892 -4.428 1.00 0.20 H new ATOM 1410 N ASN A 93 0.593 11.521 -4.707 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.796 11.911 -5.088 1.00 0.13 C ATOM 1412 C ASN A 93 -1.766 11.322 -4.054 1.00 0.12 C ATOM 1413 O ASN A 93 -2.503 10.398 -4.329 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.101 11.358 -6.487 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.255 12.139 -7.115 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.015 12.881 -6.358 1.00 1.04 O flip ATOM 1417 ND2 ASN A 93 -2.473 12.068 -8.308 1.00 1.15 N flip ATOM 0 H ASN A 93 0.693 10.566 -4.362 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.904 12.995 -5.107 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.215 11.431 -7.118 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.359 10.301 -6.421 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -1.880 11.488 -8.901 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.249 12.588 -8.716 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.747 11.837 -2.854 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.637 11.295 -1.786 1.00 0.20 C ATOM 1426 C LYS A 94 -4.110 11.494 -2.156 1.00 0.18 C ATOM 1427 O LYS A 94 -4.949 10.675 -1.842 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.346 12.009 -0.458 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.222 13.532 -0.690 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.741 13.953 -0.748 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.196 14.144 0.672 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.623 15.476 1.183 1.00 1.19 N ATOM 0 H LYS A 94 -1.151 12.613 -2.566 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.441 10.228 -1.683 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.144 11.806 0.256 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.424 11.623 -0.023 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.720 13.805 -1.620 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.727 14.070 0.112 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.159 13.195 -1.271 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.639 14.879 -1.313 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.566 13.354 1.326 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.892 14.073 0.670 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.213 16.016 1.486 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.116 15.995 0.429 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.264 15.348 1.992 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.445 12.569 -2.809 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.870 12.788 -3.168 1.00 0.20 C ATOM 1448 C GLU A 95 -6.302 11.720 -4.175 1.00 0.17 C ATOM 1449 O GLU A 95 -7.450 11.328 -4.230 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.032 14.177 -3.788 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.643 15.248 -2.764 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.730 15.360 -1.692 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.747 14.701 -1.835 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.526 16.103 -0.746 1.00 1.95 O ATOM 0 H GLU A 95 -3.799 13.300 -3.108 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.491 12.720 -2.275 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.406 14.265 -4.676 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.063 14.325 -4.109 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.689 14.993 -2.302 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.510 16.209 -3.262 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.382 11.243 -4.963 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.715 10.193 -5.966 1.00 0.14 C ATOM 1463 C LYS A 96 -6.062 8.892 -5.243 1.00 0.12 C ATOM 1464 O LYS A 96 -6.914 8.146 -5.679 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.513 9.976 -6.891 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.733 8.750 -7.786 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.619 8.662 -8.845 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.985 9.508 -10.070 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.224 8.965 -10.689 1.00 2.05 N ATOM 0 H LYS A 96 -4.405 11.537 -4.956 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.572 10.509 -6.561 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.359 10.861 -7.509 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.610 9.841 -6.296 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.742 7.844 -7.180 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.705 8.816 -8.274 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.677 9.010 -8.422 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.471 7.624 -9.142 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.136 10.547 -9.777 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.168 9.496 -10.792 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.202 9.134 -11.715 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.283 7.943 -10.507 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.054 9.438 -10.278 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.415 8.607 -4.143 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.727 7.344 -3.412 1.00 0.11 C ATOM 1485 C LEU A 97 -7.240 7.240 -3.227 1.00 0.11 C ATOM 1486 O LEU A 97 -7.817 6.173 -3.305 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.050 7.349 -2.028 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.574 6.942 -2.144 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.900 7.166 -0.784 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.464 5.456 -2.564 1.00 0.13 C ATOM 0 H LEU A 97 -4.690 9.189 -3.722 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.356 6.496 -3.987 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.125 8.342 -1.585 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.570 6.662 -1.361 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.078 7.546 -2.904 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.850 6.882 -0.847 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.975 8.218 -0.509 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.396 6.557 -0.028 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.413 5.177 -2.644 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.950 4.830 -1.816 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.951 5.314 -3.529 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.881 8.344 -2.983 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.360 8.316 -2.791 1.00 0.14 C ATOM 1504 C GLU A 98 -10.038 7.925 -4.107 1.00 0.13 C ATOM 1505 O GLU A 98 -10.807 6.986 -4.169 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.844 9.703 -2.348 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.239 9.590 -1.728 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.777 10.988 -1.420 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.190 11.945 -1.899 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.764 11.080 -0.710 1.00 2.05 O ATOM 0 H GLU A 98 -7.449 9.265 -2.908 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.616 7.585 -2.024 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.148 10.128 -1.625 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.869 10.380 -3.202 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.912 9.073 -2.412 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.195 8.997 -0.815 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.768 8.652 -5.157 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.401 8.346 -6.471 1.00 0.14 C ATOM 1519 C ALA A 99 -10.042 6.928 -6.931 1.00 0.12 C ATOM 1520 O ALA A 99 -10.857 6.235 -7.499 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.912 9.352 -7.515 1.00 0.15 C ATOM 0 H ALA A 99 -9.132 9.450 -5.161 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.483 8.415 -6.360 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.373 9.131 -8.477 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.186 10.360 -7.205 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.828 9.282 -7.608 1.00 0.15 H new ATOM 1527 N THR A 100 -8.828 6.501 -6.715 1.00 0.11 N ATOM 1528 CA THR A 100 -8.419 5.139 -7.174 1.00 0.11 C ATOM 1529 C THR A 100 -9.132 4.058 -6.355 1.00 0.10 C ATOM 1530 O THR A 100 -9.663 3.109 -6.897 1.00 0.11 O ATOM 1531 CB THR A 100 -6.903 4.983 -7.016 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.262 6.150 -7.508 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.424 3.765 -7.808 1.00 0.12 C ATOM 0 H THR A 100 -8.100 7.035 -6.241 1.00 0.11 H new ATOM 0 HA THR A 100 -8.697 5.024 -8.222 1.00 0.11 H new ATOM 0 HB THR A 100 -6.658 4.844 -5.963 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.356 6.875 -6.855 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.345 3.657 -7.693 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.920 2.869 -7.433 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.665 3.899 -8.863 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.142 4.187 -5.057 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.815 3.158 -4.212 1.00 0.11 C ATOM 1543 C ILE A 101 -11.305 3.124 -4.550 1.00 0.13 C ATOM 1544 O ILE A 101 -11.871 2.076 -4.777 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.622 3.503 -2.726 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.140 3.323 -2.362 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.489 2.567 -1.867 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.830 3.975 -1.007 1.00 0.18 C ATOM 0 H ILE A 101 -8.714 4.958 -4.545 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.378 2.179 -4.408 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.921 4.535 -2.540 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.896 2.261 -2.324 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.514 3.767 -3.136 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.353 2.810 -0.813 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.538 2.693 -2.136 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.191 1.533 -2.042 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.775 3.836 -0.769 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.053 5.041 -1.057 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.441 3.512 -0.232 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.943 4.259 -4.585 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.399 4.283 -4.904 1.00 0.17 C ATOM 1562 C ASN A 102 -13.619 3.710 -6.305 1.00 0.18 C ATOM 1563 O ASN A 102 -14.711 3.314 -6.660 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.903 5.730 -4.849 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.432 5.745 -4.802 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.084 5.580 -5.813 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.035 5.942 -3.662 1.00 1.03 N ATOM 0 H ASN A 102 -11.521 5.171 -4.407 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.948 3.681 -4.179 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.498 6.233 -3.971 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.551 6.281 -5.722 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.054 5.957 -3.620 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.487 6.081 -2.813 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.588 3.672 -7.104 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.727 3.135 -8.487 1.00 0.18 C ATOM 1576 C GLU A 103 -12.787 1.604 -8.462 1.00 0.19 C ATOM 1577 O GLU A 103 -13.753 1.002 -8.887 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.515 3.581 -9.321 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.849 3.492 -10.814 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.777 4.647 -11.204 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.289 5.759 -11.323 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.958 4.399 -11.378 1.00 2.02 O ATOM 0 H GLU A 103 -11.651 3.991 -6.857 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.649 3.516 -8.927 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.240 4.603 -9.061 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.655 2.952 -9.094 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.934 3.533 -11.405 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.328 2.538 -11.033 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.742 0.972 -7.999 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.704 -0.522 -7.978 1.00 0.19 C ATOM 1591 C LEU A 104 -12.254 -1.050 -6.648 1.00 0.19 C ATOM 1592 O LEU A 104 -11.971 -2.164 -6.251 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.251 -0.981 -8.157 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.695 -0.454 -9.491 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.165 -0.526 -9.468 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.222 -1.295 -10.662 1.00 0.35 C ATOM 0 H LEU A 104 -10.907 1.428 -7.632 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.322 -0.913 -8.787 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.641 -0.617 -7.330 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.199 -2.070 -8.136 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.019 0.578 -9.622 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.769 -0.153 -10.413 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.784 0.084 -8.649 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.852 -1.560 -9.326 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.819 -0.908 -11.598 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.912 -2.332 -10.534 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.310 -1.243 -10.687 1.00 0.35 H new ATOM 1672 N PHE B 3 19.268 2.578 1.728 1.00 0.00 N ATOM 1673 CA PHE B 3 19.120 3.562 0.604 1.00 0.00 C ATOM 1674 C PHE B 3 18.935 2.811 -0.718 1.00 0.00 C ATOM 1675 O PHE B 3 19.423 1.712 -0.891 1.00 0.00 O ATOM 1676 CB PHE B 3 20.385 4.426 0.525 1.00 0.00 C ATOM 1677 CG PHE B 3 20.358 5.481 1.611 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.652 5.129 2.940 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.044 6.813 1.289 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.629 6.111 3.948 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.022 7.793 2.297 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.315 7.443 3.625 1.00 0.00 C ATOM 0 HA PHE B 3 18.250 4.194 0.784 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.271 3.800 0.636 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.451 4.901 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.895 4.106 3.187 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.820 7.083 0.268 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.853 5.841 4.970 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.780 8.816 2.050 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.299 8.197 4.398 1.00 0.00 H new ATOM 1692 N ARG B 4 18.234 3.399 -1.657 1.00 0.00 N ATOM 1693 CA ARG B 4 18.027 2.713 -2.968 1.00 0.00 C ATOM 1694 C ARG B 4 17.870 3.744 -4.097 1.00 0.00 C ATOM 1695 O ARG B 4 18.850 4.284 -4.572 1.00 0.00 O ATOM 1696 CB ARG B 4 16.784 1.814 -2.887 1.00 0.00 C ATOM 1697 CG ARG B 4 17.124 0.496 -2.160 1.00 0.00 C ATOM 1698 CD ARG B 4 16.230 -0.628 -2.683 1.00 0.00 C ATOM 1699 NE ARG B 4 16.664 -1.020 -4.052 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.252 -2.149 -4.567 1.00 0.00 C ATOM 1701 NH1 ARG B 4 15.476 -2.937 -3.873 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.617 -2.488 -5.772 1.00 0.00 N ATOM 0 H ARG B 4 17.799 4.318 -1.572 1.00 0.00 H new ATOM 0 HA ARG B 4 18.899 2.098 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.985 2.333 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.416 1.600 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG B 4 18.172 0.243 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.983 0.615 -1.086 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.282 -1.488 -2.015 1.00 0.00 H new ATOM 0 HD3 ARG B 4 15.191 -0.300 -2.701 1.00 0.00 H new ATOM 0 HE ARG B 4 17.281 -0.409 -4.587 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.192 -2.672 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.154 -3.818 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.224 -1.872 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.295 -3.369 -6.173 1.00 0.00 H new ATOM 1716 N TYR B 5 16.662 4.005 -4.554 1.00 0.00 N ATOM 1717 CA TYR B 5 16.481 4.981 -5.685 1.00 0.00 C ATOM 1718 C TYR B 5 15.834 6.286 -5.197 1.00 0.00 C ATOM 1719 O TYR B 5 15.650 6.505 -4.015 1.00 0.00 O ATOM 1720 CB TYR B 5 15.632 4.346 -6.802 1.00 0.00 C ATOM 1721 CG TYR B 5 14.506 3.517 -6.237 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.724 2.176 -5.871 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.226 4.073 -6.124 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.660 1.401 -5.375 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.164 3.302 -5.635 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.379 1.965 -5.258 1.00 0.00 C ATOM 1727 OH TYR B 5 11.332 1.206 -4.777 1.00 0.00 O ATOM 0 H TYR B 5 15.802 3.589 -4.197 1.00 0.00 H new ATOM 0 HA TYR B 5 17.466 5.225 -6.083 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.224 5.130 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.265 3.721 -7.431 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.708 1.742 -5.971 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.057 5.099 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.828 0.374 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.179 3.735 -5.547 1.00 0.00 H new ATOM 0 HH TYR B 5 11.652 0.304 -4.567 1.00 0.00 H new ATOM 1737 N VAL B 6 15.551 7.173 -6.117 1.00 0.00 N ATOM 1738 CA VAL B 6 14.985 8.509 -5.754 1.00 0.00 C ATOM 1739 C VAL B 6 13.555 8.405 -5.220 1.00 0.00 C ATOM 1740 O VAL B 6 12.768 7.582 -5.649 1.00 0.00 O ATOM 1741 CB VAL B 6 14.967 9.403 -7.004 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.877 10.873 -6.585 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.240 9.179 -7.818 1.00 0.00 C ATOM 0 H VAL B 6 15.690 7.027 -7.117 1.00 0.00 H new ATOM 0 HA VAL B 6 15.615 8.930 -4.970 1.00 0.00 H new ATOM 0 HB VAL B 6 14.101 9.148 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.864 11.504 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.963 11.033 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.739 11.129 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.223 9.815 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.109 9.428 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.298 8.134 -8.123 1.00 0.00 H new ATOM 1753 N CYS B 7 13.206 9.298 -4.326 1.00 0.00 N ATOM 1754 CA CYS B 7 11.818 9.344 -3.786 1.00 0.00 C ATOM 1755 C CYS B 7 11.068 10.478 -4.487 1.00 0.00 C ATOM 1756 O CYS B 7 11.193 11.629 -4.123 1.00 0.00 O ATOM 1757 CB CYS B 7 11.848 9.612 -2.277 1.00 0.00 C ATOM 1758 SG CYS B 7 13.092 8.568 -1.478 1.00 0.00 S ATOM 0 H CYS B 7 13.835 10.005 -3.945 1.00 0.00 H new ATOM 0 HA CYS B 7 11.321 8.390 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.072 10.663 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.866 9.414 -1.846 1.00 0.00 H new ATOM 1763 N GLU B 8 10.306 10.171 -5.502 1.00 0.00 N ATOM 1764 CA GLU B 8 9.574 11.250 -6.227 1.00 0.00 C ATOM 1765 C GLU B 8 8.272 11.573 -5.496 1.00 0.00 C ATOM 1766 O GLU B 8 7.237 11.789 -6.097 1.00 0.00 O ATOM 1767 CB GLU B 8 9.269 10.800 -7.662 1.00 0.00 C ATOM 1768 CG GLU B 8 8.862 9.323 -7.664 1.00 0.00 C ATOM 1769 CD GLU B 8 8.146 8.990 -8.976 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.804 8.985 -10.003 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.950 8.747 -8.930 1.00 0.00 O ATOM 0 H GLU B 8 10.159 9.227 -5.859 1.00 0.00 H new ATOM 0 HA GLU B 8 10.196 12.144 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.468 11.409 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.145 10.947 -8.293 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.743 8.692 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.208 9.114 -6.818 1.00 0.00 H new ATOM 1778 N GLY B 9 8.323 11.653 -4.201 1.00 0.00 N ATOM 1779 CA GLY B 9 7.098 12.014 -3.441 1.00 0.00 C ATOM 1780 C GLY B 9 6.781 13.490 -3.751 1.00 0.00 C ATOM 1781 O GLY B 9 6.786 13.863 -4.908 1.00 0.00 O ATOM 0 H GLY B 9 9.155 11.485 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.265 11.374 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.254 11.871 -2.372 1.00 0.00 H new ATOM 1785 N PRO B 10 6.544 14.309 -2.743 1.00 0.00 N ATOM 1786 CA PRO B 10 6.269 15.743 -2.977 1.00 0.00 C ATOM 1787 C PRO B 10 7.533 16.415 -3.535 1.00 0.00 C ATOM 1788 O PRO B 10 7.731 17.603 -3.391 1.00 0.00 O ATOM 1789 CB PRO B 10 5.908 16.311 -1.587 1.00 0.00 C ATOM 1790 CG PRO B 10 6.079 15.166 -0.554 1.00 0.00 C ATOM 1791 CD PRO B 10 6.510 13.903 -1.322 1.00 0.00 C ATOM 0 HA PRO B 10 5.468 15.913 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.555 17.152 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.884 16.684 -1.580 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.827 15.433 0.193 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.145 14.989 -0.021 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.487 13.553 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.807 13.085 -1.162 1.00 0.00 H new ATOM 1799 N SER B 11 8.389 15.651 -4.157 1.00 0.00 N ATOM 1800 CA SER B 11 9.648 16.219 -4.717 1.00 0.00 C ATOM 1801 C SER B 11 9.383 16.758 -6.125 1.00 0.00 C ATOM 1802 O SER B 11 10.236 17.368 -6.738 1.00 0.00 O ATOM 1803 CB SER B 11 10.709 15.111 -4.777 1.00 0.00 C ATOM 1804 OG SER B 11 11.993 15.700 -4.939 1.00 0.00 O ATOM 0 H SER B 11 8.269 14.649 -4.302 1.00 0.00 H new ATOM 0 HA SER B 11 10.002 17.033 -4.085 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.682 14.515 -3.865 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.499 14.435 -5.606 1.00 0.00 H new ATOM 0 HG SER B 11 11.918 16.497 -5.505 1.00 0.00 H new