USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 GLN : amide:sc= -0.388 K(o=-0.68,f=-4.3) USER MOD Set 1.2: A 58 MET CE :methyl -112:sc= -0.235 (180deg=-3.03) USER MOD Set 1.3: A 61 CYS SG : rot 58:sc= -0.0532 USER MOD Set 2.1: A 30 MET CE :methyl -115:sc= -2.61 (180deg=-6.72!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ -128:sc= -3.14! (180deg=-7.41!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.905 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0355 K(o=-0.036,f=-1.3) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -140:sc= -0.987 (180deg=-2.54!) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc=-0.00498 (180deg=-0.223) USER MOD Single : A 19 TYR OH : rot -125:sc= 1.11 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.47) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.119 (180deg=-0.521) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 57 THR OG1 : rot -150:sc= -0.75 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -7.64! C(o=-7.6!,f=-13!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.784 K(o=-0.78,f=-9.7!) USER MOD Single : A 80 THR OG1 : rot -143:sc= -1.11 USER MOD Single : A 82 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.16) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0447) USER MOD Single : A 84 TYR OH : rot -1:sc= 1.24 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.97! C(o=-2.9!,f=-2!) USER MOD Single : A 89 SER OG : rot 35:sc= 1.19 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.533 6.086 19.178 1.00 0.00 N ATOM 2 CA GLY A 1 6.370 6.458 19.962 1.00 0.00 C ATOM 3 C GLY A 1 5.838 7.830 19.596 1.00 0.00 C ATOM 4 O GLY A 1 6.421 8.848 19.968 1.00 0.00 O ATOM 0 H1 GLY A 1 7.858 5.141 19.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.282 6.073 18.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.294 6.777 19.336 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.585 5.716 19.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.629 6.443 21.021 1.00 0.00 H new ATOM 8 N SER A 2 4.730 7.856 18.862 1.00 0.00 N ATOM 9 CA SER A 2 4.123 9.113 18.440 1.00 0.00 C ATOM 10 C SER A 2 2.693 8.891 17.958 1.00 0.00 C ATOM 11 O SER A 2 2.224 7.756 17.874 1.00 0.00 O ATOM 12 CB SER A 2 4.954 9.757 17.328 1.00 0.00 C ATOM 13 OG SER A 2 5.045 8.904 16.200 1.00 0.00 O ATOM 0 H SER A 2 4.235 7.022 18.547 1.00 0.00 H new ATOM 0 HA SER A 2 4.098 9.783 19.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.503 10.705 17.035 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.954 9.981 17.700 1.00 0.00 H new ATOM 0 HG SER A 2 5.579 9.339 15.503 1.00 0.00 H new ATOM 19 N SER A 3 2.005 9.983 17.642 1.00 0.00 N ATOM 20 CA SER A 3 0.627 9.910 17.171 1.00 0.00 C ATOM 21 C SER A 3 0.126 11.284 16.739 1.00 0.00 C ATOM 22 O SER A 3 0.131 12.234 17.522 1.00 0.00 O ATOM 23 CB SER A 3 -0.279 9.345 18.267 1.00 0.00 C ATOM 24 OG SER A 3 -1.467 8.802 17.718 1.00 0.00 O ATOM 0 H SER A 3 2.380 10.930 17.704 1.00 0.00 H new ATOM 0 HA SER A 3 0.599 9.245 16.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.254 8.573 18.822 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.530 10.133 18.977 1.00 0.00 H new ATOM 0 HG SER A 3 -2.028 8.446 18.439 1.00 0.00 H new ATOM 30 N GLY A 4 -0.307 11.383 15.486 1.00 0.00 N ATOM 31 CA GLY A 4 -0.806 12.644 14.970 1.00 0.00 C ATOM 32 C GLY A 4 -0.081 13.084 13.713 1.00 0.00 C ATOM 33 O GLY A 4 0.869 13.863 13.777 1.00 0.00 O ATOM 0 H GLY A 4 -0.321 10.612 14.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.871 12.550 14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.700 13.413 15.735 1.00 0.00 H new ATOM 37 N SER A 5 -0.530 12.581 12.567 1.00 0.00 N ATOM 38 CA SER A 5 0.086 12.922 11.290 1.00 0.00 C ATOM 39 C SER A 5 -0.839 13.807 10.460 1.00 0.00 C ATOM 40 O SER A 5 -2.043 13.564 10.381 1.00 0.00 O ATOM 41 CB SER A 5 0.430 11.652 10.510 1.00 0.00 C ATOM 42 OG SER A 5 1.729 11.189 10.837 1.00 0.00 O ATOM 0 H SER A 5 -1.317 11.936 12.497 1.00 0.00 H new ATOM 0 HA SER A 5 1.003 13.474 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.303 10.876 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.370 11.851 9.440 1.00 0.00 H new ATOM 0 HG SER A 5 1.924 10.375 10.327 1.00 0.00 H new ATOM 48 N SER A 6 -0.267 14.836 9.843 1.00 0.00 N ATOM 49 CA SER A 6 -1.039 15.761 9.022 1.00 0.00 C ATOM 50 C SER A 6 -0.723 15.568 7.542 1.00 0.00 C ATOM 51 O SER A 6 0.234 16.138 7.021 1.00 0.00 O ATOM 52 CB SER A 6 -0.749 17.206 9.433 1.00 0.00 C ATOM 53 OG SER A 6 0.622 17.518 9.263 1.00 0.00 O ATOM 0 H SER A 6 0.729 15.050 9.896 1.00 0.00 H new ATOM 0 HA SER A 6 -2.097 15.551 9.180 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.357 17.886 8.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.033 17.355 10.475 1.00 0.00 H new ATOM 0 HG SER A 6 0.938 17.149 8.412 1.00 0.00 H new ATOM 59 N GLY A 7 -1.535 14.757 6.870 1.00 0.00 N ATOM 60 CA GLY A 7 -1.326 14.502 5.457 1.00 0.00 C ATOM 61 C GLY A 7 -0.890 13.077 5.184 1.00 0.00 C ATOM 62 O GLY A 7 0.208 12.673 5.565 1.00 0.00 O ATOM 0 H GLY A 7 -2.334 14.272 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.248 14.707 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.571 15.189 5.075 1.00 0.00 H new ATOM 66 N MET A 8 -1.753 12.312 4.523 1.00 0.00 N ATOM 67 CA MET A 8 -1.450 10.922 4.200 1.00 0.00 C ATOM 68 C MET A 8 -1.415 10.711 2.689 1.00 0.00 C ATOM 69 O MET A 8 -2.293 11.181 1.967 1.00 0.00 O ATOM 70 CB MET A 8 -2.486 9.992 4.832 1.00 0.00 C ATOM 71 CG MET A 8 -3.906 10.245 4.351 1.00 0.00 C ATOM 72 SD MET A 8 -5.031 8.900 4.768 1.00 0.00 S ATOM 73 CE MET A 8 -5.682 9.477 6.334 1.00 0.00 C ATOM 0 H MET A 8 -2.667 12.631 4.201 1.00 0.00 H new ATOM 0 HA MET A 8 -0.466 10.687 4.605 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.216 8.959 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.452 10.107 5.915 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.275 11.171 4.791 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.900 10.386 3.270 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.396 8.750 6.722 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.865 9.598 7.045 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.182 10.435 6.189 1.00 0.00 H new ATOM 83 N ALA A 9 -0.394 10.001 2.219 1.00 0.00 N ATOM 84 CA ALA A 9 -0.246 9.726 0.795 1.00 0.00 C ATOM 85 C ALA A 9 -0.889 8.395 0.424 1.00 0.00 C ATOM 86 O ALA A 9 -1.270 7.613 1.296 1.00 0.00 O ATOM 87 CB ALA A 9 1.225 9.731 0.407 1.00 0.00 C ATOM 0 H ALA A 9 0.343 9.606 2.804 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.758 10.513 0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.321 9.524 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.656 10.708 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.753 8.965 0.974 1.00 0.00 H new ATOM 93 N LEU A 10 -1.007 8.142 -0.875 1.00 0.00 N ATOM 94 CA LEU A 10 -1.605 6.904 -1.363 1.00 0.00 C ATOM 95 C LEU A 10 -0.635 6.151 -2.267 1.00 0.00 C ATOM 96 O LEU A 10 -0.784 4.949 -2.487 1.00 0.00 O ATOM 97 CB LEU A 10 -2.899 7.204 -2.121 1.00 0.00 C ATOM 98 CG LEU A 10 -2.744 7.958 -3.443 1.00 0.00 C ATOM 99 CD1 LEU A 10 -2.371 7.000 -4.563 1.00 0.00 C ATOM 100 CD2 LEU A 10 -4.024 8.708 -3.783 1.00 0.00 C ATOM 0 H LEU A 10 -0.696 8.778 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.833 6.275 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.406 6.260 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.552 7.784 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.940 8.685 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.265 7.554 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.428 6.510 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.153 6.248 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.895 9.238 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.847 8.000 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.247 9.424 -2.992 1.00 0.00 H new ATOM 112 N GLU A 11 0.358 6.865 -2.787 1.00 0.00 N ATOM 113 CA GLU A 11 1.353 6.262 -3.666 1.00 0.00 C ATOM 114 C GLU A 11 2.767 6.591 -3.195 1.00 0.00 C ATOM 115 O GLU A 11 3.447 7.432 -3.781 1.00 0.00 O ATOM 116 CB GLU A 11 1.157 6.748 -5.104 1.00 0.00 C ATOM 117 CG GLU A 11 0.652 8.178 -5.199 1.00 0.00 C ATOM 118 CD GLU A 11 0.042 8.492 -6.551 1.00 0.00 C ATOM 119 OE1 GLU A 11 0.562 7.987 -7.568 1.00 0.00 O ATOM 120 OE2 GLU A 11 -0.955 9.243 -6.592 1.00 0.00 O ATOM 0 H GLU A 11 0.495 7.861 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 11 1.220 5.181 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.104 6.670 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.452 6.088 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.091 8.349 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.477 8.864 -5.009 1.00 0.00 H new ATOM 127 N GLN A 12 3.200 5.921 -2.132 1.00 0.00 N ATOM 128 CA GLN A 12 4.532 6.143 -1.581 1.00 0.00 C ATOM 129 C GLN A 12 5.284 4.825 -1.427 1.00 0.00 C ATOM 130 O GLN A 12 4.686 3.749 -1.453 1.00 0.00 O ATOM 131 CB GLN A 12 4.436 6.849 -0.227 1.00 0.00 C ATOM 132 CG GLN A 12 3.973 8.294 -0.327 1.00 0.00 C ATOM 133 CD GLN A 12 5.048 9.215 -0.870 1.00 0.00 C ATOM 134 OE1 GLN A 12 6.215 8.834 -0.970 1.00 0.00 O ATOM 135 NE2 GLN A 12 4.660 10.435 -1.223 1.00 0.00 N ATOM 0 H GLN A 12 2.649 5.221 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 12 5.084 6.777 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.746 6.298 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.412 6.821 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.095 8.347 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.666 8.642 0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.682 10.708 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.340 11.099 -1.594 1.00 0.00 H new ATOM 144 N THR A 13 6.601 4.916 -1.268 1.00 0.00 N ATOM 145 CA THR A 13 7.435 3.731 -1.111 1.00 0.00 C ATOM 146 C THR A 13 8.244 3.794 0.179 1.00 0.00 C ATOM 147 O THR A 13 8.629 2.764 0.734 1.00 0.00 O ATOM 148 CB THR A 13 8.400 3.563 -2.300 1.00 0.00 C ATOM 149 OG1 THR A 13 9.303 4.672 -2.359 1.00 0.00 O ATOM 150 CG2 THR A 13 7.632 3.457 -3.609 1.00 0.00 C ATOM 0 H THR A 13 7.113 5.798 -1.245 1.00 0.00 H new ATOM 0 HA THR A 13 6.762 2.874 -1.073 1.00 0.00 H new ATOM 0 HB THR A 13 8.966 2.643 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.914 4.556 -3.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.334 3.339 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.967 2.594 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.044 4.362 -3.760 1.00 0.00 H new ATOM 158 N LEU A 14 8.498 5.009 0.654 1.00 0.00 N ATOM 159 CA LEU A 14 9.261 5.206 1.881 1.00 0.00 C ATOM 160 C LEU A 14 8.355 5.673 3.016 1.00 0.00 C ATOM 161 O LEU A 14 8.393 5.128 4.120 1.00 0.00 O ATOM 162 CB LEU A 14 10.378 6.226 1.652 1.00 0.00 C ATOM 163 CG LEU A 14 11.411 5.862 0.586 1.00 0.00 C ATOM 164 CD1 LEU A 14 12.309 7.052 0.285 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.238 4.665 1.031 1.00 0.00 C ATOM 0 H LEU A 14 8.187 5.872 0.208 1.00 0.00 H new ATOM 0 HA LEU A 14 9.703 4.250 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.923 7.178 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.899 6.382 2.596 1.00 0.00 H new ATOM 0 HG LEU A 14 10.882 5.592 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.038 6.774 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.703 7.882 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.830 7.354 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.968 4.420 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.757 4.906 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.582 3.810 1.194 1.00 0.00 H new ATOM 177 N LYS A 15 7.539 6.684 2.738 1.00 0.00 N ATOM 178 CA LYS A 15 6.620 7.223 3.733 1.00 0.00 C ATOM 179 C LYS A 15 5.774 6.114 4.349 1.00 0.00 C ATOM 180 O LYS A 15 5.548 6.090 5.559 1.00 0.00 O ATOM 181 CB LYS A 15 5.712 8.280 3.099 1.00 0.00 C ATOM 182 CG LYS A 15 4.658 8.824 4.048 1.00 0.00 C ATOM 183 CD LYS A 15 5.233 9.883 4.973 1.00 0.00 C ATOM 184 CE LYS A 15 5.239 11.254 4.315 1.00 0.00 C ATOM 185 NZ LYS A 15 6.378 11.410 3.369 1.00 0.00 N ATOM 0 H LYS A 15 7.496 7.147 1.830 1.00 0.00 H new ATOM 0 HA LYS A 15 7.210 7.687 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.326 9.106 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.217 7.848 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.835 9.249 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.245 8.008 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.648 9.922 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.250 9.609 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.301 11.405 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.297 12.025 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.774 12.367 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.113 10.709 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.043 11.263 2.395 1.00 0.00 H new ATOM 199 N LYS A 16 5.308 5.196 3.509 1.00 0.00 N ATOM 200 CA LYS A 16 4.488 4.081 3.970 1.00 0.00 C ATOM 201 C LYS A 16 5.162 3.354 5.129 1.00 0.00 C ATOM 202 O LYS A 16 6.378 3.435 5.302 1.00 0.00 O ATOM 203 CB LYS A 16 4.228 3.104 2.822 1.00 0.00 C ATOM 204 CG LYS A 16 3.004 3.451 1.993 1.00 0.00 C ATOM 205 CD LYS A 16 1.728 2.937 2.639 1.00 0.00 C ATOM 206 CE LYS A 16 0.512 3.212 1.767 1.00 0.00 C ATOM 207 NZ LYS A 16 0.360 4.663 1.469 1.00 0.00 N ATOM 0 H LYS A 16 5.484 5.202 2.504 1.00 0.00 H new ATOM 0 HA LYS A 16 3.536 4.481 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.102 3.080 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.107 2.101 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.941 4.532 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.106 3.023 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.815 1.865 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.595 3.411 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.602 2.657 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.385 2.848 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.577 4.835 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.453 5.210 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.098 4.959 0.798 1.00 0.00 H new ATOM 221 N ASP A 17 4.365 2.642 5.919 1.00 0.00 N ATOM 222 CA ASP A 17 4.885 1.898 7.060 1.00 0.00 C ATOM 223 C ASP A 17 4.728 0.396 6.846 1.00 0.00 C ATOM 224 O ASP A 17 3.735 -0.200 7.264 1.00 0.00 O ATOM 225 CB ASP A 17 4.168 2.321 8.342 1.00 0.00 C ATOM 226 CG ASP A 17 3.992 3.824 8.439 1.00 0.00 C ATOM 227 OD1 ASP A 17 5.013 4.543 8.406 1.00 0.00 O ATOM 228 OD2 ASP A 17 2.835 4.281 8.547 1.00 0.00 O ATOM 0 H ASP A 17 3.356 2.565 5.790 1.00 0.00 H new ATOM 0 HA ASP A 17 5.947 2.124 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.191 1.840 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.734 1.968 9.204 1.00 0.00 H new ATOM 233 N TRP A 18 5.712 -0.210 6.192 1.00 0.00 N ATOM 234 CA TRP A 18 5.682 -1.643 5.921 1.00 0.00 C ATOM 235 C TRP A 18 5.755 -2.443 7.217 1.00 0.00 C ATOM 236 O TRP A 18 5.054 -3.442 7.381 1.00 0.00 O ATOM 237 CB TRP A 18 6.839 -2.033 5.000 1.00 0.00 C ATOM 238 CG TRP A 18 7.001 -1.114 3.828 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.160 -0.536 3.393 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.970 -0.665 2.941 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.911 0.244 2.290 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.576 0.181 1.993 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.595 -0.898 2.856 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.852 0.795 0.974 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.878 -0.288 1.844 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.507 0.550 0.914 1.00 0.00 C ATOM 0 H TRP A 18 6.541 0.268 5.839 1.00 0.00 H new ATOM 0 HA TRP A 18 4.739 -1.875 5.426 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.765 -2.043 5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.679 -3.048 4.637 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.129 -0.672 3.849 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.608 0.783 1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.101 -1.543 3.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.335 1.442 0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.814 -0.460 1.769 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.919 1.012 0.135 1.00 0.00 H new ATOM 257 N TYR A 19 6.607 -1.998 8.134 1.00 0.00 N ATOM 258 CA TYR A 19 6.773 -2.675 9.415 1.00 0.00 C ATOM 259 C TYR A 19 5.458 -2.707 10.189 1.00 0.00 C ATOM 260 O TYR A 19 5.311 -3.455 11.155 1.00 0.00 O ATOM 261 CB TYR A 19 7.850 -1.979 10.248 1.00 0.00 C ATOM 262 CG TYR A 19 9.254 -2.210 9.737 1.00 0.00 C ATOM 263 CD1 TYR A 19 9.705 -3.491 9.441 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.130 -1.148 9.549 1.00 0.00 C ATOM 265 CE1 TYR A 19 10.987 -3.706 8.975 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.413 -1.354 9.082 1.00 0.00 C ATOM 267 CZ TYR A 19 11.838 -2.635 8.796 1.00 0.00 C ATOM 268 OH TYR A 19 13.115 -2.846 8.331 1.00 0.00 O ATOM 0 H TYR A 19 7.193 -1.172 8.014 1.00 0.00 H new ATOM 0 HA TYR A 19 7.083 -3.701 9.217 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.650 -0.908 10.263 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.785 -2.330 11.278 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.042 -4.332 9.578 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.802 -0.144 9.772 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.322 -4.708 8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.080 -0.517 8.941 1.00 0.00 H new ATOM 0 HH TYR A 19 13.760 -2.456 8.958 1.00 0.00 H new ATOM 278 N SER A 20 4.503 -1.891 9.754 1.00 0.00 N ATOM 279 CA SER A 20 3.201 -1.822 10.407 1.00 0.00 C ATOM 280 C SER A 20 2.159 -2.614 9.623 1.00 0.00 C ATOM 281 O SER A 20 1.326 -3.309 10.205 1.00 0.00 O ATOM 282 CB SER A 20 2.753 -0.366 10.545 1.00 0.00 C ATOM 283 OG SER A 20 1.869 -0.206 11.642 1.00 0.00 O ATOM 0 H SER A 20 4.606 -1.269 8.952 1.00 0.00 H new ATOM 0 HA SER A 20 3.296 -2.261 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.624 0.275 10.680 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.260 -0.045 9.627 1.00 0.00 H new ATOM 0 HG SER A 20 1.599 0.733 11.710 1.00 0.00 H new ATOM 289 N ILE A 21 2.212 -2.503 8.300 1.00 0.00 N ATOM 290 CA ILE A 21 1.274 -3.210 7.436 1.00 0.00 C ATOM 291 C ILE A 21 1.472 -4.719 7.528 1.00 0.00 C ATOM 292 O ILE A 21 0.567 -5.495 7.217 1.00 0.00 O ATOM 293 CB ILE A 21 1.423 -2.772 5.967 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.250 -1.257 5.844 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.412 -3.499 5.093 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.905 -0.673 4.612 1.00 0.00 C ATOM 0 H ILE A 21 2.894 -1.930 7.803 1.00 0.00 H new ATOM 0 HA ILE A 21 0.272 -2.956 7.783 1.00 0.00 H new ATOM 0 HB ILE A 21 2.424 -3.033 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.186 -1.021 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.668 -0.778 6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.529 -3.179 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.578 -4.574 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.597 -3.265 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.742 0.405 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.975 -0.878 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.470 -1.124 3.720 1.00 0.00 H new ATOM 308 N LEU A 22 2.660 -5.129 7.958 1.00 0.00 N ATOM 309 CA LEU A 22 2.977 -6.547 8.094 1.00 0.00 C ATOM 310 C LEU A 22 3.037 -6.954 9.562 1.00 0.00 C ATOM 311 O LEU A 22 3.491 -8.047 9.896 1.00 0.00 O ATOM 312 CB LEU A 22 4.310 -6.859 7.412 1.00 0.00 C ATOM 313 CG LEU A 22 4.409 -6.491 5.931 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.844 -6.617 5.444 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.483 -7.368 5.100 1.00 0.00 C ATOM 0 H LEU A 22 3.420 -4.500 8.219 1.00 0.00 H new ATOM 0 HA LEU A 22 2.185 -7.119 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.101 -6.336 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.507 -7.926 7.514 1.00 0.00 H new ATOM 0 HG LEU A 22 4.097 -5.453 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.895 -6.351 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.483 -5.946 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.184 -7.644 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.567 -7.092 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.764 -8.414 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.454 -7.227 5.431 1.00 0.00 H new ATOM 327 N GLY A 23 2.572 -6.066 10.437 1.00 0.00 N ATOM 328 CA GLY A 23 2.580 -6.352 11.859 1.00 0.00 C ATOM 329 C GLY A 23 3.909 -6.905 12.333 1.00 0.00 C ATOM 330 O GLY A 23 3.952 -7.851 13.118 1.00 0.00 O ATOM 0 H GLY A 23 2.190 -5.154 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.352 -5.440 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.790 -7.068 12.087 1.00 0.00 H new ATOM 334 N ALA A 24 4.999 -6.314 11.852 1.00 0.00 N ATOM 335 CA ALA A 24 6.336 -6.753 12.231 1.00 0.00 C ATOM 336 C ALA A 24 7.128 -5.615 12.865 1.00 0.00 C ATOM 337 O ALA A 24 6.613 -4.511 13.042 1.00 0.00 O ATOM 338 CB ALA A 24 7.075 -7.302 11.019 1.00 0.00 C ATOM 0 H ALA A 24 4.981 -5.530 11.199 1.00 0.00 H new ATOM 0 HA ALA A 24 6.235 -7.547 12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.072 -7.626 11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.525 -8.150 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.158 -6.524 10.260 1.00 0.00 H new ATOM 344 N ASP A 25 8.382 -5.891 13.206 1.00 0.00 N ATOM 345 CA ASP A 25 9.246 -4.890 13.820 1.00 0.00 C ATOM 346 C ASP A 25 10.350 -4.461 12.859 1.00 0.00 C ATOM 347 O ASP A 25 10.721 -5.187 11.937 1.00 0.00 O ATOM 348 CB ASP A 25 9.860 -5.437 15.110 1.00 0.00 C ATOM 349 CG ASP A 25 8.914 -5.336 16.290 1.00 0.00 C ATOM 350 OD1 ASP A 25 8.502 -4.206 16.625 1.00 0.00 O ATOM 351 OD2 ASP A 25 8.585 -6.388 16.877 1.00 0.00 O ATOM 0 H ASP A 25 8.823 -6.800 13.067 1.00 0.00 H new ATOM 0 HA ASP A 25 8.637 -4.018 14.058 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.141 -6.480 14.962 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.775 -4.889 15.334 1.00 0.00 H new ATOM 356 N PRO A 26 10.887 -3.251 13.076 1.00 0.00 N ATOM 357 CA PRO A 26 11.956 -2.697 12.239 1.00 0.00 C ATOM 358 C PRO A 26 13.280 -3.428 12.431 1.00 0.00 C ATOM 359 O PRO A 26 14.264 -3.139 11.750 1.00 0.00 O ATOM 360 CB PRO A 26 12.069 -1.249 12.721 1.00 0.00 C ATOM 361 CG PRO A 26 11.563 -1.275 14.122 1.00 0.00 C ATOM 362 CD PRO A 26 10.493 -2.331 14.156 1.00 0.00 C ATOM 0 HA PRO A 26 11.732 -2.790 11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.100 -0.897 12.679 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.477 -0.577 12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.365 -1.509 14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.162 -0.303 14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.458 -2.836 15.121 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.504 -1.907 13.982 1.00 0.00 H new ATOM 370 N SER A 27 13.298 -4.377 13.362 1.00 0.00 N ATOM 371 CA SER A 27 14.503 -5.147 13.645 1.00 0.00 C ATOM 372 C SER A 27 14.260 -6.637 13.423 1.00 0.00 C ATOM 373 O SER A 27 14.887 -7.481 14.063 1.00 0.00 O ATOM 374 CB SER A 27 14.963 -4.903 15.084 1.00 0.00 C ATOM 375 OG SER A 27 16.368 -5.043 15.201 1.00 0.00 O ATOM 0 H SER A 27 12.492 -4.631 13.933 1.00 0.00 H new ATOM 0 HA SER A 27 15.284 -4.818 12.960 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.667 -3.903 15.399 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.467 -5.607 15.752 1.00 0.00 H new ATOM 0 HG SER A 27 16.637 -4.881 16.129 1.00 0.00 H new ATOM 381 N ALA A 28 13.346 -6.952 12.511 1.00 0.00 N ATOM 382 CA ALA A 28 13.021 -8.339 12.202 1.00 0.00 C ATOM 383 C ALA A 28 13.881 -8.861 11.056 1.00 0.00 C ATOM 384 O ALA A 28 14.595 -8.099 10.406 1.00 0.00 O ATOM 385 CB ALA A 28 11.545 -8.471 11.860 1.00 0.00 C ATOM 0 H ALA A 28 12.817 -6.265 11.973 1.00 0.00 H new ATOM 0 HA ALA A 28 13.233 -8.942 13.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.316 -9.512 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.944 -8.145 12.709 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.315 -7.850 10.994 1.00 0.00 H new ATOM 391 N ASN A 29 13.807 -10.166 10.814 1.00 0.00 N ATOM 392 CA ASN A 29 14.580 -10.791 9.747 1.00 0.00 C ATOM 393 C ASN A 29 13.668 -11.251 8.613 1.00 0.00 C ATOM 394 O ASN A 29 12.494 -11.550 8.830 1.00 0.00 O ATOM 395 CB ASN A 29 15.374 -11.979 10.293 1.00 0.00 C ATOM 396 CG ASN A 29 16.525 -11.547 11.180 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.516 -10.993 10.704 1.00 0.00 O ATOM 398 ND2 ASN A 29 16.399 -11.799 12.478 1.00 0.00 N ATOM 0 H ASN A 29 13.220 -10.811 11.342 1.00 0.00 H new ATOM 0 HA ASN A 29 15.275 -10.050 9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.707 -12.629 10.859 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.761 -12.567 9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.141 -11.531 13.124 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.560 -12.260 12.829 1.00 0.00 H new ATOM 405 N MET A 30 14.218 -11.306 7.405 1.00 0.00 N ATOM 406 CA MET A 30 13.456 -11.732 6.237 1.00 0.00 C ATOM 407 C MET A 30 12.550 -12.911 6.580 1.00 0.00 C ATOM 408 O MET A 30 11.359 -12.901 6.269 1.00 0.00 O ATOM 409 CB MET A 30 14.400 -12.114 5.096 1.00 0.00 C ATOM 410 CG MET A 30 15.482 -11.080 4.830 1.00 0.00 C ATOM 411 SD MET A 30 14.875 -9.388 4.970 1.00 0.00 S ATOM 412 CE MET A 30 14.267 -9.108 3.309 1.00 0.00 C ATOM 0 H MET A 30 15.189 -11.061 7.209 1.00 0.00 H new ATOM 0 HA MET A 30 12.832 -10.897 5.917 1.00 0.00 H new ATOM 0 HB2 MET A 30 14.871 -13.069 5.329 1.00 0.00 H new ATOM 0 HB3 MET A 30 13.817 -12.260 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 30 16.301 -11.227 5.534 1.00 0.00 H new ATOM 0 HG3 MET A 30 15.889 -11.234 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.860 -8.328 2.831 1.00 0.00 H new ATOM 0 HE2 MET A 30 14.347 -10.029 2.732 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.224 -8.796 3.351 1.00 0.00 H new ATOM 422 N SER A 31 13.123 -13.924 7.221 1.00 0.00 N ATOM 423 CA SER A 31 12.367 -15.112 7.602 1.00 0.00 C ATOM 424 C SER A 31 11.104 -14.731 8.367 1.00 0.00 C ATOM 425 O SER A 31 10.003 -15.166 8.026 1.00 0.00 O ATOM 426 CB SER A 31 13.233 -16.041 8.456 1.00 0.00 C ATOM 427 OG SER A 31 14.392 -16.449 7.751 1.00 0.00 O ATOM 0 H SER A 31 14.107 -13.947 7.487 1.00 0.00 H new ATOM 0 HA SER A 31 12.075 -15.634 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.523 -15.531 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.654 -16.917 8.748 1.00 0.00 H new ATOM 0 HG SER A 31 14.929 -17.040 8.319 1.00 0.00 H new ATOM 433 N ASP A 32 11.270 -13.915 9.402 1.00 0.00 N ATOM 434 CA ASP A 32 10.143 -13.472 10.215 1.00 0.00 C ATOM 435 C ASP A 32 9.205 -12.582 9.406 1.00 0.00 C ATOM 436 O ASP A 32 8.030 -12.904 9.224 1.00 0.00 O ATOM 437 CB ASP A 32 10.643 -12.719 11.450 1.00 0.00 C ATOM 438 CG ASP A 32 10.889 -13.640 12.629 1.00 0.00 C ATOM 439 OD1 ASP A 32 10.034 -14.511 12.890 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.938 -13.489 13.291 1.00 0.00 O ATOM 0 H ASP A 32 12.174 -13.547 9.698 1.00 0.00 H new ATOM 0 HA ASP A 32 9.589 -14.354 10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.566 -12.195 11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.912 -11.961 11.731 1.00 0.00 H new ATOM 445 N LEU A 33 9.731 -11.462 8.924 1.00 0.00 N ATOM 446 CA LEU A 33 8.940 -10.523 8.135 1.00 0.00 C ATOM 447 C LEU A 33 8.116 -11.257 7.082 1.00 0.00 C ATOM 448 O LEU A 33 6.952 -10.931 6.850 1.00 0.00 O ATOM 449 CB LEU A 33 9.852 -9.497 7.461 1.00 0.00 C ATOM 450 CG LEU A 33 10.583 -8.533 8.396 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.822 -7.968 7.719 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.655 -7.410 8.835 1.00 0.00 C ATOM 0 H LEU A 33 10.701 -11.181 9.065 1.00 0.00 H new ATOM 0 HA LEU A 33 8.257 -10.005 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.595 -10.033 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.253 -8.911 6.763 1.00 0.00 H new ATOM 0 HG LEU A 33 10.898 -9.085 9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.329 -7.284 8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.496 -8.783 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.531 -7.431 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.192 -6.733 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.310 -6.860 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.798 -7.831 9.361 1.00 0.00 H new ATOM 464 N LYS A 34 8.727 -12.252 6.447 1.00 0.00 N ATOM 465 CA LYS A 34 8.051 -13.035 5.420 1.00 0.00 C ATOM 466 C LYS A 34 6.891 -13.828 6.016 1.00 0.00 C ATOM 467 O LYS A 34 5.797 -13.860 5.454 1.00 0.00 O ATOM 468 CB LYS A 34 9.039 -13.988 4.743 1.00 0.00 C ATOM 469 CG LYS A 34 8.444 -14.747 3.569 1.00 0.00 C ATOM 470 CD LYS A 34 9.130 -16.088 3.367 1.00 0.00 C ATOM 471 CE LYS A 34 9.091 -16.520 1.909 1.00 0.00 C ATOM 472 NZ LYS A 34 9.653 -17.886 1.720 1.00 0.00 N ATOM 0 H LYS A 34 9.690 -12.535 6.626 1.00 0.00 H new ATOM 0 HA LYS A 34 7.653 -12.345 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.902 -13.418 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.404 -14.703 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.379 -14.904 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.538 -14.149 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.166 -16.022 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.644 -16.843 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.062 -16.498 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.654 -15.809 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.608 -18.144 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.643 -17.901 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.100 -18.569 2.277 1.00 0.00 H new ATOM 486 N GLN A 35 7.140 -14.463 7.157 1.00 0.00 N ATOM 487 CA GLN A 35 6.115 -15.254 7.828 1.00 0.00 C ATOM 488 C GLN A 35 4.888 -14.404 8.139 1.00 0.00 C ATOM 489 O GLN A 35 3.754 -14.822 7.903 1.00 0.00 O ATOM 490 CB GLN A 35 6.672 -15.858 9.119 1.00 0.00 C ATOM 491 CG GLN A 35 7.601 -17.039 8.887 1.00 0.00 C ATOM 492 CD GLN A 35 6.874 -18.258 8.355 1.00 0.00 C ATOM 493 OE1 GLN A 35 5.931 -18.752 8.974 1.00 0.00 O ATOM 494 NE2 GLN A 35 7.309 -18.752 7.202 1.00 0.00 N ATOM 0 H GLN A 35 8.041 -14.445 7.635 1.00 0.00 H new ATOM 0 HA GLN A 35 5.816 -16.059 7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.210 -15.086 9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.842 -16.178 9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.381 -16.750 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.096 -17.296 9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.094 -18.311 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.858 -19.572 6.796 1.00 0.00 H new ATOM 503 N LYS A 36 5.121 -13.209 8.670 1.00 0.00 N ATOM 504 CA LYS A 36 4.035 -12.298 9.013 1.00 0.00 C ATOM 505 C LYS A 36 3.295 -11.838 7.761 1.00 0.00 C ATOM 506 O LYS A 36 2.074 -11.682 7.772 1.00 0.00 O ATOM 507 CB LYS A 36 4.579 -11.086 9.772 1.00 0.00 C ATOM 508 CG LYS A 36 4.833 -11.354 11.245 1.00 0.00 C ATOM 509 CD LYS A 36 6.247 -11.856 11.485 1.00 0.00 C ATOM 510 CE LYS A 36 6.741 -11.488 12.875 1.00 0.00 C ATOM 511 NZ LYS A 36 7.747 -12.462 13.382 1.00 0.00 N ATOM 0 H LYS A 36 6.053 -12.848 8.873 1.00 0.00 H new ATOM 0 HA LYS A 36 3.333 -12.833 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.509 -10.763 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.872 -10.262 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.669 -10.440 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.118 -12.091 11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.275 -12.939 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.916 -11.433 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.180 -10.491 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.896 -11.448 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.383 -12.921 14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.929 -13.183 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.632 -11.963 13.604 1.00 0.00 H new ATOM 525 N TYR A 37 4.042 -11.623 6.684 1.00 0.00 N ATOM 526 CA TYR A 37 3.457 -11.180 5.424 1.00 0.00 C ATOM 527 C TYR A 37 2.565 -12.264 4.826 1.00 0.00 C ATOM 528 O TYR A 37 1.363 -12.066 4.650 1.00 0.00 O ATOM 529 CB TYR A 37 4.557 -10.804 4.431 1.00 0.00 C ATOM 530 CG TYR A 37 4.130 -10.911 2.984 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.506 -9.847 2.343 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.349 -12.075 2.259 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.113 -9.941 1.022 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.961 -12.177 0.937 1.00 0.00 C ATOM 535 CZ TYR A 37 3.343 -11.107 0.323 1.00 0.00 C ATOM 536 OH TYR A 37 2.954 -11.205 -0.993 1.00 0.00 O ATOM 0 H TYR A 37 5.054 -11.748 6.658 1.00 0.00 H new ATOM 0 HA TYR A 37 2.844 -10.302 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.881 -9.783 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.419 -11.450 4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.325 -8.932 2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.831 -12.915 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.628 -9.105 0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.140 -13.089 0.387 1.00 0.00 H new ATOM 0 HH TYR A 37 3.190 -12.091 -1.339 1.00 0.00 H new ATOM 546 N GLN A 38 3.164 -13.410 4.518 1.00 0.00 N ATOM 547 CA GLN A 38 2.425 -14.526 3.939 1.00 0.00 C ATOM 548 C GLN A 38 1.202 -14.864 4.785 1.00 0.00 C ATOM 549 O GLN A 38 0.191 -15.344 4.270 1.00 0.00 O ATOM 550 CB GLN A 38 3.329 -15.753 3.814 1.00 0.00 C ATOM 551 CG GLN A 38 4.494 -15.556 2.858 1.00 0.00 C ATOM 552 CD GLN A 38 5.013 -16.863 2.292 1.00 0.00 C ATOM 553 OE1 GLN A 38 5.112 -17.864 3.002 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.347 -16.860 1.007 1.00 0.00 N ATOM 0 H GLN A 38 4.158 -13.590 4.660 1.00 0.00 H new ATOM 0 HA GLN A 38 2.087 -14.231 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.718 -16.009 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.732 -16.601 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.181 -14.909 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.303 -15.043 3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.248 -16.007 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.702 -17.711 0.570 1.00 0.00 H new ATOM 563 N LYS A 39 1.299 -14.612 6.086 1.00 0.00 N ATOM 564 CA LYS A 39 0.201 -14.889 7.003 1.00 0.00 C ATOM 565 C LYS A 39 -0.822 -13.758 6.985 1.00 0.00 C ATOM 566 O LYS A 39 -1.996 -13.964 7.297 1.00 0.00 O ATOM 567 CB LYS A 39 0.734 -15.086 8.425 1.00 0.00 C ATOM 568 CG LYS A 39 -0.222 -14.608 9.504 1.00 0.00 C ATOM 569 CD LYS A 39 -1.468 -15.475 9.570 1.00 0.00 C ATOM 570 CE LYS A 39 -2.674 -14.682 10.049 1.00 0.00 C ATOM 571 NZ LYS A 39 -3.752 -15.570 10.566 1.00 0.00 N ATOM 0 H LYS A 39 2.128 -14.216 6.529 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.290 -15.805 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.946 -16.144 8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.679 -14.553 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.283 -14.621 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.507 -13.575 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.674 -15.893 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.293 -16.315 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.366 -13.991 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.062 -14.080 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.309 -15.060 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.373 -15.854 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.328 -16.417 10.996 1.00 0.00 H new ATOM 585 N LEU A 40 -0.371 -12.564 6.617 1.00 0.00 N ATOM 586 CA LEU A 40 -1.247 -11.400 6.556 1.00 0.00 C ATOM 587 C LEU A 40 -1.771 -11.186 5.139 1.00 0.00 C ATOM 588 O LEU A 40 -2.277 -10.113 4.810 1.00 0.00 O ATOM 589 CB LEU A 40 -0.503 -10.151 7.031 1.00 0.00 C ATOM 590 CG LEU A 40 -0.262 -10.045 8.537 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.632 -8.856 8.853 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.585 -9.933 9.282 1.00 0.00 C ATOM 0 H LEU A 40 0.597 -12.377 6.356 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.097 -11.581 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.462 -10.113 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.065 -9.274 6.711 1.00 0.00 H new ATOM 0 HG LEU A 40 0.244 -10.952 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.792 -8.797 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.591 -8.978 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.154 -7.939 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.395 -9.858 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.118 -9.044 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.191 -10.817 9.082 1.00 0.00 H new ATOM 604 N ILE A 41 -1.648 -12.214 4.307 1.00 0.00 N ATOM 605 CA ILE A 41 -2.112 -12.140 2.927 1.00 0.00 C ATOM 606 C ILE A 41 -3.396 -12.940 2.735 1.00 0.00 C ATOM 607 O ILE A 41 -4.261 -12.566 1.941 1.00 0.00 O ATOM 608 CB ILE A 41 -1.045 -12.659 1.946 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.059 -11.615 1.760 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.681 -13.008 0.609 1.00 0.00 C ATOM 611 CD1 ILE A 41 -0.261 -10.577 0.708 1.00 0.00 C ATOM 0 H ILE A 41 -1.231 -13.109 4.564 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.307 -11.089 2.716 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.599 -13.562 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.237 -11.113 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.985 -12.122 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.914 -13.373 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.435 -13.781 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.150 -12.120 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.565 -9.871 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.410 -11.068 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.169 -10.043 0.988 1.00 0.00 H new ATOM 623 N LEU A 42 -3.515 -14.042 3.467 1.00 0.00 N ATOM 624 CA LEU A 42 -4.695 -14.895 3.379 1.00 0.00 C ATOM 625 C LEU A 42 -5.883 -14.256 4.090 1.00 0.00 C ATOM 626 O LEU A 42 -7.034 -14.454 3.698 1.00 0.00 O ATOM 627 CB LEU A 42 -4.401 -16.269 3.986 1.00 0.00 C ATOM 628 CG LEU A 42 -2.932 -16.692 4.009 1.00 0.00 C ATOM 629 CD1 LEU A 42 -2.805 -18.156 4.402 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.284 -16.443 2.655 1.00 0.00 C ATOM 0 H LEU A 42 -2.809 -14.366 4.128 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.948 -15.016 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.778 -16.280 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.965 -17.018 3.430 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.412 -16.090 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.753 -18.440 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.231 -18.305 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.340 -18.774 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.239 -16.750 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.806 -17.019 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.343 -15.382 2.413 1.00 0.00 H new ATOM 642 N LEU A 43 -5.598 -13.487 5.135 1.00 0.00 N ATOM 643 CA LEU A 43 -6.643 -12.816 5.900 1.00 0.00 C ATOM 644 C LEU A 43 -7.325 -11.740 5.061 1.00 0.00 C ATOM 645 O LEU A 43 -8.476 -11.381 5.311 1.00 0.00 O ATOM 646 CB LEU A 43 -6.055 -12.194 7.168 1.00 0.00 C ATOM 647 CG LEU A 43 -5.841 -13.146 8.345 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.897 -12.530 9.365 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.171 -13.501 8.993 1.00 0.00 C ATOM 0 H LEU A 43 -4.651 -13.313 5.472 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.389 -13.560 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.097 -11.740 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.714 -11.389 7.493 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.387 -14.063 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.757 -13.222 10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.935 -12.328 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.322 -11.598 9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.999 -14.179 9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.653 -12.593 9.356 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.815 -13.985 8.259 1.00 0.00 H new ATOM 661 N TYR A 44 -6.609 -11.231 4.065 1.00 0.00 N ATOM 662 CA TYR A 44 -7.145 -10.196 3.189 1.00 0.00 C ATOM 663 C TYR A 44 -7.470 -10.763 1.811 1.00 0.00 C ATOM 664 O TYR A 44 -8.346 -10.257 1.109 1.00 0.00 O ATOM 665 CB TYR A 44 -6.149 -9.043 3.057 1.00 0.00 C ATOM 666 CG TYR A 44 -5.751 -8.432 4.382 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.875 -9.088 5.238 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.251 -7.197 4.777 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.510 -8.533 6.449 1.00 0.00 C ATOM 670 CE2 TYR A 44 -5.891 -6.634 5.986 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.020 -7.306 6.819 1.00 0.00 C ATOM 672 OH TYR A 44 -4.658 -6.750 8.024 1.00 0.00 O ATOM 0 H TYR A 44 -5.656 -11.518 3.844 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.067 -9.821 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.254 -9.403 2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.584 -8.269 2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.473 -10.048 4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.933 -6.668 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.829 -9.057 7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.289 -5.673 6.278 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.104 -5.884 8.132 1.00 0.00 H new ATOM 682 N HIS A 45 -6.757 -11.818 1.429 1.00 0.00 N ATOM 683 CA HIS A 45 -6.968 -12.456 0.135 1.00 0.00 C ATOM 684 C HIS A 45 -8.452 -12.485 -0.220 1.00 0.00 C ATOM 685 O HIS A 45 -9.313 -12.720 0.627 1.00 0.00 O ATOM 686 CB HIS A 45 -6.407 -13.878 0.146 1.00 0.00 C ATOM 687 CG HIS A 45 -5.998 -14.371 -1.208 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.856 -15.037 -2.057 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.814 -14.290 -1.860 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.218 -15.346 -3.172 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.977 -14.904 -3.077 1.00 0.00 N ATOM 0 H HIS A 45 -6.028 -12.249 1.998 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.442 -11.872 -0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.545 -13.915 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.157 -14.553 0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.910 -13.828 -1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.639 -15.870 -4.017 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.256 -15.003 -3.792 1.00 0.00 H new ATOM 700 N PRO A 46 -8.759 -12.240 -1.503 1.00 0.00 N ATOM 701 CA PRO A 46 -10.138 -12.232 -1.999 1.00 0.00 C ATOM 702 C PRO A 46 -10.756 -13.626 -2.016 1.00 0.00 C ATOM 703 O PRO A 46 -11.905 -13.811 -1.616 1.00 0.00 O ATOM 704 CB PRO A 46 -9.999 -11.691 -3.424 1.00 0.00 C ATOM 705 CG PRO A 46 -8.605 -12.031 -3.824 1.00 0.00 C ATOM 706 CD PRO A 46 -7.783 -11.951 -2.567 1.00 0.00 C ATOM 0 HA PRO A 46 -10.796 -11.638 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.726 -12.150 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.169 -10.615 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.556 -13.029 -4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.235 -11.336 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.968 -12.675 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.333 -10.966 -2.443 1.00 0.00 H new ATOM 714 N ASP A 47 -9.986 -14.603 -2.481 1.00 0.00 N ATOM 715 CA ASP A 47 -10.458 -15.982 -2.549 1.00 0.00 C ATOM 716 C ASP A 47 -10.592 -16.579 -1.151 1.00 0.00 C ATOM 717 O ASP A 47 -11.397 -17.483 -0.926 1.00 0.00 O ATOM 718 CB ASP A 47 -9.502 -16.830 -3.389 1.00 0.00 C ATOM 719 CG ASP A 47 -10.101 -18.169 -3.773 1.00 0.00 C ATOM 720 OD1 ASP A 47 -11.215 -18.180 -4.335 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.455 -19.205 -3.510 1.00 0.00 O ATOM 0 H ASP A 47 -9.032 -14.466 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.441 -15.981 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.234 -16.283 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.580 -16.994 -2.831 1.00 0.00 H new ATOM 726 N LYS A 48 -9.798 -16.069 -0.216 1.00 0.00 N ATOM 727 CA LYS A 48 -9.828 -16.550 1.159 1.00 0.00 C ATOM 728 C LYS A 48 -10.892 -15.817 1.970 1.00 0.00 C ATOM 729 O LYS A 48 -10.641 -15.390 3.097 1.00 0.00 O ATOM 730 CB LYS A 48 -8.457 -16.368 1.815 1.00 0.00 C ATOM 731 CG LYS A 48 -7.307 -16.898 0.977 1.00 0.00 C ATOM 732 CD LYS A 48 -7.001 -18.350 1.305 1.00 0.00 C ATOM 733 CE LYS A 48 -5.784 -18.850 0.541 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.709 -20.337 0.530 1.00 0.00 N ATOM 0 H LYS A 48 -9.125 -15.322 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.078 -17.611 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.295 -15.308 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.455 -16.874 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.554 -16.807 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.419 -16.290 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.827 -18.453 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.864 -18.969 1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.822 -18.481 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.879 -18.444 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.866 -20.638 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.648 -20.689 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.561 -20.724 0.076 1.00 0.00 H new ATOM 748 N GLN A 49 -12.079 -15.677 1.389 1.00 0.00 N ATOM 749 CA GLN A 49 -13.181 -14.996 2.059 1.00 0.00 C ATOM 750 C GLN A 49 -14.416 -15.889 2.120 1.00 0.00 C ATOM 751 O GLN A 49 -14.435 -16.979 1.548 1.00 0.00 O ATOM 752 CB GLN A 49 -13.516 -13.690 1.336 1.00 0.00 C ATOM 753 CG GLN A 49 -12.314 -12.785 1.127 1.00 0.00 C ATOM 754 CD GLN A 49 -11.802 -12.185 2.422 1.00 0.00 C ATOM 755 OE1 GLN A 49 -12.480 -11.375 3.055 1.00 0.00 O ATOM 756 NE2 GLN A 49 -10.600 -12.581 2.824 1.00 0.00 N ATOM 0 H GLN A 49 -12.302 -16.026 0.457 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.869 -14.769 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.957 -13.924 0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.271 -13.151 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.514 -13.354 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.584 -11.982 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.073 -13.254 2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.204 -12.212 3.689 1.00 0.00 H new ATOM 765 N SER A 50 -15.446 -15.420 2.818 1.00 0.00 N ATOM 766 CA SER A 50 -16.683 -16.178 2.957 1.00 0.00 C ATOM 767 C SER A 50 -17.843 -15.260 3.333 1.00 0.00 C ATOM 768 O SER A 50 -17.644 -14.204 3.933 1.00 0.00 O ATOM 769 CB SER A 50 -16.521 -17.271 4.014 1.00 0.00 C ATOM 770 OG SER A 50 -17.758 -17.906 4.287 1.00 0.00 O ATOM 0 H SER A 50 -15.448 -14.519 3.296 1.00 0.00 H new ATOM 0 HA SER A 50 -16.905 -16.642 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.798 -18.010 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.121 -16.838 4.931 1.00 0.00 H new ATOM 0 HG SER A 50 -17.626 -18.602 4.965 1.00 0.00 H new ATOM 776 N ALA A 51 -19.055 -15.672 2.974 1.00 0.00 N ATOM 777 CA ALA A 51 -20.247 -14.889 3.275 1.00 0.00 C ATOM 778 C ALA A 51 -20.221 -14.378 4.712 1.00 0.00 C ATOM 779 O ALA A 51 -20.847 -13.368 5.033 1.00 0.00 O ATOM 780 CB ALA A 51 -21.499 -15.719 3.030 1.00 0.00 C ATOM 0 H ALA A 51 -19.237 -16.543 2.475 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.261 -14.025 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.382 -15.122 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.531 -16.029 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.482 -16.601 3.670 1.00 0.00 H new ATOM 786 N ASP A 52 -19.494 -15.083 5.572 1.00 0.00 N ATOM 787 CA ASP A 52 -19.386 -14.700 6.975 1.00 0.00 C ATOM 788 C ASP A 52 -19.024 -13.225 7.109 1.00 0.00 C ATOM 789 O ASP A 52 -19.734 -12.457 7.760 1.00 0.00 O ATOM 790 CB ASP A 52 -18.338 -15.562 7.681 1.00 0.00 C ATOM 791 CG ASP A 52 -18.420 -15.451 9.191 1.00 0.00 C ATOM 792 OD1 ASP A 52 -18.670 -14.334 9.691 1.00 0.00 O ATOM 793 OD2 ASP A 52 -18.235 -16.481 9.872 1.00 0.00 O ATOM 0 H ASP A 52 -18.971 -15.922 5.322 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.355 -14.861 7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.471 -16.603 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.343 -15.263 7.351 1.00 0.00 H new ATOM 798 N VAL A 53 -17.914 -12.834 6.491 1.00 0.00 N ATOM 799 CA VAL A 53 -17.457 -11.450 6.542 1.00 0.00 C ATOM 800 C VAL A 53 -18.442 -10.520 5.844 1.00 0.00 C ATOM 801 O VAL A 53 -18.986 -10.834 4.784 1.00 0.00 O ATOM 802 CB VAL A 53 -16.070 -11.293 5.891 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.107 -12.342 6.426 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.180 -11.381 4.376 1.00 0.00 C ATOM 0 H VAL A 53 -17.314 -13.456 5.949 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.389 -11.178 7.595 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.677 -10.309 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.132 -12.215 5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.006 -12.226 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.492 -13.337 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.191 -11.268 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.594 -12.350 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.834 -10.588 4.012 1.00 0.00 H new ATOM 814 N PRO A 54 -18.679 -9.347 6.449 1.00 0.00 N ATOM 815 CA PRO A 54 -19.600 -8.346 5.902 1.00 0.00 C ATOM 816 C PRO A 54 -19.061 -7.694 4.634 1.00 0.00 C ATOM 817 O PRO A 54 -17.939 -7.971 4.211 1.00 0.00 O ATOM 818 CB PRO A 54 -19.712 -7.315 7.028 1.00 0.00 C ATOM 819 CG PRO A 54 -18.443 -7.454 7.797 1.00 0.00 C ATOM 820 CD PRO A 54 -18.067 -8.908 7.714 1.00 0.00 C ATOM 0 HA PRO A 54 -20.554 -8.785 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -19.826 -6.306 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.580 -7.510 7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -17.660 -6.824 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.578 -7.144 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.985 -9.043 7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.452 -9.472 8.564 1.00 0.00 H new ATOM 828 N ALA A 55 -19.867 -6.826 4.032 1.00 0.00 N ATOM 829 CA ALA A 55 -19.469 -6.133 2.813 1.00 0.00 C ATOM 830 C ALA A 55 -18.344 -5.140 3.088 1.00 0.00 C ATOM 831 O ALA A 55 -17.450 -4.956 2.263 1.00 0.00 O ATOM 832 CB ALA A 55 -20.664 -5.421 2.196 1.00 0.00 C ATOM 0 H ALA A 55 -20.799 -6.586 4.369 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.098 -6.876 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.352 -4.908 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.437 -6.150 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.060 -4.694 2.905 1.00 0.00 H new ATOM 838 N GLY A 56 -18.396 -4.502 4.253 1.00 0.00 N ATOM 839 CA GLY A 56 -17.376 -3.536 4.616 1.00 0.00 C ATOM 840 C GLY A 56 -15.998 -4.159 4.721 1.00 0.00 C ATOM 841 O GLY A 56 -15.022 -3.621 4.197 1.00 0.00 O ATOM 0 H GLY A 56 -19.126 -4.637 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.355 -2.738 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.637 -3.077 5.570 1.00 0.00 H new ATOM 845 N THR A 57 -15.916 -5.297 5.403 1.00 0.00 N ATOM 846 CA THR A 57 -14.647 -5.993 5.579 1.00 0.00 C ATOM 847 C THR A 57 -13.944 -6.199 4.243 1.00 0.00 C ATOM 848 O THR A 57 -12.718 -6.121 4.157 1.00 0.00 O ATOM 849 CB THR A 57 -14.846 -7.361 6.258 1.00 0.00 C ATOM 850 OG1 THR A 57 -15.392 -7.183 7.570 1.00 0.00 O ATOM 851 CG2 THR A 57 -13.529 -8.117 6.349 1.00 0.00 C ATOM 0 H THR A 57 -16.713 -5.756 5.843 1.00 0.00 H new ATOM 0 HA THR A 57 -14.028 -5.365 6.219 1.00 0.00 H new ATOM 0 HB THR A 57 -15.540 -7.944 5.653 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.090 -7.912 8.152 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.695 -9.080 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.132 -8.277 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.816 -7.536 6.933 1.00 0.00 H new ATOM 859 N MET A 58 -14.726 -6.461 3.201 1.00 0.00 N ATOM 860 CA MET A 58 -14.177 -6.676 1.868 1.00 0.00 C ATOM 861 C MET A 58 -13.527 -5.403 1.335 1.00 0.00 C ATOM 862 O MET A 58 -12.311 -5.346 1.153 1.00 0.00 O ATOM 863 CB MET A 58 -15.275 -7.141 0.909 1.00 0.00 C ATOM 864 CG MET A 58 -14.743 -7.849 -0.327 1.00 0.00 C ATOM 865 SD MET A 58 -13.664 -9.236 0.077 1.00 0.00 S ATOM 866 CE MET A 58 -14.823 -10.344 0.877 1.00 0.00 C ATOM 0 H MET A 58 -15.742 -6.529 3.254 1.00 0.00 H new ATOM 0 HA MET A 58 -13.414 -7.451 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 58 -15.949 -7.813 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.864 -6.278 0.598 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.581 -8.208 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.196 -7.135 -0.942 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.577 -10.425 1.936 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.835 -9.953 0.768 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.763 -11.329 0.414 1.00 0.00 H new ATOM 876 N GLU A 59 -14.345 -4.385 1.088 1.00 0.00 N ATOM 877 CA GLU A 59 -13.848 -3.113 0.576 1.00 0.00 C ATOM 878 C GLU A 59 -12.510 -2.755 1.215 1.00 0.00 C ATOM 879 O GLU A 59 -11.591 -2.294 0.538 1.00 0.00 O ATOM 880 CB GLU A 59 -14.865 -2.000 0.837 1.00 0.00 C ATOM 881 CG GLU A 59 -14.453 -0.653 0.268 1.00 0.00 C ATOM 882 CD GLU A 59 -14.844 -0.490 -1.188 1.00 0.00 C ATOM 883 OE1 GLU A 59 -16.059 -0.473 -1.476 1.00 0.00 O ATOM 884 OE2 GLU A 59 -13.936 -0.380 -2.038 1.00 0.00 O ATOM 0 H GLU A 59 -15.354 -4.416 1.234 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.701 -3.216 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.824 -2.288 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.014 -1.900 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.914 0.141 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.374 -0.536 0.366 1.00 0.00 H new ATOM 891 N GLU A 60 -12.408 -2.970 2.523 1.00 0.00 N ATOM 892 CA GLU A 60 -11.183 -2.668 3.253 1.00 0.00 C ATOM 893 C GLU A 60 -10.099 -3.697 2.945 1.00 0.00 C ATOM 894 O GLU A 60 -8.927 -3.352 2.791 1.00 0.00 O ATOM 895 CB GLU A 60 -11.456 -2.633 4.758 1.00 0.00 C ATOM 896 CG GLU A 60 -12.270 -1.430 5.201 1.00 0.00 C ATOM 897 CD GLU A 60 -11.481 -0.136 5.140 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.543 0.025 5.949 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.800 0.714 4.283 1.00 0.00 O ATOM 0 H GLU A 60 -13.159 -3.352 3.098 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.831 -1.688 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.983 -3.543 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.505 -2.634 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.154 -1.342 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.621 -1.589 6.221 1.00 0.00 H new ATOM 906 N CYS A 61 -10.499 -4.961 2.858 1.00 0.00 N ATOM 907 CA CYS A 61 -9.562 -6.041 2.570 1.00 0.00 C ATOM 908 C CYS A 61 -8.727 -5.722 1.335 1.00 0.00 C ATOM 909 O CYS A 61 -7.598 -6.192 1.198 1.00 0.00 O ATOM 910 CB CYS A 61 -10.315 -7.357 2.366 1.00 0.00 C ATOM 911 SG CYS A 61 -10.650 -8.260 3.896 1.00 0.00 S ATOM 0 H CYS A 61 -11.465 -5.263 2.983 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.891 -6.143 3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.260 -7.148 1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.735 -7.995 1.699 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.330 -7.504 4.706 1.00 0.00 H new ATOM 917 N MET A 62 -9.291 -4.921 0.436 1.00 0.00 N ATOM 918 CA MET A 62 -8.598 -4.540 -0.789 1.00 0.00 C ATOM 919 C MET A 62 -7.462 -3.567 -0.491 1.00 0.00 C ATOM 920 O MET A 62 -6.295 -3.867 -0.738 1.00 0.00 O ATOM 921 CB MET A 62 -9.579 -3.910 -1.779 1.00 0.00 C ATOM 922 CG MET A 62 -9.139 -4.029 -3.229 1.00 0.00 C ATOM 923 SD MET A 62 -9.307 -5.707 -3.870 1.00 0.00 S ATOM 924 CE MET A 62 -7.890 -5.796 -4.961 1.00 0.00 C ATOM 0 H MET A 62 -10.225 -4.524 0.533 1.00 0.00 H new ATOM 0 HA MET A 62 -8.173 -5.441 -1.232 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.554 -4.384 -1.664 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.706 -2.856 -1.532 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.731 -3.349 -3.841 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.099 -3.713 -3.316 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.856 -6.777 -5.434 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.973 -5.026 -5.728 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.978 -5.639 -4.386 1.00 0.00 H new ATOM 934 N GLN A 63 -7.813 -2.400 0.042 1.00 0.00 N ATOM 935 CA GLN A 63 -6.822 -1.383 0.372 1.00 0.00 C ATOM 936 C GLN A 63 -5.658 -1.989 1.148 1.00 0.00 C ATOM 937 O GLN A 63 -4.503 -1.610 0.954 1.00 0.00 O ATOM 938 CB GLN A 63 -7.465 -0.260 1.188 1.00 0.00 C ATOM 939 CG GLN A 63 -8.289 0.705 0.351 1.00 0.00 C ATOM 940 CD GLN A 63 -8.407 2.076 0.987 1.00 0.00 C ATOM 941 OE1 GLN A 63 -9.075 2.244 2.007 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.755 3.065 0.387 1.00 0.00 N ATOM 0 H GLN A 63 -8.775 -2.136 0.254 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.437 -0.970 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.103 -0.699 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.683 0.296 1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.835 0.804 -0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.286 0.291 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.213 2.880 -0.457 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.796 4.009 0.770 1.00 0.00 H new ATOM 951 N LYS A 64 -5.969 -2.934 2.030 1.00 0.00 N ATOM 952 CA LYS A 64 -4.949 -3.595 2.836 1.00 0.00 C ATOM 953 C LYS A 64 -4.163 -4.600 2.001 1.00 0.00 C ATOM 954 O LYS A 64 -2.940 -4.508 1.889 1.00 0.00 O ATOM 955 CB LYS A 64 -5.593 -4.301 4.031 1.00 0.00 C ATOM 956 CG LYS A 64 -5.909 -3.370 5.189 1.00 0.00 C ATOM 957 CD LYS A 64 -4.735 -3.253 6.146 1.00 0.00 C ATOM 958 CE LYS A 64 -4.974 -2.176 7.193 1.00 0.00 C ATOM 959 NZ LYS A 64 -5.855 -2.658 8.293 1.00 0.00 N ATOM 0 H LYS A 64 -6.920 -3.259 2.205 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.259 -2.834 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.513 -4.785 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.925 -5.088 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.166 -2.383 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.782 -3.740 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.570 -4.211 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.829 -3.022 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.019 -1.854 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.427 -1.304 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.994 -1.895 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.776 -2.942 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.411 -3.474 8.761 1.00 0.00 H new ATOM 973 N PHE A 65 -4.872 -5.560 1.416 1.00 0.00 N ATOM 974 CA PHE A 65 -4.240 -6.583 0.591 1.00 0.00 C ATOM 975 C PHE A 65 -3.222 -5.962 -0.360 1.00 0.00 C ATOM 976 O PHE A 65 -2.135 -6.504 -0.564 1.00 0.00 O ATOM 977 CB PHE A 65 -5.297 -7.351 -0.205 1.00 0.00 C ATOM 978 CG PHE A 65 -4.716 -8.353 -1.161 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.915 -9.386 -0.700 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.970 -8.263 -2.520 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.379 -10.311 -1.577 1.00 0.00 C ATOM 982 CE2 PHE A 65 -4.437 -9.185 -3.401 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.640 -10.209 -2.930 1.00 0.00 C ATOM 0 H PHE A 65 -5.885 -5.651 1.498 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.718 -7.276 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.961 -7.866 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.908 -6.641 -0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.707 -9.469 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.591 -7.463 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.757 -11.112 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.644 -9.104 -4.458 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.221 -10.929 -3.618 1.00 0.00 H new ATOM 993 N ILE A 66 -3.582 -4.822 -0.940 1.00 0.00 N ATOM 994 CA ILE A 66 -2.700 -4.126 -1.870 1.00 0.00 C ATOM 995 C ILE A 66 -1.451 -3.612 -1.162 1.00 0.00 C ATOM 996 O ILE A 66 -0.338 -3.754 -1.666 1.00 0.00 O ATOM 997 CB ILE A 66 -3.417 -2.943 -2.547 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.646 -3.434 -3.314 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.463 -2.208 -3.477 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.612 -2.329 -3.678 1.00 0.00 C ATOM 0 H ILE A 66 -4.478 -4.361 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.411 -4.849 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.748 -2.248 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.319 -3.935 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.167 -4.177 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.984 -1.375 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.616 -1.829 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.104 -2.893 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.459 -2.750 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.968 -1.843 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.107 -1.597 -4.307 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.645 -3.015 0.010 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.533 -2.481 0.787 1.00 0.00 C ATOM 1014 C GLU A 67 0.398 -3.600 1.246 1.00 0.00 C ATOM 1015 O GLU A 67 1.619 -3.442 1.253 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.055 -1.707 2.000 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.432 -0.269 1.688 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.034 0.448 2.881 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -1.450 0.364 3.982 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.090 1.094 2.713 1.00 0.00 O ATOM 0 H GLU A 67 -2.561 -2.889 0.441 1.00 0.00 H new ATOM 0 HA GLU A 67 0.031 -1.803 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.927 -2.223 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.293 -1.713 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.546 0.271 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.144 -0.255 0.863 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.189 -4.729 1.629 1.00 0.00 N ATOM 1028 CA ILE A 68 0.587 -5.874 2.089 1.00 0.00 C ATOM 1029 C ILE A 68 1.509 -6.391 0.989 1.00 0.00 C ATOM 1030 O ILE A 68 2.702 -6.595 1.210 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.327 -7.021 2.559 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.260 -6.536 3.670 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.507 -8.201 3.037 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.427 -7.464 3.926 1.00 0.00 C ATOM 0 H ILE A 68 -1.198 -4.875 1.630 1.00 0.00 H new ATOM 0 HA ILE A 68 1.188 -5.531 2.931 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.936 -7.349 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.688 -6.423 4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.641 -5.549 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.153 -9.004 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.134 -8.558 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.139 -7.887 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.046 -7.058 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.023 -7.558 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.054 -8.445 4.219 1.00 0.00 H new ATOM 1046 N ASP A 69 0.946 -6.600 -0.196 1.00 0.00 N ATOM 1047 CA ASP A 69 1.718 -7.090 -1.333 1.00 0.00 C ATOM 1048 C ASP A 69 2.908 -6.179 -1.615 1.00 0.00 C ATOM 1049 O ASP A 69 3.855 -6.574 -2.295 1.00 0.00 O ATOM 1050 CB ASP A 69 0.830 -7.190 -2.574 1.00 0.00 C ATOM 1051 CG ASP A 69 1.559 -7.788 -3.761 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.599 -8.446 -3.548 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.091 -7.597 -4.903 1.00 0.00 O ATOM 0 H ASP A 69 -0.041 -6.438 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 69 2.095 -8.082 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.044 -7.799 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.466 -6.197 -2.838 1.00 0.00 H new ATOM 1058 N GLN A 70 2.851 -4.960 -1.090 1.00 0.00 N ATOM 1059 CA GLN A 70 3.924 -3.992 -1.288 1.00 0.00 C ATOM 1060 C GLN A 70 4.923 -4.044 -0.136 1.00 0.00 C ATOM 1061 O GLN A 70 6.131 -4.136 -0.353 1.00 0.00 O ATOM 1062 CB GLN A 70 3.350 -2.581 -1.418 1.00 0.00 C ATOM 1063 CG GLN A 70 2.793 -2.275 -2.799 1.00 0.00 C ATOM 1064 CD GLN A 70 2.129 -3.478 -3.440 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.745 -4.532 -3.595 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.865 -3.325 -3.816 1.00 0.00 N ATOM 0 H GLN A 70 2.074 -4.619 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 70 4.446 -4.250 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.559 -2.450 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.130 -1.857 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.070 -1.463 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.600 -1.924 -3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.393 -2.433 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.366 -4.100 -4.253 1.00 0.00 H new ATOM 1075 N ALA A 71 4.410 -3.984 1.088 1.00 0.00 N ATOM 1076 CA ALA A 71 5.256 -4.025 2.274 1.00 0.00 C ATOM 1077 C ALA A 71 6.316 -5.115 2.154 1.00 0.00 C ATOM 1078 O ALA A 71 7.378 -5.031 2.771 1.00 0.00 O ATOM 1079 CB ALA A 71 4.410 -4.245 3.519 1.00 0.00 C ATOM 0 H ALA A 71 3.412 -3.907 1.284 1.00 0.00 H new ATOM 0 HA ALA A 71 5.766 -3.065 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.055 -4.273 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.694 -3.430 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.874 -5.190 3.432 1.00 0.00 H new ATOM 1085 N TRP A 72 6.021 -6.136 1.358 1.00 0.00 N ATOM 1086 CA TRP A 72 6.949 -7.243 1.158 1.00 0.00 C ATOM 1087 C TRP A 72 7.865 -6.977 -0.032 1.00 0.00 C ATOM 1088 O TRP A 72 8.990 -7.474 -0.086 1.00 0.00 O ATOM 1089 CB TRP A 72 6.181 -8.548 0.945 1.00 0.00 C ATOM 1090 CG TRP A 72 7.072 -9.737 0.749 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.041 -10.623 -0.290 1.00 0.00 C ATOM 1092 CD2 TRP A 72 8.126 -10.170 1.616 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.011 -11.581 -0.120 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.691 -11.325 1.041 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.648 -9.694 2.822 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.750 -12.009 1.632 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.699 -10.374 3.407 1.00 0.00 C ATOM 1098 CH2 TRP A 72 10.242 -11.520 2.812 1.00 0.00 C ATOM 0 H TRP A 72 5.146 -6.220 0.840 1.00 0.00 H new ATOM 0 HA TRP A 72 7.564 -7.335 2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.535 -8.725 1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.533 -8.442 0.075 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.355 -10.577 -1.123 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.195 -12.357 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.237 -8.811 3.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.168 -12.894 1.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.109 -10.016 4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 72 11.065 -12.028 3.294 1.00 0.00 H new ATOM 1109 N LYS A 73 7.377 -6.190 -0.984 1.00 0.00 N ATOM 1110 CA LYS A 73 8.152 -5.856 -2.174 1.00 0.00 C ATOM 1111 C LYS A 73 9.453 -5.156 -1.796 1.00 0.00 C ATOM 1112 O LYS A 73 10.522 -5.495 -2.305 1.00 0.00 O ATOM 1113 CB LYS A 73 7.332 -4.964 -3.108 1.00 0.00 C ATOM 1114 CG LYS A 73 6.438 -5.739 -4.060 1.00 0.00 C ATOM 1115 CD LYS A 73 5.757 -4.819 -5.059 1.00 0.00 C ATOM 1116 CE LYS A 73 6.714 -4.382 -6.158 1.00 0.00 C ATOM 1117 NZ LYS A 73 6.723 -5.340 -7.298 1.00 0.00 N ATOM 0 H LYS A 73 6.448 -5.771 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 73 8.396 -6.784 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.716 -4.294 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.011 -4.339 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.031 -6.482 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.683 -6.282 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.902 -5.330 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.370 -3.941 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.428 -3.393 -6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.721 -4.294 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.387 -5.007 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.020 -6.278 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.768 -5.405 -7.704 1.00 0.00 H new ATOM 1131 N ILE A 74 9.356 -4.179 -0.901 1.00 0.00 N ATOM 1132 CA ILE A 74 10.526 -3.433 -0.455 1.00 0.00 C ATOM 1133 C ILE A 74 11.294 -4.204 0.613 1.00 0.00 C ATOM 1134 O ILE A 74 12.516 -4.343 0.536 1.00 0.00 O ATOM 1135 CB ILE A 74 10.134 -2.053 0.106 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.758 -1.103 -1.033 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.272 -1.475 0.933 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.305 -1.195 -1.442 1.00 0.00 C ATOM 0 H ILE A 74 8.479 -3.886 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 74 11.163 -3.293 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 74 9.266 -2.173 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.977 -0.080 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.385 -1.320 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.980 -0.500 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.495 -2.145 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.157 -1.365 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.110 -0.494 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.085 -2.209 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.671 -0.949 -0.590 1.00 0.00 H new ATOM 1150 N LEU A 75 10.571 -4.705 1.608 1.00 0.00 N ATOM 1151 CA LEU A 75 11.184 -5.465 2.692 1.00 0.00 C ATOM 1152 C LEU A 75 11.954 -6.665 2.149 1.00 0.00 C ATOM 1153 O LEU A 75 13.169 -6.764 2.319 1.00 0.00 O ATOM 1154 CB LEU A 75 10.115 -5.936 3.680 1.00 0.00 C ATOM 1155 CG LEU A 75 9.600 -4.885 4.663 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.870 -5.548 5.821 1.00 0.00 C ATOM 1157 CD2 LEU A 75 10.748 -4.027 5.176 1.00 0.00 C ATOM 0 H LEU A 75 9.560 -4.599 1.687 1.00 0.00 H new ATOM 0 HA LEU A 75 11.885 -4.810 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.267 -6.319 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.520 -6.771 4.251 1.00 0.00 H new ATOM 0 HG LEU A 75 8.896 -4.240 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.511 -4.784 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.024 -6.119 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.552 -6.218 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.363 -3.284 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.476 -4.659 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.228 -3.522 4.338 1.00 0.00 H new ATOM 1169 N GLY A 76 11.239 -7.573 1.492 1.00 0.00 N ATOM 1170 CA GLY A 76 11.872 -8.752 0.932 1.00 0.00 C ATOM 1171 C GLY A 76 13.168 -8.430 0.215 1.00 0.00 C ATOM 1172 O GLY A 76 14.146 -9.168 0.325 1.00 0.00 O ATOM 0 H GLY A 76 10.233 -7.513 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.070 -9.468 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.185 -9.233 0.236 1.00 0.00 H new ATOM 1176 N ASN A 77 13.175 -7.324 -0.522 1.00 0.00 N ATOM 1177 CA ASN A 77 14.361 -6.906 -1.262 1.00 0.00 C ATOM 1178 C ASN A 77 15.411 -6.322 -0.322 1.00 0.00 C ATOM 1179 O ASN A 77 15.149 -5.353 0.390 1.00 0.00 O ATOM 1180 CB ASN A 77 13.985 -5.876 -2.329 1.00 0.00 C ATOM 1181 CG ASN A 77 15.098 -5.653 -3.335 1.00 0.00 C ATOM 1182 OD1 ASN A 77 16.195 -6.192 -3.192 1.00 0.00 O ATOM 1183 ND2 ASN A 77 14.818 -4.856 -4.359 1.00 0.00 N ATOM 0 H ASN A 77 12.374 -6.701 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 77 14.784 -7.785 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.088 -6.209 -2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.740 -4.930 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.527 -4.669 -5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.894 -4.431 -4.437 1.00 0.00 H new ATOM 1190 N GLU A 78 16.599 -6.918 -0.327 1.00 0.00 N ATOM 1191 CA GLU A 78 17.688 -6.456 0.526 1.00 0.00 C ATOM 1192 C GLU A 78 18.241 -5.123 0.028 1.00 0.00 C ATOM 1193 O GLU A 78 18.828 -4.359 0.793 1.00 0.00 O ATOM 1194 CB GLU A 78 18.806 -7.499 0.573 1.00 0.00 C ATOM 1195 CG GLU A 78 19.980 -7.094 1.448 1.00 0.00 C ATOM 1196 CD GLU A 78 19.554 -6.696 2.848 1.00 0.00 C ATOM 1197 OE1 GLU A 78 18.894 -7.514 3.523 1.00 0.00 O ATOM 1198 OE2 GLU A 78 19.881 -5.566 3.269 1.00 0.00 O ATOM 0 H GLU A 78 16.832 -7.721 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 78 17.292 -6.313 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.398 -8.441 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.165 -7.681 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.686 -7.922 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.506 -6.261 0.982 1.00 0.00 H new ATOM 1205 N GLU A 79 18.048 -4.853 -1.259 1.00 0.00 N ATOM 1206 CA GLU A 79 18.528 -3.613 -1.859 1.00 0.00 C ATOM 1207 C GLU A 79 17.729 -2.417 -1.350 1.00 0.00 C ATOM 1208 O GLU A 79 18.286 -1.486 -0.767 1.00 0.00 O ATOM 1209 CB GLU A 79 18.437 -3.690 -3.384 1.00 0.00 C ATOM 1210 CG GLU A 79 18.936 -5.005 -3.958 1.00 0.00 C ATOM 1211 CD GLU A 79 20.398 -5.261 -3.647 1.00 0.00 C ATOM 1212 OE1 GLU A 79 21.234 -4.387 -3.960 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.706 -6.334 -3.088 1.00 0.00 O ATOM 0 H GLU A 79 17.563 -5.475 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 79 19.571 -3.480 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.400 -3.542 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.014 -2.872 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.335 -5.822 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.793 -5.003 -5.039 1.00 0.00 H new ATOM 1220 N THR A 80 16.419 -2.449 -1.575 1.00 0.00 N ATOM 1221 CA THR A 80 15.543 -1.368 -1.142 1.00 0.00 C ATOM 1222 C THR A 80 15.362 -1.380 0.372 1.00 0.00 C ATOM 1223 O THR A 80 15.456 -0.342 1.027 1.00 0.00 O ATOM 1224 CB THR A 80 14.160 -1.463 -1.814 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.540 -2.711 -1.485 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.282 -1.334 -3.325 1.00 0.00 C ATOM 0 H THR A 80 15.942 -3.212 -2.055 1.00 0.00 H new ATOM 0 HA THR A 80 16.021 -0.435 -1.441 1.00 0.00 H new ATOM 0 HB THR A 80 13.544 -0.643 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.042 -3.043 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.293 -1.404 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.727 -0.370 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.914 -2.135 -3.709 1.00 0.00 H new ATOM 1234 N LYS A 81 15.102 -2.561 0.922 1.00 0.00 N ATOM 1235 CA LYS A 81 14.909 -2.709 2.360 1.00 0.00 C ATOM 1236 C LYS A 81 16.007 -1.985 3.133 1.00 0.00 C ATOM 1237 O LYS A 81 15.792 -1.531 4.258 1.00 0.00 O ATOM 1238 CB LYS A 81 14.893 -4.191 2.743 1.00 0.00 C ATOM 1239 CG LYS A 81 14.800 -4.431 4.240 1.00 0.00 C ATOM 1240 CD LYS A 81 15.490 -5.724 4.641 1.00 0.00 C ATOM 1241 CE LYS A 81 14.953 -6.256 5.961 1.00 0.00 C ATOM 1242 NZ LYS A 81 13.516 -6.632 5.865 1.00 0.00 N ATOM 0 H LYS A 81 15.020 -3.430 0.394 1.00 0.00 H new ATOM 0 HA LYS A 81 13.950 -2.262 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.049 -4.675 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.798 -4.666 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.254 -3.595 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.753 -4.469 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.346 -6.471 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.563 -5.554 4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.536 -7.125 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.079 -5.500 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.984 -6.169 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.138 -6.326 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.421 -7.664 5.952 1.00 0.00 H new ATOM 1256 N LYS A 82 17.183 -1.879 2.524 1.00 0.00 N ATOM 1257 CA LYS A 82 18.313 -1.208 3.153 1.00 0.00 C ATOM 1258 C LYS A 82 18.087 0.299 3.213 1.00 0.00 C ATOM 1259 O LYS A 82 18.259 0.922 4.261 1.00 0.00 O ATOM 1260 CB LYS A 82 19.603 -1.510 2.387 1.00 0.00 C ATOM 1261 CG LYS A 82 20.853 -0.973 3.064 1.00 0.00 C ATOM 1262 CD LYS A 82 21.979 -0.762 2.067 1.00 0.00 C ATOM 1263 CE LYS A 82 21.755 0.488 1.229 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.143 1.725 1.962 1.00 0.00 N ATOM 0 H LYS A 82 17.378 -2.250 1.594 1.00 0.00 H new ATOM 0 HA LYS A 82 18.405 -1.585 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.700 -2.589 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.530 -1.083 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.623 -0.030 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.177 -1.669 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.927 -0.680 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.055 -1.631 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.333 0.416 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.705 0.550 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.345 2.392 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.395 1.483 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.960 2.165 1.493 1.00 0.00 H new ATOM 1278 N LYS A 83 17.698 0.880 2.083 1.00 0.00 N ATOM 1279 CA LYS A 83 17.445 2.314 2.007 1.00 0.00 C ATOM 1280 C LYS A 83 16.227 2.696 2.842 1.00 0.00 C ATOM 1281 O LYS A 83 16.196 3.761 3.459 1.00 0.00 O ATOM 1282 CB LYS A 83 17.233 2.738 0.552 1.00 0.00 C ATOM 1283 CG LYS A 83 18.316 2.243 -0.391 1.00 0.00 C ATOM 1284 CD LYS A 83 17.909 2.409 -1.845 1.00 0.00 C ATOM 1285 CE LYS A 83 19.040 2.028 -2.788 1.00 0.00 C ATOM 1286 NZ LYS A 83 20.128 3.044 -2.788 1.00 0.00 N ATOM 0 H LYS A 83 17.551 0.379 1.207 1.00 0.00 H new ATOM 0 HA LYS A 83 18.315 2.834 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.268 2.364 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.189 3.826 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.239 2.792 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.524 1.192 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.037 1.789 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.616 3.443 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.447 1.060 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.648 1.916 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.813 2.820 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.723 3.986 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 20.610 3.037 -1.866 1.00 0.00 H new ATOM 1300 N TYR A 84 15.228 1.821 2.857 1.00 0.00 N ATOM 1301 CA TYR A 84 14.008 2.068 3.616 1.00 0.00 C ATOM 1302 C TYR A 84 14.311 2.211 5.104 1.00 0.00 C ATOM 1303 O TYR A 84 14.110 3.275 5.691 1.00 0.00 O ATOM 1304 CB TYR A 84 13.006 0.934 3.395 1.00 0.00 C ATOM 1305 CG TYR A 84 11.718 1.104 4.167 1.00 0.00 C ATOM 1306 CD1 TYR A 84 10.739 1.992 3.737 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.479 0.379 5.328 1.00 0.00 C ATOM 1308 CE1 TYR A 84 9.560 2.151 4.440 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.303 0.531 6.037 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.347 1.419 5.589 1.00 0.00 C ATOM 1311 OH TYR A 84 8.175 1.574 6.292 1.00 0.00 O ATOM 0 H TYR A 84 15.239 0.935 2.352 1.00 0.00 H new ATOM 0 HA TYR A 84 13.573 3.002 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.776 0.866 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.470 -0.010 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 84 10.903 2.568 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.226 -0.316 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 84 8.809 2.845 4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.133 -0.042 6.937 1.00 0.00 H new ATOM 0 HH TYR A 84 7.616 2.248 5.852 1.00 0.00 H new ATOM 1321 N ASP A 85 14.796 1.132 5.708 1.00 0.00 N ATOM 1322 CA ASP A 85 15.130 1.135 7.128 1.00 0.00 C ATOM 1323 C ASP A 85 15.839 2.429 7.516 1.00 0.00 C ATOM 1324 O ASP A 85 15.423 3.123 8.445 1.00 0.00 O ATOM 1325 CB ASP A 85 16.012 -0.067 7.469 1.00 0.00 C ATOM 1326 CG ASP A 85 15.812 -0.546 8.894 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.494 -0.020 9.798 1.00 0.00 O ATOM 1328 OD2 ASP A 85 14.973 -1.446 9.104 1.00 0.00 O ATOM 0 H ASP A 85 14.967 0.244 5.237 1.00 0.00 H new ATOM 0 HA ASP A 85 14.202 1.066 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.792 -0.883 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.058 0.200 7.322 1.00 0.00 H new ATOM 1333 N LEU A 86 16.913 2.747 6.801 1.00 0.00 N ATOM 1334 CA LEU A 86 17.681 3.957 7.071 1.00 0.00 C ATOM 1335 C LEU A 86 16.790 5.193 7.010 1.00 0.00 C ATOM 1336 O LEU A 86 16.859 6.062 7.878 1.00 0.00 O ATOM 1337 CB LEU A 86 18.828 4.091 6.068 1.00 0.00 C ATOM 1338 CG LEU A 86 19.833 2.939 6.040 1.00 0.00 C ATOM 1339 CD1 LEU A 86 20.536 2.877 4.692 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.846 3.087 7.166 1.00 0.00 C ATOM 0 H LEU A 86 17.271 2.183 6.030 1.00 0.00 H new ATOM 0 HA LEU A 86 18.093 3.879 8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.401 4.199 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.368 5.013 6.285 1.00 0.00 H new ATOM 0 HG LEU A 86 19.291 2.005 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.248 2.051 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.799 2.722 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.066 3.813 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.553 2.258 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 86 21.384 4.028 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.328 3.081 8.125 1.00 0.00 H new ATOM 1352 N GLN A 87 15.953 5.262 5.980 1.00 0.00 N ATOM 1353 CA GLN A 87 15.047 6.392 5.808 1.00 0.00 C ATOM 1354 C GLN A 87 14.196 6.603 7.055 1.00 0.00 C ATOM 1355 O GLN A 87 14.069 7.723 7.550 1.00 0.00 O ATOM 1356 CB GLN A 87 14.145 6.168 4.592 1.00 0.00 C ATOM 1357 CG GLN A 87 14.726 6.709 3.296 1.00 0.00 C ATOM 1358 CD GLN A 87 14.937 8.209 3.332 1.00 0.00 C ATOM 1359 OE1 GLN A 87 14.016 8.952 2.729 1.00 0.00 O flip ATOM 1360 NE2 GLN A 87 15.917 8.697 3.896 1.00 0.00 N flip ATOM 0 H GLN A 87 15.883 4.550 5.253 1.00 0.00 H new ATOM 0 HA GLN A 87 15.649 7.286 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.960 5.100 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.180 6.642 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 87 15.678 6.217 3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.058 6.460 2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.601 8.089 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 87 16.045 9.709 3.912 1.00 0.00 H new ATOM 1369 N ARG A 88 13.614 5.519 7.559 1.00 0.00 N ATOM 1370 CA ARG A 88 12.774 5.586 8.748 1.00 0.00 C ATOM 1371 C ARG A 88 13.305 6.624 9.732 1.00 0.00 C ATOM 1372 O ARG A 88 12.584 7.536 10.137 1.00 0.00 O ATOM 1373 CB ARG A 88 12.701 4.216 9.426 1.00 0.00 C ATOM 1374 CG ARG A 88 12.053 3.144 8.565 1.00 0.00 C ATOM 1375 CD ARG A 88 11.485 2.017 9.412 1.00 0.00 C ATOM 1376 NE ARG A 88 10.491 2.498 10.368 1.00 0.00 N ATOM 1377 CZ ARG A 88 9.295 2.956 10.016 1.00 0.00 C ATOM 1378 NH1 ARG A 88 8.946 2.994 8.738 1.00 0.00 N ATOM 1379 NH2 ARG A 88 8.445 3.376 10.944 1.00 0.00 N ATOM 0 H ARG A 88 13.709 4.584 7.162 1.00 0.00 H new ATOM 0 HA ARG A 88 11.773 5.884 8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 88 13.709 3.897 9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.141 4.310 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.257 3.588 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.788 2.742 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.031 1.269 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.295 1.523 9.949 1.00 0.00 H new ATOM 0 HE ARG A 88 10.728 2.481 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.597 2.671 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.027 3.346 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.710 3.347 11.929 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.527 3.728 10.673 1.00 0.00 H new ATOM 1393 N SER A 89 14.570 6.478 10.113 1.00 0.00 N ATOM 1394 CA SER A 89 15.197 7.401 11.052 1.00 0.00 C ATOM 1395 C SER A 89 15.504 8.735 10.380 1.00 0.00 C ATOM 1396 O SER A 89 16.483 8.863 9.647 1.00 0.00 O ATOM 1397 CB SER A 89 16.483 6.792 11.615 1.00 0.00 C ATOM 1398 OG SER A 89 17.469 6.658 10.605 1.00 0.00 O ATOM 0 H SER A 89 15.181 5.729 9.786 1.00 0.00 H new ATOM 0 HA SER A 89 14.499 7.579 11.870 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.865 7.421 12.419 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.267 5.816 12.049 1.00 0.00 H new ATOM 0 HG SER A 89 17.396 7.406 9.976 1.00 0.00 H new ATOM 1404 N GLY A 90 14.658 9.728 10.637 1.00 0.00 N ATOM 1405 CA GLY A 90 14.854 11.041 10.050 1.00 0.00 C ATOM 1406 C GLY A 90 16.321 11.396 9.901 1.00 0.00 C ATOM 1407 O GLY A 90 17.156 11.036 10.731 1.00 0.00 O ATOM 0 H GLY A 90 13.840 9.647 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.374 11.074 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.363 11.790 10.671 1.00 0.00 H new ATOM 1411 N PRO A 91 16.652 12.118 8.820 1.00 0.00 N ATOM 1412 CA PRO A 91 18.029 12.536 8.540 1.00 0.00 C ATOM 1413 C PRO A 91 18.524 13.594 9.519 1.00 0.00 C ATOM 1414 O PRO A 91 17.763 14.462 9.947 1.00 0.00 O ATOM 1415 CB PRO A 91 17.943 13.115 7.126 1.00 0.00 C ATOM 1416 CG PRO A 91 16.525 13.551 6.981 1.00 0.00 C ATOM 1417 CD PRO A 91 15.709 12.581 7.789 1.00 0.00 C ATOM 0 HA PRO A 91 18.733 11.709 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 91 18.630 13.952 6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 91 18.207 12.369 6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.391 14.570 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 91 16.219 13.542 5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.835 13.061 8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.345 11.755 7.178 1.00 0.00 H new ATOM 1425 N SER A 92 19.804 13.517 9.870 1.00 0.00 N ATOM 1426 CA SER A 92 20.400 14.467 10.803 1.00 0.00 C ATOM 1427 C SER A 92 21.836 14.792 10.403 1.00 0.00 C ATOM 1428 O SER A 92 22.717 13.934 10.459 1.00 0.00 O ATOM 1429 CB SER A 92 20.369 13.905 12.225 1.00 0.00 C ATOM 1430 OG SER A 92 19.051 13.908 12.746 1.00 0.00 O ATOM 0 H SER A 92 20.448 12.807 9.522 1.00 0.00 H new ATOM 0 HA SER A 92 19.815 15.386 10.771 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.762 12.888 12.226 1.00 0.00 H new ATOM 0 HB3 SER A 92 21.019 14.498 12.868 1.00 0.00 H new ATOM 0 HG SER A 92 19.058 13.542 13.655 1.00 0.00 H new ATOM 1436 N SER A 93 22.064 16.038 10.000 1.00 0.00 N ATOM 1437 CA SER A 93 23.392 16.476 9.587 1.00 0.00 C ATOM 1438 C SER A 93 24.027 17.364 10.654 1.00 0.00 C ATOM 1439 O SER A 93 23.786 18.570 10.697 1.00 0.00 O ATOM 1440 CB SER A 93 23.313 17.232 8.260 1.00 0.00 C ATOM 1441 OG SER A 93 24.588 17.710 7.867 1.00 0.00 O ATOM 0 H SER A 93 21.347 16.762 9.951 1.00 0.00 H new ATOM 0 HA SER A 93 24.015 15.591 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 93 22.914 16.575 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 93 22.621 18.069 8.356 1.00 0.00 H new ATOM 0 HG SER A 93 24.510 18.188 7.015 1.00 0.00 H new ATOM 1447 N GLY A 94 24.839 16.757 11.513 1.00 0.00 N ATOM 1448 CA GLY A 94 25.497 17.506 12.568 1.00 0.00 C ATOM 1449 C GLY A 94 24.645 17.617 13.817 1.00 0.00 C ATOM 1450 O GLY A 94 24.294 16.608 14.429 1.00 0.00 O ATOM 0 H GLY A 94 25.053 15.760 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 94 26.442 17.023 12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 94 25.736 18.506 12.205 1.00 0.00 H new TER 1454 GLY A 94