USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl -158:sc= -1.93 (180deg=-4.53!) USER MOD Set 1.2: A 97 TYR OH : rot -72:sc= 0.852 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 HIS : no HD1:sc= -1.56 K(o=-1.5,f=-7!) USER MOD Set 3.2: A 28 ASN : amide:sc= 0.0905 K(o=-1.5,f=-6.1!) USER MOD Set 4.1: A 24 SER OG : rot -72:sc= 0.0797 USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0.0819 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.861 X(o=-0.86,f=-1.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.05) USER MOD Single : A 35 TYR OH : rot -70:sc= -2.63! USER MOD Single : A 36 THR OG1 : rot 34:sc= 0.624 USER MOD Single : A 38 MET CE :methyl 153:sc= -0.108 (180deg=-0.809) USER MOD Single : A 41 TYR OH : rot -155:sc= 0.221 USER MOD Single : A 43 SER OG : rot -117:sc= 1.48 USER MOD Single : A 44 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.952 K(o=-0.95,f=-4.2!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 52 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.3) USER MOD Single : A 53 MET CE :methyl -133:sc= -2.05 (180deg=-6.04!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= -0.0489 USER MOD Single : A 61 HIS :FLIP no HE2:sc= 0.13 F(o=-0.9,f=0.13) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.248 F(o=-1.5,f=-0.25) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -139:sc= -0.85 USER MOD Single : A 72 GLN : amide:sc= -2.15 X(o=-2.2,f=-1.8) USER MOD Single : A 75 SER OG : rot 170:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -137:sc= 0.565 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc=-0.00555 (180deg=-0.21) USER MOD Single : A 111 LYS NZ :NH3+ -120:sc= -0.8 (180deg=-2.79!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -33:sc= 0.744 USER MOD Single : A 124 HIS : no HD1:sc= 0.357 K(o=0.36,f=-1.9!) USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= -0.726 (180deg=-2.09!) USER MOD Single : A 134 SER OG : rot 180:sc= -2.35 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.288 -3.947 8.197 1.00 0.00 N ATOM 107 CA PRO A 9 3.102 -4.245 7.328 1.00 0.00 C ATOM 108 C PRO A 9 2.458 -5.582 7.677 1.00 0.00 C ATOM 109 O PRO A 9 3.122 -6.491 8.185 1.00 0.00 O ATOM 110 CB PRO A 9 3.683 -4.270 5.913 1.00 0.00 C ATOM 111 CG PRO A 9 5.112 -4.655 6.094 1.00 0.00 C ATOM 112 CD PRO A 9 5.554 -4.019 7.407 1.00 0.00 C ATOM 0 HA PRO A 9 2.309 -3.508 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.157 -4.987 5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.594 -3.296 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.223 -5.739 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.721 -4.298 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.309 -4.621 7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.987 -3.031 7.250 1.00 0.00 H new ATOM 120 N THR A 10 1.154 -5.680 7.419 1.00 0.00 N ATOM 121 CA THR A 10 0.386 -6.888 7.721 1.00 0.00 C ATOM 122 C THR A 10 -0.320 -7.397 6.460 1.00 0.00 C ATOM 123 O THR A 10 -0.912 -6.612 5.715 1.00 0.00 O ATOM 124 CB THR A 10 -0.642 -6.582 8.832 1.00 0.00 C ATOM 125 OG1 THR A 10 0.043 -6.099 9.980 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.419 -7.855 9.211 1.00 0.00 C ATOM 0 H THR A 10 0.604 -4.931 6.998 1.00 0.00 H new ATOM 0 HA THR A 10 1.064 -7.667 8.070 1.00 0.00 H new ATOM 0 HB THR A 10 -1.344 -5.833 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.605 -5.901 10.688 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.139 -7.622 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.946 -8.234 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.723 -8.612 9.571 1.00 0.00 H new ATOM 134 N THR A 11 -0.245 -8.717 6.229 1.00 0.00 N ATOM 135 CA THR A 11 -0.885 -9.331 5.061 1.00 0.00 C ATOM 136 C THR A 11 -2.099 -10.158 5.460 1.00 0.00 C ATOM 137 O THR A 11 -2.063 -10.898 6.448 1.00 0.00 O ATOM 138 CB THR A 11 0.114 -10.215 4.298 1.00 0.00 C ATOM 139 OG1 THR A 11 0.802 -11.054 5.214 1.00 0.00 O ATOM 140 CG2 THR A 11 1.118 -9.352 3.519 1.00 0.00 C ATOM 0 H THR A 11 0.250 -9.374 6.833 1.00 0.00 H new ATOM 0 HA THR A 11 -1.219 -8.522 4.411 1.00 0.00 H new ATOM 0 HB THR A 11 -0.435 -10.829 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.438 -11.619 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.816 -9.998 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.583 -8.727 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.669 -8.718 4.214 1.00 0.00 H new ATOM 148 N VAL A 12 -3.174 -10.027 4.673 1.00 0.00 N ATOM 149 CA VAL A 12 -4.417 -10.764 4.925 1.00 0.00 C ATOM 150 C VAL A 12 -4.912 -11.443 3.634 1.00 0.00 C ATOM 151 O VAL A 12 -5.011 -10.802 2.587 1.00 0.00 O ATOM 152 CB VAL A 12 -5.505 -9.806 5.493 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.809 -10.577 5.776 1.00 0.00 C ATOM 154 CG2 VAL A 12 -5.008 -9.175 6.803 1.00 0.00 C ATOM 0 H VAL A 12 -3.207 -9.417 3.856 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.219 -11.540 5.664 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.699 -9.029 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.558 -9.892 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.177 -11.021 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.615 -11.364 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.772 -8.505 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.804 -9.960 7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.095 -8.611 6.612 1.00 0.00 H new ATOM 164 N ALA A 13 -5.242 -12.735 3.735 1.00 0.00 N ATOM 165 CA ALA A 13 -5.758 -13.495 2.591 1.00 0.00 C ATOM 166 C ALA A 13 -7.281 -13.596 2.667 1.00 0.00 C ATOM 167 O ALA A 13 -7.846 -13.651 3.765 1.00 0.00 O ATOM 168 CB ALA A 13 -5.144 -14.896 2.566 1.00 0.00 C ATOM 0 H ALA A 13 -5.161 -13.276 4.596 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.484 -12.972 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.535 -15.450 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.060 -14.817 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.399 -15.421 3.487 1.00 0.00 H new ATOM 174 N PHE A 14 -7.946 -13.612 1.496 1.00 0.00 N ATOM 175 CA PHE A 14 -9.411 -13.697 1.455 1.00 0.00 C ATOM 176 C PHE A 14 -9.897 -14.473 0.223 1.00 0.00 C ATOM 177 O PHE A 14 -9.159 -14.630 -0.754 1.00 0.00 O ATOM 178 CB PHE A 14 -10.035 -12.280 1.505 1.00 0.00 C ATOM 179 CG PHE A 14 -9.710 -11.494 0.242 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.619 -11.483 -0.822 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.506 -10.787 0.140 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.328 -10.763 -1.986 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.216 -10.069 -1.027 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.126 -10.057 -2.089 1.00 0.00 C ATOM 0 H PHE A 14 -7.497 -13.568 0.581 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.741 -14.250 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.116 -12.359 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.660 -11.744 2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.546 -12.031 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.802 -10.795 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.032 -10.753 -2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.287 -9.523 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.900 -9.503 -2.988 1.00 0.00 H new ATOM 194 N ASP A 15 -11.143 -14.955 0.291 1.00 0.00 N ATOM 195 CA ASP A 15 -11.738 -15.722 -0.803 1.00 0.00 C ATOM 196 C ASP A 15 -12.694 -14.864 -1.619 1.00 0.00 C ATOM 197 O ASP A 15 -13.629 -14.274 -1.066 1.00 0.00 O ATOM 198 CB ASP A 15 -12.507 -16.924 -0.243 1.00 0.00 C ATOM 199 CG ASP A 15 -11.567 -17.828 0.549 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.500 -18.126 0.042 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.930 -18.206 1.650 1.00 0.00 O ATOM 0 H ASP A 15 -11.758 -14.826 1.095 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.929 -16.062 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.318 -16.579 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.962 -17.486 -1.059 1.00 0.00 H new ATOM 206 N VAL A 16 -12.511 -14.872 -2.950 1.00 0.00 N ATOM 207 CA VAL A 16 -13.430 -14.170 -3.843 1.00 0.00 C ATOM 208 C VAL A 16 -14.472 -15.151 -4.351 1.00 0.00 C ATOM 209 O VAL A 16 -14.155 -16.060 -5.116 1.00 0.00 O ATOM 210 CB VAL A 16 -12.682 -13.499 -5.019 1.00 0.00 C ATOM 211 CG1 VAL A 16 -11.714 -12.447 -4.473 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.897 -14.543 -5.836 1.00 0.00 C ATOM 0 H VAL A 16 -11.744 -15.352 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.921 -13.372 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.415 -13.027 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.186 -11.974 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.272 -11.692 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.993 -12.925 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.379 -14.048 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.168 -15.036 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.587 -15.285 -6.237 1.00 0.00 H new ATOM 222 N ARG A 17 -15.701 -15.006 -3.858 1.00 0.00 N ATOM 223 CA ARG A 17 -16.780 -15.928 -4.203 1.00 0.00 C ATOM 224 C ARG A 17 -17.744 -15.305 -5.248 1.00 0.00 C ATOM 225 O ARG A 17 -18.449 -14.343 -4.934 1.00 0.00 O ATOM 226 CB ARG A 17 -17.536 -16.328 -2.931 1.00 0.00 C ATOM 227 CG ARG A 17 -16.585 -17.127 -2.017 1.00 0.00 C ATOM 228 CD ARG A 17 -17.201 -17.295 -0.626 1.00 0.00 C ATOM 229 NE ARG A 17 -18.488 -18.018 -0.707 1.00 0.00 N ATOM 230 CZ ARG A 17 -19.703 -17.416 -0.566 1.00 0.00 C ATOM 231 NH1 ARG A 17 -19.816 -16.114 -0.362 1.00 0.00 N ATOM 232 NH2 ARG A 17 -20.783 -18.144 -0.638 1.00 0.00 N ATOM 0 H ARG A 17 -15.973 -14.259 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.346 -16.819 -4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.899 -15.440 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.409 -16.929 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.386 -18.105 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.627 -16.612 -1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.512 -17.841 0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.356 -16.317 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.466 -19.023 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.980 -15.532 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.739 -15.692 -0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.711 -19.149 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.699 -17.708 -0.535 1.00 0.00 H new ATOM 246 N PRO A 18 -17.772 -15.821 -6.509 1.00 0.00 N ATOM 247 CA PRO A 18 -18.647 -15.261 -7.586 1.00 0.00 C ATOM 248 C PRO A 18 -20.104 -15.682 -7.433 1.00 0.00 C ATOM 249 O PRO A 18 -20.439 -16.502 -6.574 1.00 0.00 O ATOM 250 CB PRO A 18 -18.054 -15.846 -8.858 1.00 0.00 C ATOM 251 CG PRO A 18 -17.532 -17.174 -8.445 1.00 0.00 C ATOM 252 CD PRO A 18 -16.982 -16.982 -7.037 1.00 0.00 C ATOM 0 HA PRO A 18 -18.667 -14.171 -7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.807 -15.941 -9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.260 -15.213 -9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.321 -17.926 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.753 -17.517 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.122 -17.874 -6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.913 -16.768 -7.049 1.00 0.00 H new ATOM 260 N GLY A 19 -20.964 -15.111 -8.282 1.00 0.00 N ATOM 261 CA GLY A 19 -22.400 -15.418 -8.262 1.00 0.00 C ATOM 262 C GLY A 19 -23.271 -14.165 -8.472 1.00 0.00 C ATOM 263 O GLY A 19 -24.480 -14.200 -8.218 1.00 0.00 O ATOM 0 H GLY A 19 -20.691 -14.433 -8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.624 -16.147 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.657 -15.880 -7.309 1.00 0.00 H new ATOM 267 N GLY A 20 -22.651 -13.062 -8.933 1.00 0.00 N ATOM 268 CA GLY A 20 -23.378 -11.812 -9.168 1.00 0.00 C ATOM 269 C GLY A 20 -23.804 -11.155 -7.853 1.00 0.00 C ATOM 270 O GLY A 20 -24.797 -10.423 -7.811 1.00 0.00 O ATOM 0 H GLY A 20 -21.655 -13.016 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.748 -11.124 -9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.259 -12.011 -9.778 1.00 0.00 H new ATOM 274 N VAL A 21 -23.050 -11.430 -6.780 1.00 0.00 N ATOM 275 CA VAL A 21 -23.346 -10.878 -5.459 1.00 0.00 C ATOM 276 C VAL A 21 -22.259 -9.890 -5.066 1.00 0.00 C ATOM 277 O VAL A 21 -21.065 -10.209 -5.128 1.00 0.00 O ATOM 278 CB VAL A 21 -23.447 -12.019 -4.407 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.778 -11.445 -3.015 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.543 -13.013 -4.815 1.00 0.00 C ATOM 0 H VAL A 21 -22.229 -12.034 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.304 -10.359 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.485 -12.529 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.845 -12.258 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.993 -10.753 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.731 -10.917 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.607 -13.809 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.500 -12.495 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.301 -13.442 -5.787 1.00 0.00 H new ATOM 290 N VAL A 22 -22.682 -8.693 -4.665 1.00 0.00 N ATOM 291 CA VAL A 22 -21.747 -7.651 -4.261 1.00 0.00 C ATOM 292 C VAL A 22 -21.169 -7.998 -2.897 1.00 0.00 C ATOM 293 O VAL A 22 -21.905 -8.125 -1.912 1.00 0.00 O ATOM 294 CB VAL A 22 -22.461 -6.270 -4.219 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.477 -5.163 -3.794 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.022 -5.934 -5.610 1.00 0.00 C ATOM 0 H VAL A 22 -23.664 -8.423 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.937 -7.589 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.272 -6.324 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.996 -4.205 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.084 -5.387 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.655 -5.113 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.522 -4.966 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.206 -5.897 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.737 -6.701 -5.909 1.00 0.00 H new ATOM 306 N HIS A 23 -19.849 -8.158 -2.854 1.00 0.00 N ATOM 307 CA HIS A 23 -19.149 -8.500 -1.616 1.00 0.00 C ATOM 308 C HIS A 23 -18.252 -7.363 -1.185 1.00 0.00 C ATOM 309 O HIS A 23 -17.568 -6.752 -2.010 1.00 0.00 O ATOM 310 CB HIS A 23 -18.306 -9.768 -1.799 1.00 0.00 C ATOM 311 CG HIS A 23 -19.196 -10.938 -2.140 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.064 -11.503 -1.218 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.360 -11.657 -3.297 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.705 -12.516 -1.832 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.312 -12.652 -3.101 1.00 0.00 N ATOM 0 H HIS A 23 -19.239 -8.056 -3.665 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.900 -8.680 -0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.573 -9.616 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.749 -9.979 -0.886 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.193 -11.206 -0.251 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.830 -11.477 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.446 -13.142 -1.356 1.00 0.00 H new ATOM 323 N SER A 24 -18.254 -7.089 0.117 1.00 0.00 N ATOM 324 CA SER A 24 -17.430 -6.025 0.682 1.00 0.00 C ATOM 325 C SER A 24 -16.410 -6.588 1.660 1.00 0.00 C ATOM 326 O SER A 24 -16.763 -7.307 2.600 1.00 0.00 O ATOM 327 CB SER A 24 -18.312 -4.997 1.391 1.00 0.00 C ATOM 328 OG SER A 24 -19.185 -4.393 0.444 1.00 0.00 O ATOM 0 H SER A 24 -18.819 -7.591 0.802 1.00 0.00 H new ATOM 0 HA SER A 24 -16.895 -5.541 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.890 -5.479 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.693 -4.237 1.868 1.00 0.00 H new ATOM 0 HG SER A 24 -18.674 -3.786 -0.131 1.00 0.00 H new ATOM 334 N PHE A 25 -15.148 -6.228 1.445 1.00 0.00 N ATOM 335 CA PHE A 25 -14.051 -6.657 2.313 1.00 0.00 C ATOM 336 C PHE A 25 -13.269 -5.448 2.790 1.00 0.00 C ATOM 337 O PHE A 25 -13.102 -4.481 2.042 1.00 0.00 O ATOM 338 CB PHE A 25 -13.117 -7.620 1.564 1.00 0.00 C ATOM 339 CG PHE A 25 -13.870 -8.880 1.206 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.500 -8.990 -0.038 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.935 -9.939 2.120 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.196 -10.158 -0.368 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.630 -11.107 1.791 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.262 -11.216 0.546 1.00 0.00 C ATOM 0 H PHE A 25 -14.856 -5.634 0.669 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.471 -7.178 3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.735 -7.144 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.255 -7.863 2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.449 -8.174 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.448 -9.854 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.683 -10.243 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.679 -11.924 2.496 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.801 -12.117 0.291 1.00 0.00 H new ATOM 354 N SER A 26 -12.815 -5.489 4.045 1.00 0.00 N ATOM 355 CA SER A 26 -12.076 -4.367 4.622 1.00 0.00 C ATOM 356 C SER A 26 -11.146 -4.825 5.733 1.00 0.00 C ATOM 357 O SER A 26 -11.285 -5.936 6.256 1.00 0.00 O ATOM 358 CB SER A 26 -13.049 -3.317 5.155 1.00 0.00 C ATOM 359 OG SER A 26 -13.773 -3.860 6.252 1.00 0.00 O ATOM 0 H SER A 26 -12.945 -6.280 4.675 1.00 0.00 H new ATOM 0 HA SER A 26 -11.465 -3.928 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.505 -2.426 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.737 -3.009 4.367 1.00 0.00 H new ATOM 0 HG SER A 26 -14.397 -3.188 6.597 1.00 0.00 H new ATOM 365 N HIS A 27 -10.200 -3.952 6.094 1.00 0.00 N ATOM 366 CA HIS A 27 -9.241 -4.251 7.155 1.00 0.00 C ATOM 367 C HIS A 27 -8.844 -2.979 7.899 1.00 0.00 C ATOM 368 O HIS A 27 -8.622 -1.927 7.286 1.00 0.00 O ATOM 369 CB HIS A 27 -7.990 -4.933 6.569 1.00 0.00 C ATOM 370 CG HIS A 27 -7.102 -5.478 7.683 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.736 -5.650 7.511 1.00 0.00 N ATOM 372 CD2 HIS A 27 -7.370 -5.907 8.970 1.00 0.00 C ATOM 373 CE1 HIS A 27 -5.241 -6.160 8.657 1.00 0.00 C ATOM 374 NE2 HIS A 27 -6.194 -6.336 9.576 1.00 0.00 N ATOM 0 H HIS A 27 -10.080 -3.034 5.666 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.716 -4.931 7.862 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.289 -5.744 5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.429 -4.219 5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.345 -5.909 9.434 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.199 -6.398 8.813 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.083 -6.706 10.520 1.00 0.00 H new ATOM 382 N ASN A 28 -8.787 -3.085 9.228 1.00 0.00 N ATOM 383 CA ASN A 28 -8.447 -1.957 10.092 1.00 0.00 C ATOM 384 C ASN A 28 -6.972 -1.982 10.500 1.00 0.00 C ATOM 385 O ASN A 28 -6.282 -2.988 10.317 1.00 0.00 O ATOM 386 CB ASN A 28 -9.341 -1.959 11.345 1.00 0.00 C ATOM 387 CG ASN A 28 -9.041 -3.175 12.239 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.468 -4.171 11.783 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.398 -3.148 13.494 1.00 0.00 N ATOM 0 H ASN A 28 -8.975 -3.952 9.732 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.621 -1.042 9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.182 -1.041 11.910 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.389 -1.973 11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.204 -3.948 14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.871 -2.327 13.872 1.00 0.00 H new ATOM 396 N VAL A 29 -6.512 -0.868 11.075 1.00 0.00 N ATOM 397 CA VAL A 29 -5.128 -0.738 11.546 1.00 0.00 C ATOM 398 C VAL A 29 -5.138 -0.450 13.056 1.00 0.00 C ATOM 399 O VAL A 29 -5.913 0.386 13.526 1.00 0.00 O ATOM 400 CB VAL A 29 -4.402 0.397 10.772 1.00 0.00 C ATOM 401 CG1 VAL A 29 -2.952 0.550 11.272 1.00 0.00 C ATOM 402 CG2 VAL A 29 -4.387 0.065 9.270 1.00 0.00 C ATOM 0 H VAL A 29 -7.082 -0.036 11.227 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.588 -1.667 11.363 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.936 1.332 10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.459 1.349 10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.957 0.794 12.334 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.413 -0.385 11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.878 0.861 8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.862 -0.877 9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.411 -0.025 8.907 1.00 0.00 H new ATOM 412 N GLY A 30 -4.325 -1.205 13.816 1.00 0.00 N ATOM 413 CA GLY A 30 -4.302 -1.081 15.284 1.00 0.00 C ATOM 414 C GLY A 30 -4.289 0.399 15.738 1.00 0.00 C ATOM 415 O GLY A 30 -5.313 0.893 16.226 1.00 0.00 O ATOM 0 H GLY A 30 -3.681 -1.902 13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.174 -1.582 15.704 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.422 -1.589 15.678 1.00 0.00 H new ATOM 419 N PRO A 31 -3.173 1.139 15.559 1.00 0.00 N ATOM 420 CA PRO A 31 -3.116 2.594 15.938 1.00 0.00 C ATOM 421 C PRO A 31 -4.202 3.403 15.219 1.00 0.00 C ATOM 422 O PRO A 31 -4.907 4.203 15.838 1.00 0.00 O ATOM 423 CB PRO A 31 -1.722 3.029 15.467 1.00 0.00 C ATOM 424 CG PRO A 31 -0.918 1.772 15.454 1.00 0.00 C ATOM 425 CD PRO A 31 -1.874 0.681 15.001 1.00 0.00 C ATOM 0 HA PRO A 31 -3.284 2.755 17.003 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.762 3.484 14.477 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.289 3.769 16.140 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.069 1.856 14.775 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.515 1.554 16.443 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.907 0.595 13.915 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.588 -0.296 15.389 1.00 0.00 H new ATOM 433 N GLY A 32 -4.344 3.152 13.911 1.00 0.00 N ATOM 434 CA GLY A 32 -5.365 3.813 13.094 1.00 0.00 C ATOM 435 C GLY A 32 -6.633 2.971 13.020 1.00 0.00 C ATOM 436 O GLY A 32 -7.069 2.596 11.926 1.00 0.00 O ATOM 0 H GLY A 32 -3.761 2.493 13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.597 4.791 13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.978 3.984 12.089 1.00 0.00 H new ATOM 440 N ASP A 33 -7.200 2.639 14.186 1.00 0.00 N ATOM 441 CA ASP A 33 -8.396 1.787 14.240 1.00 0.00 C ATOM 442 C ASP A 33 -9.561 2.415 13.489 1.00 0.00 C ATOM 443 O ASP A 33 -10.326 1.709 12.820 1.00 0.00 O ATOM 444 CB ASP A 33 -8.791 1.538 15.696 1.00 0.00 C ATOM 445 CG ASP A 33 -9.080 2.858 16.450 1.00 0.00 C ATOM 446 OD1 ASP A 33 -8.653 3.912 15.988 1.00 0.00 O ATOM 447 OD2 ASP A 33 -9.727 2.790 17.483 1.00 0.00 O ATOM 0 H ASP A 33 -6.855 2.943 15.096 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.156 0.839 13.758 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.675 0.901 15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.990 0.999 16.202 1.00 0.00 H new ATOM 452 N LYS A 34 -9.656 3.741 13.554 1.00 0.00 N ATOM 453 CA LYS A 34 -10.676 4.475 12.837 1.00 0.00 C ATOM 454 C LYS A 34 -10.465 4.317 11.327 1.00 0.00 C ATOM 455 O LYS A 34 -11.425 4.250 10.555 1.00 0.00 O ATOM 456 CB LYS A 34 -10.594 5.957 13.225 1.00 0.00 C ATOM 457 CG LYS A 34 -11.928 6.660 12.950 1.00 0.00 C ATOM 458 CD LYS A 34 -12.969 6.219 14.007 1.00 0.00 C ATOM 459 CE LYS A 34 -14.045 7.282 14.147 1.00 0.00 C ATOM 460 NZ LYS A 34 -14.822 7.381 12.879 1.00 0.00 N ATOM 0 H LYS A 34 -9.028 4.327 14.104 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.660 4.085 13.097 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.339 6.049 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.797 6.443 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.795 7.741 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.282 6.413 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.419 5.270 13.714 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.479 6.056 14.967 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.710 7.033 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.590 8.244 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.649 7.995 13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.219 7.784 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.141 6.433 12.592 1.00 0.00 H new ATOM 474 N TYR A 35 -9.187 4.276 10.923 1.00 0.00 N ATOM 475 CA TYR A 35 -8.808 4.149 9.516 1.00 0.00 C ATOM 476 C TYR A 35 -9.007 2.709 9.022 1.00 0.00 C ATOM 477 O TYR A 35 -8.581 1.755 9.682 1.00 0.00 O ATOM 478 CB TYR A 35 -7.338 4.564 9.336 1.00 0.00 C ATOM 479 CG TYR A 35 -6.991 4.599 7.864 1.00 0.00 C ATOM 480 CD1 TYR A 35 -7.162 5.777 7.139 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.513 3.448 7.230 1.00 0.00 C ATOM 482 CE1 TYR A 35 -6.856 5.810 5.776 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.206 3.479 5.866 1.00 0.00 C ATOM 484 CZ TYR A 35 -6.377 4.661 5.139 1.00 0.00 C ATOM 485 OH TYR A 35 -6.074 4.693 3.793 1.00 0.00 O ATOM 0 H TYR A 35 -8.394 4.330 11.562 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.448 4.805 8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.170 5.544 9.782 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.686 3.862 9.856 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.531 6.665 7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.381 2.536 7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.989 6.723 5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.837 2.591 5.375 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.901 4.769 3.273 1.00 0.00 H new ATOM 495 N THR A 36 -9.624 2.569 7.837 1.00 0.00 N ATOM 496 CA THR A 36 -9.837 1.248 7.238 1.00 0.00 C ATOM 497 C THR A 36 -9.906 1.325 5.706 1.00 0.00 C ATOM 498 O THR A 36 -10.338 2.336 5.144 1.00 0.00 O ATOM 499 CB THR A 36 -11.114 0.597 7.807 1.00 0.00 C ATOM 500 OG1 THR A 36 -11.274 -0.699 7.248 1.00 0.00 O ATOM 501 CG2 THR A 36 -12.344 1.456 7.484 1.00 0.00 C ATOM 0 H THR A 36 -9.980 3.348 7.282 1.00 0.00 H new ATOM 0 HA THR A 36 -8.981 0.625 7.497 1.00 0.00 H new ATOM 0 HB THR A 36 -11.018 0.520 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.393 -1.103 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.236 0.982 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.223 2.445 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.447 1.552 6.403 1.00 0.00 H new ATOM 509 N CYS A 37 -9.517 0.226 5.046 1.00 0.00 N ATOM 510 CA CYS A 37 -9.574 0.137 3.578 1.00 0.00 C ATOM 511 C CYS A 37 -10.786 -0.696 3.195 1.00 0.00 C ATOM 512 O CYS A 37 -11.083 -1.686 3.860 1.00 0.00 O ATOM 513 CB CYS A 37 -8.305 -0.546 3.013 1.00 0.00 C ATOM 514 SG CYS A 37 -6.809 0.177 3.746 1.00 0.00 S ATOM 0 H CYS A 37 -9.160 -0.613 5.503 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.640 1.144 3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.338 -1.615 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.277 -0.433 1.929 1.00 0.00 H new ATOM 519 N MET A 38 -11.499 -0.284 2.140 1.00 0.00 N ATOM 520 CA MET A 38 -12.700 -1.004 1.703 1.00 0.00 C ATOM 521 C MET A 38 -12.608 -1.400 0.251 1.00 0.00 C ATOM 522 O MET A 38 -12.167 -0.615 -0.597 1.00 0.00 O ATOM 523 CB MET A 38 -13.941 -0.154 1.921 1.00 0.00 C ATOM 524 CG MET A 38 -14.141 0.056 3.419 1.00 0.00 C ATOM 525 SD MET A 38 -15.557 1.151 3.698 1.00 0.00 S ATOM 526 CE MET A 38 -16.852 -0.011 3.202 1.00 0.00 C ATOM 0 H MET A 38 -11.268 0.536 1.578 1.00 0.00 H new ATOM 0 HA MET A 38 -12.773 -1.911 2.304 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.833 0.806 1.417 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.814 -0.644 1.489 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.307 -0.902 3.911 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.242 0.489 3.859 1.00 0.00 H new ATOM 0 HE1 MET A 38 -17.780 0.237 3.717 1.00 0.00 H new ATOM 0 HE2 MET A 38 -17.006 0.054 2.125 1.00 0.00 H new ATOM 0 HE3 MET A 38 -16.551 -1.025 3.465 1.00 0.00 H new ATOM 536 N PHE A 39 -13.025 -2.629 -0.028 1.00 0.00 N ATOM 537 CA PHE A 39 -12.998 -3.167 -1.380 1.00 0.00 C ATOM 538 C PHE A 39 -14.298 -3.880 -1.706 1.00 0.00 C ATOM 539 O PHE A 39 -14.560 -4.976 -1.201 1.00 0.00 O ATOM 540 CB PHE A 39 -11.821 -4.127 -1.531 1.00 0.00 C ATOM 541 CG PHE A 39 -10.528 -3.359 -1.375 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.034 -3.081 -0.095 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.827 -2.927 -2.506 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.836 -2.374 0.053 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.630 -2.221 -2.358 1.00 0.00 C ATOM 546 CZ PHE A 39 -8.133 -1.944 -1.078 1.00 0.00 C ATOM 0 H PHE A 39 -13.389 -3.276 0.672 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.880 -2.339 -2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.882 -4.916 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.854 -4.611 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.577 -3.412 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.211 -3.139 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.454 -2.160 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.088 -1.889 -3.231 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.208 -1.399 -0.964 1.00 0.00 H new ATOM 556 N THR A 40 -15.091 -3.262 -2.572 1.00 0.00 N ATOM 557 CA THR A 40 -16.364 -3.835 -3.006 1.00 0.00 C ATOM 558 C THR A 40 -16.247 -4.272 -4.468 1.00 0.00 C ATOM 559 O THR A 40 -15.745 -3.520 -5.298 1.00 0.00 O ATOM 560 CB THR A 40 -17.492 -2.793 -2.839 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.552 -2.387 -1.477 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.846 -3.401 -3.238 1.00 0.00 C ATOM 0 H THR A 40 -14.875 -2.358 -2.992 1.00 0.00 H new ATOM 0 HA THR A 40 -16.605 -4.704 -2.394 1.00 0.00 H new ATOM 0 HB THR A 40 -17.282 -1.938 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.265 -1.724 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.631 -2.654 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.809 -3.720 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.060 -4.261 -2.603 1.00 0.00 H new ATOM 570 N TYR A 41 -16.670 -5.505 -4.765 1.00 0.00 N ATOM 571 CA TYR A 41 -16.575 -6.028 -6.129 1.00 0.00 C ATOM 572 C TYR A 41 -17.653 -7.066 -6.426 1.00 0.00 C ATOM 573 O TYR A 41 -18.226 -7.666 -5.513 1.00 0.00 O ATOM 574 CB TYR A 41 -15.169 -6.613 -6.388 1.00 0.00 C ATOM 575 CG TYR A 41 -14.888 -7.769 -5.444 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.236 -9.074 -5.815 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.280 -7.532 -4.205 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.974 -10.142 -4.946 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.019 -8.599 -3.337 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.367 -9.904 -3.708 1.00 0.00 C ATOM 581 OH TYR A 41 -14.108 -10.956 -2.854 1.00 0.00 O ATOM 0 H TYR A 41 -17.076 -6.151 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.740 -5.191 -6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.096 -6.954 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.416 -5.836 -6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.706 -9.257 -6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.012 -6.526 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.241 -11.149 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.550 -8.416 -2.382 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.064 -10.626 -1.932 1.00 0.00 H new ATOM 591 N ALA A 42 -17.894 -7.283 -7.718 1.00 0.00 N ATOM 592 CA ALA A 42 -18.874 -8.269 -8.179 1.00 0.00 C ATOM 593 C ALA A 42 -18.219 -9.218 -9.173 1.00 0.00 C ATOM 594 O ALA A 42 -17.456 -8.778 -10.046 1.00 0.00 O ATOM 595 CB ALA A 42 -20.067 -7.569 -8.829 1.00 0.00 C ATOM 0 H ALA A 42 -17.420 -6.785 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.232 -8.839 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.787 -8.315 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.542 -6.909 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.725 -6.983 -9.682 1.00 0.00 H new ATOM 601 N SER A 43 -18.478 -10.526 -9.011 1.00 0.00 N ATOM 602 CA SER A 43 -17.857 -11.538 -9.870 1.00 0.00 C ATOM 603 C SER A 43 -18.859 -12.584 -10.345 1.00 0.00 C ATOM 604 O SER A 43 -19.881 -12.826 -9.697 1.00 0.00 O ATOM 605 CB SER A 43 -16.719 -12.223 -9.126 1.00 0.00 C ATOM 606 OG SER A 43 -15.761 -11.250 -8.734 1.00 0.00 O ATOM 0 H SER A 43 -19.106 -10.901 -8.300 1.00 0.00 H new ATOM 0 HA SER A 43 -17.472 -11.024 -10.751 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.104 -12.744 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.252 -12.973 -9.764 1.00 0.00 H new ATOM 0 HG SER A 43 -14.905 -11.439 -9.172 1.00 0.00 H new ATOM 612 N GLN A 44 -18.528 -13.228 -11.471 1.00 0.00 N ATOM 613 CA GLN A 44 -19.359 -14.287 -12.040 1.00 0.00 C ATOM 614 C GLN A 44 -18.505 -15.522 -12.342 1.00 0.00 C ATOM 615 O GLN A 44 -17.445 -15.418 -12.967 1.00 0.00 O ATOM 616 CB GLN A 44 -20.036 -13.790 -13.326 1.00 0.00 C ATOM 617 CG GLN A 44 -21.089 -14.806 -13.796 1.00 0.00 C ATOM 618 CD GLN A 44 -22.234 -14.895 -12.786 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.448 -15.943 -12.179 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.985 -13.849 -12.572 1.00 0.00 N ATOM 0 H GLN A 44 -17.683 -13.029 -12.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.128 -14.558 -11.316 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.507 -12.823 -13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.289 -13.642 -14.106 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.478 -14.511 -14.771 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.628 -15.786 -13.920 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.806 -12.981 -13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.751 -13.900 -11.900 1.00 0.00 H new ATOM 629 N GLY A 45 -18.961 -16.682 -11.863 1.00 0.00 N ATOM 630 CA GLY A 45 -18.240 -17.940 -12.037 1.00 0.00 C ATOM 631 C GLY A 45 -18.750 -18.978 -11.045 1.00 0.00 C ATOM 632 O GLY A 45 -19.715 -18.721 -10.316 1.00 0.00 O ATOM 0 H GLY A 45 -19.836 -16.773 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.370 -18.305 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.172 -17.779 -11.890 1.00 0.00 H new ATOM 636 N GLY A 46 -18.110 -20.154 -11.026 1.00 0.00 N ATOM 637 CA GLY A 46 -18.522 -21.238 -10.120 1.00 0.00 C ATOM 638 C GLY A 46 -17.418 -21.644 -9.122 1.00 0.00 C ATOM 639 O GLY A 46 -17.645 -22.516 -8.275 1.00 0.00 O ATOM 0 H GLY A 46 -17.313 -20.380 -11.621 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.407 -20.924 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.808 -22.108 -10.711 1.00 0.00 H new ATOM 643 N THR A 47 -16.230 -21.020 -9.226 1.00 0.00 N ATOM 644 CA THR A 47 -15.112 -21.345 -8.323 1.00 0.00 C ATOM 645 C THR A 47 -14.490 -20.071 -7.755 1.00 0.00 C ATOM 646 O THR A 47 -14.180 -19.144 -8.500 1.00 0.00 O ATOM 647 CB THR A 47 -14.050 -22.174 -9.077 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.666 -23.333 -9.623 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.929 -22.612 -8.116 1.00 0.00 C ATOM 0 H THR A 47 -16.022 -20.298 -9.916 1.00 0.00 H new ATOM 0 HA THR A 47 -15.496 -21.936 -7.491 1.00 0.00 H new ATOM 0 HB THR A 47 -13.622 -21.561 -9.870 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.997 -23.863 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.188 -23.195 -8.663 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.452 -21.731 -7.687 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.352 -23.220 -7.317 1.00 0.00 H new ATOM 657 N ASN A 48 -14.291 -20.048 -6.430 1.00 0.00 N ATOM 658 CA ASN A 48 -13.684 -18.895 -5.773 1.00 0.00 C ATOM 659 C ASN A 48 -12.162 -18.935 -5.896 1.00 0.00 C ATOM 660 O ASN A 48 -11.607 -19.869 -6.487 1.00 0.00 O ATOM 661 CB ASN A 48 -14.106 -18.829 -4.295 1.00 0.00 C ATOM 662 CG ASN A 48 -13.611 -20.060 -3.515 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.713 -20.781 -3.963 1.00 0.00 O ATOM 664 ND2 ASN A 48 -14.151 -20.340 -2.360 1.00 0.00 N ATOM 0 H ASN A 48 -14.541 -20.811 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.040 -17.995 -6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.705 -17.923 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.192 -18.766 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.831 -21.151 -1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.892 -19.747 -1.987 1.00 0.00 H new ATOM 671 N GLU A 49 -11.490 -17.905 -5.357 1.00 0.00 N ATOM 672 CA GLU A 49 -10.037 -17.815 -5.434 1.00 0.00 C ATOM 673 C GLU A 49 -9.461 -17.117 -4.207 1.00 0.00 C ATOM 674 O GLU A 49 -10.121 -16.281 -3.587 1.00 0.00 O ATOM 675 CB GLU A 49 -9.622 -17.071 -6.713 1.00 0.00 C ATOM 676 CG GLU A 49 -8.091 -17.128 -6.905 1.00 0.00 C ATOM 677 CD GLU A 49 -7.596 -18.581 -7.045 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.341 -19.403 -7.561 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.483 -18.845 -6.624 1.00 0.00 O ATOM 0 H GLU A 49 -11.935 -17.129 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.636 -18.828 -5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.118 -17.515 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.948 -16.032 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.813 -16.560 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.598 -16.654 -6.056 1.00 0.00 H new ATOM 686 N GLN A 50 -8.222 -17.472 -3.875 1.00 0.00 N ATOM 687 CA GLN A 50 -7.528 -16.890 -2.733 1.00 0.00 C ATOM 688 C GLN A 50 -6.593 -15.767 -3.184 1.00 0.00 C ATOM 689 O GLN A 50 -5.707 -15.975 -4.017 1.00 0.00 O ATOM 690 CB GLN A 50 -6.735 -17.975 -2.002 1.00 0.00 C ATOM 691 CG GLN A 50 -7.710 -18.981 -1.383 1.00 0.00 C ATOM 692 CD GLN A 50 -6.942 -20.104 -0.696 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.926 -19.857 -0.045 1.00 0.00 O ATOM 694 NE2 GLN A 50 -7.368 -21.334 -0.802 1.00 0.00 N ATOM 0 H GLN A 50 -7.676 -18.165 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.268 -16.467 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.063 -18.481 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.114 -17.528 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.355 -18.478 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.358 -19.394 -2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.209 -21.538 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.859 -22.091 -0.345 1.00 0.00 H new ATOM 703 N TRP A 51 -6.812 -14.576 -2.625 1.00 0.00 N ATOM 704 CA TRP A 51 -6.014 -13.390 -2.952 1.00 0.00 C ATOM 705 C TRP A 51 -5.283 -12.881 -1.718 1.00 0.00 C ATOM 706 O TRP A 51 -5.768 -13.048 -0.596 1.00 0.00 O ATOM 707 CB TRP A 51 -6.918 -12.283 -3.505 1.00 0.00 C ATOM 708 CG TRP A 51 -7.403 -12.646 -4.875 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.228 -13.681 -5.161 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.127 -11.979 -6.142 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.465 -13.697 -6.526 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.808 -12.666 -7.172 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.352 -10.856 -6.493 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.728 -12.255 -8.505 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.271 -10.438 -7.834 1.00 0.00 C ATOM 716 CH2 TRP A 51 -6.957 -11.138 -8.838 1.00 0.00 C ATOM 0 H TRP A 51 -7.544 -14.405 -1.936 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.280 -13.669 -3.708 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.768 -12.131 -2.839 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.370 -11.341 -3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.634 -14.379 -4.444 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.052 -14.385 -6.997 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.817 -10.313 -5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.259 -12.797 -9.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.677 -9.573 -8.092 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.889 -10.814 -9.866 1.00 0.00 H new ATOM 727 N GLN A 52 -4.119 -12.245 -1.929 1.00 0.00 N ATOM 728 CA GLN A 52 -3.335 -11.702 -0.815 1.00 0.00 C ATOM 729 C GLN A 52 -3.551 -10.209 -0.700 1.00 0.00 C ATOM 730 O GLN A 52 -3.664 -9.506 -1.714 1.00 0.00 O ATOM 731 CB GLN A 52 -1.831 -11.989 -1.000 1.00 0.00 C ATOM 732 CG GLN A 52 -1.580 -13.509 -1.094 1.00 0.00 C ATOM 733 CD GLN A 52 -1.998 -14.210 0.201 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.918 -15.029 0.195 1.00 0.00 O ATOM 735 NE2 GLN A 52 -1.373 -13.938 1.314 1.00 0.00 N ATOM 0 H GLN A 52 -3.707 -12.097 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.673 -12.191 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.469 -11.498 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.269 -11.572 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.138 -13.923 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.524 -13.696 -1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.611 -13.260 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.646 -14.404 2.179 1.00 0.00 H new ATOM 744 N MET A 53 -3.597 -9.724 0.539 1.00 0.00 N ATOM 745 CA MET A 53 -3.787 -8.306 0.806 1.00 0.00 C ATOM 746 C MET A 53 -2.577 -7.780 1.537 1.00 0.00 C ATOM 747 O MET A 53 -1.944 -8.516 2.289 1.00 0.00 O ATOM 748 CB MET A 53 -5.030 -8.069 1.681 1.00 0.00 C ATOM 749 CG MET A 53 -6.281 -8.666 1.013 1.00 0.00 C ATOM 750 SD MET A 53 -7.732 -8.356 2.058 1.00 0.00 S ATOM 751 CE MET A 53 -7.938 -6.594 1.688 1.00 0.00 C ATOM 0 H MET A 53 -3.504 -10.299 1.376 1.00 0.00 H new ATOM 0 HA MET A 53 -3.923 -7.791 -0.145 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.883 -8.521 2.662 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.171 -7.000 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.427 -8.222 0.028 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.150 -9.738 0.863 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.083 -6.042 2.617 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.048 -6.223 1.180 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.807 -6.456 1.045 1.00 0.00 H new ATOM 761 N SER A 54 -2.262 -6.514 1.316 1.00 0.00 N ATOM 762 CA SER A 54 -1.128 -5.879 1.978 1.00 0.00 C ATOM 763 C SER A 54 -1.469 -4.461 2.384 1.00 0.00 C ATOM 764 O SER A 54 -1.858 -3.642 1.547 1.00 0.00 O ATOM 765 CB SER A 54 0.090 -5.872 1.065 1.00 0.00 C ATOM 766 OG SER A 54 1.177 -5.244 1.734 1.00 0.00 O ATOM 0 H SER A 54 -2.776 -5.902 0.682 1.00 0.00 H new ATOM 0 HA SER A 54 -0.897 -6.456 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.358 -6.892 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.138 -5.342 0.140 1.00 0.00 H new ATOM 0 HG SER A 54 1.963 -5.240 1.149 1.00 0.00 H new ATOM 772 N LEU A 55 -1.293 -4.170 3.670 1.00 0.00 N ATOM 773 CA LEU A 55 -1.553 -2.836 4.204 1.00 0.00 C ATOM 774 C LEU A 55 -0.365 -2.364 5.023 1.00 0.00 C ATOM 775 O LEU A 55 0.258 -3.155 5.743 1.00 0.00 O ATOM 776 CB LEU A 55 -2.837 -2.821 5.064 1.00 0.00 C ATOM 777 CG LEU A 55 -2.754 -3.881 6.212 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.526 -3.382 7.440 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.368 -5.215 5.748 1.00 0.00 C ATOM 0 H LEU A 55 -0.970 -4.843 4.365 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.702 -2.155 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.982 -1.828 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.703 -3.028 4.435 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.705 -4.031 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.464 -4.125 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.093 -2.443 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.571 -3.223 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.305 -5.945 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.413 -5.061 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.821 -5.585 4.881 1.00 0.00 H new ATOM 791 N GLY A 56 -0.033 -1.076 4.887 1.00 0.00 N ATOM 792 CA GLY A 56 1.106 -0.503 5.597 1.00 0.00 C ATOM 793 C GLY A 56 0.863 0.956 5.929 1.00 0.00 C ATOM 794 O GLY A 56 0.009 1.608 5.318 1.00 0.00 O ATOM 0 H GLY A 56 -0.537 -0.416 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.286 -1.063 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.004 -0.596 4.986 1.00 0.00 H new ATOM 798 N THR A 57 1.603 1.458 6.920 1.00 0.00 N ATOM 799 CA THR A 57 1.457 2.848 7.365 1.00 0.00 C ATOM 800 C THR A 57 2.813 3.528 7.510 1.00 0.00 C ATOM 801 O THR A 57 3.838 2.865 7.697 1.00 0.00 O ATOM 802 CB THR A 57 0.716 2.900 8.715 1.00 0.00 C ATOM 803 OG1 THR A 57 1.480 2.216 9.699 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.667 2.240 8.593 1.00 0.00 C ATOM 0 H THR A 57 2.308 0.925 7.429 1.00 0.00 H new ATOM 0 HA THR A 57 0.880 3.378 6.607 1.00 0.00 H new ATOM 0 HB THR A 57 0.585 3.942 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.011 2.250 10.559 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.178 2.285 9.555 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.257 2.768 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.548 1.199 8.294 1.00 0.00 H new ATOM 812 N SER A 58 2.796 4.863 7.471 1.00 0.00 N ATOM 813 CA SER A 58 4.005 5.663 7.648 1.00 0.00 C ATOM 814 C SER A 58 4.500 5.550 9.083 1.00 0.00 C ATOM 815 O SER A 58 3.723 5.235 9.986 1.00 0.00 O ATOM 816 CB SER A 58 3.732 7.126 7.307 1.00 0.00 C ATOM 817 OG SER A 58 4.905 7.892 7.547 1.00 0.00 O ATOM 0 H SER A 58 1.951 5.413 7.317 1.00 0.00 H new ATOM 0 HA SER A 58 4.773 5.284 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.431 7.218 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.907 7.504 7.911 1.00 0.00 H new ATOM 0 HG SER A 58 4.788 8.793 7.181 1.00 0.00 H new ATOM 823 N GLU A 59 5.800 5.784 9.283 1.00 0.00 N ATOM 824 CA GLU A 59 6.399 5.695 10.622 1.00 0.00 C ATOM 825 C GLU A 59 5.668 6.613 11.625 1.00 0.00 C ATOM 826 O GLU A 59 5.617 6.319 12.823 1.00 0.00 O ATOM 827 CB GLU A 59 7.901 6.053 10.557 1.00 0.00 C ATOM 828 CG GLU A 59 8.085 7.491 10.038 1.00 0.00 C ATOM 829 CD GLU A 59 9.570 7.809 9.877 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.287 6.966 9.360 1.00 0.00 O ATOM 831 OE2 GLU A 59 9.970 8.892 10.274 1.00 0.00 O ATOM 0 H GLU A 59 6.455 6.035 8.543 1.00 0.00 H new ATOM 0 HA GLU A 59 6.294 4.669 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.348 5.956 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.421 5.353 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.575 7.608 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.628 8.197 10.732 1.00 0.00 H new ATOM 838 N ASP A 60 5.075 7.701 11.113 1.00 0.00 N ATOM 839 CA ASP A 60 4.307 8.643 11.948 1.00 0.00 C ATOM 840 C ASP A 60 2.779 8.424 11.808 1.00 0.00 C ATOM 841 O ASP A 60 1.987 9.180 12.375 1.00 0.00 O ATOM 842 CB ASP A 60 4.654 10.084 11.571 1.00 0.00 C ATOM 843 CG ASP A 60 6.145 10.337 11.776 1.00 0.00 C ATOM 844 OD1 ASP A 60 6.658 9.946 12.813 1.00 0.00 O ATOM 845 OD2 ASP A 60 6.754 10.920 10.894 1.00 0.00 O ATOM 0 H ASP A 60 5.111 7.953 10.125 1.00 0.00 H new ATOM 0 HA ASP A 60 4.581 8.457 12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.386 10.270 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.073 10.777 12.179 1.00 0.00 H new ATOM 850 N HIS A 61 2.380 7.398 11.033 1.00 0.00 N ATOM 851 CA HIS A 61 0.959 7.087 10.792 1.00 0.00 C ATOM 852 C HIS A 61 0.249 8.232 10.046 1.00 0.00 C ATOM 853 O HIS A 61 -0.980 8.355 10.104 1.00 0.00 O ATOM 854 CB HIS A 61 0.233 6.797 12.127 1.00 0.00 C ATOM 855 CG HIS A 61 0.882 5.628 12.868 1.00 0.00 C ATOM 856 ND1 HIS A 61 1.870 4.722 12.519 1.00 0.00 N flip ATOM 857 CD2 HIS A 61 0.517 5.295 14.164 1.00 0.00 C flip ATOM 858 CE1 HIS A 61 2.105 3.853 13.576 1.00 0.00 C flip ATOM 859 NE2 HIS A 61 1.266 4.240 14.541 1.00 0.00 N flip ATOM 0 H HIS A 61 3.027 6.767 10.560 1.00 0.00 H new ATOM 0 HA HIS A 61 0.920 6.197 10.163 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.255 7.687 12.756 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.815 6.570 11.932 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.352 4.697 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.232 5.792 14.763 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.814 3.039 13.611 1.00 0.00 H new ATOM 867 N GLN A 62 1.032 9.047 9.330 1.00 0.00 N ATOM 868 CA GLN A 62 0.497 10.165 8.548 1.00 0.00 C ATOM 869 C GLN A 62 -0.041 9.704 7.183 1.00 0.00 C ATOM 870 O GLN A 62 -0.991 10.289 6.656 1.00 0.00 O ATOM 871 CB GLN A 62 1.567 11.258 8.368 1.00 0.00 C ATOM 872 CG GLN A 62 2.797 10.681 7.661 1.00 0.00 C ATOM 873 CD GLN A 62 3.794 11.791 7.350 1.00 0.00 C ATOM 874 OE1 GLN A 62 3.452 12.761 6.675 1.00 0.00 O ATOM 875 NE2 GLN A 62 5.013 11.707 7.809 1.00 0.00 N ATOM 0 H GLN A 62 2.046 8.951 9.277 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.342 10.582 9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.159 12.085 7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.853 11.661 9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.267 9.926 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.496 10.184 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.293 10.901 8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.686 12.447 7.608 1.00 0.00 H new ATOM 884 N HIS A 63 0.567 8.642 6.627 1.00 0.00 N ATOM 885 CA HIS A 63 0.140 8.090 5.334 1.00 0.00 C ATOM 886 C HIS A 63 -0.298 6.638 5.473 1.00 0.00 C ATOM 887 O HIS A 63 0.310 5.866 6.221 1.00 0.00 O ATOM 888 CB HIS A 63 1.264 8.186 4.294 1.00 0.00 C ATOM 889 CG HIS A 63 1.509 9.622 3.929 1.00 0.00 C ATOM 890 ND1 HIS A 63 2.554 10.473 4.186 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 0.610 10.347 3.166 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 2.310 11.706 3.593 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 1.127 11.574 2.990 1.00 0.00 N flip ATOM 0 H HIS A 63 1.353 8.151 7.053 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.709 8.684 4.995 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.177 7.743 4.692 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.996 7.617 3.404 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.384 10.237 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.335 9.991 2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.941 12.582 3.615 1.00 0.00 H new ATOM 901 N PHE A 64 -1.352 6.274 4.736 1.00 0.00 N ATOM 902 CA PHE A 64 -1.881 4.904 4.759 1.00 0.00 C ATOM 903 C PHE A 64 -1.989 4.343 3.346 1.00 0.00 C ATOM 904 O PHE A 64 -2.377 5.056 2.420 1.00 0.00 O ATOM 905 CB PHE A 64 -3.259 4.878 5.428 1.00 0.00 C ATOM 906 CG PHE A 64 -3.138 5.305 6.874 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.246 6.658 7.215 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.922 4.348 7.870 1.00 0.00 C ATOM 909 CE1 PHE A 64 -3.135 7.052 8.555 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.812 4.743 9.208 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.919 6.094 9.550 1.00 0.00 C ATOM 0 H PHE A 64 -1.856 6.908 4.116 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.191 4.284 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.942 5.543 4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.682 3.875 5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.415 7.398 6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.840 3.304 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.216 8.096 8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.644 4.003 9.977 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.835 6.398 10.583 1.00 0.00 H new ATOM 921 N THR A 65 -1.655 3.054 3.188 1.00 0.00 N ATOM 922 CA THR A 65 -1.735 2.391 1.879 1.00 0.00 C ATOM 923 C THR A 65 -2.441 1.043 1.985 1.00 0.00 C ATOM 924 O THR A 65 -2.297 0.326 2.985 1.00 0.00 O ATOM 925 CB THR A 65 -0.329 2.188 1.296 1.00 0.00 C ATOM 926 OG1 THR A 65 0.445 1.399 2.189 1.00 0.00 O ATOM 927 CG2 THR A 65 0.349 3.543 1.083 1.00 0.00 C ATOM 0 H THR A 65 -1.329 2.453 3.945 1.00 0.00 H new ATOM 0 HA THR A 65 -2.314 3.035 1.217 1.00 0.00 H new ATOM 0 HB THR A 65 -0.409 1.677 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.342 1.268 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.346 3.390 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.243 4.141 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.428 4.064 2.037 1.00 0.00 H new ATOM 935 N CYS A 66 -3.160 0.681 0.914 1.00 0.00 N ATOM 936 CA CYS A 66 -3.862 -0.612 0.840 1.00 0.00 C ATOM 937 C CYS A 66 -3.631 -1.222 -0.541 1.00 0.00 C ATOM 938 O CYS A 66 -3.770 -0.527 -1.548 1.00 0.00 O ATOM 939 CB CYS A 66 -5.391 -0.457 1.073 1.00 0.00 C ATOM 940 SG CYS A 66 -5.769 0.952 2.191 1.00 0.00 S ATOM 0 H CYS A 66 -3.272 1.265 0.085 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.465 -1.256 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.891 -0.307 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.789 -1.377 1.500 1.00 0.00 H new ATOM 945 N THR A 67 -3.234 -2.499 -0.586 1.00 0.00 N ATOM 946 CA THR A 67 -2.938 -3.152 -1.870 1.00 0.00 C ATOM 947 C THR A 67 -3.471 -4.585 -1.904 1.00 0.00 C ATOM 948 O THR A 67 -3.247 -5.355 -0.977 1.00 0.00 O ATOM 949 CB THR A 67 -1.423 -3.143 -2.090 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.948 -1.805 -1.995 1.00 0.00 O ATOM 951 CG2 THR A 67 -1.059 -3.711 -3.475 1.00 0.00 C ATOM 0 H THR A 67 -3.111 -3.093 0.234 1.00 0.00 H new ATOM 0 HA THR A 67 -3.435 -2.602 -2.669 1.00 0.00 H new ATOM 0 HB THR A 67 -0.959 -3.769 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.275 -1.647 -2.690 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.023 -3.692 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.416 -4.738 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.527 -3.105 -4.251 1.00 0.00 H new ATOM 959 N ILE A 68 -4.153 -4.938 -3.003 1.00 0.00 N ATOM 960 CA ILE A 68 -4.686 -6.310 -3.167 1.00 0.00 C ATOM 961 C ILE A 68 -4.329 -6.866 -4.555 1.00 0.00 C ATOM 962 O ILE A 68 -4.611 -6.224 -5.569 1.00 0.00 O ATOM 963 CB ILE A 68 -6.219 -6.326 -2.956 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.537 -5.750 -1.555 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.739 -7.785 -3.046 1.00 0.00 C ATOM 966 CD1 ILE A 68 -8.046 -5.538 -1.389 1.00 0.00 C ATOM 0 H ILE A 68 -4.349 -4.310 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.227 -6.948 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.705 -5.724 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.173 -6.430 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.014 -4.804 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.819 -7.796 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.504 -8.195 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.260 -8.390 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.250 -5.133 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.401 -4.839 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.562 -6.491 -1.504 1.00 0.00 H new ATOM 978 N TRP A 69 -3.731 -8.075 -4.589 1.00 0.00 N ATOM 979 CA TRP A 69 -3.363 -8.705 -5.878 1.00 0.00 C ATOM 980 C TRP A 69 -3.330 -10.250 -5.804 1.00 0.00 C ATOM 981 O TRP A 69 -3.282 -10.844 -4.716 1.00 0.00 O ATOM 982 CB TRP A 69 -1.995 -8.160 -6.376 1.00 0.00 C ATOM 983 CG TRP A 69 -0.874 -8.645 -5.494 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.071 -9.700 -5.770 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.449 -8.133 -4.209 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.828 -9.857 -4.735 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.635 -8.915 -3.746 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.891 -7.073 -3.406 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.256 -8.656 -2.532 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.268 -6.807 -2.179 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.806 -7.600 -1.743 1.00 0.00 C ATOM 0 H TRP A 69 -3.497 -8.625 -3.762 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.143 -8.439 -6.592 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.822 -8.482 -7.403 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -2.013 -7.070 -6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.125 -10.317 -6.655 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.547 -10.580 -4.705 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.716 -6.458 -3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.082 -9.269 -2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.615 -5.988 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.283 -7.391 -0.797 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.295 -10.869 -6.987 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.193 -12.315 -7.128 1.00 0.00 C ATOM 1004 C ARG A 70 -1.716 -12.749 -6.894 1.00 0.00 C ATOM 1005 O ARG A 70 -0.826 -12.263 -7.603 1.00 0.00 O ATOM 1006 CB ARG A 70 -3.619 -12.696 -8.556 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.603 -14.225 -8.749 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.890 -14.836 -8.200 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.047 -16.220 -8.703 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.567 -17.314 -8.061 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -3.915 -17.213 -6.920 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -4.755 -18.493 -8.590 1.00 0.00 N ATOM 0 H ARG A 70 -3.337 -10.373 -7.877 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.835 -12.813 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.619 -12.311 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.948 -12.228 -9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.500 -14.465 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.741 -14.655 -8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.866 -14.837 -7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.746 -14.232 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.545 -16.358 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.761 -16.296 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.564 -18.051 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.257 -18.581 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.400 -19.326 -8.120 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.418 -13.628 -5.906 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.005 -14.052 -5.628 1.00 0.00 C ATOM 1028 C PRO A 71 0.559 -14.924 -6.749 1.00 0.00 C ATOM 1029 O PRO A 71 1.733 -14.808 -7.110 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.118 -14.842 -4.325 1.00 0.00 C ATOM 1031 CG PRO A 71 -1.512 -15.370 -4.315 1.00 0.00 C ATOM 1032 CD PRO A 71 -2.369 -14.303 -4.981 1.00 0.00 C ATOM 0 HA PRO A 71 0.676 -13.204 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.611 -15.651 -4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.070 -14.206 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.575 -16.315 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.849 -15.562 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.211 -14.740 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.783 -13.607 -4.252 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.303 -15.775 -7.312 1.00 0.00 N ATOM 1041 CA GLN A 72 0.076 -16.653 -8.419 1.00 0.00 C ATOM 1042 C GLN A 72 0.358 -15.857 -9.690 1.00 0.00 C ATOM 1043 O GLN A 72 1.284 -16.176 -10.443 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.017 -17.693 -8.669 1.00 0.00 C ATOM 1045 CG GLN A 72 -1.039 -18.696 -7.511 1.00 0.00 C ATOM 1046 CD GLN A 72 -2.108 -19.758 -7.749 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -2.289 -20.216 -8.878 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -2.828 -20.184 -6.746 1.00 0.00 N ATOM 0 H GLN A 72 -1.274 -15.874 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 72 0.995 -17.168 -8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.987 -17.203 -8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.833 -18.211 -9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.062 -19.170 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.237 -18.175 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.677 -19.804 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.542 -20.897 -6.897 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.451 -14.820 -9.918 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.306 -13.963 -11.094 1.00 0.00 C ATOM 1059 C GLY A 73 -1.663 -13.637 -11.715 1.00 0.00 C ATOM 1060 O GLY A 73 -2.015 -12.462 -11.868 1.00 0.00 O ATOM 0 H GLY A 73 -1.217 -14.554 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.199 -13.039 -10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.324 -14.459 -11.832 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.422 -14.684 -12.083 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.741 -14.497 -12.701 1.00 0.00 C ATOM 1066 C LYS A 74 -4.756 -15.529 -12.207 1.00 0.00 C ATOM 1067 O LYS A 74 -4.406 -16.679 -11.927 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.630 -14.568 -14.236 1.00 0.00 C ATOM 1069 CG LYS A 74 -3.021 -15.918 -14.672 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.813 -15.935 -16.195 1.00 0.00 C ATOM 1071 CE LYS A 74 -4.162 -16.092 -16.909 1.00 0.00 C ATOM 1072 NZ LYS A 74 -3.936 -16.200 -18.379 1.00 0.00 N ATOM 0 H LYS A 74 -2.146 -15.659 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.098 -13.510 -12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.616 -14.446 -14.684 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.011 -13.748 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.069 -16.077 -14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.680 -16.735 -14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.329 -15.012 -16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.149 -16.755 -16.470 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.678 -16.980 -16.543 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.803 -15.238 -16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.850 -16.306 -18.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.461 -15.341 -18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.340 -17.028 -18.579 1.00 0.00 H new ATOM 1086 N SER A 75 -6.021 -15.107 -12.145 1.00 0.00 N ATOM 1087 CA SER A 75 -7.123 -15.981 -11.737 1.00 0.00 C ATOM 1088 C SER A 75 -8.128 -16.127 -12.879 1.00 0.00 C ATOM 1089 O SER A 75 -8.466 -15.134 -13.535 1.00 0.00 O ATOM 1090 CB SER A 75 -7.832 -15.400 -10.511 1.00 0.00 C ATOM 1091 OG SER A 75 -8.932 -16.233 -10.164 1.00 0.00 O ATOM 0 H SER A 75 -6.309 -14.156 -12.375 1.00 0.00 H new ATOM 0 HA SER A 75 -6.714 -16.960 -11.487 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.137 -15.329 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.180 -14.389 -10.723 1.00 0.00 H new ATOM 0 HG SER A 75 -9.288 -15.959 -9.293 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.618 -17.359 -13.107 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.602 -17.587 -14.170 1.00 0.00 C ATOM 1099 C TYR A 76 -11.022 -17.315 -13.653 1.00 0.00 C ATOM 1100 O TYR A 76 -11.731 -18.227 -13.212 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.498 -19.028 -14.695 1.00 0.00 C ATOM 1102 CG TYR A 76 -8.202 -19.209 -15.447 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.058 -19.658 -14.775 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -8.146 -18.934 -16.818 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -5.859 -19.830 -15.477 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -6.947 -19.106 -17.519 1.00 0.00 C ATOM 1107 CZ TYR A 76 -5.803 -19.555 -16.848 1.00 0.00 C ATOM 1108 OH TYR A 76 -4.622 -19.726 -17.540 1.00 0.00 O ATOM 0 H TYR A 76 -8.354 -18.192 -12.581 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.390 -16.899 -14.989 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.547 -19.731 -13.864 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.342 -19.248 -15.349 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.101 -19.871 -13.717 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.029 -18.589 -17.336 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.976 -20.175 -14.960 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.904 -18.893 -18.577 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.758 -19.492 -18.482 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.421 -16.044 -13.728 1.00 0.00 N ATOM 1119 CA LEU A 77 -12.752 -15.609 -13.298 1.00 0.00 C ATOM 1120 C LEU A 77 -13.303 -14.522 -14.208 1.00 0.00 C ATOM 1121 O LEU A 77 -12.548 -13.687 -14.718 1.00 0.00 O ATOM 1122 CB LEU A 77 -12.716 -15.103 -11.843 1.00 0.00 C ATOM 1123 CG LEU A 77 -12.811 -16.283 -10.859 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.396 -15.818 -9.459 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.263 -16.788 -10.816 1.00 0.00 C ATOM 0 H LEU A 77 -10.834 -15.290 -14.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.412 -16.474 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.794 -14.549 -11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.541 -14.412 -11.672 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.149 -17.085 -11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.464 -16.654 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.370 -15.451 -9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.059 -15.018 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.337 -17.624 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.919 -15.982 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.564 -17.116 -11.811 1.00 0.00 H new ATOM 1137 N TYR A 78 -14.632 -14.488 -14.338 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.300 -13.445 -15.100 1.00 0.00 C ATOM 1139 C TYR A 78 -15.855 -12.410 -14.131 1.00 0.00 C ATOM 1140 O TYR A 78 -16.939 -12.591 -13.570 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.431 -14.047 -15.938 1.00 0.00 C ATOM 1142 CG TYR A 78 -16.969 -13.012 -16.900 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.331 -12.802 -18.129 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.104 -12.266 -16.563 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -16.832 -11.848 -19.022 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -18.603 -11.310 -17.456 1.00 0.00 C ATOM 1147 CZ TYR A 78 -17.968 -11.101 -18.685 1.00 0.00 C ATOM 1148 OH TYR A 78 -18.461 -10.160 -19.566 1.00 0.00 O ATOM 0 H TYR A 78 -15.262 -15.174 -13.923 1.00 0.00 H new ATOM 0 HA TYR A 78 -14.590 -12.970 -15.776 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.065 -14.913 -16.490 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.230 -14.399 -15.286 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.453 -13.376 -18.387 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -18.595 -12.428 -15.615 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.343 -11.688 -19.971 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.479 -10.734 -17.196 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.253 -9.732 -19.178 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.077 -11.350 -13.900 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.456 -10.310 -12.945 1.00 0.00 C ATOM 1160 C PHE A 79 -16.446 -9.340 -13.560 1.00 0.00 C ATOM 1161 O PHE A 79 -16.254 -8.886 -14.686 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.218 -9.541 -12.485 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.324 -10.446 -11.674 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.300 -11.160 -12.302 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.510 -10.559 -10.291 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.463 -11.990 -11.550 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.674 -11.392 -9.539 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.649 -12.108 -10.169 1.00 0.00 C ATOM 0 H PHE A 79 -14.182 -11.191 -14.362 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.926 -10.797 -12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.675 -9.158 -13.349 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.516 -8.679 -11.888 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.155 -11.071 -13.368 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.298 -10.004 -9.805 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.672 -12.541 -12.036 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.819 -11.483 -8.473 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.003 -12.751 -9.589 1.00 0.00 H new ATOM 1178 N THR A 80 -17.496 -9.010 -12.802 1.00 0.00 N ATOM 1179 CA THR A 80 -18.503 -8.058 -13.268 1.00 0.00 C ATOM 1180 C THR A 80 -17.928 -6.637 -13.237 1.00 0.00 C ATOM 1181 O THR A 80 -18.102 -5.866 -14.183 1.00 0.00 O ATOM 1182 CB THR A 80 -19.770 -8.159 -12.389 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.272 -9.489 -12.446 1.00 0.00 O ATOM 1184 CG2 THR A 80 -20.856 -7.193 -12.893 1.00 0.00 C ATOM 0 H THR A 80 -17.668 -9.386 -11.870 1.00 0.00 H new ATOM 0 HA THR A 80 -18.779 -8.296 -14.295 1.00 0.00 H new ATOM 0 HB THR A 80 -19.509 -7.895 -11.364 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.075 -9.560 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.740 -7.278 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.480 -6.171 -12.854 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.118 -7.445 -13.921 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.218 -6.316 -12.146 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.578 -5.002 -11.978 1.00 0.00 C ATOM 1194 C GLN A 81 -15.841 -4.932 -10.645 1.00 0.00 C ATOM 1195 O GLN A 81 -15.999 -5.815 -9.793 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.609 -3.853 -12.081 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.712 -4.032 -11.027 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.777 -2.955 -11.197 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.473 -1.764 -11.127 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.013 -3.304 -11.421 1.00 0.00 N ATOM 0 H GLN A 81 -17.072 -6.952 -11.362 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.857 -4.880 -12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.111 -2.894 -11.937 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.048 -3.838 -13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.163 -5.019 -11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.283 -3.976 -10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.262 -4.292 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.731 -2.589 -11.539 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.036 -3.879 -10.469 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.274 -3.693 -9.229 1.00 0.00 C ATOM 1211 C PHE A 82 -14.514 -2.305 -8.660 1.00 0.00 C ATOM 1212 O PHE A 82 -14.669 -1.339 -9.416 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.783 -3.841 -9.486 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.460 -5.215 -10.037 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -12.400 -5.412 -11.421 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.207 -6.280 -9.166 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -12.087 -6.674 -11.935 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.897 -7.545 -9.681 1.00 0.00 C ATOM 1219 CZ PHE A 82 -11.836 -7.740 -11.066 1.00 0.00 C ATOM 0 H PHE A 82 -14.895 -3.146 -11.165 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.609 -4.454 -8.524 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.454 -3.077 -10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -12.233 -3.679 -8.559 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.596 -4.589 -12.092 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.251 -6.127 -8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.039 -6.825 -13.003 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.705 -8.369 -9.010 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.595 -8.715 -11.463 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.518 -2.202 -7.328 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.711 -0.905 -6.661 1.00 0.00 C ATOM 1231 C LYS A 83 -13.835 -0.838 -5.412 1.00 0.00 C ATOM 1232 O LYS A 83 -13.669 -1.847 -4.715 1.00 0.00 O ATOM 1233 CB LYS A 83 -16.192 -0.713 -6.277 1.00 0.00 C ATOM 1234 CG LYS A 83 -17.067 -0.911 -7.519 1.00 0.00 C ATOM 1235 CD LYS A 83 -18.535 -0.717 -7.159 1.00 0.00 C ATOM 1236 CE LYS A 83 -19.379 -0.982 -8.399 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.834 -0.794 -8.088 1.00 0.00 N ATOM 0 H LYS A 83 -14.391 -2.990 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.425 -0.108 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.474 -1.426 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -16.346 0.284 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.778 -0.202 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.913 -1.910 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.820 -1.396 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.705 0.297 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.081 -0.307 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.205 -1.997 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.398 -0.978 -8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -21.117 -1.456 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.997 0.182 -7.769 1.00 0.00 H new ATOM 1251 N ALA A 84 -13.274 0.345 -5.131 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.411 0.520 -3.958 1.00 0.00 C ATOM 1253 C ALA A 84 -12.599 1.892 -3.336 1.00 0.00 C ATOM 1254 O ALA A 84 -12.695 2.899 -4.044 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.945 0.324 -4.346 1.00 0.00 C ATOM 0 H ALA A 84 -13.401 1.186 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.693 -0.232 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.315 0.457 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.805 -0.681 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.668 1.056 -5.104 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.625 1.924 -2.003 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.774 3.168 -1.261 1.00 0.00 C ATOM 1263 C GLU A 85 -12.194 3.014 0.147 1.00 0.00 C ATOM 1264 O GLU A 85 -11.959 1.896 0.596 1.00 0.00 O ATOM 1265 CB GLU A 85 -14.259 3.589 -1.213 1.00 0.00 C ATOM 1266 CG GLU A 85 -15.103 2.507 -0.492 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.608 2.872 -0.473 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.969 3.936 -0.966 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -17.377 2.071 0.036 1.00 0.00 O ATOM 0 H GLU A 85 -12.544 1.094 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.219 3.956 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.357 4.542 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.635 3.738 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.968 1.548 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.745 2.388 0.530 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.958 4.138 0.830 1.00 0.00 N ATOM 1277 CA VAL A 86 -11.395 4.114 2.195 1.00 0.00 C ATOM 1278 C VAL A 86 -12.246 4.942 3.147 1.00 0.00 C ATOM 1279 O VAL A 86 -13.023 5.797 2.710 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.944 4.632 2.204 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -9.065 3.712 1.354 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.885 6.065 1.637 1.00 0.00 C ATOM 0 H VAL A 86 -12.145 5.073 0.468 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.397 3.078 2.534 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.580 4.641 3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.039 4.080 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.091 2.703 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.438 3.697 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.854 6.419 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.257 6.067 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.502 6.724 2.248 1.00 0.00 H new ATOM 1292 N ARG A 87 -12.094 4.683 4.454 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.859 5.413 5.470 1.00 0.00 C ATOM 1294 C ARG A 87 -11.949 5.981 6.548 1.00 0.00 C ATOM 1295 O ARG A 87 -10.902 5.402 6.869 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.918 4.502 6.111 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.899 3.969 5.044 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.808 5.100 4.530 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.610 5.657 5.636 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.767 5.089 6.074 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -18.242 3.987 5.524 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -18.418 5.645 7.057 1.00 0.00 N ATOM 0 H ARG A 87 -11.455 3.981 4.828 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.358 6.243 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -13.430 3.667 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.467 5.055 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.341 3.537 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.508 3.171 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.202 5.886 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.467 4.719 3.750 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.282 6.507 6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.740 3.544 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -19.111 3.579 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -18.059 6.496 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -19.286 5.229 7.394 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.366 7.123 7.107 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.606 7.801 8.159 1.00 0.00 C ATOM 1318 C GLY A 88 -10.487 8.698 7.591 1.00 0.00 C ATOM 1319 O GLY A 88 -9.734 9.309 8.358 1.00 0.00 O ATOM 0 H GLY A 88 -13.230 7.597 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.284 8.407 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.169 7.057 8.825 1.00 0.00 H new ATOM 1323 N ALA A 89 -10.376 8.770 6.247 1.00 0.00 N ATOM 1324 CA ALA A 89 -9.343 9.590 5.605 1.00 0.00 C ATOM 1325 C ALA A 89 -9.668 9.868 4.141 1.00 0.00 C ATOM 1326 O ALA A 89 -10.639 9.334 3.595 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.980 8.914 5.721 1.00 0.00 C ATOM 0 H ALA A 89 -10.985 8.273 5.597 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.315 10.547 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.224 9.535 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.727 8.784 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.014 7.940 5.233 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.830 10.700 3.510 1.00 0.00 N ATOM 1334 CA GLU A 90 -9.001 11.050 2.098 1.00 0.00 C ATOM 1335 C GLU A 90 -7.966 10.321 1.237 1.00 0.00 C ATOM 1336 O GLU A 90 -6.861 10.027 1.700 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.890 12.579 1.899 1.00 0.00 C ATOM 1338 CG GLU A 90 -7.516 13.088 2.385 1.00 0.00 C ATOM 1339 CD GLU A 90 -7.444 14.619 2.302 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.999 15.179 1.365 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.833 15.208 3.179 1.00 0.00 O ATOM 0 H GLU A 90 -8.027 11.143 3.957 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.996 10.735 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.024 12.825 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.686 13.082 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.346 12.766 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.724 12.648 1.778 1.00 0.00 H new ATOM 1348 N ILE A 91 -8.353 10.008 -0.003 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.482 9.271 -0.927 1.00 0.00 C ATOM 1350 C ILE A 91 -6.580 10.231 -1.702 1.00 0.00 C ATOM 1351 O ILE A 91 -7.058 11.186 -2.325 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.336 8.418 -1.911 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.195 7.421 -1.106 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.411 7.627 -2.871 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -10.268 6.795 -2.007 1.00 0.00 C ATOM 0 H ILE A 91 -9.264 10.253 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.849 8.603 -0.342 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.977 9.081 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.561 6.640 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.668 7.932 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.018 7.034 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.798 8.324 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.766 6.966 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.867 6.094 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.912 7.579 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.788 6.267 -2.831 1.00 0.00 H new ATOM 1367 N GLU A 92 -5.278 9.938 -1.688 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.299 10.733 -2.422 1.00 0.00 C ATOM 1369 C GLU A 92 -4.266 10.302 -3.884 1.00 0.00 C ATOM 1370 O GLU A 92 -4.199 11.143 -4.787 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.908 10.555 -1.806 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.901 11.087 -0.372 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.521 10.892 0.245 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.995 9.796 0.138 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -1.009 11.842 0.814 1.00 0.00 O ATOM 0 H GLU A 92 -4.879 9.153 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.587 11.783 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.630 9.501 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.166 11.085 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.166 12.144 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.652 10.566 0.222 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.347 8.979 -4.111 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.363 8.430 -5.461 1.00 0.00 C ATOM 1384 C TYR A 93 -4.779 6.958 -5.437 1.00 0.00 C ATOM 1385 O TYR A 93 -4.261 6.173 -4.636 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.980 8.568 -6.105 1.00 0.00 C ATOM 1387 CG TYR A 93 -3.087 8.375 -7.603 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -3.396 9.467 -8.423 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.879 7.113 -8.168 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -3.496 9.297 -9.807 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -2.982 6.944 -9.554 1.00 0.00 C ATOM 1392 CZ TYR A 93 -3.290 8.037 -10.374 1.00 0.00 C ATOM 1393 OH TYR A 93 -3.388 7.869 -11.740 1.00 0.00 O ATOM 0 H TYR A 93 -4.402 8.278 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.089 8.990 -6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.563 9.551 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.297 7.831 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.557 10.441 -7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.639 6.270 -7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.733 10.141 -10.438 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.824 5.969 -9.992 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.215 6.932 -11.968 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.699 6.592 -6.331 1.00 0.00 N ATOM 1404 CA ALA A 94 -6.176 5.210 -6.438 1.00 0.00 C ATOM 1405 C ALA A 94 -6.022 4.709 -7.870 1.00 0.00 C ATOM 1406 O ALA A 94 -6.363 5.421 -8.823 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.647 5.126 -6.018 1.00 0.00 C ATOM 0 H ALA A 94 -6.131 7.235 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.579 4.584 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.991 4.095 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.750 5.461 -4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.248 5.763 -6.668 1.00 0.00 H new ATOM 1413 N MET A 95 -5.506 3.483 -8.020 1.00 0.00 N ATOM 1414 CA MET A 95 -5.303 2.892 -9.344 1.00 0.00 C ATOM 1415 C MET A 95 -5.149 1.374 -9.256 1.00 0.00 C ATOM 1416 O MET A 95 -5.006 0.821 -8.165 1.00 0.00 O ATOM 1417 CB MET A 95 -4.077 3.529 -10.046 1.00 0.00 C ATOM 1418 CG MET A 95 -2.779 3.196 -9.280 1.00 0.00 C ATOM 1419 SD MET A 95 -1.363 3.949 -10.124 1.00 0.00 S ATOM 1420 CE MET A 95 -1.405 2.926 -11.617 1.00 0.00 C ATOM 0 H MET A 95 -5.223 2.885 -7.244 1.00 0.00 H new ATOM 0 HA MET A 95 -6.189 3.102 -9.943 1.00 0.00 H new ATOM 0 HB2 MET A 95 -4.006 3.162 -11.070 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.205 4.610 -10.103 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.844 3.566 -8.257 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.647 2.116 -9.221 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.424 2.936 -12.093 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.668 1.902 -11.349 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.148 3.322 -12.309 1.00 0.00 H new ATOM 1430 N ALA A 96 -5.154 0.722 -10.416 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.988 -0.726 -10.493 1.00 0.00 C ATOM 1432 C ALA A 96 -4.005 -1.083 -11.599 1.00 0.00 C ATOM 1433 O ALA A 96 -3.946 -0.399 -12.624 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.332 -1.398 -10.756 1.00 0.00 C ATOM 0 H ALA A 96 -5.272 1.178 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.595 -1.083 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.194 -2.478 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.022 -1.161 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.742 -1.036 -11.699 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.231 -2.152 -11.385 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.243 -2.595 -12.377 1.00 0.00 C ATOM 1442 C TYR A 97 -2.665 -3.904 -13.026 1.00 0.00 C ATOM 1443 O TYR A 97 -2.575 -4.966 -12.406 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.884 -2.790 -11.718 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.294 -1.458 -11.307 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.369 -1.033 -9.973 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.346 -0.657 -12.258 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.194 0.192 -9.597 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.906 0.566 -11.881 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.832 0.991 -10.552 1.00 0.00 C ATOM 1451 OH TYR A 97 1.388 2.197 -10.181 1.00 0.00 O ATOM 0 H TYR A 97 -3.268 -2.723 -10.541 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.178 -1.822 -13.143 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.987 -3.433 -10.844 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.208 -3.295 -12.408 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.861 -1.650 -9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.407 -0.984 -13.285 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.136 0.520 -8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.397 1.184 -12.618 1.00 0.00 H new ATOM 0 HH TYR A 97 0.675 2.845 -10.003 1.00 0.00 H new ATOM 1461 N SER A 98 -3.082 -3.829 -14.294 1.00 0.00 N ATOM 1462 CA SER A 98 -3.474 -5.024 -15.045 1.00 0.00 C ATOM 1463 C SER A 98 -2.274 -5.954 -15.228 1.00 0.00 C ATOM 1464 O SER A 98 -2.399 -7.177 -15.124 1.00 0.00 O ATOM 1465 CB SER A 98 -4.046 -4.632 -16.405 1.00 0.00 C ATOM 1466 OG SER A 98 -5.240 -3.885 -16.213 1.00 0.00 O ATOM 0 H SER A 98 -3.156 -2.958 -14.819 1.00 0.00 H new ATOM 0 HA SER A 98 -4.243 -5.551 -14.480 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.319 -4.041 -16.962 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.252 -5.524 -16.997 1.00 0.00 H new ATOM 0 HG SER A 98 -5.918 -4.182 -16.855 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.110 -5.352 -15.495 1.00 0.00 N ATOM 1473 CA LYS A 99 0.132 -6.098 -15.691 1.00 0.00 C ATOM 1474 C LYS A 99 1.297 -5.366 -15.010 1.00 0.00 C ATOM 1475 O LYS A 99 1.461 -4.153 -15.183 1.00 0.00 O ATOM 1476 CB LYS A 99 0.413 -6.251 -17.199 1.00 0.00 C ATOM 1477 CG LYS A 99 1.623 -7.171 -17.434 1.00 0.00 C ATOM 1478 CD LYS A 99 1.235 -8.627 -17.152 1.00 0.00 C ATOM 1479 CE LYS A 99 2.366 -9.553 -17.598 1.00 0.00 C ATOM 1480 NZ LYS A 99 3.574 -9.303 -16.762 1.00 0.00 N ATOM 0 H LYS A 99 -1.005 -4.341 -15.580 1.00 0.00 H new ATOM 0 HA LYS A 99 0.030 -7.087 -15.245 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.465 -6.661 -17.698 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.602 -5.272 -17.640 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.972 -7.071 -18.462 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.448 -6.874 -16.787 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.038 -8.762 -16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.316 -8.878 -17.681 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.056 -10.594 -17.505 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.597 -9.382 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.270 -10.059 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.993 -8.387 -17.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.304 -9.288 -15.758 1.00 0.00 H new ATOM 1494 N ALA A 100 2.092 -6.109 -14.227 1.00 0.00 N ATOM 1495 CA ALA A 100 3.233 -5.526 -13.507 1.00 0.00 C ATOM 1496 C ALA A 100 4.467 -5.439 -14.406 1.00 0.00 C ATOM 1497 O ALA A 100 4.820 -6.407 -15.085 1.00 0.00 O ATOM 1498 CB ALA A 100 3.554 -6.359 -12.264 1.00 0.00 C ATOM 0 H ALA A 100 1.967 -7.110 -14.077 1.00 0.00 H new ATOM 0 HA ALA A 100 2.958 -4.516 -13.204 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.401 -5.917 -11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.687 -6.377 -11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.803 -7.377 -12.563 1.00 0.00 H new ATOM 1599 N ASP A 107 4.450 -1.850 -17.693 1.00 0.00 N ATOM 1600 CA ASP A 107 3.318 -1.764 -16.759 1.00 0.00 C ATOM 1601 C ASP A 107 2.048 -1.296 -17.460 1.00 0.00 C ATOM 1602 O ASP A 107 1.983 -0.158 -17.938 1.00 0.00 O ATOM 1603 CB ASP A 107 3.642 -0.793 -15.612 1.00 0.00 C ATOM 1604 CG ASP A 107 2.500 -0.770 -14.605 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.330 -1.758 -13.915 1.00 0.00 O ATOM 1606 OD2 ASP A 107 1.808 0.234 -14.546 1.00 0.00 O ATOM 0 HA ASP A 107 3.150 -2.765 -16.362 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.566 -1.096 -15.119 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.807 0.209 -16.009 1.00 0.00 H new ATOM 1611 N VAL A 108 1.017 -2.152 -17.459 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.281 -1.781 -18.041 1.00 0.00 C ATOM 1613 C VAL A 108 -1.309 -1.523 -16.893 1.00 0.00 C ATOM 1614 O VAL A 108 -1.778 -2.477 -16.268 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.793 -2.915 -18.970 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.138 -2.516 -19.601 1.00 0.00 C ATOM 1617 CG2 VAL A 108 0.225 -3.168 -20.092 1.00 0.00 C ATOM 0 H VAL A 108 1.054 -3.093 -17.068 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.165 -0.873 -18.632 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.923 -3.819 -18.375 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.488 -3.319 -20.250 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.871 -2.341 -18.814 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.009 -1.606 -20.186 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.139 -3.965 -20.741 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.357 -2.257 -20.675 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.180 -3.462 -19.657 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.682 -0.249 -16.611 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.673 0.084 -15.547 1.00 0.00 C ATOM 1629 C PRO A 109 -4.104 0.172 -16.082 1.00 0.00 C ATOM 1630 O PRO A 109 -4.316 0.559 -17.237 1.00 0.00 O ATOM 1631 CB PRO A 109 -2.198 1.452 -15.094 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.746 2.116 -16.359 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.193 1.003 -17.262 1.00 0.00 C ATOM 0 HA PRO A 109 -2.716 -0.671 -14.762 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.999 2.013 -14.613 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.385 1.373 -14.372 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.575 2.633 -16.843 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.981 2.864 -16.152 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.562 1.095 -18.284 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.105 1.031 -17.312 1.00 0.00 H new ATOM 1641 N LEU A 110 -5.084 -0.101 -15.204 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.501 0.050 -15.575 1.00 0.00 C ATOM 1643 C LEU A 110 -6.865 1.524 -15.666 1.00 0.00 C ATOM 1644 O LEU A 110 -6.258 2.361 -14.988 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.433 -0.643 -14.565 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.336 -2.178 -14.690 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -8.092 -2.834 -13.521 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.967 -2.637 -16.024 1.00 0.00 C ATOM 0 H LEU A 110 -4.926 -0.422 -14.249 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.635 -0.427 -16.546 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.169 -0.339 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.461 -0.324 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.287 -2.474 -14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.025 -3.919 -13.607 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.648 -2.517 -12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.139 -2.532 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.895 -3.722 -16.106 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.015 -2.339 -16.052 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.436 -2.174 -16.856 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.861 1.838 -16.504 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.307 3.208 -16.677 1.00 0.00 C ATOM 1662 C LYS A 111 -9.044 3.677 -15.433 1.00 0.00 C ATOM 1663 O LYS A 111 -9.946 3.000 -14.951 1.00 0.00 O ATOM 1664 CB LYS A 111 -9.218 3.307 -17.903 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.464 4.777 -18.250 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.094 4.882 -19.653 1.00 0.00 C ATOM 1667 CE LYS A 111 -9.018 4.678 -20.743 1.00 0.00 C ATOM 1668 NZ LYS A 111 -8.945 3.232 -21.131 1.00 0.00 N ATOM 0 H LYS A 111 -8.367 1.156 -17.068 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.439 3.849 -16.830 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.760 2.796 -18.750 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.166 2.807 -17.704 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.124 5.230 -17.510 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.525 5.330 -18.220 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.879 4.134 -19.763 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.564 5.858 -19.775 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.255 5.285 -21.617 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.048 5.013 -20.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.989 2.869 -20.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.638 2.689 -20.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.158 3.133 -22.144 1.00 0.00 H new ATOM 1682 N THR A 112 -8.658 4.845 -14.931 1.00 0.00 N ATOM 1683 CA THR A 112 -9.289 5.431 -13.743 1.00 0.00 C ATOM 1684 C THR A 112 -10.780 5.696 -14.018 1.00 0.00 C ATOM 1685 O THR A 112 -11.623 5.553 -13.129 1.00 0.00 O ATOM 1686 CB THR A 112 -8.567 6.742 -13.356 1.00 0.00 C ATOM 1687 OG1 THR A 112 -7.196 6.461 -13.108 1.00 0.00 O ATOM 1688 CG2 THR A 112 -9.189 7.340 -12.081 1.00 0.00 C ATOM 0 H THR A 112 -7.908 5.411 -15.327 1.00 0.00 H new ATOM 0 HA THR A 112 -9.208 4.731 -12.911 1.00 0.00 H new ATOM 0 HB THR A 112 -8.669 7.456 -14.173 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.731 7.289 -12.864 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.670 8.263 -11.821 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.243 7.554 -12.256 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.095 6.628 -11.261 1.00 0.00 H new ATOM 1696 N GLU A 113 -11.069 6.128 -15.243 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.428 6.480 -15.658 1.00 0.00 C ATOM 1698 C GLU A 113 -13.396 5.289 -15.587 1.00 0.00 C ATOM 1699 O GLU A 113 -14.614 5.490 -15.597 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.410 7.039 -17.080 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.694 8.389 -17.084 1.00 0.00 C ATOM 1702 CD GLU A 113 -11.677 8.973 -18.493 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -12.719 8.969 -19.130 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -10.623 9.418 -18.915 1.00 0.00 O ATOM 0 H GLU A 113 -10.370 6.244 -15.977 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.788 7.235 -14.960 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.903 6.344 -17.750 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.429 7.154 -17.451 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.196 9.077 -16.404 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.674 8.269 -16.720 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.860 4.055 -15.570 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.718 2.858 -15.560 1.00 0.00 C ATOM 1713 C GLU A 114 -14.566 2.767 -14.255 1.00 0.00 C ATOM 1714 O GLU A 114 -15.624 2.132 -14.244 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.869 1.574 -15.809 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.090 1.160 -14.555 1.00 0.00 C ATOM 1717 CD GLU A 114 -10.903 0.289 -14.946 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.190 0.670 -15.861 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -10.720 -0.745 -14.323 1.00 0.00 O ATOM 0 H GLU A 114 -11.858 3.863 -15.563 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.431 2.942 -16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.523 0.759 -16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.173 1.751 -16.629 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.743 2.046 -14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.743 0.615 -13.874 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.122 3.472 -13.192 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.877 3.538 -11.926 1.00 0.00 C ATOM 1728 C PHE A 115 -14.609 4.867 -11.195 1.00 0.00 C ATOM 1729 O PHE A 115 -13.632 5.562 -11.489 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.561 2.330 -11.003 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.109 2.355 -10.541 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.756 3.073 -9.395 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.134 1.653 -11.251 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.424 3.092 -8.961 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.801 1.671 -10.821 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.447 2.392 -9.676 1.00 0.00 C ATOM 0 H PHE A 115 -13.249 4.000 -13.187 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.937 3.490 -12.177 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.222 2.349 -10.136 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.760 1.400 -11.536 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.511 3.614 -8.843 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.408 1.095 -12.134 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.152 3.647 -8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.047 1.129 -11.373 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.419 2.408 -9.344 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.498 5.211 -10.257 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.385 6.458 -9.487 1.00 0.00 C ATOM 1748 C GLU A 116 -15.208 6.177 -7.991 1.00 0.00 C ATOM 1749 O GLU A 116 -15.981 5.422 -7.393 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.635 7.344 -9.723 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.534 8.667 -8.908 1.00 0.00 C ATOM 1752 CD GLU A 116 -17.662 9.657 -9.281 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -18.483 9.328 -10.133 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -17.682 10.732 -8.705 1.00 0.00 O ATOM 0 H GLU A 116 -16.308 4.642 -10.011 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.499 6.989 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.730 7.572 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.533 6.799 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.585 8.443 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.566 9.133 -9.090 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.217 6.846 -7.393 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.965 6.736 -5.957 1.00 0.00 C ATOM 1763 C VAL A 117 -13.987 8.132 -5.327 1.00 0.00 C ATOM 1764 O VAL A 117 -13.192 9.004 -5.692 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.599 6.051 -5.695 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.350 5.909 -4.183 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -12.585 4.659 -6.336 1.00 0.00 C ATOM 0 H VAL A 117 -13.577 7.470 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.745 6.124 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.814 6.669 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.387 5.426 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.346 6.896 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.141 5.304 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.623 4.182 -6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.381 4.052 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.741 4.752 -7.411 1.00 0.00 H new ATOM 1777 N THR A 118 -14.891 8.315 -4.376 1.00 0.00 N ATOM 1778 CA THR A 118 -15.035 9.579 -3.660 1.00 0.00 C ATOM 1779 C THR A 118 -14.540 9.426 -2.224 1.00 0.00 C ATOM 1780 O THR A 118 -14.467 8.311 -1.699 1.00 0.00 O ATOM 1781 CB THR A 118 -16.505 10.038 -3.670 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.989 10.030 -5.007 1.00 0.00 O ATOM 1783 CG2 THR A 118 -16.613 11.459 -3.104 1.00 0.00 C ATOM 0 H THR A 118 -15.547 7.593 -4.077 1.00 0.00 H new ATOM 0 HA THR A 118 -14.433 10.336 -4.163 1.00 0.00 H new ATOM 0 HB THR A 118 -17.097 9.360 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.925 10.320 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.656 11.777 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.240 11.472 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.020 12.140 -3.715 1.00 0.00 H new ATOM 1791 N LYS A 119 -14.176 10.551 -1.614 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.649 10.559 -0.248 1.00 0.00 C ATOM 1793 C LYS A 119 -14.630 9.930 0.758 1.00 0.00 C ATOM 1794 O LYS A 119 -14.225 9.541 1.860 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.308 12.005 0.174 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.592 12.864 0.234 1.00 0.00 C ATOM 1797 CD LYS A 119 -14.249 14.291 0.681 1.00 0.00 C ATOM 1798 CE LYS A 119 -13.606 15.051 -0.479 1.00 0.00 C ATOM 1799 NZ LYS A 119 -13.348 16.461 -0.072 1.00 0.00 N ATOM 0 H LYS A 119 -14.236 11.474 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.745 9.951 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.819 12.001 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.603 12.441 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.071 12.886 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.305 12.419 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.151 14.806 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.569 14.263 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.672 14.569 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.261 15.027 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -12.911 16.976 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.246 16.918 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.707 16.474 0.747 1.00 0.00 H new ATOM 1813 N THR A 120 -15.924 9.895 0.399 1.00 0.00 N ATOM 1814 CA THR A 120 -16.956 9.385 1.311 1.00 0.00 C ATOM 1815 C THR A 120 -17.980 8.453 0.614 1.00 0.00 C ATOM 1816 O THR A 120 -18.951 8.019 1.245 1.00 0.00 O ATOM 1817 CB THR A 120 -17.662 10.575 1.986 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.548 10.099 2.990 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.445 11.399 0.949 1.00 0.00 C ATOM 0 H THR A 120 -16.275 10.210 -0.505 1.00 0.00 H new ATOM 0 HA THR A 120 -16.461 8.769 2.062 1.00 0.00 H new ATOM 0 HB THR A 120 -16.907 11.216 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.913 9.231 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.937 12.235 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.758 11.779 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.195 10.767 0.473 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.764 8.166 -0.681 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.679 7.305 -1.444 1.00 0.00 C ATOM 1829 C ALA A 121 -17.973 6.675 -2.641 1.00 0.00 C ATOM 1830 O ALA A 121 -16.880 7.087 -3.006 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.887 8.113 -1.921 1.00 0.00 C ATOM 0 H ALA A 121 -16.969 8.515 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.016 6.505 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.558 7.465 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.415 8.521 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.549 8.930 -2.559 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.615 5.666 -3.242 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.060 4.976 -4.411 1.00 0.00 C ATOM 1839 C VAL A 122 -19.172 4.685 -5.439 1.00 0.00 C ATOM 1840 O VAL A 122 -20.288 4.311 -5.066 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.347 3.670 -3.967 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -18.349 2.709 -3.313 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -16.692 2.986 -5.179 1.00 0.00 C ATOM 0 H VAL A 122 -19.521 5.309 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.323 5.620 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 122 -16.577 3.928 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -17.834 1.798 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -18.793 3.186 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -19.133 2.459 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -16.195 2.071 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -17.457 2.742 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -15.959 3.659 -5.625 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.852 4.870 -6.730 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.824 4.639 -7.808 1.00 0.00 C ATOM 1855 C ALA A 123 -19.128 4.181 -9.086 1.00 0.00 C ATOM 1856 O ALA A 123 -17.979 4.536 -9.334 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.620 5.918 -8.081 1.00 0.00 C ATOM 0 H ALA A 123 -17.933 5.177 -7.050 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.504 3.851 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.337 5.736 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.152 6.215 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.938 6.714 -8.379 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.836 3.374 -9.884 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.297 2.839 -11.137 1.00 0.00 C ATOM 1865 C HIS A 124 -19.444 3.824 -12.300 1.00 0.00 C ATOM 1866 O HIS A 124 -20.308 4.705 -12.283 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.983 1.500 -11.495 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.477 1.695 -11.669 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.339 1.806 -10.588 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.265 1.795 -12.789 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.582 1.966 -11.076 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.592 1.967 -12.413 1.00 0.00 N ATOM 0 H HIS A 124 -20.790 3.076 -9.681 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.232 2.672 -10.978 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.554 1.099 -12.413 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.795 0.768 -10.710 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.908 1.747 -13.807 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.464 2.080 -10.463 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.401 2.072 -13.026 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.631 3.606 -13.331 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.681 4.398 -14.557 1.00 0.00 C ATOM 1882 C ARG A 125 -19.120 3.508 -15.739 1.00 0.00 C ATOM 1883 O ARG A 125 -18.904 2.291 -15.694 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.304 5.001 -14.856 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.944 6.056 -13.798 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.745 7.341 -14.057 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.254 8.435 -13.196 1.00 0.00 N ATOM 1888 CZ ARG A 125 -17.779 9.688 -13.216 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -18.776 10.003 -14.022 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -17.282 10.601 -12.426 1.00 0.00 N ATOM 0 H ARG A 125 -17.919 2.875 -13.340 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.402 5.205 -14.422 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.549 4.215 -14.867 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.305 5.455 -15.847 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.162 5.674 -12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.875 6.269 -13.831 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.657 7.627 -15.105 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.803 7.163 -13.863 1.00 0.00 H new ATOM 0 HE ARG A 125 -16.484 8.241 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -19.168 9.299 -14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.154 10.950 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -16.508 10.370 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -17.668 11.545 -12.432 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.712 4.077 -16.812 1.00 0.00 N ATOM 1905 CA PRO A 126 -20.131 3.268 -18.002 1.00 0.00 C ATOM 1906 C PRO A 126 -18.919 2.736 -18.756 1.00 0.00 C ATOM 1907 O PRO A 126 -17.864 3.382 -18.780 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.918 4.263 -18.861 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.378 5.602 -18.488 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.038 5.519 -17.003 1.00 0.00 C ATOM 0 HA PRO A 126 -20.717 2.391 -17.729 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.780 4.063 -19.924 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.988 4.198 -18.661 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -19.494 5.844 -19.078 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.112 6.385 -18.677 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.195 6.161 -16.746 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.876 5.829 -16.379 1.00 0.00 H new ATOM 1918 N GLY A 127 -19.065 1.548 -19.350 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.962 0.917 -20.083 1.00 0.00 C ATOM 1920 C GLY A 127 -16.957 0.230 -19.133 1.00 0.00 C ATOM 1921 O GLY A 127 -15.836 -0.091 -19.539 1.00 0.00 O ATOM 0 H GLY A 127 -19.929 1.007 -19.339 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.363 0.181 -20.780 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.444 1.670 -20.677 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.361 0.029 -17.864 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.498 -0.590 -16.860 1.00 0.00 C ATOM 1927 C ALA A 128 -15.955 -1.928 -17.351 1.00 0.00 C ATOM 1928 O ALA A 128 -16.588 -2.607 -18.166 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.266 -0.791 -15.553 1.00 0.00 C ATOM 0 H ALA A 128 -18.284 0.290 -17.517 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.656 0.079 -16.684 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.612 -1.253 -14.814 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.610 0.174 -15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.125 -1.438 -15.732 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.764 -2.281 -16.865 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.094 -3.522 -17.258 1.00 0.00 C ATOM 1937 C PHE A 129 -14.693 -4.717 -16.529 1.00 0.00 C ATOM 1938 O PHE A 129 -15.129 -4.595 -15.380 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.596 -3.430 -16.960 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.957 -2.426 -17.891 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.884 -1.079 -17.522 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.434 -2.844 -19.120 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.292 -0.147 -18.383 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.842 -1.913 -19.982 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.770 -0.565 -19.612 1.00 0.00 C ATOM 0 H PHE A 129 -14.240 -1.720 -16.193 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.240 -3.662 -18.329 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.438 -3.132 -15.923 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.129 -4.407 -17.086 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.285 -0.757 -16.572 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.487 -3.885 -19.403 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.238 0.894 -18.099 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.441 -2.235 -20.932 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.311 0.153 -20.276 1.00 0.00 H new ATOM 1955 N LYS A 130 -14.723 -5.871 -17.210 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.286 -7.094 -16.622 1.00 0.00 C ATOM 1957 C LYS A 130 -14.443 -8.326 -16.963 1.00 0.00 C ATOM 1958 O LYS A 130 -14.029 -9.067 -16.066 1.00 0.00 O ATOM 1959 CB LYS A 130 -16.757 -7.319 -17.075 1.00 0.00 C ATOM 1960 CG LYS A 130 -16.889 -7.219 -18.614 1.00 0.00 C ATOM 1961 CD LYS A 130 -18.375 -7.026 -19.011 1.00 0.00 C ATOM 1962 CE LYS A 130 -18.720 -5.529 -19.068 1.00 0.00 C ATOM 1963 NZ LYS A 130 -18.927 -5.013 -17.686 1.00 0.00 N ATOM 0 H LYS A 130 -14.368 -5.983 -18.160 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.272 -6.956 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.098 -8.299 -16.741 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.403 -6.579 -16.603 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.294 -6.384 -18.984 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -16.495 -8.122 -19.080 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.563 -7.487 -19.981 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.020 -7.528 -18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -17.916 -4.978 -19.556 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.620 -5.375 -19.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -19.586 -4.209 -17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -19.323 -5.767 -17.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -18.016 -4.702 -17.292 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.207 -8.542 -18.260 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.429 -9.692 -18.728 1.00 0.00 C ATOM 1979 C ALA A 131 -11.995 -9.645 -18.204 1.00 0.00 C ATOM 1980 O ALA A 131 -11.412 -10.682 -17.870 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.417 -9.730 -20.257 1.00 0.00 C ATOM 0 H ALA A 131 -14.545 -7.934 -19.006 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.903 -10.595 -18.343 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.836 -10.588 -20.595 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.439 -9.815 -20.627 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.967 -8.814 -20.640 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.421 -8.441 -18.181 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.032 -8.244 -17.759 1.00 0.00 C ATOM 1989 C GLU A 132 -9.894 -8.291 -16.233 1.00 0.00 C ATOM 1990 O GLU A 132 -10.731 -7.752 -15.507 1.00 0.00 O ATOM 1991 CB GLU A 132 -9.517 -6.903 -18.299 1.00 0.00 C ATOM 1992 CG GLU A 132 -7.997 -6.804 -18.096 1.00 0.00 C ATOM 1993 CD GLU A 132 -7.459 -5.490 -18.675 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -7.957 -5.061 -19.707 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -6.553 -4.933 -18.077 1.00 0.00 O ATOM 0 H GLU A 132 -11.900 -7.582 -18.451 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.432 -9.058 -18.167 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.758 -6.812 -19.358 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.015 -6.080 -17.787 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.762 -6.862 -17.033 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.505 -7.649 -18.578 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.810 -8.927 -15.765 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.525 -9.036 -14.328 1.00 0.00 C ATOM 2004 C LEU A 133 -7.304 -8.191 -13.973 1.00 0.00 C ATOM 2005 O LEU A 133 -6.493 -7.875 -14.851 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.285 -10.510 -13.925 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.118 -11.130 -14.770 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -6.342 -12.151 -13.926 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -7.688 -11.842 -16.015 1.00 0.00 C ATOM 0 H LEU A 133 -8.115 -9.374 -16.363 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.390 -8.666 -13.777 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.043 -10.568 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.197 -11.087 -14.076 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.450 -10.326 -15.080 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -5.534 -12.576 -14.521 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -5.925 -11.656 -13.049 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -7.015 -12.947 -13.608 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.871 -12.269 -16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.365 -12.637 -15.702 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.232 -11.123 -16.628 1.00 0.00 H new ATOM 2021 N SER A 134 -7.206 -7.772 -12.697 1.00 0.00 N ATOM 2022 CA SER A 134 -6.113 -6.899 -12.271 1.00 0.00 C ATOM 2023 C SER A 134 -6.036 -6.781 -10.744 1.00 0.00 C ATOM 2024 O SER A 134 -6.860 -7.345 -10.021 1.00 0.00 O ATOM 2025 CB SER A 134 -6.306 -5.514 -12.890 1.00 0.00 C ATOM 2026 OG SER A 134 -5.221 -4.675 -12.538 1.00 0.00 O ATOM 0 H SER A 134 -7.863 -8.023 -11.958 1.00 0.00 H new ATOM 0 HA SER A 134 -5.175 -7.338 -12.612 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.376 -5.597 -13.975 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.242 -5.078 -12.542 1.00 0.00 H new ATOM 0 HG SER A 134 -5.349 -3.790 -12.938 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.050 -6.004 -10.274 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.859 -5.750 -8.842 1.00 0.00 C ATOM 2034 C LYS A 135 -5.098 -4.275 -8.552 1.00 0.00 C ATOM 2035 O LYS A 135 -4.877 -3.425 -9.417 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.429 -6.127 -8.392 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.379 -5.446 -9.297 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.966 -5.715 -8.761 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.702 -4.834 -7.534 1.00 0.00 C ATOM 2040 NZ LYS A 135 0.717 -4.986 -7.108 1.00 0.00 N ATOM 0 H LYS A 135 -4.368 -5.538 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.570 -6.365 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.276 -5.824 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.303 -7.209 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.467 -5.822 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.563 -4.372 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.862 -6.767 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.227 -5.508 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.912 -3.791 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -1.369 -5.117 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.896 -4.388 -6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.902 -5.980 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.345 -4.696 -7.884 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.574 -3.978 -7.337 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.877 -2.596 -6.947 1.00 0.00 C ATOM 2056 C LEU A 136 -4.935 -2.099 -5.858 1.00 0.00 C ATOM 2057 O LEU A 136 -4.555 -2.851 -4.956 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.328 -2.473 -6.462 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.320 -2.917 -7.578 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.517 -4.446 -7.541 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -9.677 -2.219 -7.361 1.00 0.00 C ATOM 0 H LEU A 136 -5.757 -4.671 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.738 -1.976 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.473 -3.088 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.534 -1.442 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.911 -2.638 -8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.213 -4.742 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.559 -4.940 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.919 -4.738 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -10.374 -2.528 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -10.077 -2.497 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -9.541 -1.138 -7.403 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.598 -0.806 -5.932 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.742 -0.167 -4.943 1.00 0.00 C ATOM 2075 C VAL A 137 -4.260 1.246 -4.633 1.00 0.00 C ATOM 2076 O VAL A 137 -4.470 2.057 -5.540 1.00 0.00 O ATOM 2077 CB VAL A 137 -2.274 -0.131 -5.446 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -2.161 0.707 -6.728 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -1.359 0.458 -4.362 1.00 0.00 C ATOM 0 H VAL A 137 -4.912 -0.183 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.766 -0.747 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.962 -1.152 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.124 0.720 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.789 0.270 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.489 1.727 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.331 0.479 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.681 1.472 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.414 -0.158 -3.465 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.500 1.502 -3.350 1.00 0.00 N ATOM 2090 CA ILE A 138 -5.031 2.793 -2.898 1.00 0.00 C ATOM 2091 C ILE A 138 -4.100 3.431 -1.854 1.00 0.00 C ATOM 2092 O ILE A 138 -3.790 2.816 -0.828 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.458 2.612 -2.297 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -7.407 1.957 -3.343 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -7.037 3.983 -1.882 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -7.244 0.429 -3.341 1.00 0.00 C ATOM 0 H ILE A 138 -4.336 0.832 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 138 -5.090 3.456 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 138 -6.382 1.966 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.441 2.218 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -7.189 2.350 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -8.034 3.845 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -6.389 4.440 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -7.097 4.632 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.916 -0.010 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -6.214 0.173 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -7.486 0.039 -2.353 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.724 4.688 -2.100 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.900 5.455 -1.159 1.00 0.00 C ATOM 2110 C VAL A 139 -3.739 6.614 -0.617 1.00 0.00 C ATOM 2111 O VAL A 139 -4.264 7.418 -1.392 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.626 5.989 -1.872 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.761 6.808 -0.894 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.799 4.807 -2.400 1.00 0.00 C ATOM 0 H VAL A 139 -3.977 5.199 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.579 4.817 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.935 6.630 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.126 7.173 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.337 7.654 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.459 6.176 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.094 5.182 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.507 4.167 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -1.396 4.232 -3.108 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.904 6.658 0.711 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.736 7.685 1.347 1.00 0.00 C ATOM 2126 C ALA A 140 -3.997 8.397 2.475 1.00 0.00 C ATOM 2127 O ALA A 140 -3.210 7.788 3.204 1.00 0.00 O ATOM 2128 CB ALA A 140 -6.026 7.052 1.885 1.00 0.00 C ATOM 0 H ALA A 140 -3.476 5.999 1.361 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.979 8.430 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.639 7.820 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.580 6.599 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.777 6.286 2.619 1.00 0.00 H new ATOM 2134 N LYS A 141 -4.276 9.698 2.613 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.674 10.522 3.650 1.00 0.00 C ATOM 2136 C LYS A 141 -4.620 10.644 4.834 1.00 0.00 C ATOM 2137 O LYS A 141 -5.817 10.892 4.654 1.00 0.00 O ATOM 2138 CB LYS A 141 -3.387 11.919 3.106 1.00 0.00 C ATOM 2139 CG LYS A 141 -2.477 12.672 4.086 1.00 0.00 C ATOM 2140 CD LYS A 141 -2.364 14.154 3.681 1.00 0.00 C ATOM 2141 CE LYS A 141 -1.499 14.291 2.425 1.00 0.00 C ATOM 2142 NZ LYS A 141 -1.340 15.731 2.082 1.00 0.00 N ATOM 0 H LYS A 141 -4.924 10.202 2.008 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.744 10.051 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.909 11.849 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -4.320 12.465 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.877 12.594 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.488 12.215 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -3.356 14.565 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.928 14.730 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.522 13.837 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -1.960 13.758 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -0.752 15.822 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -2.275 16.151 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.882 16.228 2.873 1.00 0.00 H new ATOM 2156 N ALA A 142 -4.076 10.490 6.044 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.876 10.604 7.261 1.00 0.00 C ATOM 2158 C ALA A 142 -5.563 11.969 7.314 1.00 0.00 C ATOM 2159 O ALA A 142 -4.929 12.997 7.056 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.983 10.418 8.495 1.00 0.00 C ATOM 0 H ALA A 142 -3.089 10.287 6.204 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.639 9.826 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.587 10.505 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.518 9.433 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.208 11.185 8.502 1.00 0.00 H new