USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 626 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 46 GLN :FLIP amide:sc= 0.0435 F(o=-2.4!,f=-0.12) USER MOD Set 1.2: A 47 GLN :FLIP amide:sc= -0.165 X(o=-0.5,f=-0.12) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.271 K(o=1,f=-4.4!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -128:sc= 0.735 (180deg=-0.00255) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.125 (180deg=-0.593) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.136 (180deg=-0.0288) USER MOD Single : A 5 SER OG : rot 17:sc= 0.931 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.271 K(o=0.27,f=-0.27) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.0508 (180deg=-0.317) USER MOD Single : A 26 ASN : amide:sc= -0.875 K(o=-0.87,f=-8.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0325 (180deg=-0.267) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 142:sc= 0.325 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.129 USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= 2.34 (180deg=1.08!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 1.04 (180deg=0.456) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 1.6 (180deg=1.56) USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.879) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0866 (180deg=-0.477) USER MOD Single : A 69 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.1) USER MOD Single : A 73 SER OG : rot 56:sc= 0.391 USER MOD Single : A 75 THR OG1 : rot -23:sc= 0.804 USER MOD Single : A 76 THR OG1 : rot -19:sc= 0.165 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.851 9.383 -8.860 1.00 0.00 N ATOM 2 CA MET A 1 9.180 10.695 -8.857 1.00 0.00 C ATOM 3 C MET A 1 8.353 10.872 -7.596 1.00 0.00 C ATOM 4 O MET A 1 8.209 9.942 -6.803 1.00 0.00 O ATOM 5 CB MET A 1 8.286 10.848 -10.095 1.00 0.00 C ATOM 6 CG MET A 1 9.048 11.027 -11.398 1.00 0.00 C ATOM 7 SD MET A 1 7.967 11.047 -12.846 1.00 0.00 S ATOM 8 CE MET A 1 6.881 12.416 -12.451 1.00 0.00 C ATOM 0 H1 MET A 1 10.882 9.520 -8.835 1.00 0.00 H new ATOM 0 H2 MET A 1 9.554 8.839 -8.025 1.00 0.00 H new ATOM 0 H3 MET A 1 9.592 8.862 -9.722 1.00 0.00 H new ATOM 0 HA MET A 1 9.949 11.467 -8.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.648 9.968 -10.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.629 11.706 -9.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.612 11.959 -11.359 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.773 10.220 -11.503 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.603 12.936 -13.368 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.983 12.039 -11.962 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.395 13.107 -11.783 1.00 0.00 H new ATOM 18 N ALA A 2 7.824 12.070 -7.410 1.00 0.00 N ATOM 19 CA ALA A 2 6.988 12.383 -6.269 1.00 0.00 C ATOM 20 C ALA A 2 6.023 13.498 -6.629 1.00 0.00 C ATOM 21 O ALA A 2 6.340 14.358 -7.460 1.00 0.00 O ATOM 22 CB ALA A 2 7.842 12.787 -5.073 1.00 0.00 C ATOM 0 H ALA A 2 7.964 12.853 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 2 6.419 11.494 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.196 13.018 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.508 11.966 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.434 13.666 -5.329 1.00 0.00 H new ATOM 28 N ALA A 3 4.853 13.479 -6.026 1.00 0.00 N ATOM 29 CA ALA A 3 3.848 14.489 -6.287 1.00 0.00 C ATOM 30 C ALA A 3 3.914 15.590 -5.234 1.00 0.00 C ATOM 31 O ALA A 3 4.380 15.354 -4.117 1.00 0.00 O ATOM 32 CB ALA A 3 2.462 13.853 -6.316 1.00 0.00 C ATOM 0 H ALA A 3 4.573 12.771 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 3 4.044 14.938 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.714 14.621 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.424 13.099 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.257 13.384 -5.354 1.00 0.00 H new ATOM 38 N PRO A 4 3.465 16.816 -5.580 1.00 0.00 N ATOM 39 CA PRO A 4 3.461 17.949 -4.648 1.00 0.00 C ATOM 40 C PRO A 4 2.520 17.719 -3.461 1.00 0.00 C ATOM 41 O PRO A 4 1.779 16.727 -3.424 1.00 0.00 O ATOM 42 CB PRO A 4 2.963 19.124 -5.504 1.00 0.00 C ATOM 43 CG PRO A 4 2.233 18.486 -6.635 1.00 0.00 C ATOM 44 CD PRO A 4 2.946 17.195 -6.907 1.00 0.00 C ATOM 0 HA PRO A 4 4.445 18.115 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.309 19.782 -4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.793 19.733 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.189 18.309 -6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.238 19.128 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.272 16.438 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.749 17.323 -7.633 1.00 0.00 H new ATOM 52 N SER A 5 2.542 18.656 -2.513 1.00 0.00 N ATOM 53 CA SER A 5 1.742 18.592 -1.284 1.00 0.00 C ATOM 54 C SER A 5 1.964 17.281 -0.531 1.00 0.00 C ATOM 55 O SER A 5 1.165 16.347 -0.617 1.00 0.00 O ATOM 56 CB SER A 5 0.235 18.853 -1.553 1.00 0.00 C ATOM 57 OG SER A 5 -0.296 17.968 -2.530 1.00 0.00 O ATOM 0 H SER A 5 3.122 19.492 -2.575 1.00 0.00 H new ATOM 0 HA SER A 5 2.091 19.398 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.323 18.742 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.100 19.882 -1.885 1.00 0.00 H new ATOM 0 HG SER A 5 0.306 17.203 -2.640 1.00 0.00 H new ATOM 63 N MET A 6 3.074 17.212 0.186 1.00 0.00 N ATOM 64 CA MET A 6 3.412 16.027 0.950 1.00 0.00 C ATOM 65 C MET A 6 2.785 16.095 2.332 1.00 0.00 C ATOM 66 O MET A 6 2.276 17.145 2.739 1.00 0.00 O ATOM 67 CB MET A 6 4.935 15.857 1.057 1.00 0.00 C ATOM 68 CG MET A 6 5.639 16.962 1.824 1.00 0.00 C ATOM 69 SD MET A 6 7.414 16.679 1.961 1.00 0.00 S ATOM 70 CE MET A 6 7.901 18.085 2.952 1.00 0.00 C ATOM 0 H MET A 6 3.757 17.967 0.253 1.00 0.00 H new ATOM 0 HA MET A 6 3.012 15.158 0.427 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.148 14.904 1.540 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.354 15.806 0.052 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.463 17.915 1.326 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.208 17.039 2.822 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.977 18.053 3.125 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.645 19.006 2.428 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.379 18.054 3.908 1.00 0.00 H new ATOM 80 N LYS A 7 2.819 14.991 3.055 1.00 0.00 N ATOM 81 CA LYS A 7 2.227 14.945 4.379 1.00 0.00 C ATOM 82 C LYS A 7 2.985 13.978 5.277 1.00 0.00 C ATOM 83 O LYS A 7 3.713 14.388 6.181 1.00 0.00 O ATOM 84 CB LYS A 7 0.758 14.515 4.288 1.00 0.00 C ATOM 85 CG LYS A 7 -0.040 14.742 5.563 1.00 0.00 C ATOM 86 CD LYS A 7 -0.356 16.215 5.760 1.00 0.00 C ATOM 87 CE LYS A 7 -1.233 16.439 6.978 1.00 0.00 C ATOM 88 NZ LYS A 7 -1.732 17.835 7.052 1.00 0.00 N ATOM 0 H LYS A 7 3.248 14.118 2.750 1.00 0.00 H new ATOM 0 HA LYS A 7 2.286 15.944 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.282 15.060 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.716 13.457 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.968 14.171 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.524 14.371 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.572 16.775 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.858 16.602 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.079 15.752 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.667 16.208 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.327 17.947 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.926 18.489 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.294 18.048 6.203 1.00 0.00 H new ATOM 102 N GLU A 8 2.823 12.697 5.009 1.00 0.00 N ATOM 103 CA GLU A 8 3.447 11.666 5.806 1.00 0.00 C ATOM 104 C GLU A 8 4.803 11.311 5.206 1.00 0.00 C ATOM 105 O GLU A 8 4.925 11.147 3.994 1.00 0.00 O ATOM 106 CB GLU A 8 2.532 10.435 5.865 1.00 0.00 C ATOM 107 CG GLU A 8 2.609 9.644 7.165 1.00 0.00 C ATOM 108 CD GLU A 8 3.972 9.055 7.413 1.00 0.00 C ATOM 109 OE1 GLU A 8 4.259 7.992 6.861 1.00 0.00 O ATOM 110 OE2 GLU A 8 4.771 9.670 8.155 1.00 0.00 O ATOM 0 H GLU A 8 2.258 12.346 4.236 1.00 0.00 H new ATOM 0 HA GLU A 8 3.603 12.026 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.502 10.758 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.784 9.772 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.344 10.296 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.871 8.842 7.141 1.00 0.00 H new ATOM 117 N ARG A 9 5.805 11.188 6.058 1.00 0.00 N ATOM 118 CA ARG A 9 7.165 10.916 5.615 1.00 0.00 C ATOM 119 C ARG A 9 7.322 9.485 5.112 1.00 0.00 C ATOM 120 O ARG A 9 7.776 9.269 3.993 1.00 0.00 O ATOM 121 CB ARG A 9 8.183 11.184 6.737 1.00 0.00 C ATOM 122 CG ARG A 9 8.397 12.660 7.074 1.00 0.00 C ATOM 123 CD ARG A 9 7.222 13.258 7.834 1.00 0.00 C ATOM 124 NE ARG A 9 6.996 12.580 9.113 1.00 0.00 N ATOM 125 CZ ARG A 9 6.794 13.205 10.277 1.00 0.00 C ATOM 126 NH1 ARG A 9 6.769 14.534 10.331 1.00 0.00 N ATOM 127 NH2 ARG A 9 6.609 12.494 11.384 1.00 0.00 N ATOM 0 H ARG A 9 5.703 11.273 7.069 1.00 0.00 H new ATOM 0 HA ARG A 9 7.364 11.596 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.854 10.665 7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.141 10.749 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.303 12.766 7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.554 13.221 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.407 14.317 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.322 13.190 7.223 1.00 0.00 H new ATOM 0 HE ARG A 9 6.993 11.560 9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.904 15.082 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.614 15.005 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.621 11.475 11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.455 12.967 12.274 1.00 0.00 H new ATOM 141 N GLN A 10 6.925 8.517 5.934 1.00 0.00 N ATOM 142 CA GLN A 10 7.081 7.102 5.591 1.00 0.00 C ATOM 143 C GLN A 10 6.275 6.738 4.351 1.00 0.00 C ATOM 144 O GLN A 10 6.794 6.122 3.439 1.00 0.00 O ATOM 145 CB GLN A 10 6.661 6.207 6.760 1.00 0.00 C ATOM 146 CG GLN A 10 6.764 4.716 6.464 1.00 0.00 C ATOM 147 CD GLN A 10 6.031 3.866 7.482 1.00 0.00 C ATOM 148 OE1 GLN A 10 5.906 4.239 8.652 1.00 0.00 O ATOM 149 NE2 GLN A 10 5.544 2.716 7.049 1.00 0.00 N ATOM 0 H GLN A 10 6.493 8.684 6.843 1.00 0.00 H new ATOM 0 HA GLN A 10 8.137 6.936 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.283 6.440 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.633 6.443 7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.359 4.518 5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.814 4.426 6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.669 2.444 6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.043 2.100 7.690 1.00 0.00 H new ATOM 158 N VAL A 11 5.011 7.122 4.331 1.00 0.00 N ATOM 159 CA VAL A 11 4.138 6.816 3.198 1.00 0.00 C ATOM 160 C VAL A 11 4.654 7.446 1.892 1.00 0.00 C ATOM 161 O VAL A 11 4.657 6.799 0.845 1.00 0.00 O ATOM 162 CB VAL A 11 2.671 7.260 3.461 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.799 6.992 2.250 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.105 6.544 4.679 1.00 0.00 C ATOM 0 H VAL A 11 4.561 7.646 5.082 1.00 0.00 H new ATOM 0 HA VAL A 11 4.151 5.732 3.084 1.00 0.00 H new ATOM 0 HB VAL A 11 2.675 8.333 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.778 7.311 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.184 7.546 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.807 5.926 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.078 6.868 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.123 5.467 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.708 6.783 5.555 1.00 0.00 H new ATOM 174 N CYS A 12 5.116 8.685 1.963 1.00 0.00 N ATOM 175 CA CYS A 12 5.607 9.376 0.769 1.00 0.00 C ATOM 176 C CYS A 12 6.944 8.778 0.312 1.00 0.00 C ATOM 177 O CYS A 12 7.139 8.480 -0.876 1.00 0.00 O ATOM 178 CB CYS A 12 5.757 10.872 1.041 1.00 0.00 C ATOM 179 SG CYS A 12 5.530 11.927 -0.426 1.00 0.00 S ATOM 0 H CYS A 12 5.163 9.232 2.822 1.00 0.00 H new ATOM 0 HA CYS A 12 4.878 9.241 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.033 11.166 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.748 11.056 1.457 1.00 0.00 H new ATOM 184 N TRP A 13 7.857 8.592 1.261 1.00 0.00 N ATOM 185 CA TRP A 13 9.147 7.980 0.976 1.00 0.00 C ATOM 186 C TRP A 13 8.940 6.560 0.464 1.00 0.00 C ATOM 187 O TRP A 13 9.589 6.121 -0.499 1.00 0.00 O ATOM 188 CB TRP A 13 10.021 7.980 2.240 1.00 0.00 C ATOM 189 CG TRP A 13 11.216 7.088 2.150 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.408 7.365 1.550 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.330 5.763 2.681 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.252 6.292 1.671 1.00 0.00 N ATOM 193 CE2 TRP A 13 12.613 5.296 2.361 1.00 0.00 C ATOM 194 CE3 TRP A 13 10.467 4.929 3.394 1.00 0.00 C ATOM 195 CZ2 TRP A 13 13.057 4.029 2.729 1.00 0.00 C ATOM 196 CZ3 TRP A 13 10.906 3.674 3.759 1.00 0.00 C ATOM 197 CH2 TRP A 13 12.192 3.235 3.425 1.00 0.00 C ATOM 0 H TRP A 13 7.725 8.858 2.237 1.00 0.00 H new ATOM 0 HA TRP A 13 9.658 8.558 0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.354 8.998 2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.413 7.672 3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.651 8.292 1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.203 6.243 1.306 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.473 5.261 3.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 14.049 3.687 2.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 10.247 3.020 4.311 1.00 0.00 H new ATOM 0 HH2 TRP A 13 12.507 2.246 3.724 1.00 0.00 H new ATOM 208 N GLY A 14 8.022 5.856 1.107 1.00 0.00 N ATOM 209 CA GLY A 14 7.688 4.522 0.709 1.00 0.00 C ATOM 210 C GLY A 14 7.201 4.486 -0.706 1.00 0.00 C ATOM 211 O GLY A 14 7.587 3.625 -1.461 1.00 0.00 O ATOM 0 H GLY A 14 7.498 6.201 1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.562 3.879 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.919 4.124 1.371 1.00 0.00 H new ATOM 215 N ALA A 15 6.370 5.463 -1.071 1.00 0.00 N ATOM 216 CA ALA A 15 5.845 5.571 -2.428 1.00 0.00 C ATOM 217 C ALA A 15 6.984 5.632 -3.445 1.00 0.00 C ATOM 218 O ALA A 15 6.898 5.041 -4.531 1.00 0.00 O ATOM 219 CB ALA A 15 4.953 6.796 -2.552 1.00 0.00 C ATOM 0 H ALA A 15 6.046 6.195 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 15 5.249 4.683 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.568 6.864 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.120 6.712 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.530 7.691 -2.322 1.00 0.00 H new ATOM 225 N ARG A 16 8.049 6.350 -3.090 1.00 0.00 N ATOM 226 CA ARG A 16 9.232 6.436 -3.934 1.00 0.00 C ATOM 227 C ARG A 16 9.835 5.045 -4.166 1.00 0.00 C ATOM 228 O ARG A 16 10.162 4.680 -5.300 1.00 0.00 O ATOM 229 CB ARG A 16 10.268 7.365 -3.300 1.00 0.00 C ATOM 230 CG ARG A 16 11.617 7.353 -3.994 1.00 0.00 C ATOM 231 CD ARG A 16 12.560 8.367 -3.380 1.00 0.00 C ATOM 232 NE ARG A 16 12.090 9.734 -3.591 1.00 0.00 N ATOM 233 CZ ARG A 16 12.621 10.816 -3.013 1.00 0.00 C ATOM 234 NH1 ARG A 16 13.620 10.687 -2.144 1.00 0.00 N ATOM 235 NH2 ARG A 16 12.151 12.022 -3.303 1.00 0.00 N ATOM 0 H ARG A 16 8.113 6.880 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 16 8.937 6.847 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.878 8.383 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.405 7.080 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.055 6.357 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.485 7.571 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.656 8.175 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.553 8.252 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 16 11.302 9.872 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.982 9.761 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.023 11.514 -1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.384 12.124 -3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.557 12.847 -2.862 1.00 0.00 H new ATOM 249 N ASP A 17 9.973 4.275 -3.096 1.00 0.00 N ATOM 250 CA ASP A 17 10.513 2.912 -3.198 1.00 0.00 C ATOM 251 C ASP A 17 9.512 1.974 -3.855 1.00 0.00 C ATOM 252 O ASP A 17 9.898 1.050 -4.576 1.00 0.00 O ATOM 253 CB ASP A 17 10.925 2.372 -1.826 1.00 0.00 C ATOM 254 CG ASP A 17 12.385 2.630 -1.517 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.197 1.674 -1.598 1.00 0.00 O ATOM 256 OD2 ASP A 17 12.741 3.784 -1.213 1.00 0.00 O ATOM 0 H ASP A 17 9.722 4.561 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 17 11.403 2.961 -3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.307 2.834 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.733 1.300 -1.788 1.00 0.00 H new ATOM 261 N GLU A 18 8.229 2.232 -3.614 1.00 0.00 N ATOM 262 CA GLU A 18 7.133 1.448 -4.182 1.00 0.00 C ATOM 263 C GLU A 18 7.204 1.412 -5.694 1.00 0.00 C ATOM 264 O GLU A 18 6.881 0.396 -6.317 1.00 0.00 O ATOM 265 CB GLU A 18 5.794 2.018 -3.745 1.00 0.00 C ATOM 266 CG GLU A 18 5.443 1.730 -2.304 1.00 0.00 C ATOM 267 CD GLU A 18 5.088 0.289 -2.063 1.00 0.00 C ATOM 268 OE1 GLU A 18 5.606 -0.294 -1.094 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.289 -0.273 -2.848 1.00 0.00 O ATOM 0 H GLU A 18 7.917 2.996 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 18 7.231 0.428 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.803 3.097 -3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.012 1.613 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.286 2.002 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.604 2.360 -2.007 1.00 0.00 H new ATOM 276 N TYR A 19 7.615 2.527 -6.289 1.00 0.00 N ATOM 277 CA TYR A 19 7.765 2.605 -7.734 1.00 0.00 C ATOM 278 C TYR A 19 8.750 1.547 -8.232 1.00 0.00 C ATOM 279 O TYR A 19 8.569 0.967 -9.301 1.00 0.00 O ATOM 280 CB TYR A 19 8.235 4.007 -8.158 1.00 0.00 C ATOM 281 CG TYR A 19 8.510 4.130 -9.642 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.471 4.283 -10.551 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.809 4.079 -10.134 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.718 4.380 -11.907 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.065 4.179 -11.486 1.00 0.00 C ATOM 286 CZ TYR A 19 9.017 4.329 -12.368 1.00 0.00 C ATOM 287 OH TYR A 19 9.270 4.418 -13.721 1.00 0.00 O ATOM 0 H TYR A 19 7.849 3.387 -5.792 1.00 0.00 H new ATOM 0 HA TYR A 19 6.791 2.414 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.476 4.737 -7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.141 4.260 -7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.453 4.327 -10.192 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.633 3.959 -9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.899 4.495 -12.602 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.081 4.140 -11.851 1.00 0.00 H new ATOM 0 HH TYR A 19 10.236 4.367 -13.877 1.00 0.00 H new ATOM 297 N TRP A 20 9.779 1.292 -7.445 1.00 0.00 N ATOM 298 CA TRP A 20 10.785 0.311 -7.807 1.00 0.00 C ATOM 299 C TRP A 20 10.289 -1.083 -7.453 1.00 0.00 C ATOM 300 O TRP A 20 10.078 -1.928 -8.328 1.00 0.00 O ATOM 301 CB TRP A 20 12.111 0.613 -7.097 1.00 0.00 C ATOM 302 CG TRP A 20 13.229 -0.303 -7.492 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.823 -1.253 -6.713 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.884 -0.360 -8.765 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.808 -1.894 -7.421 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.868 -1.362 -8.684 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.736 0.343 -9.963 1.00 0.00 C ATOM 308 CZ2 TRP A 20 15.696 -1.682 -9.756 1.00 0.00 C ATOM 309 CZ3 TRP A 20 14.559 0.026 -11.026 1.00 0.00 C ATOM 310 CH2 TRP A 20 15.527 -0.978 -10.916 1.00 0.00 C ATOM 0 H TRP A 20 9.940 1.752 -6.549 1.00 0.00 H new ATOM 0 HA TRP A 20 10.961 0.360 -8.882 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.402 1.641 -7.313 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.960 0.544 -6.020 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.557 -1.469 -5.689 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.400 -2.645 -7.066 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.992 1.120 -10.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.444 -2.457 -9.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.453 0.562 -11.958 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.155 -1.202 -11.766 1.00 0.00 H new ATOM 321 N LYS A 21 10.082 -1.302 -6.175 1.00 0.00 N ATOM 322 CA LYS A 21 9.569 -2.557 -5.678 1.00 0.00 C ATOM 323 C LYS A 21 8.283 -2.299 -4.932 1.00 0.00 C ATOM 324 O LYS A 21 8.278 -1.603 -3.921 1.00 0.00 O ATOM 325 CB LYS A 21 10.591 -3.243 -4.758 1.00 0.00 C ATOM 326 CG LYS A 21 10.070 -4.518 -4.087 1.00 0.00 C ATOM 327 CD LYS A 21 9.729 -5.605 -5.101 1.00 0.00 C ATOM 328 CE LYS A 21 10.977 -6.174 -5.760 1.00 0.00 C ATOM 329 NZ LYS A 21 11.862 -6.856 -4.778 1.00 0.00 N ATOM 0 H LYS A 21 10.266 -0.611 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 21 9.380 -3.224 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.480 -3.488 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.899 -2.538 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.821 -4.894 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.183 -4.281 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.182 -6.407 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.069 -5.195 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.687 -6.880 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.528 -5.370 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.546 -7.454 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.372 -6.144 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.287 -7.448 -4.145 1.00 0.00 H new ATOM 343 N CYS A 22 7.196 -2.827 -5.444 1.00 0.00 N ATOM 344 CA CYS A 22 5.914 -2.624 -4.826 1.00 0.00 C ATOM 345 C CYS A 22 5.825 -3.391 -3.510 1.00 0.00 C ATOM 346 O CYS A 22 6.359 -4.501 -3.384 1.00 0.00 O ATOM 347 CB CYS A 22 4.803 -3.047 -5.788 1.00 0.00 C ATOM 348 SG CYS A 22 4.983 -4.747 -6.437 1.00 0.00 S ATOM 0 H CYS A 22 7.177 -3.400 -6.288 1.00 0.00 H new ATOM 0 HA CYS A 22 5.791 -1.565 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.844 -2.965 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.778 -2.351 -6.626 1.00 0.00 H new ATOM 353 N LEU A 23 5.149 -2.784 -2.541 1.00 0.00 N ATOM 354 CA LEU A 23 4.983 -3.338 -1.207 1.00 0.00 C ATOM 355 C LEU A 23 6.336 -3.483 -0.522 1.00 0.00 C ATOM 356 O LEU A 23 6.639 -4.518 0.071 1.00 0.00 O ATOM 357 CB LEU A 23 4.240 -4.679 -1.239 1.00 0.00 C ATOM 358 CG LEU A 23 3.207 -4.886 -0.128 1.00 0.00 C ATOM 359 CD1 LEU A 23 3.836 -4.729 1.246 1.00 0.00 C ATOM 360 CD2 LEU A 23 2.041 -3.925 -0.293 1.00 0.00 C ATOM 0 H LEU A 23 4.695 -1.879 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 23 4.372 -2.643 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.737 -4.773 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.974 -5.483 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 23 2.830 -5.906 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.077 -4.882 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.630 -5.466 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.253 -3.727 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.319 -4.089 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.406 -2.899 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.561 -4.097 -1.256 1.00 0.00 H new ATOM 372 N ASP A 24 7.121 -2.420 -0.569 1.00 0.00 N ATOM 373 CA ASP A 24 8.458 -2.405 0.022 1.00 0.00 C ATOM 374 C ASP A 24 8.373 -2.458 1.547 1.00 0.00 C ATOM 375 O ASP A 24 9.352 -2.765 2.226 1.00 0.00 O ATOM 376 CB ASP A 24 9.237 -1.156 -0.427 1.00 0.00 C ATOM 377 CG ASP A 24 10.692 -1.180 0.019 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.491 -1.938 -0.576 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.052 -0.441 0.960 1.00 0.00 O ATOM 0 H ASP A 24 6.855 -1.543 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 24 8.993 -3.289 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.195 -1.078 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.752 -0.266 -0.025 1.00 0.00 H new ATOM 384 N GLU A 25 7.183 -2.160 2.069 1.00 0.00 N ATOM 385 CA GLU A 25 6.926 -2.163 3.512 1.00 0.00 C ATOM 386 C GLU A 25 7.365 -3.462 4.180 1.00 0.00 C ATOM 387 O GLU A 25 8.249 -3.465 5.031 1.00 0.00 O ATOM 388 CB GLU A 25 5.435 -1.993 3.753 1.00 0.00 C ATOM 389 CG GLU A 25 4.954 -0.569 3.737 1.00 0.00 C ATOM 390 CD GLU A 25 5.470 0.215 4.922 1.00 0.00 C ATOM 391 OE1 GLU A 25 6.325 1.094 4.733 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.023 -0.063 6.059 1.00 0.00 O ATOM 0 H GLU A 25 6.370 -1.910 1.506 1.00 0.00 H new ATOM 0 HA GLU A 25 7.501 -1.344 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.892 -2.554 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.184 -2.436 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.278 -0.087 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.864 -0.554 3.739 1.00 0.00 H new ATOM 399 N ASN A 26 6.744 -4.558 3.791 1.00 0.00 N ATOM 400 CA ASN A 26 7.066 -5.851 4.377 1.00 0.00 C ATOM 401 C ASN A 26 7.168 -6.961 3.334 1.00 0.00 C ATOM 402 O ASN A 26 7.764 -8.004 3.593 1.00 0.00 O ATOM 403 CB ASN A 26 6.032 -6.222 5.440 1.00 0.00 C ATOM 404 CG ASN A 26 4.602 -5.994 4.982 1.00 0.00 C ATOM 405 OD1 ASN A 26 4.025 -6.823 4.287 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.016 -4.875 5.386 1.00 0.00 N ATOM 0 H ASN A 26 6.017 -4.583 3.076 1.00 0.00 H new ATOM 0 HA ASN A 26 8.049 -5.755 4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.158 -7.270 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.217 -5.635 6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.051 -4.679 5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.530 -4.210 5.964 1.00 0.00 H new ATOM 413 N LEU A 27 6.580 -6.728 2.157 1.00 0.00 N ATOM 414 CA LEU A 27 6.572 -7.712 1.064 1.00 0.00 C ATOM 415 C LEU A 27 5.949 -9.046 1.507 1.00 0.00 C ATOM 416 O LEU A 27 6.272 -10.101 0.961 1.00 0.00 O ATOM 417 CB LEU A 27 7.995 -7.958 0.502 1.00 0.00 C ATOM 418 CG LEU A 27 8.713 -6.748 -0.117 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.340 -5.873 0.958 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.763 -7.202 -1.118 1.00 0.00 C ATOM 0 H LEU A 27 6.098 -5.858 1.933 1.00 0.00 H new ATOM 0 HA LEU A 27 5.957 -7.288 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.617 -8.346 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.931 -8.739 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 27 7.969 -6.151 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.841 -5.025 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.563 -5.510 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.066 -6.456 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.260 -6.331 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.499 -7.829 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.284 -7.773 -1.914 1.00 0.00 H new ATOM 432 N GLU A 28 5.044 -8.995 2.488 1.00 0.00 N ATOM 433 CA GLU A 28 4.392 -10.206 2.984 1.00 0.00 C ATOM 434 C GLU A 28 3.454 -10.776 1.922 1.00 0.00 C ATOM 435 O GLU A 28 3.418 -11.980 1.695 1.00 0.00 O ATOM 436 CB GLU A 28 3.640 -9.920 4.290 1.00 0.00 C ATOM 437 CG GLU A 28 3.028 -11.148 4.945 1.00 0.00 C ATOM 438 CD GLU A 28 2.388 -10.833 6.283 1.00 0.00 C ATOM 439 OE1 GLU A 28 3.099 -10.851 7.309 1.00 0.00 O ATOM 440 OE2 GLU A 28 1.171 -10.570 6.322 1.00 0.00 O ATOM 0 H GLU A 28 4.749 -8.135 2.950 1.00 0.00 H new ATOM 0 HA GLU A 28 5.158 -10.952 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.327 -9.451 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.848 -9.198 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.279 -11.576 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.800 -11.905 5.084 1.00 0.00 H new ATOM 447 N ASP A 29 2.709 -9.900 1.269 1.00 0.00 N ATOM 448 CA ASP A 29 1.827 -10.304 0.181 1.00 0.00 C ATOM 449 C ASP A 29 2.013 -9.360 -0.986 1.00 0.00 C ATOM 450 O ASP A 29 1.284 -8.379 -1.145 1.00 0.00 O ATOM 451 CB ASP A 29 0.362 -10.332 0.620 1.00 0.00 C ATOM 452 CG ASP A 29 -0.550 -10.974 -0.419 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.762 -12.209 -0.345 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.065 -10.256 -1.305 1.00 0.00 O ATOM 0 H ASP A 29 2.696 -8.901 1.472 1.00 0.00 H new ATOM 0 HA ASP A 29 2.091 -11.318 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.278 -10.879 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.025 -9.314 0.814 1.00 0.00 H new ATOM 459 N ALA A 30 3.026 -9.632 -1.769 1.00 0.00 N ATOM 460 CA ALA A 30 3.366 -8.802 -2.904 1.00 0.00 C ATOM 461 C ALA A 30 2.323 -8.894 -4.016 1.00 0.00 C ATOM 462 O ALA A 30 2.326 -8.094 -4.938 1.00 0.00 O ATOM 463 CB ALA A 30 4.747 -9.156 -3.428 1.00 0.00 C ATOM 0 H ALA A 30 3.641 -10.435 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 30 3.376 -7.768 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.986 -8.522 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.486 -9.000 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.762 -10.201 -3.737 1.00 0.00 H new ATOM 469 N SER A 31 1.435 -9.859 -3.930 1.00 0.00 N ATOM 470 CA SER A 31 0.384 -10.001 -4.921 1.00 0.00 C ATOM 471 C SER A 31 -0.589 -8.812 -4.830 1.00 0.00 C ATOM 472 O SER A 31 -1.216 -8.418 -5.814 1.00 0.00 O ATOM 473 CB SER A 31 -0.357 -11.329 -4.724 1.00 0.00 C ATOM 474 OG SER A 31 -1.196 -11.626 -5.831 1.00 0.00 O ATOM 0 H SER A 31 1.417 -10.557 -3.187 1.00 0.00 H new ATOM 0 HA SER A 31 0.831 -10.006 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.366 -12.133 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.956 -11.281 -3.815 1.00 0.00 H new ATOM 0 HG SER A 31 -1.653 -12.479 -5.676 1.00 0.00 H new ATOM 480 N GLN A 32 -0.685 -8.225 -3.642 1.00 0.00 N ATOM 481 CA GLN A 32 -1.557 -7.082 -3.425 1.00 0.00 C ATOM 482 C GLN A 32 -0.801 -5.774 -3.681 1.00 0.00 C ATOM 483 O GLN A 32 -1.384 -4.685 -3.630 1.00 0.00 O ATOM 484 CB GLN A 32 -2.083 -7.092 -1.980 1.00 0.00 C ATOM 485 CG GLN A 32 -3.338 -6.254 -1.773 1.00 0.00 C ATOM 486 CD GLN A 32 -4.564 -6.894 -2.390 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.465 -7.637 -3.367 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.722 -6.605 -1.839 1.00 0.00 N ATOM 0 H GLN A 32 -0.168 -8.524 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.394 -7.150 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.293 -8.121 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.300 -6.725 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.504 -6.110 -0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.188 -5.266 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.761 -5.985 -1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.581 -7.001 -2.220 1.00 0.00 H new ATOM 497 N CYS A 33 0.483 -5.892 -3.993 1.00 0.00 N ATOM 498 CA CYS A 33 1.349 -4.728 -4.135 1.00 0.00 C ATOM 499 C CYS A 33 0.909 -3.796 -5.248 1.00 0.00 C ATOM 500 O CYS A 33 0.975 -2.606 -5.090 1.00 0.00 O ATOM 501 CB CYS A 33 2.798 -5.137 -4.369 1.00 0.00 C ATOM 502 SG CYS A 33 3.181 -5.602 -6.095 1.00 0.00 S ATOM 0 H CYS A 33 0.949 -6.785 -4.153 1.00 0.00 H new ATOM 0 HA CYS A 33 1.269 -4.188 -3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.448 -4.313 -4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.035 -5.978 -3.718 1.00 0.00 H new ATOM 507 N LYS A 34 0.454 -4.340 -6.373 1.00 0.00 N ATOM 508 CA LYS A 34 0.083 -3.498 -7.513 1.00 0.00 C ATOM 509 C LYS A 34 -1.004 -2.498 -7.161 1.00 0.00 C ATOM 510 O LYS A 34 -0.924 -1.329 -7.532 1.00 0.00 O ATOM 511 CB LYS A 34 -0.322 -4.336 -8.724 1.00 0.00 C ATOM 512 CG LYS A 34 0.837 -5.051 -9.390 1.00 0.00 C ATOM 513 CD LYS A 34 1.960 -4.078 -9.715 1.00 0.00 C ATOM 514 CE LYS A 34 2.938 -4.675 -10.700 1.00 0.00 C ATOM 515 NZ LYS A 34 2.346 -4.805 -12.054 1.00 0.00 N ATOM 0 H LYS A 34 0.334 -5.342 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 34 0.974 -2.929 -7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.061 -5.074 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.806 -3.689 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.210 -5.837 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.494 -5.535 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.541 -3.160 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.484 -3.806 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.829 -4.050 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.257 -5.656 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.105 -4.922 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.719 -5.635 -12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.798 -3.950 -12.277 1.00 0.00 H new ATOM 529 N LYS A 35 -2.000 -2.948 -6.427 1.00 0.00 N ATOM 530 CA LYS A 35 -3.086 -2.075 -6.032 1.00 0.00 C ATOM 531 C LYS A 35 -2.615 -1.072 -4.984 1.00 0.00 C ATOM 532 O LYS A 35 -2.807 0.145 -5.134 1.00 0.00 O ATOM 533 CB LYS A 35 -4.284 -2.882 -5.499 1.00 0.00 C ATOM 534 CG LYS A 35 -5.080 -3.633 -6.573 1.00 0.00 C ATOM 535 CD LYS A 35 -4.360 -4.885 -7.085 1.00 0.00 C ATOM 536 CE LYS A 35 -4.245 -5.950 -6.000 1.00 0.00 C ATOM 537 NZ LYS A 35 -3.814 -7.266 -6.544 1.00 0.00 N ATOM 0 H LYS A 35 -2.081 -3.908 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.412 -1.529 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.922 -3.602 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.957 -2.204 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.050 -3.919 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.272 -2.963 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.900 -5.292 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.364 -4.614 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.532 -5.620 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.208 -6.063 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.475 -8.005 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.808 -7.227 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.858 -7.488 -6.200 1.00 0.00 H new ATOM 551 N LEU A 36 -1.967 -1.580 -3.942 1.00 0.00 N ATOM 552 CA LEU A 36 -1.507 -0.737 -2.848 1.00 0.00 C ATOM 553 C LEU A 36 -0.462 0.286 -3.344 1.00 0.00 C ATOM 554 O LEU A 36 -0.526 1.468 -2.998 1.00 0.00 O ATOM 555 CB LEU A 36 -0.952 -1.594 -1.688 1.00 0.00 C ATOM 556 CG LEU A 36 -1.866 -2.747 -1.178 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.420 -3.236 0.182 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.326 -2.333 -1.137 1.00 0.00 C ATOM 0 H LEU A 36 -1.749 -2.570 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.361 -0.178 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.003 -2.026 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.736 -0.933 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.771 -3.567 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.077 -4.041 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.397 -3.606 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.465 -2.414 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.930 -3.165 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.444 -1.481 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.654 -2.055 -2.139 1.00 0.00 H new ATOM 570 N ARG A 37 0.484 -0.179 -4.171 1.00 0.00 N ATOM 571 CA ARG A 37 1.507 0.695 -4.772 1.00 0.00 C ATOM 572 C ARG A 37 0.852 1.813 -5.574 1.00 0.00 C ATOM 573 O ARG A 37 1.281 2.969 -5.514 1.00 0.00 O ATOM 574 CB ARG A 37 2.429 -0.104 -5.711 1.00 0.00 C ATOM 575 CG ARG A 37 3.393 0.768 -6.503 1.00 0.00 C ATOM 576 CD ARG A 37 3.795 0.127 -7.819 1.00 0.00 C ATOM 577 NE ARG A 37 3.800 1.111 -8.904 1.00 0.00 N ATOM 578 CZ ARG A 37 4.581 1.074 -9.981 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.482 0.110 -10.132 1.00 0.00 N ATOM 580 NH2 ARG A 37 4.464 2.020 -10.905 1.00 0.00 N ATOM 0 H ARG A 37 0.564 -1.159 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 37 2.094 1.118 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.001 -0.821 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.817 -0.678 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.929 1.735 -6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.285 0.957 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.785 -0.318 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.104 -0.681 -8.060 1.00 0.00 H new ATOM 0 HE ARG A 37 3.149 1.892 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.581 -0.612 -9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.075 0.092 -10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.780 2.767 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.058 2.000 -11.734 1.00 0.00 H new ATOM 594 N SER A 38 -0.185 1.456 -6.331 1.00 0.00 N ATOM 595 CA SER A 38 -0.900 2.412 -7.160 1.00 0.00 C ATOM 596 C SER A 38 -1.440 3.559 -6.311 1.00 0.00 C ATOM 597 O SER A 38 -1.426 4.720 -6.735 1.00 0.00 O ATOM 598 CB SER A 38 -2.040 1.718 -7.920 1.00 0.00 C ATOM 599 OG SER A 38 -2.661 2.602 -8.845 1.00 0.00 O ATOM 0 H SER A 38 -0.547 0.504 -6.384 1.00 0.00 H new ATOM 0 HA SER A 38 -0.203 2.825 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.650 0.849 -8.450 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.782 1.351 -7.211 1.00 0.00 H new ATOM 0 HG SER A 38 -3.381 2.131 -9.314 1.00 0.00 H new ATOM 605 N SER A 39 -1.903 3.234 -5.113 1.00 0.00 N ATOM 606 CA SER A 39 -2.407 4.246 -4.201 1.00 0.00 C ATOM 607 C SER A 39 -1.266 5.089 -3.633 1.00 0.00 C ATOM 608 O SER A 39 -1.400 6.301 -3.481 1.00 0.00 O ATOM 609 CB SER A 39 -3.182 3.596 -3.080 1.00 0.00 C ATOM 610 OG SER A 39 -4.167 2.730 -3.596 1.00 0.00 O ATOM 0 H SER A 39 -1.940 2.281 -4.752 1.00 0.00 H new ATOM 0 HA SER A 39 -3.072 4.906 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.502 3.039 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.651 4.362 -2.463 1.00 0.00 H new ATOM 0 HG SER A 39 -4.229 1.931 -3.031 1.00 0.00 H new ATOM 616 N PHE A 40 -0.144 4.444 -3.329 1.00 0.00 N ATOM 617 CA PHE A 40 1.022 5.135 -2.807 1.00 0.00 C ATOM 618 C PHE A 40 1.511 6.189 -3.788 1.00 0.00 C ATOM 619 O PHE A 40 1.749 7.338 -3.420 1.00 0.00 O ATOM 620 CB PHE A 40 2.142 4.138 -2.527 1.00 0.00 C ATOM 621 CG PHE A 40 2.149 3.585 -1.132 1.00 0.00 C ATOM 622 CD1 PHE A 40 1.310 2.546 -0.776 1.00 0.00 C ATOM 623 CD2 PHE A 40 3.006 4.105 -0.176 1.00 0.00 C ATOM 624 CE1 PHE A 40 1.323 2.035 0.505 1.00 0.00 C ATOM 625 CE2 PHE A 40 3.023 3.599 1.107 1.00 0.00 C ATOM 626 CZ PHE A 40 2.182 2.563 1.448 1.00 0.00 C ATOM 0 H PHE A 40 -0.021 3.437 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 40 0.736 5.629 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.059 3.311 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.099 4.624 -2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.636 2.129 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.669 4.916 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.662 1.223 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.695 4.015 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.194 2.164 2.452 1.00 0.00 H new ATOM 636 N GLU A 41 1.631 5.796 -5.037 1.00 0.00 N ATOM 637 CA GLU A 41 2.122 6.689 -6.082 1.00 0.00 C ATOM 638 C GLU A 41 1.028 7.623 -6.581 1.00 0.00 C ATOM 639 O GLU A 41 1.277 8.489 -7.419 1.00 0.00 O ATOM 640 CB GLU A 41 2.696 5.892 -7.252 1.00 0.00 C ATOM 641 CG GLU A 41 1.662 5.072 -8.013 1.00 0.00 C ATOM 642 CD GLU A 41 2.253 4.311 -9.182 1.00 0.00 C ATOM 643 OE1 GLU A 41 2.089 3.077 -9.237 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.887 4.948 -10.056 1.00 0.00 O ATOM 0 H GLU A 41 1.395 4.859 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 41 2.914 7.295 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.179 6.581 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.470 5.223 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.191 4.367 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.877 5.735 -8.378 1.00 0.00 H new ATOM 651 N SER A 42 -0.184 7.442 -6.071 1.00 0.00 N ATOM 652 CA SER A 42 -1.312 8.252 -6.488 1.00 0.00 C ATOM 653 C SER A 42 -1.048 9.722 -6.191 1.00 0.00 C ATOM 654 O SER A 42 -1.375 10.595 -6.994 1.00 0.00 O ATOM 655 CB SER A 42 -2.602 7.784 -5.799 1.00 0.00 C ATOM 656 OG SER A 42 -3.750 8.428 -6.338 1.00 0.00 O ATOM 0 H SER A 42 -0.407 6.739 -5.367 1.00 0.00 H new ATOM 0 HA SER A 42 -1.440 8.134 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.704 6.705 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.538 7.988 -4.730 1.00 0.00 H new ATOM 0 HG SER A 42 -4.553 8.105 -5.877 1.00 0.00 H new ATOM 662 N SER A 43 -0.475 9.996 -5.027 1.00 0.00 N ATOM 663 CA SER A 43 -0.146 11.364 -4.661 1.00 0.00 C ATOM 664 C SER A 43 1.048 11.424 -3.698 1.00 0.00 C ATOM 665 O SER A 43 2.192 11.569 -4.126 1.00 0.00 O ATOM 666 CB SER A 43 -1.369 12.074 -4.059 1.00 0.00 C ATOM 667 OG SER A 43 -2.451 12.099 -4.981 1.00 0.00 O ATOM 0 H SER A 43 -0.231 9.296 -4.327 1.00 0.00 H new ATOM 0 HA SER A 43 0.144 11.887 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.677 11.564 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.101 13.093 -3.780 1.00 0.00 H new ATOM 0 HG SER A 43 -3.217 12.554 -4.574 1.00 0.00 H new ATOM 673 N CYS A 44 0.755 11.254 -2.401 1.00 0.00 N ATOM 674 CA CYS A 44 1.748 11.331 -1.313 1.00 0.00 C ATOM 675 C CYS A 44 1.043 11.440 0.066 1.00 0.00 C ATOM 676 O CYS A 44 1.409 10.727 1.003 1.00 0.00 O ATOM 677 CB CYS A 44 2.730 12.512 -1.502 1.00 0.00 C ATOM 678 SG CYS A 44 3.773 12.873 -0.047 1.00 0.00 S ATOM 0 H CYS A 44 -0.190 11.056 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 44 2.329 10.410 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.377 12.297 -2.352 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.159 13.406 -1.754 1.00 0.00 H new ATOM 683 N PRO A 45 0.020 12.356 0.223 1.00 0.00 N ATOM 684 CA PRO A 45 -0.739 12.480 1.479 1.00 0.00 C ATOM 685 C PRO A 45 -1.336 11.142 1.919 1.00 0.00 C ATOM 686 O PRO A 45 -2.049 10.487 1.152 1.00 0.00 O ATOM 687 CB PRO A 45 -1.854 13.467 1.127 1.00 0.00 C ATOM 688 CG PRO A 45 -1.307 14.275 0.012 1.00 0.00 C ATOM 689 CD PRO A 45 -0.442 13.347 -0.783 1.00 0.00 C ATOM 0 HA PRO A 45 -0.110 12.807 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.764 12.946 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -2.111 14.094 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.108 14.685 -0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.730 15.120 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.000 12.870 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.395 13.873 -1.242 1.00 0.00 H new ATOM 697 N GLN A 46 -1.053 10.750 3.155 1.00 0.00 N ATOM 698 CA GLN A 46 -1.510 9.467 3.678 1.00 0.00 C ATOM 699 C GLN A 46 -3.020 9.407 3.809 1.00 0.00 C ATOM 700 O GLN A 46 -3.600 8.352 3.613 1.00 0.00 O ATOM 701 CB GLN A 46 -0.811 9.136 5.012 1.00 0.00 C ATOM 702 CG GLN A 46 -1.278 7.838 5.684 1.00 0.00 C ATOM 703 CD GLN A 46 -2.295 8.083 6.785 1.00 0.00 C ATOM 704 OE1 GLN A 46 -3.556 8.063 6.429 1.00 0.00 O flip ATOM 705 NE2 GLN A 46 -1.940 8.282 7.944 1.00 0.00 N flip ATOM 0 H GLN A 46 -0.508 11.303 3.816 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.230 8.703 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.263 9.070 4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.971 9.963 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.714 7.180 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.415 7.318 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.948 8.290 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.638 8.440 8.671 1.00 0.00 H new ATOM 714 N GLN A 47 -3.663 10.518 4.137 1.00 0.00 N ATOM 715 CA GLN A 47 -5.118 10.513 4.247 1.00 0.00 C ATOM 716 C GLN A 47 -5.739 10.186 2.896 1.00 0.00 C ATOM 717 O GLN A 47 -6.713 9.454 2.815 1.00 0.00 O ATOM 718 CB GLN A 47 -5.650 11.840 4.791 1.00 0.00 C ATOM 719 CG GLN A 47 -5.306 12.081 6.255 1.00 0.00 C ATOM 720 CD GLN A 47 -5.931 11.047 7.178 1.00 0.00 C ATOM 721 OE1 GLN A 47 -7.123 11.334 7.666 1.00 0.00 O flip ATOM 722 NE2 GLN A 47 -5.343 10.002 7.452 1.00 0.00 N flip ATOM 0 H GLN A 47 -3.216 11.415 4.328 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.402 9.741 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.246 12.656 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.733 11.863 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.223 12.065 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.645 13.075 6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.422 9.816 7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.776 9.322 8.076 1.00 0.00 H new ATOM 731 N TRP A 48 -5.144 10.715 1.840 1.00 0.00 N ATOM 732 CA TRP A 48 -5.584 10.434 0.478 1.00 0.00 C ATOM 733 C TRP A 48 -5.307 8.969 0.138 1.00 0.00 C ATOM 734 O TRP A 48 -6.204 8.223 -0.263 1.00 0.00 O ATOM 735 CB TRP A 48 -4.827 11.347 -0.503 1.00 0.00 C ATOM 736 CG TRP A 48 -5.217 11.178 -1.946 1.00 0.00 C ATOM 737 CD1 TRP A 48 -4.900 10.134 -2.774 1.00 0.00 C ATOM 738 CD2 TRP A 48 -5.979 12.093 -2.734 1.00 0.00 C ATOM 739 NE1 TRP A 48 -5.432 10.343 -4.020 1.00 0.00 N ATOM 740 CE2 TRP A 48 -6.097 11.540 -4.023 1.00 0.00 C ATOM 741 CE3 TRP A 48 -6.577 13.324 -2.472 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -6.790 12.180 -5.045 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -7.261 13.957 -3.487 1.00 0.00 C ATOM 744 CH2 TRP A 48 -7.364 13.384 -4.759 1.00 0.00 C ATOM 0 H TRP A 48 -4.347 11.348 1.899 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.654 10.623 0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.994 12.385 -0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.758 11.157 -0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.316 9.272 -2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.346 9.710 -4.815 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -6.506 13.773 -1.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.871 11.740 -6.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -7.726 14.913 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.910 13.906 -5.531 1.00 0.00 H new ATOM 755 N ILE A 49 -4.056 8.581 0.321 1.00 0.00 N ATOM 756 CA ILE A 49 -3.578 7.238 0.019 1.00 0.00 C ATOM 757 C ILE A 49 -4.313 6.169 0.821 1.00 0.00 C ATOM 758 O ILE A 49 -4.919 5.272 0.251 1.00 0.00 O ATOM 759 CB ILE A 49 -2.057 7.145 0.280 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.304 7.964 -0.776 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.574 5.691 0.315 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.184 8.057 -0.544 1.00 0.00 C ATOM 0 H ILE A 49 -3.332 9.198 0.689 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.781 7.050 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.847 7.563 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.480 7.521 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.720 8.971 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.500 5.669 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.091 5.155 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.787 5.214 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.639 8.653 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.373 8.529 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.616 7.056 -0.549 1.00 0.00 H new ATOM 774 N LYS A 50 -4.274 6.287 2.138 1.00 0.00 N ATOM 775 CA LYS A 50 -4.894 5.305 3.011 1.00 0.00 C ATOM 776 C LYS A 50 -6.400 5.238 2.812 1.00 0.00 C ATOM 777 O LYS A 50 -6.989 4.188 2.983 1.00 0.00 O ATOM 778 CB LYS A 50 -4.567 5.581 4.480 1.00 0.00 C ATOM 779 CG LYS A 50 -3.349 4.829 5.013 1.00 0.00 C ATOM 780 CD LYS A 50 -3.533 3.311 4.961 1.00 0.00 C ATOM 781 CE LYS A 50 -4.806 2.857 5.680 1.00 0.00 C ATOM 782 NZ LYS A 50 -4.917 1.376 5.729 1.00 0.00 N ATOM 0 H LYS A 50 -3.817 7.057 2.627 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.476 4.336 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.401 6.651 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.434 5.319 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.471 5.106 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.158 5.134 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.570 2.987 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.669 2.826 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.811 3.255 6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.677 3.270 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.886 1.092 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.248 0.955 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.695 1.043 6.689 1.00 0.00 H new ATOM 796 N TYR A 51 -7.017 6.359 2.452 1.00 0.00 N ATOM 797 CA TYR A 51 -8.472 6.381 2.241 1.00 0.00 C ATOM 798 C TYR A 51 -8.876 5.559 1.017 1.00 0.00 C ATOM 799 O TYR A 51 -9.755 4.700 1.099 1.00 0.00 O ATOM 800 CB TYR A 51 -8.986 7.819 2.097 1.00 0.00 C ATOM 801 CG TYR A 51 -10.453 7.924 1.720 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.452 7.694 2.658 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.833 8.258 0.425 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.789 7.790 2.315 1.00 0.00 C ATOM 805 CE2 TYR A 51 -12.164 8.359 0.074 1.00 0.00 C ATOM 806 CZ TYR A 51 -13.138 8.123 1.021 1.00 0.00 C ATOM 807 OH TYR A 51 -14.467 8.221 0.672 1.00 0.00 O ATOM 0 H TYR A 51 -6.548 7.252 2.301 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.929 5.930 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.826 8.345 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.391 8.331 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -11.181 7.436 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.073 8.442 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.554 7.606 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.441 8.621 -0.936 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.540 8.465 -0.274 1.00 0.00 H new ATOM 817 N PHE A 52 -8.230 5.821 -0.107 1.00 0.00 N ATOM 818 CA PHE A 52 -8.557 5.129 -1.346 1.00 0.00 C ATOM 819 C PHE A 52 -8.086 3.681 -1.303 1.00 0.00 C ATOM 820 O PHE A 52 -8.803 2.764 -1.722 1.00 0.00 O ATOM 821 CB PHE A 52 -7.929 5.858 -2.541 1.00 0.00 C ATOM 822 CG PHE A 52 -8.202 5.208 -3.872 1.00 0.00 C ATOM 823 CD1 PHE A 52 -9.431 5.364 -4.494 1.00 0.00 C ATOM 824 CD2 PHE A 52 -7.229 4.445 -4.500 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.684 4.769 -5.716 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.477 3.848 -5.721 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.705 4.011 -6.330 1.00 0.00 C ATOM 0 H PHE A 52 -7.478 6.505 -0.189 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.641 5.129 -1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.303 6.882 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.851 5.916 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.199 5.957 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.266 4.316 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.646 4.896 -6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.711 3.255 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.901 3.547 -7.285 1.00 0.00 H new ATOM 837 N ASP A 53 -6.895 3.481 -0.776 1.00 0.00 N ATOM 838 CA ASP A 53 -6.286 2.163 -0.730 1.00 0.00 C ATOM 839 C ASP A 53 -6.972 1.260 0.276 1.00 0.00 C ATOM 840 O ASP A 53 -6.970 0.048 0.118 1.00 0.00 O ATOM 841 CB ASP A 53 -4.805 2.268 -0.403 1.00 0.00 C ATOM 842 CG ASP A 53 -4.052 1.024 -0.792 1.00 0.00 C ATOM 843 OD1 ASP A 53 -4.249 0.548 -1.939 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.243 0.534 0.025 1.00 0.00 O ATOM 0 H ASP A 53 -6.323 4.221 -0.369 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.405 1.719 -1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.379 3.127 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.681 2.448 0.665 1.00 0.00 H new ATOM 849 N LYS A 54 -7.607 1.874 1.279 1.00 0.00 N ATOM 850 CA LYS A 54 -8.256 1.161 2.396 1.00 0.00 C ATOM 851 C LYS A 54 -9.143 0.012 1.922 1.00 0.00 C ATOM 852 O LYS A 54 -9.209 -1.036 2.561 1.00 0.00 O ATOM 853 CB LYS A 54 -9.106 2.158 3.197 1.00 0.00 C ATOM 854 CG LYS A 54 -9.979 1.534 4.264 1.00 0.00 C ATOM 855 CD LYS A 54 -10.773 2.590 5.015 1.00 0.00 C ATOM 856 CE LYS A 54 -11.684 1.960 6.053 1.00 0.00 C ATOM 857 NZ LYS A 54 -10.945 1.035 6.943 1.00 0.00 N ATOM 0 H LYS A 54 -7.689 2.889 1.344 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.469 0.730 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.442 2.883 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.741 2.710 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.663 0.820 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.358 0.976 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.089 3.285 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.368 3.170 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.151 2.743 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.487 1.419 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.561 0.743 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.650 0.196 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.105 1.516 7.323 1.00 0.00 H new ATOM 871 N ARG A 55 -9.795 0.202 0.799 1.00 0.00 N ATOM 872 CA ARG A 55 -10.699 -0.801 0.262 1.00 0.00 C ATOM 873 C ARG A 55 -9.979 -2.134 -0.027 1.00 0.00 C ATOM 874 O ARG A 55 -10.492 -3.203 0.295 1.00 0.00 O ATOM 875 CB ARG A 55 -11.388 -0.258 -0.988 1.00 0.00 C ATOM 876 CG ARG A 55 -12.237 0.971 -0.707 1.00 0.00 C ATOM 877 CD ARG A 55 -12.744 1.625 -1.979 1.00 0.00 C ATOM 878 NE ARG A 55 -13.512 2.834 -1.679 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.617 3.893 -2.484 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.027 3.896 -3.673 1.00 0.00 N ATOM 881 NH2 ARG A 55 -14.320 4.950 -2.093 1.00 0.00 N ATOM 0 H ARG A 55 -9.719 1.047 0.232 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.455 -1.016 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.633 -0.009 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.017 -1.038 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.085 0.689 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.650 1.693 -0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.901 1.876 -2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.368 0.921 -2.530 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.005 2.870 -0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.489 3.085 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.112 4.709 -4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.777 4.950 -1.181 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.403 5.762 -2.705 1.00 0.00 H new ATOM 895 N ARG A 56 -8.794 -2.066 -0.627 1.00 0.00 N ATOM 896 CA ARG A 56 -8.037 -3.284 -0.960 1.00 0.00 C ATOM 897 C ARG A 56 -6.820 -3.447 -0.049 1.00 0.00 C ATOM 898 O ARG A 56 -6.072 -4.419 -0.174 1.00 0.00 O ATOM 899 CB ARG A 56 -7.552 -3.279 -2.423 1.00 0.00 C ATOM 900 CG ARG A 56 -8.571 -2.817 -3.458 1.00 0.00 C ATOM 901 CD ARG A 56 -8.677 -1.300 -3.487 1.00 0.00 C ATOM 902 NE ARG A 56 -7.355 -0.672 -3.427 1.00 0.00 N ATOM 903 CZ ARG A 56 -6.767 -0.043 -4.437 1.00 0.00 C ATOM 904 NH1 ARG A 56 -7.403 0.124 -5.593 1.00 0.00 N ATOM 905 NH2 ARG A 56 -5.545 0.431 -4.281 1.00 0.00 N ATOM 0 H ARG A 56 -8.335 -1.195 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.724 -4.118 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.674 -2.636 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.230 -4.287 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.283 -3.183 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.546 -3.248 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.190 -0.987 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.282 -0.960 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.849 -0.722 -2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.351 -0.233 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.942 0.609 -6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.062 0.312 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.084 0.916 -5.051 1.00 0.00 H new ATOM 919 N ASP A 57 -6.619 -2.484 0.841 1.00 0.00 N ATOM 920 CA ASP A 57 -5.436 -2.452 1.709 1.00 0.00 C ATOM 921 C ASP A 57 -5.285 -3.733 2.497 1.00 0.00 C ATOM 922 O ASP A 57 -6.189 -4.146 3.222 1.00 0.00 O ATOM 923 CB ASP A 57 -5.485 -1.261 2.658 1.00 0.00 C ATOM 924 CG ASP A 57 -4.123 -0.917 3.219 1.00 0.00 C ATOM 925 OD1 ASP A 57 -3.248 -1.813 3.292 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.903 0.267 3.582 1.00 0.00 O ATOM 0 H ASP A 57 -7.263 -1.706 0.986 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.567 -2.349 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.887 -0.396 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.168 -1.481 3.478 1.00 0.00 H new ATOM 931 N TYR A 58 -4.148 -4.363 2.327 1.00 0.00 N ATOM 932 CA TYR A 58 -3.862 -5.616 2.973 1.00 0.00 C ATOM 933 C TYR A 58 -2.666 -5.504 3.926 1.00 0.00 C ATOM 934 O TYR A 58 -2.791 -5.716 5.130 1.00 0.00 O ATOM 935 CB TYR A 58 -3.591 -6.670 1.906 1.00 0.00 C ATOM 936 CG TYR A 58 -3.501 -8.082 2.433 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.642 -8.781 2.800 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.279 -8.715 2.558 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.561 -10.074 3.278 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.186 -10.003 3.034 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.330 -10.681 3.394 1.00 0.00 C ATOM 942 OH TYR A 58 -3.244 -11.971 3.874 1.00 0.00 O ATOM 0 H TYR A 58 -3.394 -4.018 1.734 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.725 -5.903 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.382 -6.624 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.658 -6.424 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.608 -8.307 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.379 -8.189 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.458 -10.606 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.221 -10.480 3.125 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.305 -12.251 3.892 1.00 0.00 H new ATOM 952 N LEU A 59 -1.514 -5.152 3.369 1.00 0.00 N ATOM 953 CA LEU A 59 -0.252 -5.139 4.114 1.00 0.00 C ATOM 954 C LEU A 59 -0.145 -4.021 5.156 1.00 0.00 C ATOM 955 O LEU A 59 0.559 -4.180 6.154 1.00 0.00 O ATOM 956 CB LEU A 59 0.949 -5.109 3.161 1.00 0.00 C ATOM 957 CG LEU A 59 1.224 -6.408 2.366 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.112 -7.629 3.253 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.315 -6.533 1.151 1.00 0.00 C ATOM 0 H LEU A 59 -1.423 -4.868 2.394 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.242 -6.071 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.801 -4.297 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.840 -4.867 3.740 1.00 0.00 H new ATOM 0 HG LEU A 59 2.249 -6.348 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.311 -8.525 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.838 -7.558 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.107 -7.684 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.541 -7.458 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.726 -6.545 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.478 -5.685 0.486 1.00 0.00 H new ATOM 971 N LYS A 60 -0.818 -2.894 4.931 1.00 0.00 N ATOM 972 CA LYS A 60 -0.775 -1.772 5.894 1.00 0.00 C ATOM 973 C LYS A 60 -1.283 -2.203 7.271 1.00 0.00 C ATOM 974 O LYS A 60 -0.932 -1.602 8.287 1.00 0.00 O ATOM 975 CB LYS A 60 -1.567 -0.559 5.393 1.00 0.00 C ATOM 976 CG LYS A 60 -0.714 0.584 4.819 1.00 0.00 C ATOM 977 CD LYS A 60 0.174 0.138 3.660 1.00 0.00 C ATOM 978 CE LYS A 60 -0.645 -0.374 2.476 1.00 0.00 C ATOM 979 NZ LYS A 60 -1.697 0.592 2.064 1.00 0.00 N ATOM 0 H LYS A 60 -1.394 -2.725 4.106 1.00 0.00 H new ATOM 0 HA LYS A 60 0.270 -1.476 5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.265 -0.892 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.163 -0.168 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.370 1.385 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.089 0.997 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.795 0.973 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.848 -0.648 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.019 -0.568 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.109 -1.324 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.126 0.278 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.430 0.642 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.273 1.532 1.933 1.00 0.00 H new ATOM 993 N PHE A 61 -2.124 -3.243 7.294 1.00 0.00 N ATOM 994 CA PHE A 61 -2.660 -3.788 8.547 1.00 0.00 C ATOM 995 C PHE A 61 -1.547 -4.225 9.500 1.00 0.00 C ATOM 996 O PHE A 61 -1.762 -4.328 10.711 1.00 0.00 O ATOM 997 CB PHE A 61 -3.595 -4.968 8.275 1.00 0.00 C ATOM 998 CG PHE A 61 -4.985 -4.567 7.884 1.00 0.00 C ATOM 999 CD1 PHE A 61 -5.391 -4.596 6.560 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.890 -4.160 8.850 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.673 -4.227 6.212 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -7.172 -3.790 8.505 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.564 -3.824 7.184 1.00 0.00 C ATOM 0 H PHE A 61 -2.449 -3.726 6.456 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.223 -2.986 9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.168 -5.581 7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.645 -5.592 9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.698 -4.910 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.587 -4.132 9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.980 -4.254 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.868 -3.474 9.268 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.568 -3.535 6.911 1.00 0.00 H new ATOM 1013 N LYS A 62 -0.358 -4.476 8.960 1.00 0.00 N ATOM 1014 CA LYS A 62 0.775 -4.878 9.778 1.00 0.00 C ATOM 1015 C LYS A 62 1.269 -3.707 10.621 1.00 0.00 C ATOM 1016 O LYS A 62 1.742 -3.888 11.739 1.00 0.00 O ATOM 1017 CB LYS A 62 1.907 -5.430 8.912 1.00 0.00 C ATOM 1018 CG LYS A 62 3.105 -5.917 9.715 1.00 0.00 C ATOM 1019 CD LYS A 62 4.202 -6.472 8.818 1.00 0.00 C ATOM 1020 CE LYS A 62 3.755 -7.730 8.086 1.00 0.00 C ATOM 1021 NZ LYS A 62 3.414 -8.834 9.021 1.00 0.00 N ATOM 0 H LYS A 62 -0.157 -4.408 7.962 1.00 0.00 H new ATOM 0 HA LYS A 62 0.443 -5.672 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.524 -6.254 8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.235 -4.655 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.503 -5.094 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.784 -6.688 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.495 -5.714 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.084 -6.695 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.888 -7.499 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.548 -8.058 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.577 -9.748 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.012 -8.768 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.414 -8.760 9.296 1.00 0.00 H new ATOM 1035 N GLU A 63 1.126 -2.502 10.088 1.00 0.00 N ATOM 1036 CA GLU A 63 1.536 -1.300 10.800 1.00 0.00 C ATOM 1037 C GLU A 63 0.435 -0.891 11.785 1.00 0.00 C ATOM 1038 O GLU A 63 0.573 0.068 12.545 1.00 0.00 O ATOM 1039 CB GLU A 63 1.820 -0.170 9.806 1.00 0.00 C ATOM 1040 CG GLU A 63 2.630 0.976 10.387 1.00 0.00 C ATOM 1041 CD GLU A 63 3.995 0.534 10.855 1.00 0.00 C ATOM 1042 OE1 GLU A 63 4.160 0.269 12.064 1.00 0.00 O ATOM 1043 OE2 GLU A 63 4.917 0.444 10.013 1.00 0.00 O ATOM 0 H GLU A 63 0.729 -2.331 9.164 1.00 0.00 H new ATOM 0 HA GLU A 63 2.451 -1.501 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.353 -0.580 8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.872 0.220 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.742 1.757 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.086 1.415 11.224 1.00 0.00 H new ATOM 1050 N LYS A 64 -0.667 -1.644 11.739 1.00 0.00 N ATOM 1051 CA LYS A 64 -1.821 -1.451 12.623 1.00 0.00 C ATOM 1052 C LYS A 64 -2.540 -0.126 12.384 1.00 0.00 C ATOM 1053 O LYS A 64 -3.343 0.305 13.209 1.00 0.00 O ATOM 1054 CB LYS A 64 -1.416 -1.586 14.097 1.00 0.00 C ATOM 1055 CG LYS A 64 -0.932 -2.976 14.471 1.00 0.00 C ATOM 1056 CD LYS A 64 -0.611 -3.076 15.951 1.00 0.00 C ATOM 1057 CE LYS A 64 -0.241 -4.497 16.339 1.00 0.00 C ATOM 1058 NZ LYS A 64 -1.349 -5.447 16.064 1.00 0.00 N ATOM 0 H LYS A 64 -0.785 -2.413 11.080 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.529 -2.243 12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.628 -0.865 14.316 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.269 -1.327 14.724 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.696 -3.710 14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.044 -3.222 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.212 -2.404 16.193 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.471 -2.749 16.535 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.648 -4.805 15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.013 -4.531 17.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.206 -6.317 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.254 -5.012 16.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.364 -5.679 15.050 1.00 0.00 H new ATOM 1072 N PHE A 65 -2.275 0.508 11.257 1.00 0.00 N ATOM 1073 CA PHE A 65 -2.958 1.746 10.931 1.00 0.00 C ATOM 1074 C PHE A 65 -4.094 1.489 9.963 1.00 0.00 C ATOM 1075 O PHE A 65 -3.869 1.220 8.772 1.00 0.00 O ATOM 1076 CB PHE A 65 -1.996 2.787 10.351 1.00 0.00 C ATOM 1077 CG PHE A 65 -1.117 3.444 11.377 1.00 0.00 C ATOM 1078 CD1 PHE A 65 0.256 3.309 11.322 1.00 0.00 C ATOM 1079 CD2 PHE A 65 -1.672 4.201 12.399 1.00 0.00 C ATOM 1080 CE1 PHE A 65 1.066 3.915 12.264 1.00 0.00 C ATOM 1081 CE2 PHE A 65 -0.868 4.810 13.343 1.00 0.00 C ATOM 1082 CZ PHE A 65 0.503 4.666 13.275 1.00 0.00 C ATOM 0 H PHE A 65 -1.601 0.192 10.560 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.366 2.147 11.859 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.366 2.307 9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.574 3.555 9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.703 2.722 10.533 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.744 4.315 12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.138 3.801 12.209 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.312 5.398 14.133 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.134 5.140 14.012 1.00 0.00 H new ATOM 1092 N GLU A 66 -5.308 1.581 10.473 1.00 0.00 N ATOM 1093 CA GLU A 66 -6.497 1.365 9.682 1.00 0.00 C ATOM 1094 C GLU A 66 -7.747 1.721 10.480 1.00 0.00 C ATOM 1095 O GLU A 66 -8.409 0.847 11.053 1.00 0.00 O ATOM 1096 CB GLU A 66 -6.574 -0.085 9.184 1.00 0.00 C ATOM 1097 CG GLU A 66 -7.753 -0.350 8.273 1.00 0.00 C ATOM 1098 CD GLU A 66 -7.820 0.627 7.127 1.00 0.00 C ATOM 1099 OE1 GLU A 66 -8.406 1.711 7.304 1.00 0.00 O ATOM 1100 OE2 GLU A 66 -7.296 0.313 6.046 1.00 0.00 O ATOM 0 H GLU A 66 -5.494 1.808 11.450 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.443 2.019 8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.653 -0.328 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.632 -0.753 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.685 -1.364 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.676 -0.293 8.850 1.00 0.00 H new ATOM 1107 N ALA A 67 -8.043 3.008 10.532 1.00 0.00 N ATOM 1108 CA ALA A 67 -9.213 3.520 11.225 1.00 0.00 C ATOM 1109 C ALA A 67 -9.365 5.013 10.952 1.00 0.00 C ATOM 1110 O ALA A 67 -9.858 5.406 9.895 1.00 0.00 O ATOM 1111 CB ALA A 67 -9.126 3.245 12.727 1.00 0.00 C ATOM 0 H ALA A 67 -7.475 3.732 10.092 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.095 3.003 10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.014 3.639 13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.062 2.170 12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.239 3.730 13.135 1.00 0.00 H new ATOM 1117 N GLY A 68 -8.927 5.835 11.899 1.00 0.00 N ATOM 1118 CA GLY A 68 -8.961 7.283 11.736 1.00 0.00 C ATOM 1119 C GLY A 68 -10.353 7.899 11.841 1.00 0.00 C ATOM 1120 O GLY A 68 -10.502 9.014 12.341 1.00 0.00 O ATOM 0 H GLY A 68 -8.543 5.522 12.790 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.319 7.736 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.538 7.537 10.764 1.00 0.00 H new ATOM 1124 N GLN A 69 -11.376 7.185 11.398 1.00 0.00 N ATOM 1125 CA GLN A 69 -12.723 7.720 11.431 1.00 0.00 C ATOM 1126 C GLN A 69 -13.557 7.075 12.525 1.00 0.00 C ATOM 1127 O GLN A 69 -14.356 6.168 12.272 1.00 0.00 O ATOM 1128 CB GLN A 69 -13.409 7.586 10.068 1.00 0.00 C ATOM 1129 CG GLN A 69 -14.734 8.329 9.979 1.00 0.00 C ATOM 1130 CD GLN A 69 -14.597 9.798 10.340 1.00 0.00 C ATOM 1131 OE1 GLN A 69 -13.547 10.407 10.128 1.00 0.00 O ATOM 1132 NE2 GLN A 69 -15.643 10.372 10.889 1.00 0.00 N ATOM 0 H GLN A 69 -11.299 6.243 11.015 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.641 8.782 11.663 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.739 7.961 9.295 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.579 6.530 9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.130 8.241 8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.457 7.859 10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.495 9.834 11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.603 11.356 11.156 1.00 0.00 H new ATOM 1141 N PHE A 70 -13.330 7.529 13.742 1.00 0.00 N ATOM 1142 CA PHE A 70 -14.064 7.074 14.911 1.00 0.00 C ATOM 1143 C PHE A 70 -14.147 8.207 15.910 1.00 0.00 C ATOM 1144 O PHE A 70 -13.199 8.985 16.047 1.00 0.00 O ATOM 1145 CB PHE A 70 -13.382 5.859 15.569 1.00 0.00 C ATOM 1146 CG PHE A 70 -13.549 4.563 14.820 1.00 0.00 C ATOM 1147 CD1 PHE A 70 -12.560 4.106 13.964 1.00 0.00 C ATOM 1148 CD2 PHE A 70 -14.696 3.802 14.978 1.00 0.00 C ATOM 1149 CE1 PHE A 70 -12.714 2.915 13.278 1.00 0.00 C ATOM 1150 CE2 PHE A 70 -14.855 2.610 14.296 1.00 0.00 C ATOM 1151 CZ PHE A 70 -13.862 2.167 13.444 1.00 0.00 C ATOM 0 H PHE A 70 -12.622 8.233 13.951 1.00 0.00 H new ATOM 0 HA PHE A 70 -15.061 6.768 14.595 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -12.317 6.069 15.673 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -13.782 5.736 16.575 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -11.659 4.686 13.831 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -15.476 4.144 15.642 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -11.936 2.570 12.613 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -15.754 2.026 14.429 1.00 0.00 H new ATOM 0 HZ PHE A 70 -13.984 1.237 12.909 1.00 0.00 H new ATOM 1161 N GLU A 71 -15.271 8.328 16.580 1.00 0.00 N ATOM 1162 CA GLU A 71 -15.434 9.350 17.597 1.00 0.00 C ATOM 1163 C GLU A 71 -14.952 8.810 18.928 1.00 0.00 C ATOM 1164 O GLU A 71 -15.550 7.875 19.472 1.00 0.00 O ATOM 1165 CB GLU A 71 -16.900 9.796 17.706 1.00 0.00 C ATOM 1166 CG GLU A 71 -17.382 10.703 16.574 1.00 0.00 C ATOM 1167 CD GLU A 71 -17.250 10.076 15.203 1.00 0.00 C ATOM 1168 OE1 GLU A 71 -17.990 9.113 14.907 1.00 0.00 O ATOM 1169 OE2 GLU A 71 -16.415 10.552 14.404 1.00 0.00 O ATOM 0 H GLU A 71 -16.088 7.733 16.441 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.842 10.221 17.316 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.533 8.909 17.736 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -17.037 10.318 18.653 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.426 10.964 16.747 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.813 11.633 16.596 1.00 0.00 H new ATOM 1176 N PRO A 72 -13.848 9.369 19.464 1.00 0.00 N ATOM 1177 CA PRO A 72 -13.269 8.917 20.728 1.00 0.00 C ATOM 1178 C PRO A 72 -14.265 8.966 21.858 1.00 0.00 C ATOM 1179 O PRO A 72 -14.567 10.024 22.412 1.00 0.00 O ATOM 1180 CB PRO A 72 -12.105 9.880 20.976 1.00 0.00 C ATOM 1181 CG PRO A 72 -11.780 10.430 19.632 1.00 0.00 C ATOM 1182 CD PRO A 72 -13.079 10.482 18.880 1.00 0.00 C ATOM 0 HA PRO A 72 -12.951 7.876 20.677 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.386 10.671 21.671 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.249 9.364 21.411 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.337 11.422 19.713 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.056 9.799 19.117 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.586 11.437 19.016 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.930 10.350 17.808 1.00 0.00 H new ATOM 1190 N SER A 73 -14.777 7.811 22.176 1.00 0.00 N ATOM 1191 CA SER A 73 -15.756 7.655 23.205 1.00 0.00 C ATOM 1192 C SER A 73 -15.087 7.293 24.514 1.00 0.00 C ATOM 1193 O SER A 73 -15.648 7.476 25.585 1.00 0.00 O ATOM 1194 CB SER A 73 -16.726 6.573 22.785 1.00 0.00 C ATOM 1195 OG SER A 73 -17.464 6.969 21.633 1.00 0.00 O ATOM 0 H SER A 73 -14.519 6.938 21.717 1.00 0.00 H new ATOM 0 HA SER A 73 -16.294 8.591 23.353 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.181 5.653 22.574 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.412 6.356 23.604 1.00 0.00 H new ATOM 0 HG SER A 73 -16.843 7.203 20.912 1.00 0.00 H new ATOM 1201 N GLU A 74 -13.884 6.798 24.411 1.00 0.00 N ATOM 1202 CA GLU A 74 -13.122 6.400 25.566 1.00 0.00 C ATOM 1203 C GLU A 74 -11.831 7.196 25.636 1.00 0.00 C ATOM 1204 O GLU A 74 -10.803 6.790 25.095 1.00 0.00 O ATOM 1205 CB GLU A 74 -12.826 4.904 25.513 1.00 0.00 C ATOM 1206 CG GLU A 74 -12.068 4.379 26.716 1.00 0.00 C ATOM 1207 CD GLU A 74 -11.734 2.920 26.580 1.00 0.00 C ATOM 1208 OE1 GLU A 74 -10.705 2.595 25.937 1.00 0.00 O ATOM 1209 OE2 GLU A 74 -12.494 2.083 27.098 1.00 0.00 O ATOM 0 H GLU A 74 -13.402 6.658 23.523 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.706 6.604 26.463 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.767 4.361 25.425 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.250 4.690 24.613 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.149 4.951 26.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.665 4.532 27.615 1.00 0.00 H new ATOM 1216 N THR A 75 -11.902 8.354 26.247 1.00 0.00 N ATOM 1217 CA THR A 75 -10.746 9.210 26.408 1.00 0.00 C ATOM 1218 C THR A 75 -10.955 10.142 27.594 1.00 0.00 C ATOM 1219 O THR A 75 -11.757 11.067 27.528 1.00 0.00 O ATOM 1220 CB THR A 75 -10.473 10.049 25.130 1.00 0.00 C ATOM 1221 OG1 THR A 75 -10.363 9.181 23.989 1.00 0.00 O ATOM 1222 CG2 THR A 75 -9.183 10.840 25.276 1.00 0.00 C ATOM 0 H THR A 75 -12.761 8.731 26.647 1.00 0.00 H new ATOM 0 HA THR A 75 -9.881 8.571 26.585 1.00 0.00 H new ATOM 0 HB THR A 75 -11.304 10.741 24.991 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.123 8.279 24.286 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.008 11.422 24.371 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.263 11.513 26.130 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.351 10.153 25.432 1.00 0.00 H new ATOM 1230 N THR A 76 -10.256 9.877 28.679 1.00 0.00 N ATOM 1231 CA THR A 76 -10.381 10.692 29.866 1.00 0.00 C ATOM 1232 C THR A 76 -9.254 11.728 29.932 1.00 0.00 C ATOM 1233 O THR A 76 -9.326 12.694 30.688 1.00 0.00 O ATOM 1234 CB THR A 76 -10.404 9.825 31.155 1.00 0.00 C ATOM 1235 OG1 THR A 76 -10.666 10.643 32.300 1.00 0.00 O ATOM 1236 CG2 THR A 76 -9.087 9.088 31.348 1.00 0.00 C ATOM 0 H THR A 76 -9.596 9.104 28.761 1.00 0.00 H new ATOM 0 HA THR A 76 -11.334 11.218 29.805 1.00 0.00 H new ATOM 0 HB THR A 76 -11.200 9.089 31.044 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.468 11.579 32.086 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.135 8.490 32.258 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.907 8.435 30.494 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.275 9.810 31.430 1.00 0.00 H new ATOM 1244 N ALA A 77 -8.211 11.519 29.134 1.00 0.00 N ATOM 1245 CA ALA A 77 -7.102 12.454 29.076 1.00 0.00 C ATOM 1246 C ALA A 77 -7.498 13.678 28.264 1.00 0.00 C ATOM 1247 O ALA A 77 -7.479 14.801 28.769 1.00 0.00 O ATOM 1248 CB ALA A 77 -5.872 11.786 28.475 1.00 0.00 C ATOM 0 H ALA A 77 -8.114 10.710 28.521 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.855 12.771 30.089 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.050 12.501 28.439 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.584 10.933 29.090 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.100 11.445 27.465 1.00 0.00 H new ATOM 1254 N LYS A 78 -7.859 13.441 26.997 1.00 0.00 N ATOM 1255 CA LYS A 78 -8.315 14.499 26.082 1.00 0.00 C ATOM 1256 C LYS A 78 -7.266 15.600 25.929 1.00 0.00 C ATOM 1257 O LYS A 78 -7.596 16.761 25.698 1.00 0.00 O ATOM 1258 CB LYS A 78 -9.650 15.086 26.567 1.00 0.00 C ATOM 1259 CG LYS A 78 -10.785 14.071 26.600 1.00 0.00 C ATOM 1260 CD LYS A 78 -12.072 14.666 27.159 1.00 0.00 C ATOM 1261 CE LYS A 78 -12.601 15.790 26.280 1.00 0.00 C ATOM 1262 NZ LYS A 78 -13.895 16.319 26.779 1.00 0.00 N ATOM 0 H LYS A 78 -7.844 12.512 26.576 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.465 14.050 25.100 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.514 15.499 27.566 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.932 15.913 25.915 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.967 13.698 25.592 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.488 13.216 27.207 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.827 13.885 27.244 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.891 15.045 28.165 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.869 16.597 26.242 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.726 15.425 25.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.222 17.083 26.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.601 15.555 26.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.770 16.690 27.742 1.00 0.00 H new ATOM 1276 N SER A 79 -6.009 15.220 26.034 1.00 0.00 N ATOM 1277 CA SER A 79 -4.914 16.157 25.923 1.00 0.00 C ATOM 1278 C SER A 79 -4.332 16.121 24.511 1.00 0.00 C ATOM 1279 O SER A 79 -3.591 15.165 24.196 1.00 0.00 O ATOM 1280 CB SER A 79 -3.837 15.817 26.952 1.00 0.00 C ATOM 1281 OG SER A 79 -4.409 15.634 28.242 1.00 0.00 O ATOM 1282 OXT SER A 79 -4.634 17.036 23.716 1.00 0.00 O ATOM 0 H SER A 79 -5.720 14.256 26.198 1.00 0.00 H new ATOM 0 HA SER A 79 -5.284 17.164 26.119 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.313 14.910 26.650 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.097 16.616 26.988 1.00 0.00 H new ATOM 0 HG SER A 79 -3.703 15.415 28.885 1.00 0.00 H new TER 1288 SER A 79