USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=32 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.281 K(o=0.28,f=-1.6!) USER MOD Set 2.1: A 95 MET CE :methyl 179:sc= -0.603 (180deg=-0.0292) USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= -0.591 USER MOD Set 3.1: A 78 TYR OH : rot 130:sc= 0 USER MOD Set 3.2: A 130 LYS NZ :NH3+ -141:sc= -0.68 (180deg=-1.28) USER MOD Set 4.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 61 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Set 5.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 48 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.1!) USER MOD Set 6.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 24:sc= 1.01 USER MOD Single : A 23 HIS : no HD1:sc= -0.622 X(o=-0.62,f=-0.74) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-5!) USER MOD Single : A 28 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -3.83! USER MOD Single : A 36 THR OG1 : rot 46:sc= 1.19 USER MOD Single : A 38 MET CE :methyl 149:sc= -0.111 (180deg=-0.926) USER MOD Single : A 41 TYR OH : rot -133:sc= 1.61 USER MOD Single : A 43 SER OG : rot -133:sc= 1.19 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 52 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.94) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.0787 (180deg=-0.659) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 150:sc= -0.014 USER MOD Single : A 62 GLN : amide:sc= 0.956 K(o=0.96,f=-0.041) USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.326 F(o=-1.8,f=-0.33) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 72 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 170:sc= 0 USER MOD Single : A 76 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= -1.61 K(o=-1.6,f=-5.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -100:sc= -2.91! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -32:sc= 1.16 USER MOD Single : A 134 SER OG : rot 180:sc= -2.14 USER MOD Single : A 135 LYS NZ :NH3+ -125:sc= -0.912! (180deg=-1.76) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 5.382 -3.768 7.024 1.00 0.00 N ATOM 107 CA PRO A 9 4.213 -4.141 6.152 1.00 0.00 C ATOM 108 C PRO A 9 3.557 -5.446 6.597 1.00 0.00 C ATOM 109 O PRO A 9 4.228 -6.359 7.085 1.00 0.00 O ATOM 110 CB PRO A 9 4.829 -4.286 4.756 1.00 0.00 C ATOM 111 CG PRO A 9 6.270 -4.586 4.997 1.00 0.00 C ATOM 112 CD PRO A 9 6.656 -3.812 6.251 1.00 0.00 C ATOM 0 HA PRO A 9 3.418 -3.396 6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.348 -5.087 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.708 -3.372 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.428 -5.656 5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.880 -4.280 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.448 -4.314 6.807 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.018 -2.812 6.012 1.00 0.00 H new ATOM 120 N THR A 10 2.231 -5.506 6.437 1.00 0.00 N ATOM 121 CA THR A 10 1.448 -6.680 6.835 1.00 0.00 C ATOM 122 C THR A 10 0.493 -7.081 5.707 1.00 0.00 C ATOM 123 O THR A 10 -0.087 -6.211 5.046 1.00 0.00 O ATOM 124 CB THR A 10 0.664 -6.369 8.129 1.00 0.00 C ATOM 125 OG1 THR A 10 1.578 -5.975 9.146 1.00 0.00 O ATOM 126 CG2 THR A 10 -0.108 -7.612 8.601 1.00 0.00 C ATOM 0 H THR A 10 1.676 -4.752 6.033 1.00 0.00 H new ATOM 0 HA THR A 10 2.122 -7.515 7.027 1.00 0.00 H new ATOM 0 HB THR A 10 -0.045 -5.566 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.085 -5.775 9.969 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.655 -7.376 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.810 -7.920 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.593 -8.423 8.798 1.00 0.00 H new ATOM 134 N THR A 11 0.334 -8.404 5.482 1.00 0.00 N ATOM 135 CA THR A 11 -0.557 -8.890 4.417 1.00 0.00 C ATOM 136 C THR A 11 -1.572 -9.919 4.929 1.00 0.00 C ATOM 137 O THR A 11 -1.264 -10.745 5.792 1.00 0.00 O ATOM 138 CB THR A 11 0.259 -9.473 3.238 1.00 0.00 C ATOM 139 OG1 THR A 11 -0.625 -9.870 2.200 1.00 0.00 O ATOM 140 CG2 THR A 11 1.081 -10.688 3.692 1.00 0.00 C ATOM 0 H THR A 11 0.802 -9.138 6.014 1.00 0.00 H new ATOM 0 HA THR A 11 -1.122 -8.029 4.061 1.00 0.00 H new ATOM 0 HB THR A 11 0.940 -8.703 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.462 -9.365 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.646 -11.081 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.770 -10.387 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.411 -11.460 4.071 1.00 0.00 H new ATOM 148 N VAL A 12 -2.794 -9.842 4.381 1.00 0.00 N ATOM 149 CA VAL A 12 -3.889 -10.746 4.761 1.00 0.00 C ATOM 150 C VAL A 12 -4.577 -11.315 3.499 1.00 0.00 C ATOM 151 O VAL A 12 -4.875 -10.572 2.559 1.00 0.00 O ATOM 152 CB VAL A 12 -4.921 -10.001 5.655 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.057 -10.951 6.072 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.226 -9.468 6.917 1.00 0.00 C ATOM 0 H VAL A 12 -3.049 -9.158 3.669 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.473 -11.576 5.333 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.338 -9.173 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.770 -10.413 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.564 -11.325 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.643 -11.789 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.953 -8.947 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.799 -10.300 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.432 -8.778 6.631 1.00 0.00 H new ATOM 164 N ALA A 13 -4.817 -12.635 3.495 1.00 0.00 N ATOM 165 CA ALA A 13 -5.467 -13.307 2.357 1.00 0.00 C ATOM 166 C ALA A 13 -6.985 -13.433 2.572 1.00 0.00 C ATOM 167 O ALA A 13 -7.449 -13.539 3.711 1.00 0.00 O ATOM 168 CB ALA A 13 -4.857 -14.697 2.146 1.00 0.00 C ATOM 0 H ALA A 13 -4.572 -13.258 4.265 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.298 -12.697 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.345 -15.184 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.791 -14.599 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.000 -15.297 3.044 1.00 0.00 H new ATOM 174 N PHE A 14 -7.754 -13.434 1.460 1.00 0.00 N ATOM 175 CA PHE A 14 -9.219 -13.564 1.532 1.00 0.00 C ATOM 176 C PHE A 14 -9.761 -14.335 0.311 1.00 0.00 C ATOM 177 O PHE A 14 -9.065 -14.468 -0.701 1.00 0.00 O ATOM 178 CB PHE A 14 -9.885 -12.163 1.653 1.00 0.00 C ATOM 179 CG PHE A 14 -9.745 -11.372 0.356 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.808 -11.339 -0.559 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.562 -10.689 0.072 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.684 -10.621 -1.751 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.438 -9.970 -1.124 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.499 -9.936 -2.034 1.00 0.00 C ATOM 0 H PHE A 14 -7.385 -13.347 0.513 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.471 -14.136 2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.940 -12.279 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.426 -11.609 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.723 -11.869 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.742 -10.715 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.504 -10.595 -2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.522 -9.442 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.403 -9.381 -2.955 1.00 0.00 H new ATOM 194 N ASP A 15 -10.996 -14.853 0.426 1.00 0.00 N ATOM 195 CA ASP A 15 -11.607 -15.622 -0.666 1.00 0.00 C ATOM 196 C ASP A 15 -12.528 -14.754 -1.509 1.00 0.00 C ATOM 197 O ASP A 15 -13.488 -14.173 -0.990 1.00 0.00 O ATOM 198 CB ASP A 15 -12.423 -16.807 -0.111 1.00 0.00 C ATOM 199 CG ASP A 15 -11.537 -17.698 0.753 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.459 -18.046 0.300 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.948 -18.017 1.856 1.00 0.00 O ATOM 0 H ASP A 15 -11.583 -14.754 1.254 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.792 -15.992 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.262 -16.436 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.842 -17.387 -0.934 1.00 0.00 H new ATOM 206 N VAL A 16 -12.307 -14.775 -2.830 1.00 0.00 N ATOM 207 CA VAL A 16 -13.204 -14.099 -3.761 1.00 0.00 C ATOM 208 C VAL A 16 -14.197 -15.136 -4.242 1.00 0.00 C ATOM 209 O VAL A 16 -13.830 -16.082 -4.941 1.00 0.00 O ATOM 210 CB VAL A 16 -12.411 -13.501 -4.953 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.366 -12.801 -5.935 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.404 -12.472 -4.430 1.00 0.00 C ATOM 0 H VAL A 16 -11.519 -15.251 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.716 -13.269 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.893 -14.310 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.794 -12.387 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.089 -13.522 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.892 -11.997 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.846 -12.051 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.935 -11.675 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.713 -12.957 -3.741 1.00 0.00 H new ATOM 222 N ARG A 17 -15.423 -15.013 -3.761 1.00 0.00 N ATOM 223 CA ARG A 17 -16.465 -15.999 -4.020 1.00 0.00 C ATOM 224 C ARG A 17 -17.551 -15.417 -4.966 1.00 0.00 C ATOM 225 O ARG A 17 -18.202 -14.431 -4.611 1.00 0.00 O ATOM 226 CB ARG A 17 -17.073 -16.431 -2.671 1.00 0.00 C ATOM 227 CG ARG A 17 -15.957 -17.062 -1.794 1.00 0.00 C ATOM 228 CD ARG A 17 -16.457 -17.260 -0.366 1.00 0.00 C ATOM 229 NE ARG A 17 -15.413 -17.885 0.470 1.00 0.00 N ATOM 230 CZ ARG A 17 -15.186 -19.226 0.495 1.00 0.00 C ATOM 231 NH1 ARG A 17 -15.901 -20.057 -0.242 1.00 0.00 N ATOM 232 NH2 ARG A 17 -14.242 -19.702 1.261 1.00 0.00 N ATOM 0 H ARG A 17 -15.726 -14.230 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.038 -16.868 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.511 -15.572 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.877 -17.149 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.651 -18.019 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.078 -16.418 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.745 -16.299 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.349 -17.886 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.835 -17.283 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.640 -19.697 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.714 -21.059 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.683 -19.070 1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.064 -20.706 1.287 1.00 0.00 H new ATOM 246 N PRO A 18 -17.722 -15.968 -6.200 1.00 0.00 N ATOM 247 CA PRO A 18 -18.697 -15.417 -7.195 1.00 0.00 C ATOM 248 C PRO A 18 -20.144 -15.773 -6.871 1.00 0.00 C ATOM 249 O PRO A 18 -20.419 -16.522 -5.929 1.00 0.00 O ATOM 250 CB PRO A 18 -18.268 -16.054 -8.504 1.00 0.00 C ATOM 251 CG PRO A 18 -17.736 -17.387 -8.109 1.00 0.00 C ATOM 252 CD PRO A 18 -17.019 -17.164 -6.774 1.00 0.00 C ATOM 0 HA PRO A 18 -18.681 -14.327 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.107 -16.149 -9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.508 -15.456 -9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.540 -18.115 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.050 -17.775 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.105 -18.033 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.955 -16.976 -6.915 1.00 0.00 H new ATOM 260 N GLY A 19 -21.061 -15.219 -7.666 1.00 0.00 N ATOM 261 CA GLY A 19 -22.499 -15.455 -7.488 1.00 0.00 C ATOM 262 C GLY A 19 -23.341 -14.189 -7.760 1.00 0.00 C ATOM 263 O GLY A 19 -24.548 -14.181 -7.502 1.00 0.00 O ATOM 0 H GLY A 19 -20.834 -14.600 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.819 -16.252 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.685 -15.800 -6.471 1.00 0.00 H new ATOM 267 N GLY A 20 -22.696 -13.123 -8.280 1.00 0.00 N ATOM 268 CA GLY A 20 -23.395 -11.868 -8.578 1.00 0.00 C ATOM 269 C GLY A 20 -23.796 -11.131 -7.294 1.00 0.00 C ATOM 270 O GLY A 20 -24.772 -10.376 -7.283 1.00 0.00 O ATOM 0 H GLY A 20 -21.700 -13.112 -8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.753 -11.227 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.285 -12.078 -9.172 1.00 0.00 H new ATOM 274 N VAL A 21 -23.037 -11.367 -6.218 1.00 0.00 N ATOM 275 CA VAL A 21 -23.304 -10.745 -4.922 1.00 0.00 C ATOM 276 C VAL A 21 -22.190 -9.757 -4.598 1.00 0.00 C ATOM 277 O VAL A 21 -21.005 -10.105 -4.667 1.00 0.00 O ATOM 278 CB VAL A 21 -23.392 -11.827 -3.812 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.697 -11.183 -2.447 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.500 -12.837 -4.149 1.00 0.00 C ATOM 0 H VAL A 21 -22.228 -11.989 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.257 -10.218 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.430 -12.337 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.754 -11.959 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.904 -10.480 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.649 -10.654 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.555 -13.592 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.456 -12.318 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.277 -13.318 -5.101 1.00 0.00 H new ATOM 290 N VAL A 22 -22.576 -8.532 -4.237 1.00 0.00 N ATOM 291 CA VAL A 22 -21.603 -7.501 -3.895 1.00 0.00 C ATOM 292 C VAL A 22 -21.004 -7.814 -2.529 1.00 0.00 C ATOM 293 O VAL A 22 -21.715 -7.851 -1.518 1.00 0.00 O ATOM 294 CB VAL A 22 -22.270 -6.097 -3.894 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.240 -5.009 -3.533 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.843 -5.796 -5.287 1.00 0.00 C ATOM 0 H VAL A 22 -23.549 -8.234 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.810 -7.491 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.068 -6.096 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.725 -4.033 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.833 -5.208 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.432 -5.016 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.310 -4.811 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.039 -5.814 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.587 -6.549 -5.545 1.00 0.00 H new ATOM 306 N HIS A 23 -19.694 -8.038 -2.516 1.00 0.00 N ATOM 307 CA HIS A 23 -18.972 -8.352 -1.288 1.00 0.00 C ATOM 308 C HIS A 23 -18.085 -7.192 -0.891 1.00 0.00 C ATOM 309 O HIS A 23 -17.423 -6.584 -1.739 1.00 0.00 O ATOM 310 CB HIS A 23 -18.108 -9.604 -1.478 1.00 0.00 C ATOM 311 CG HIS A 23 -18.976 -10.805 -1.769 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.740 -11.422 -0.791 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.195 -11.521 -2.920 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.376 -12.462 -1.370 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.077 -12.564 -2.667 1.00 0.00 N ATOM 0 H HIS A 23 -19.107 -8.007 -3.349 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.704 -8.537 -0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.406 -9.448 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.516 -9.784 -0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.748 -11.305 -3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.045 -13.130 -0.848 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -20.422 -13.258 -3.330 1.00 0.00 H new ATOM 323 N SER A 24 -18.066 -6.892 0.407 1.00 0.00 N ATOM 324 CA SER A 24 -17.245 -5.804 0.935 1.00 0.00 C ATOM 325 C SER A 24 -16.229 -6.329 1.938 1.00 0.00 C ATOM 326 O SER A 24 -16.588 -6.990 2.917 1.00 0.00 O ATOM 327 CB SER A 24 -18.128 -4.749 1.597 1.00 0.00 C ATOM 328 OG SER A 24 -18.999 -4.186 0.622 1.00 0.00 O ATOM 0 H SER A 24 -18.610 -7.388 1.113 1.00 0.00 H new ATOM 0 HA SER A 24 -16.708 -5.350 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.708 -5.198 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.511 -3.969 2.043 1.00 0.00 H new ATOM 0 HG SER A 24 -19.569 -3.509 1.044 1.00 0.00 H new ATOM 334 N PHE A 25 -14.964 -5.993 1.701 1.00 0.00 N ATOM 335 CA PHE A 25 -13.870 -6.385 2.591 1.00 0.00 C ATOM 336 C PHE A 25 -13.044 -5.176 2.974 1.00 0.00 C ATOM 337 O PHE A 25 -12.922 -4.233 2.192 1.00 0.00 O ATOM 338 CB PHE A 25 -12.978 -7.439 1.929 1.00 0.00 C ATOM 339 CG PHE A 25 -13.755 -8.719 1.739 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.419 -8.970 0.534 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.803 -9.663 2.775 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.132 -10.164 0.364 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.515 -10.854 2.605 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.180 -11.105 1.401 1.00 0.00 C ATOM 0 H PHE A 25 -14.667 -5.445 0.893 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.306 -6.818 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.620 -7.073 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.099 -7.624 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.382 -8.244 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.289 -9.470 3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.645 -10.359 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.551 -11.580 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.731 -12.025 1.270 1.00 0.00 H new ATOM 354 N SER A 26 -12.492 -5.197 4.188 1.00 0.00 N ATOM 355 CA SER A 26 -11.692 -4.083 4.678 1.00 0.00 C ATOM 356 C SER A 26 -10.627 -4.564 5.646 1.00 0.00 C ATOM 357 O SER A 26 -10.686 -5.700 6.132 1.00 0.00 O ATOM 358 CB SER A 26 -12.586 -3.049 5.352 1.00 0.00 C ATOM 359 OG SER A 26 -13.118 -3.597 6.552 1.00 0.00 O ATOM 0 H SER A 26 -12.586 -5.972 4.845 1.00 0.00 H new ATOM 0 HA SER A 26 -11.194 -3.621 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.015 -2.147 5.573 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.395 -2.759 4.682 1.00 0.00 H new ATOM 0 HG SER A 26 -13.692 -2.933 6.988 1.00 0.00 H new ATOM 365 N HIS A 27 -9.639 -3.702 5.905 1.00 0.00 N ATOM 366 CA HIS A 27 -8.536 -4.053 6.799 1.00 0.00 C ATOM 367 C HIS A 27 -8.049 -2.836 7.582 1.00 0.00 C ATOM 368 O HIS A 27 -7.939 -1.730 7.036 1.00 0.00 O ATOM 369 CB HIS A 27 -7.372 -4.661 5.993 1.00 0.00 C ATOM 370 CG HIS A 27 -6.326 -5.276 6.916 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.022 -5.490 6.496 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.375 -5.737 8.220 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.347 -6.051 7.518 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.124 -6.222 8.591 1.00 0.00 N ATOM 0 H HIS A 27 -9.582 -2.763 5.511 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.904 -4.791 7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.755 -5.423 5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.910 -3.889 5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.250 -5.723 8.853 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.304 -6.329 7.475 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.858 -6.623 9.490 1.00 0.00 H new ATOM 382 N ASN A 28 -7.773 -3.058 8.871 1.00 0.00 N ATOM 383 CA ASN A 28 -7.305 -2.003 9.770 1.00 0.00 C ATOM 384 C ASN A 28 -5.843 -2.192 10.107 1.00 0.00 C ATOM 385 O ASN A 28 -5.287 -3.281 9.921 1.00 0.00 O ATOM 386 CB ASN A 28 -8.140 -2.004 11.057 1.00 0.00 C ATOM 387 CG ASN A 28 -7.962 -0.689 11.815 1.00 0.00 C ATOM 388 OD1 ASN A 28 -7.841 0.371 11.205 1.00 0.00 O ATOM 389 ND2 ASN A 28 -7.941 -0.700 13.121 1.00 0.00 N ATOM 0 H ASN A 28 -7.868 -3.970 9.317 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.421 -1.045 9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.192 -2.150 10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.840 -2.839 11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.824 0.172 13.637 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.042 -1.581 13.625 1.00 0.00 H new ATOM 396 N VAL A 29 -5.219 -1.119 10.599 1.00 0.00 N ATOM 397 CA VAL A 29 -3.811 -1.148 10.962 1.00 0.00 C ATOM 398 C VAL A 29 -3.609 -0.536 12.365 1.00 0.00 C ATOM 399 O VAL A 29 -4.421 0.283 12.810 1.00 0.00 O ATOM 400 CB VAL A 29 -2.974 -0.432 9.868 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.137 1.106 9.932 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.494 -0.837 9.989 1.00 0.00 C ATOM 0 H VAL A 29 -5.674 -0.219 10.753 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.461 -2.179 11.016 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.348 -0.750 8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.535 1.569 9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.185 1.367 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.806 1.467 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.914 -0.330 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.118 -0.552 10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.401 -1.916 9.863 1.00 0.00 H new ATOM 412 N GLY A 30 -2.588 -1.021 13.089 1.00 0.00 N ATOM 413 CA GLY A 30 -2.367 -0.607 14.484 1.00 0.00 C ATOM 414 C GLY A 30 -2.150 0.922 14.640 1.00 0.00 C ATOM 415 O GLY A 30 -2.822 1.544 15.469 1.00 0.00 O ATOM 0 H GLY A 30 -1.908 -1.694 12.736 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.224 -0.909 15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.498 -1.133 14.879 1.00 0.00 H new ATOM 419 N PRO A 31 -1.240 1.553 13.866 1.00 0.00 N ATOM 420 CA PRO A 31 -0.995 3.039 13.973 1.00 0.00 C ATOM 421 C PRO A 31 -2.262 3.842 13.684 1.00 0.00 C ATOM 422 O PRO A 31 -2.570 4.812 14.382 1.00 0.00 O ATOM 423 CB PRO A 31 0.066 3.301 12.892 1.00 0.00 C ATOM 424 CG PRO A 31 0.741 1.986 12.702 1.00 0.00 C ATOM 425 CD PRO A 31 -0.360 0.948 12.839 1.00 0.00 C ATOM 0 HA PRO A 31 -0.682 3.338 14.973 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.390 3.650 11.966 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.773 4.068 13.208 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.218 1.926 11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.521 1.833 13.448 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.885 0.786 11.898 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.030 -0.019 13.157 1.00 0.00 H new ATOM 433 N GLY A 32 -2.991 3.414 12.654 1.00 0.00 N ATOM 434 CA GLY A 32 -4.235 4.057 12.250 1.00 0.00 C ATOM 435 C GLY A 32 -5.435 3.394 12.905 1.00 0.00 C ATOM 436 O GLY A 32 -6.007 2.449 12.350 1.00 0.00 O ATOM 0 H GLY A 32 -2.734 2.612 12.078 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.207 5.112 12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.337 4.009 11.166 1.00 0.00 H new ATOM 440 N ASP A 33 -5.814 3.890 14.080 1.00 0.00 N ATOM 441 CA ASP A 33 -6.959 3.339 14.812 1.00 0.00 C ATOM 442 C ASP A 33 -8.261 3.533 14.032 1.00 0.00 C ATOM 443 O ASP A 33 -9.154 2.682 14.079 1.00 0.00 O ATOM 444 CB ASP A 33 -7.071 4.006 16.188 1.00 0.00 C ATOM 445 CG ASP A 33 -7.250 5.538 16.073 1.00 0.00 C ATOM 446 OD1 ASP A 33 -6.957 6.091 15.019 1.00 0.00 O ATOM 447 OD2 ASP A 33 -7.681 6.131 17.049 1.00 0.00 O ATOM 0 H ASP A 33 -5.350 4.669 14.547 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.796 2.269 14.939 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.916 3.581 16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.176 3.788 16.771 1.00 0.00 H new ATOM 452 N LYS A 34 -8.351 4.650 13.305 1.00 0.00 N ATOM 453 CA LYS A 34 -9.536 4.964 12.490 1.00 0.00 C ATOM 454 C LYS A 34 -9.275 4.763 10.983 1.00 0.00 C ATOM 455 O LYS A 34 -10.208 4.839 10.178 1.00 0.00 O ATOM 456 CB LYS A 34 -10.006 6.409 12.748 1.00 0.00 C ATOM 457 CG LYS A 34 -8.867 7.407 12.455 1.00 0.00 C ATOM 458 CD LYS A 34 -9.317 8.833 12.806 1.00 0.00 C ATOM 459 CE LYS A 34 -10.288 9.355 11.739 1.00 0.00 C ATOM 460 NZ LYS A 34 -10.643 10.771 12.042 1.00 0.00 N ATOM 0 H LYS A 34 -7.617 5.356 13.262 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.320 4.268 12.790 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.867 6.636 12.119 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.331 6.513 13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.982 7.143 13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.587 7.354 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.800 8.841 13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.450 9.490 12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.832 9.286 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.187 8.740 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.301 11.126 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.095 10.823 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.781 11.353 12.041 1.00 0.00 H new ATOM 474 N TYR A 35 -7.999 4.540 10.604 1.00 0.00 N ATOM 475 CA TYR A 35 -7.633 4.372 9.190 1.00 0.00 C ATOM 476 C TYR A 35 -7.896 2.938 8.721 1.00 0.00 C ATOM 477 O TYR A 35 -7.407 1.981 9.331 1.00 0.00 O ATOM 478 CB TYR A 35 -6.148 4.725 8.981 1.00 0.00 C ATOM 479 CG TYR A 35 -5.820 4.713 7.500 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.909 5.887 6.753 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.442 3.516 6.883 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.621 5.868 5.382 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.151 3.496 5.514 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.242 4.673 4.764 1.00 0.00 C ATOM 485 OH TYR A 35 -4.959 4.655 3.413 1.00 0.00 O ATOM 0 H TYR A 35 -7.215 4.473 11.253 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.251 5.047 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.936 5.708 9.402 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.517 4.010 9.508 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.200 6.811 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.375 2.607 7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.692 6.777 4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.857 2.573 5.037 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.711 3.746 3.143 1.00 0.00 H new ATOM 495 N THR A 36 -8.638 2.801 7.609 1.00 0.00 N ATOM 496 CA THR A 36 -8.922 1.479 7.039 1.00 0.00 C ATOM 497 C THR A 36 -9.194 1.551 5.532 1.00 0.00 C ATOM 498 O THR A 36 -9.733 2.544 5.034 1.00 0.00 O ATOM 499 CB THR A 36 -10.109 0.818 7.772 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.345 -0.471 7.223 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.373 1.680 7.631 1.00 0.00 C ATOM 0 H THR A 36 -9.046 3.581 7.094 1.00 0.00 H new ATOM 0 HA THR A 36 -8.033 0.865 7.180 1.00 0.00 H new ATOM 0 HB THR A 36 -9.865 0.727 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.493 -0.946 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.201 1.200 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.192 2.664 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.624 1.788 6.576 1.00 0.00 H new ATOM 509 N CYS A 37 -8.865 0.461 4.827 1.00 0.00 N ATOM 510 CA CYS A 37 -9.121 0.356 3.383 1.00 0.00 C ATOM 511 C CYS A 37 -10.377 -0.469 3.141 1.00 0.00 C ATOM 512 O CYS A 37 -10.661 -1.401 3.891 1.00 0.00 O ATOM 513 CB CYS A 37 -7.924 -0.298 2.650 1.00 0.00 C ATOM 514 SG CYS A 37 -6.493 0.822 2.647 1.00 0.00 S ATOM 0 H CYS A 37 -8.420 -0.362 5.233 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.258 1.363 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.659 -1.236 3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.206 -0.541 1.625 1.00 0.00 H new ATOM 519 N MET A 38 -11.129 -0.119 2.089 1.00 0.00 N ATOM 520 CA MET A 38 -12.363 -0.836 1.747 1.00 0.00 C ATOM 521 C MET A 38 -12.339 -1.324 0.322 1.00 0.00 C ATOM 522 O MET A 38 -11.735 -0.695 -0.554 1.00 0.00 O ATOM 523 CB MET A 38 -13.584 0.039 1.965 1.00 0.00 C ATOM 524 CG MET A 38 -13.747 0.305 3.455 1.00 0.00 C ATOM 525 SD MET A 38 -15.175 1.383 3.718 1.00 0.00 S ATOM 526 CE MET A 38 -16.455 0.172 3.306 1.00 0.00 C ATOM 0 H MET A 38 -10.905 0.654 1.462 1.00 0.00 H new ATOM 0 HA MET A 38 -12.424 -1.699 2.410 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.474 0.979 1.425 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.474 -0.452 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.883 -0.634 3.991 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.846 0.772 3.853 1.00 0.00 H new ATOM 0 HE1 MET A 38 -17.354 0.382 3.885 1.00 0.00 H new ATOM 0 HE2 MET A 38 -16.685 0.233 2.242 1.00 0.00 H new ATOM 0 HE3 MET A 38 -16.097 -0.830 3.542 1.00 0.00 H new ATOM 536 N PHE A 39 -12.956 -2.482 0.107 1.00 0.00 N ATOM 537 CA PHE A 39 -12.966 -3.112 -1.216 1.00 0.00 C ATOM 538 C PHE A 39 -14.354 -3.644 -1.536 1.00 0.00 C ATOM 539 O PHE A 39 -14.780 -4.661 -0.977 1.00 0.00 O ATOM 540 CB PHE A 39 -11.948 -4.285 -1.280 1.00 0.00 C ATOM 541 CG PHE A 39 -10.641 -3.910 -0.579 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.268 -4.575 0.598 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.831 -2.892 -1.094 1.00 0.00 C ATOM 544 CE1 PHE A 39 -9.086 -4.225 1.256 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.645 -2.544 -0.436 1.00 0.00 C ATOM 546 CZ PHE A 39 -8.273 -3.210 0.740 1.00 0.00 C ATOM 0 H PHE A 39 -13.455 -3.004 0.827 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.684 -2.355 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.377 -5.170 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.747 -4.542 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.895 -5.359 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.120 -2.376 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.800 -4.738 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.016 -1.762 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.359 -2.940 1.248 1.00 0.00 H new ATOM 556 N THR A 40 -15.041 -2.973 -2.458 1.00 0.00 N ATOM 557 CA THR A 40 -16.375 -3.399 -2.887 1.00 0.00 C ATOM 558 C THR A 40 -16.299 -3.921 -4.325 1.00 0.00 C ATOM 559 O THR A 40 -15.794 -3.230 -5.208 1.00 0.00 O ATOM 560 CB THR A 40 -17.355 -2.207 -2.793 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.382 -1.733 -1.453 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.772 -2.644 -3.198 1.00 0.00 C ATOM 0 H THR A 40 -14.698 -2.133 -2.923 1.00 0.00 H new ATOM 0 HA THR A 40 -16.737 -4.197 -2.239 1.00 0.00 H new ATOM 0 HB THR A 40 -17.020 -1.419 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.000 -0.976 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.450 -1.793 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.760 -3.013 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.113 -3.436 -2.532 1.00 0.00 H new ATOM 570 N TYR A 41 -16.768 -5.159 -4.543 1.00 0.00 N ATOM 571 CA TYR A 41 -16.711 -5.767 -5.881 1.00 0.00 C ATOM 572 C TYR A 41 -17.743 -6.880 -6.060 1.00 0.00 C ATOM 573 O TYR A 41 -18.286 -7.408 -5.085 1.00 0.00 O ATOM 574 CB TYR A 41 -15.293 -6.296 -6.175 1.00 0.00 C ATOM 575 CG TYR A 41 -14.899 -7.358 -5.163 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.220 -8.702 -5.396 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.211 -6.995 -3.998 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.854 -9.680 -4.465 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.845 -7.974 -3.068 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.165 -9.319 -3.300 1.00 0.00 C ATOM 581 OH TYR A 41 -13.801 -10.290 -2.381 1.00 0.00 O ATOM 0 H TYR A 41 -17.184 -5.750 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.956 -4.983 -6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.256 -6.713 -7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.578 -5.474 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.750 -8.983 -6.294 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.963 -5.959 -3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.103 -10.715 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.315 -7.693 -2.170 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.035 -9.990 -1.478 1.00 0.00 H new ATOM 591 N ALA A 42 -17.976 -7.247 -7.324 1.00 0.00 N ATOM 592 CA ALA A 42 -18.915 -8.326 -7.669 1.00 0.00 C ATOM 593 C ALA A 42 -18.296 -9.238 -8.729 1.00 0.00 C ATOM 594 O ALA A 42 -17.614 -8.755 -9.647 1.00 0.00 O ATOM 595 CB ALA A 42 -20.231 -7.739 -8.186 1.00 0.00 C ATOM 0 H ALA A 42 -17.527 -6.812 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.121 -8.911 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.916 -8.548 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.678 -7.112 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.037 -7.138 -9.075 1.00 0.00 H new ATOM 601 N SER A 43 -18.502 -10.565 -8.576 1.00 0.00 N ATOM 602 CA SER A 43 -17.912 -11.536 -9.499 1.00 0.00 C ATOM 603 C SER A 43 -18.893 -12.640 -9.882 1.00 0.00 C ATOM 604 O SER A 43 -19.818 -12.958 -9.131 1.00 0.00 O ATOM 605 CB SER A 43 -16.665 -12.157 -8.876 1.00 0.00 C ATOM 606 OG SER A 43 -15.732 -11.131 -8.571 1.00 0.00 O ATOM 0 H SER A 43 -19.065 -10.975 -7.831 1.00 0.00 H new ATOM 0 HA SER A 43 -17.648 -10.997 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.930 -12.704 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.220 -12.876 -9.564 1.00 0.00 H new ATOM 0 HG SER A 43 -14.843 -11.391 -8.892 1.00 0.00 H new ATOM 612 N GLN A 44 -18.642 -13.245 -11.043 1.00 0.00 N ATOM 613 CA GLN A 44 -19.448 -14.355 -11.547 1.00 0.00 C ATOM 614 C GLN A 44 -18.538 -15.520 -11.970 1.00 0.00 C ATOM 615 O GLN A 44 -17.566 -15.327 -12.707 1.00 0.00 O ATOM 616 CB GLN A 44 -20.327 -13.885 -12.731 1.00 0.00 C ATOM 617 CG GLN A 44 -21.177 -15.052 -13.260 1.00 0.00 C ATOM 618 CD GLN A 44 -22.227 -14.540 -14.239 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.033 -13.677 -13.890 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.267 -15.023 -15.450 1.00 0.00 N ATOM 0 H GLN A 44 -17.874 -12.979 -11.660 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.106 -14.705 -10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.976 -13.070 -12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.696 -13.495 -13.529 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.536 -15.783 -13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.663 -15.563 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.598 -15.738 -15.736 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -22.967 -14.686 -16.111 1.00 0.00 H new ATOM 629 N GLY A 45 -18.870 -16.720 -11.489 1.00 0.00 N ATOM 630 CA GLY A 45 -18.109 -17.920 -11.793 1.00 0.00 C ATOM 631 C GLY A 45 -18.618 -19.085 -10.963 1.00 0.00 C ATOM 632 O GLY A 45 -19.546 -18.925 -10.161 1.00 0.00 O ATOM 0 H GLY A 45 -19.673 -16.880 -10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.194 -18.155 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.052 -17.751 -11.587 1.00 0.00 H new ATOM 636 N GLY A 46 -18.020 -20.260 -11.168 1.00 0.00 N ATOM 637 CA GLY A 46 -18.429 -21.466 -10.444 1.00 0.00 C ATOM 638 C GLY A 46 -17.447 -21.859 -9.325 1.00 0.00 C ATOM 639 O GLY A 46 -17.653 -22.878 -8.655 1.00 0.00 O ATOM 0 H GLY A 46 -17.254 -20.403 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.417 -21.306 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.518 -22.293 -11.148 1.00 0.00 H new ATOM 643 N THR A 47 -16.383 -21.059 -9.128 1.00 0.00 N ATOM 644 CA THR A 47 -15.389 -21.352 -8.092 1.00 0.00 C ATOM 645 C THR A 47 -14.784 -20.075 -7.519 1.00 0.00 C ATOM 646 O THR A 47 -14.687 -19.058 -8.214 1.00 0.00 O ATOM 647 CB THR A 47 -14.283 -22.270 -8.653 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.353 -22.572 -7.623 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.556 -21.587 -9.823 1.00 0.00 C ATOM 0 H THR A 47 -16.195 -20.215 -9.669 1.00 0.00 H new ATOM 0 HA THR A 47 -15.898 -21.870 -7.279 1.00 0.00 H new ATOM 0 HB THR A 47 -14.740 -23.190 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.651 -23.156 -7.977 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.780 -22.250 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.270 -21.368 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.102 -20.658 -9.477 1.00 0.00 H new ATOM 657 N ASN A 48 -14.368 -20.146 -6.249 1.00 0.00 N ATOM 658 CA ASN A 48 -13.760 -19.009 -5.579 1.00 0.00 C ATOM 659 C ASN A 48 -12.285 -18.889 -5.958 1.00 0.00 C ATOM 660 O ASN A 48 -11.764 -19.704 -6.726 1.00 0.00 O ATOM 661 CB ASN A 48 -13.912 -19.144 -4.050 1.00 0.00 C ATOM 662 CG ASN A 48 -13.092 -20.332 -3.510 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.627 -21.184 -4.274 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.891 -20.434 -2.224 1.00 0.00 N ATOM 0 H ASN A 48 -14.445 -20.983 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.273 -18.103 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.584 -18.223 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.964 -19.280 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.351 -21.216 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.274 -19.732 -1.591 1.00 0.00 H new ATOM 671 N GLU A 49 -11.625 -17.862 -5.420 1.00 0.00 N ATOM 672 CA GLU A 49 -10.216 -17.615 -5.699 1.00 0.00 C ATOM 673 C GLU A 49 -9.532 -17.056 -4.463 1.00 0.00 C ATOM 674 O GLU A 49 -10.161 -16.375 -3.652 1.00 0.00 O ATOM 675 CB GLU A 49 -10.077 -16.635 -6.873 1.00 0.00 C ATOM 676 CG GLU A 49 -8.590 -16.447 -7.259 1.00 0.00 C ATOM 677 CD GLU A 49 -7.961 -17.769 -7.745 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.698 -18.641 -8.194 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.749 -17.884 -7.661 1.00 0.00 O ATOM 0 H GLU A 49 -12.050 -17.186 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.737 -18.556 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.636 -17.007 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.512 -15.673 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.509 -15.694 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.034 -16.073 -6.399 1.00 0.00 H new ATOM 686 N GLN A 50 -8.247 -17.346 -4.331 1.00 0.00 N ATOM 687 CA GLN A 50 -7.464 -16.869 -3.194 1.00 0.00 C ATOM 688 C GLN A 50 -6.670 -15.628 -3.574 1.00 0.00 C ATOM 689 O GLN A 50 -5.922 -15.637 -4.549 1.00 0.00 O ATOM 690 CB GLN A 50 -6.526 -17.968 -2.704 1.00 0.00 C ATOM 691 CG GLN A 50 -7.358 -19.117 -2.132 1.00 0.00 C ATOM 692 CD GLN A 50 -6.448 -20.251 -1.674 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.393 -20.003 -1.088 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.795 -21.487 -1.906 1.00 0.00 N ATOM 0 H GLN A 50 -7.720 -17.911 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.149 -16.605 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.905 -18.326 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.852 -17.576 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.956 -18.760 -1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.054 -19.482 -2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.669 -21.689 -2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.192 -22.252 -1.602 1.00 0.00 H new ATOM 703 N TRP A 51 -6.864 -14.558 -2.803 1.00 0.00 N ATOM 704 CA TRP A 51 -6.184 -13.284 -3.048 1.00 0.00 C ATOM 705 C TRP A 51 -5.446 -12.815 -1.814 1.00 0.00 C ATOM 706 O TRP A 51 -5.955 -12.930 -0.698 1.00 0.00 O ATOM 707 CB TRP A 51 -7.197 -12.214 -3.450 1.00 0.00 C ATOM 708 CG TRP A 51 -7.740 -12.502 -4.808 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.533 -13.549 -5.122 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.561 -11.737 -6.033 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.845 -13.481 -6.470 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.269 -12.378 -7.073 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.854 -10.559 -6.337 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.278 -11.869 -8.372 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.861 -10.043 -7.644 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.572 -10.697 -8.659 1.00 0.00 C ATOM 0 H TRP A 51 -7.491 -14.548 -1.998 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.468 -13.442 -3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -8.010 -12.182 -2.725 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.723 -11.233 -3.441 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.868 -14.313 -4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.428 -14.161 -6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.303 -10.048 -5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.827 -12.377 -9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.316 -9.138 -7.867 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.575 -10.296 -9.662 1.00 0.00 H new ATOM 727 N GLN A 52 -4.268 -12.229 -2.030 1.00 0.00 N ATOM 728 CA GLN A 52 -3.474 -11.670 -0.937 1.00 0.00 C ATOM 729 C GLN A 52 -3.602 -10.152 -0.927 1.00 0.00 C ATOM 730 O GLN A 52 -3.553 -9.507 -1.988 1.00 0.00 O ATOM 731 CB GLN A 52 -2.001 -12.045 -1.092 1.00 0.00 C ATOM 732 CG GLN A 52 -1.838 -13.565 -0.969 1.00 0.00 C ATOM 733 CD GLN A 52 -0.402 -13.972 -1.301 1.00 0.00 C ATOM 734 OE1 GLN A 52 0.225 -13.385 -2.186 1.00 0.00 O ATOM 735 NE2 GLN A 52 0.159 -14.947 -0.640 1.00 0.00 N ATOM 0 H GLN A 52 -3.843 -12.129 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.849 -12.080 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.630 -11.707 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.406 -11.543 -0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.089 -13.884 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.531 -14.068 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.360 -15.432 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.117 -15.224 -0.855 1.00 0.00 H new ATOM 744 N MET A 53 -3.751 -9.587 0.271 1.00 0.00 N ATOM 745 CA MET A 53 -3.863 -8.133 0.433 1.00 0.00 C ATOM 746 C MET A 53 -2.648 -7.637 1.175 1.00 0.00 C ATOM 747 O MET A 53 -2.383 -8.104 2.266 1.00 0.00 O ATOM 748 CB MET A 53 -5.116 -7.769 1.249 1.00 0.00 C ATOM 749 CG MET A 53 -6.367 -8.389 0.610 1.00 0.00 C ATOM 750 SD MET A 53 -7.853 -7.835 1.496 1.00 0.00 S ATOM 751 CE MET A 53 -7.619 -8.788 3.024 1.00 0.00 C ATOM 0 H MET A 53 -3.797 -10.112 1.145 1.00 0.00 H new ATOM 0 HA MET A 53 -3.937 -7.673 -0.553 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.008 -8.126 2.273 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.224 -6.685 1.299 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.430 -8.102 -0.439 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.300 -9.477 0.639 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.563 -8.844 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.282 -9.795 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.871 -8.298 3.647 1.00 0.00 H new ATOM 761 N SER A 54 -1.905 -6.702 0.580 1.00 0.00 N ATOM 762 CA SER A 54 -0.691 -6.176 1.212 1.00 0.00 C ATOM 763 C SER A 54 -0.761 -4.673 1.376 1.00 0.00 C ATOM 764 O SER A 54 -0.998 -3.945 0.408 1.00 0.00 O ATOM 765 CB SER A 54 0.535 -6.541 0.383 1.00 0.00 C ATOM 766 OG SER A 54 1.694 -5.969 0.977 1.00 0.00 O ATOM 0 H SER A 54 -2.119 -6.296 -0.331 1.00 0.00 H new ATOM 0 HA SER A 54 -0.611 -6.627 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.639 -7.624 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.419 -6.177 -0.638 1.00 0.00 H new ATOM 0 HG SER A 54 2.484 -6.204 0.446 1.00 0.00 H new ATOM 772 N LEU A 55 -0.513 -4.211 2.601 1.00 0.00 N ATOM 773 CA LEU A 55 -0.508 -2.780 2.899 1.00 0.00 C ATOM 774 C LEU A 55 0.750 -2.388 3.656 1.00 0.00 C ATOM 775 O LEU A 55 1.376 -3.223 4.332 1.00 0.00 O ATOM 776 CB LEU A 55 -1.769 -2.368 3.688 1.00 0.00 C ATOM 777 CG LEU A 55 -1.896 -3.192 5.002 1.00 0.00 C ATOM 778 CD1 LEU A 55 -1.099 -2.512 6.135 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.380 -3.277 5.408 1.00 0.00 C ATOM 0 H LEU A 55 -0.313 -4.808 3.404 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.517 -2.245 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.724 -1.305 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.655 -2.521 3.071 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.497 -4.192 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.195 -3.097 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.048 -2.449 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.490 -1.509 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.473 -3.854 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.772 -2.272 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.947 -3.765 4.615 1.00 0.00 H new ATOM 791 N GLY A 56 1.139 -1.125 3.501 1.00 0.00 N ATOM 792 CA GLY A 56 2.343 -0.598 4.132 1.00 0.00 C ATOM 793 C GLY A 56 2.171 0.877 4.451 1.00 0.00 C ATOM 794 O GLY A 56 1.169 1.488 4.064 1.00 0.00 O ATOM 0 H GLY A 56 0.631 -0.443 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.554 -1.152 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.198 -0.736 3.471 1.00 0.00 H new ATOM 798 N THR A 57 3.131 1.438 5.192 1.00 0.00 N ATOM 799 CA THR A 57 3.057 2.848 5.604 1.00 0.00 C ATOM 800 C THR A 57 4.366 3.582 5.335 1.00 0.00 C ATOM 801 O THR A 57 5.432 2.966 5.247 1.00 0.00 O ATOM 802 CB THR A 57 2.720 2.947 7.106 1.00 0.00 C ATOM 803 OG1 THR A 57 3.773 2.364 7.861 1.00 0.00 O ATOM 804 CG2 THR A 57 1.403 2.210 7.415 1.00 0.00 C ATOM 0 H THR A 57 3.962 0.945 5.518 1.00 0.00 H new ATOM 0 HA THR A 57 2.270 3.319 5.015 1.00 0.00 H new ATOM 0 HB THR A 57 2.605 3.998 7.373 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.564 2.426 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.182 2.291 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.592 2.658 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.502 1.159 7.144 1.00 0.00 H new ATOM 812 N SER A 58 4.274 4.914 5.258 1.00 0.00 N ATOM 813 CA SER A 58 5.440 5.768 5.063 1.00 0.00 C ATOM 814 C SER A 58 6.330 5.725 6.302 1.00 0.00 C ATOM 815 O SER A 58 5.852 5.418 7.399 1.00 0.00 O ATOM 816 CB SER A 58 4.999 7.203 4.790 1.00 0.00 C ATOM 817 OG SER A 58 6.147 8.030 4.640 1.00 0.00 O ATOM 0 H SER A 58 3.393 5.423 5.329 1.00 0.00 H new ATOM 0 HA SER A 58 6.005 5.403 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.389 7.242 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.380 7.567 5.610 1.00 0.00 H new ATOM 0 HG SER A 58 5.941 8.768 4.028 1.00 0.00 H new ATOM 823 N GLU A 59 7.629 5.998 6.121 1.00 0.00 N ATOM 824 CA GLU A 59 8.581 5.962 7.241 1.00 0.00 C ATOM 825 C GLU A 59 8.109 6.857 8.394 1.00 0.00 C ATOM 826 O GLU A 59 8.278 6.507 9.568 1.00 0.00 O ATOM 827 CB GLU A 59 9.986 6.392 6.764 1.00 0.00 C ATOM 828 CG GLU A 59 9.944 7.832 6.203 1.00 0.00 C ATOM 829 CD GLU A 59 11.326 8.260 5.681 1.00 0.00 C ATOM 830 OE1 GLU A 59 12.324 7.801 6.223 1.00 0.00 O ATOM 831 OE2 GLU A 59 11.361 9.044 4.747 1.00 0.00 O ATOM 0 H GLU A 59 8.042 6.244 5.221 1.00 0.00 H new ATOM 0 HA GLU A 59 8.634 4.938 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.692 6.338 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.343 5.705 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.213 7.891 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.616 8.520 6.982 1.00 0.00 H new ATOM 838 N ASP A 60 7.470 7.982 8.049 1.00 0.00 N ATOM 839 CA ASP A 60 6.913 8.898 9.058 1.00 0.00 C ATOM 840 C ASP A 60 5.373 8.765 9.173 1.00 0.00 C ATOM 841 O ASP A 60 4.722 9.568 9.844 1.00 0.00 O ATOM 842 CB ASP A 60 7.316 10.342 8.749 1.00 0.00 C ATOM 843 CG ASP A 60 6.839 10.737 7.364 1.00 0.00 C ATOM 844 OD1 ASP A 60 5.746 11.248 7.267 1.00 0.00 O ATOM 845 OD2 ASP A 60 7.579 10.520 6.419 1.00 0.00 O ATOM 0 H ASP A 60 7.325 8.281 7.085 1.00 0.00 H new ATOM 0 HA ASP A 60 7.331 8.618 10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.888 11.013 9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.399 10.446 8.811 1.00 0.00 H new ATOM 850 N HIS A 61 4.816 7.700 8.561 1.00 0.00 N ATOM 851 CA HIS A 61 3.380 7.397 8.634 1.00 0.00 C ATOM 852 C HIS A 61 2.501 8.515 8.047 1.00 0.00 C ATOM 853 O HIS A 61 1.338 8.672 8.440 1.00 0.00 O ATOM 854 CB HIS A 61 2.988 7.103 10.091 1.00 0.00 C ATOM 855 CG HIS A 61 3.666 5.833 10.544 1.00 0.00 C ATOM 856 ND1 HIS A 61 2.957 4.676 10.829 1.00 0.00 N ATOM 857 CD2 HIS A 61 4.991 5.518 10.745 1.00 0.00 C ATOM 858 CE1 HIS A 61 3.848 3.730 11.181 1.00 0.00 C ATOM 859 NE2 HIS A 61 5.102 4.192 11.147 1.00 0.00 N ATOM 0 H HIS A 61 5.350 7.031 8.006 1.00 0.00 H new ATOM 0 HA HIS A 61 3.200 6.515 8.019 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.281 7.934 10.733 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.906 7.001 10.175 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.819 6.198 10.611 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.582 2.720 11.457 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.957 3.681 11.368 1.00 0.00 H new ATOM 867 N GLN A 62 3.040 9.241 7.059 1.00 0.00 N ATOM 868 CA GLN A 62 2.275 10.294 6.361 1.00 0.00 C ATOM 869 C GLN A 62 1.401 9.717 5.239 1.00 0.00 C ATOM 870 O GLN A 62 0.327 10.251 4.948 1.00 0.00 O ATOM 871 CB GLN A 62 3.203 11.378 5.792 1.00 0.00 C ATOM 872 CG GLN A 62 4.246 10.743 4.864 1.00 0.00 C ATOM 873 CD GLN A 62 5.059 11.830 4.166 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.493 12.700 3.503 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.360 11.834 4.278 1.00 0.00 N ATOM 0 H GLN A 62 3.996 9.123 6.723 1.00 0.00 H new ATOM 0 HA GLN A 62 1.621 10.748 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.619 12.117 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.701 11.905 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.908 10.095 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.751 10.116 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.827 11.113 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.909 12.559 3.816 1.00 0.00 H new ATOM 884 N HIS A 63 1.877 8.630 4.606 1.00 0.00 N ATOM 885 CA HIS A 63 1.139 7.989 3.506 1.00 0.00 C ATOM 886 C HIS A 63 0.853 6.522 3.805 1.00 0.00 C ATOM 887 O HIS A 63 1.696 5.811 4.359 1.00 0.00 O ATOM 888 CB HIS A 63 1.914 8.098 2.185 1.00 0.00 C ATOM 889 CG HIS A 63 2.008 9.535 1.753 1.00 0.00 C ATOM 890 ND1 HIS A 63 3.070 10.397 1.647 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 0.899 10.246 1.325 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 2.631 11.623 1.160 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 1.315 11.476 0.982 1.00 0.00 N flip ATOM 0 H HIS A 63 2.763 8.180 4.836 1.00 0.00 H new ATOM 0 HA HIS A 63 0.190 8.517 3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.914 7.681 2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.416 7.511 1.414 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.035 10.173 1.889 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.115 9.878 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.225 12.504 0.967 1.00 0.00 H new ATOM 901 N PHE A 64 -0.346 6.081 3.418 1.00 0.00 N ATOM 902 CA PHE A 64 -0.776 4.691 3.624 1.00 0.00 C ATOM 903 C PHE A 64 -1.242 4.091 2.303 1.00 0.00 C ATOM 904 O PHE A 64 -1.914 4.765 1.524 1.00 0.00 O ATOM 905 CB PHE A 64 -1.922 4.648 4.645 1.00 0.00 C ATOM 906 CG PHE A 64 -1.437 5.165 5.983 1.00 0.00 C ATOM 907 CD1 PHE A 64 -1.440 6.541 6.239 1.00 0.00 C ATOM 908 CD2 PHE A 64 -0.990 4.274 6.962 1.00 0.00 C ATOM 909 CE1 PHE A 64 -0.993 7.025 7.473 1.00 0.00 C ATOM 910 CE2 PHE A 64 -0.544 4.757 8.198 1.00 0.00 C ATOM 911 CZ PHE A 64 -0.545 6.134 8.453 1.00 0.00 C ATOM 0 H PHE A 64 -1.042 6.668 2.958 1.00 0.00 H new ATOM 0 HA PHE A 64 0.065 4.111 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.758 5.252 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.289 3.627 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.788 7.230 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.989 3.212 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.994 8.087 7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.199 4.068 8.955 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.200 6.507 9.406 1.00 0.00 H new ATOM 921 N THR A 65 -0.872 2.825 2.045 1.00 0.00 N ATOM 922 CA THR A 65 -1.259 2.161 0.790 1.00 0.00 C ATOM 923 C THR A 65 -1.827 0.761 1.032 1.00 0.00 C ATOM 924 O THR A 65 -1.344 0.017 1.892 1.00 0.00 O ATOM 925 CB THR A 65 -0.044 2.060 -0.156 1.00 0.00 C ATOM 926 OG1 THR A 65 0.970 1.276 0.459 1.00 0.00 O ATOM 927 CG2 THR A 65 0.509 3.459 -0.468 1.00 0.00 C ATOM 0 H THR A 65 -0.315 2.250 2.677 1.00 0.00 H new ATOM 0 HA THR A 65 -2.039 2.769 0.333 1.00 0.00 H new ATOM 0 HB THR A 65 -0.360 1.591 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.742 1.210 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.366 3.371 -1.136 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.265 4.058 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.820 3.942 0.458 1.00 0.00 H new ATOM 935 N CYS A 66 -2.797 0.384 0.191 1.00 0.00 N ATOM 936 CA CYS A 66 -3.393 -0.958 0.211 1.00 0.00 C ATOM 937 C CYS A 66 -3.354 -1.550 -1.196 1.00 0.00 C ATOM 938 O CYS A 66 -3.720 -0.876 -2.164 1.00 0.00 O ATOM 939 CB CYS A 66 -4.845 -0.903 0.718 1.00 0.00 C ATOM 940 SG CYS A 66 -4.874 -0.394 2.467 1.00 0.00 S ATOM 0 H CYS A 66 -3.191 0.999 -0.521 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.819 -1.588 0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.423 -0.201 0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.315 -1.880 0.607 1.00 0.00 H new ATOM 945 N THR A 67 -2.868 -2.791 -1.312 1.00 0.00 N ATOM 946 CA THR A 67 -2.731 -3.444 -2.623 1.00 0.00 C ATOM 947 C THR A 67 -3.335 -4.854 -2.602 1.00 0.00 C ATOM 948 O THR A 67 -3.095 -5.622 -1.674 1.00 0.00 O ATOM 949 CB THR A 67 -1.244 -3.504 -3.010 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.702 -2.190 -2.971 1.00 0.00 O ATOM 951 CG2 THR A 67 -1.080 -4.067 -4.432 1.00 0.00 C ATOM 0 H THR A 67 -2.565 -3.361 -0.522 1.00 0.00 H new ATOM 0 HA THR A 67 -3.276 -2.860 -3.365 1.00 0.00 H new ATOM 0 HB THR A 67 -0.722 -4.154 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.247 -2.220 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.021 -4.102 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.498 -5.073 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.604 -3.425 -5.140 1.00 0.00 H new ATOM 959 N ILE A 68 -4.125 -5.173 -3.633 1.00 0.00 N ATOM 960 CA ILE A 68 -4.771 -6.496 -3.733 1.00 0.00 C ATOM 961 C ILE A 68 -4.465 -7.148 -5.095 1.00 0.00 C ATOM 962 O ILE A 68 -4.756 -6.567 -6.141 1.00 0.00 O ATOM 963 CB ILE A 68 -6.307 -6.357 -3.557 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.610 -5.666 -2.208 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.958 -7.765 -3.564 1.00 0.00 C ATOM 966 CD1 ILE A 68 -8.087 -5.266 -2.138 1.00 0.00 C ATOM 0 H ILE A 68 -4.334 -4.542 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.373 -7.130 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.712 -5.761 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.368 -6.338 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.981 -4.783 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.037 -7.668 -3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.744 -8.260 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.551 -8.358 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.288 -4.780 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.316 -4.577 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.710 -6.156 -2.230 1.00 0.00 H new ATOM 978 N TRP A 69 -3.950 -8.388 -5.063 1.00 0.00 N ATOM 979 CA TRP A 69 -3.690 -9.150 -6.303 1.00 0.00 C ATOM 980 C TRP A 69 -3.788 -10.651 -6.032 1.00 0.00 C ATOM 981 O TRP A 69 -3.705 -11.083 -4.874 1.00 0.00 O ATOM 982 CB TRP A 69 -2.295 -8.793 -6.905 1.00 0.00 C ATOM 983 CG TRP A 69 -1.179 -9.277 -6.018 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.498 -10.435 -6.188 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.630 -8.650 -4.839 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.445 -10.547 -5.183 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.400 -9.471 -4.325 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.922 -7.456 -4.175 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.116 -9.118 -3.189 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.203 -7.092 -3.020 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.816 -7.928 -2.531 1.00 0.00 C ATOM 0 H TRP A 69 -3.707 -8.883 -4.205 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.449 -8.874 -7.035 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -2.197 -9.241 -7.894 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -2.218 -7.714 -7.035 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.664 -11.152 -6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.093 -11.329 -5.089 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.702 -6.810 -4.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.900 -9.762 -2.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.435 -6.169 -2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.366 -7.647 -1.645 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.935 -11.442 -7.102 1.00 0.00 N ATOM 1003 CA ARG A 70 -4.006 -12.895 -6.955 1.00 0.00 C ATOM 1004 C ARG A 70 -2.561 -13.521 -7.003 1.00 0.00 C ATOM 1005 O ARG A 70 -1.676 -12.962 -7.655 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.946 -13.511 -8.031 1.00 0.00 C ATOM 1007 CG ARG A 70 -4.249 -13.577 -9.391 1.00 0.00 C ATOM 1008 CD ARG A 70 -5.240 -13.995 -10.471 1.00 0.00 C ATOM 1009 NE ARG A 70 -6.202 -12.909 -10.730 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.909 -11.835 -11.512 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -4.724 -11.699 -12.077 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -6.816 -10.922 -11.710 1.00 0.00 N ATOM 0 H ARG A 70 -4.006 -11.105 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.434 -13.132 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.250 -14.512 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.854 -12.913 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.821 -12.605 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.423 -14.287 -9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.706 -14.243 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.771 -14.894 -10.158 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.127 -12.965 -10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.005 -12.408 -11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.527 -10.885 -12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.736 -11.016 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.606 -10.113 -12.295 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.311 -14.645 -6.305 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.947 -15.296 -6.269 1.00 0.00 C ATOM 1028 C PRO A 71 -0.590 -16.049 -7.559 1.00 0.00 C ATOM 1029 O PRO A 71 0.581 -16.111 -7.948 1.00 0.00 O ATOM 1030 CB PRO A 71 -1.075 -16.279 -5.115 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.516 -16.664 -5.122 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.283 -15.413 -5.489 1.00 0.00 C ATOM 0 HA PRO A 71 -0.155 -14.555 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.430 -17.146 -5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.789 -15.821 -4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.703 -17.461 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.824 -17.038 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.186 -15.646 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.594 -14.857 -4.604 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.598 -16.663 -8.175 1.00 0.00 N ATOM 1041 CA GLN A 72 -1.407 -17.480 -9.384 1.00 0.00 C ATOM 1042 C GLN A 72 -0.901 -16.648 -10.560 1.00 0.00 C ATOM 1043 O GLN A 72 -0.091 -17.115 -11.367 1.00 0.00 O ATOM 1044 CB GLN A 72 -2.725 -18.157 -9.761 1.00 0.00 C ATOM 1045 CG GLN A 72 -3.063 -19.236 -8.730 1.00 0.00 C ATOM 1046 CD GLN A 72 -4.376 -19.918 -9.099 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -4.621 -20.202 -10.272 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -5.240 -20.200 -8.163 1.00 0.00 N ATOM 0 H GLN A 72 -2.566 -16.613 -7.857 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.651 -18.233 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.525 -17.418 -9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.646 -18.600 -10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.261 -19.973 -8.686 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.141 -18.791 -7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.035 -19.964 -7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.120 -20.657 -8.402 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.422 -15.441 -10.663 1.00 0.00 N ATOM 1058 CA GLY A 73 -1.092 -14.524 -11.750 1.00 0.00 C ATOM 1059 C GLY A 73 -2.296 -14.322 -12.673 1.00 0.00 C ATOM 1060 O GLY A 73 -2.534 -13.210 -13.157 1.00 0.00 O ATOM 0 H GLY A 73 -2.091 -15.061 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.777 -13.564 -11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.251 -14.917 -12.322 1.00 0.00 H new ATOM 1064 N LYS A 74 -3.074 -15.399 -12.887 1.00 0.00 N ATOM 1065 CA LYS A 74 -4.279 -15.331 -13.723 1.00 0.00 C ATOM 1066 C LYS A 74 -5.408 -16.194 -13.152 1.00 0.00 C ATOM 1067 O LYS A 74 -5.209 -17.375 -12.852 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.967 -15.767 -15.165 1.00 0.00 C ATOM 1069 CG LYS A 74 -3.359 -17.186 -15.183 1.00 0.00 C ATOM 1070 CD LYS A 74 -3.019 -17.595 -16.624 1.00 0.00 C ATOM 1071 CE LYS A 74 -1.766 -16.847 -17.101 1.00 0.00 C ATOM 1072 NZ LYS A 74 -1.385 -17.332 -18.457 1.00 0.00 N ATOM 0 H LYS A 74 -2.888 -16.321 -12.493 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.612 -14.293 -13.729 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.879 -15.748 -15.762 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.273 -15.062 -15.622 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.460 -17.213 -14.567 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.063 -17.897 -14.751 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.852 -18.671 -16.675 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.859 -17.371 -17.282 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.958 -15.774 -17.127 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.945 -17.007 -16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.536 -16.826 -18.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.186 -18.352 -18.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.167 -17.157 -19.120 1.00 0.00 H new ATOM 1086 N SER A 75 -6.605 -15.603 -13.045 1.00 0.00 N ATOM 1087 CA SER A 75 -7.793 -16.325 -12.567 1.00 0.00 C ATOM 1088 C SER A 75 -8.877 -16.339 -13.641 1.00 0.00 C ATOM 1089 O SER A 75 -9.137 -15.307 -14.272 1.00 0.00 O ATOM 1090 CB SER A 75 -8.334 -15.681 -11.291 1.00 0.00 C ATOM 1091 OG SER A 75 -9.534 -16.339 -10.905 1.00 0.00 O ATOM 0 H SER A 75 -6.777 -14.626 -13.283 1.00 0.00 H new ATOM 0 HA SER A 75 -7.502 -17.352 -12.346 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.595 -15.751 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.524 -14.621 -11.458 1.00 0.00 H new ATOM 0 HG SER A 75 -9.796 -16.042 -10.009 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.519 -17.505 -13.845 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.583 -17.613 -14.852 1.00 0.00 C ATOM 1099 C TYR A 76 -11.968 -17.444 -14.209 1.00 0.00 C ATOM 1100 O TYR A 76 -12.638 -18.423 -13.856 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.495 -18.965 -15.577 1.00 0.00 C ATOM 1102 CG TYR A 76 -9.202 -19.039 -16.355 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -8.055 -19.577 -15.757 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -9.149 -18.571 -17.674 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -6.857 -19.646 -16.477 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -7.951 -18.640 -18.395 1.00 0.00 C ATOM 1107 CZ TYR A 76 -6.805 -19.178 -17.797 1.00 0.00 C ATOM 1108 OH TYR A 76 -5.624 -19.245 -18.506 1.00 0.00 O ATOM 0 H TYR A 76 -9.323 -18.367 -13.336 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.445 -16.813 -15.579 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.544 -19.780 -14.855 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.344 -19.084 -16.250 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.095 -19.939 -14.740 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.033 -18.156 -18.135 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.973 -20.060 -16.015 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.911 -18.278 -19.412 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.761 -18.880 -19.405 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.393 -16.186 -14.102 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.704 -15.836 -13.556 1.00 0.00 C ATOM 1120 C LEU A 77 -14.291 -14.666 -14.337 1.00 0.00 C ATOM 1121 O LEU A 77 -13.539 -13.798 -14.801 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.579 -15.458 -12.070 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.251 -16.703 -11.225 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.818 -16.262 -9.826 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.498 -17.585 -11.095 1.00 0.00 C ATOM 0 H LEU A 77 -11.838 -15.380 -14.391 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.364 -16.699 -13.645 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.798 -14.709 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.510 -15.010 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.452 -17.264 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.585 -17.140 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.934 -15.628 -9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.626 -15.703 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.261 -18.464 -10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.294 -17.020 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.827 -17.898 -12.086 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.631 -14.599 -14.433 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.274 -13.469 -15.103 1.00 0.00 C ATOM 1139 C TYR A 78 -16.637 -12.423 -14.062 1.00 0.00 C ATOM 1140 O TYR A 78 -17.640 -12.555 -13.373 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.527 -13.930 -15.852 1.00 0.00 C ATOM 1142 CG TYR A 78 -18.031 -12.810 -16.734 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.516 -12.647 -18.027 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -19.010 -11.934 -16.257 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.981 -11.607 -18.840 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.474 -10.896 -17.069 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.961 -10.731 -18.361 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.421 -9.704 -19.159 1.00 0.00 O ATOM 0 H TYR A 78 -16.272 -15.300 -14.062 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.586 -13.040 -15.831 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -17.299 -14.808 -16.456 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.300 -14.223 -15.142 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.760 -13.324 -18.396 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.408 -12.059 -15.261 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.584 -11.481 -19.836 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.230 -10.219 -16.699 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.401 -9.712 -19.171 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.780 -11.409 -13.924 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.975 -10.370 -12.912 1.00 0.00 C ATOM 1160 C PHE A 79 -17.009 -9.353 -13.361 1.00 0.00 C ATOM 1161 O PHE A 79 -16.974 -8.888 -14.498 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.651 -9.662 -12.624 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.700 -10.622 -11.950 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.797 -11.368 -12.717 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.723 -10.766 -10.559 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.918 -12.258 -12.092 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.843 -11.657 -9.934 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.939 -12.402 -10.701 1.00 0.00 C ATOM 0 H PHE A 79 -14.947 -11.286 -14.499 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.337 -10.851 -12.003 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.215 -9.293 -13.552 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.822 -8.795 -11.986 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.779 -11.256 -13.791 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.419 -10.190 -9.968 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.222 -12.835 -12.684 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.861 -11.770 -8.860 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.258 -13.088 -10.219 1.00 0.00 H new ATOM 1178 N THR A 80 -17.928 -9.003 -12.453 1.00 0.00 N ATOM 1179 CA THR A 80 -18.961 -8.022 -12.766 1.00 0.00 C ATOM 1180 C THR A 80 -18.350 -6.617 -12.809 1.00 0.00 C ATOM 1181 O THR A 80 -18.627 -5.845 -13.723 1.00 0.00 O ATOM 1182 CB THR A 80 -20.087 -8.092 -11.714 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.624 -9.407 -11.694 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.211 -7.101 -12.059 1.00 0.00 C ATOM 0 H THR A 80 -17.974 -9.382 -11.507 1.00 0.00 H new ATOM 0 HA THR A 80 -19.386 -8.246 -13.745 1.00 0.00 H new ATOM 0 HB THR A 80 -19.673 -7.834 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.339 -9.458 -11.026 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.996 -7.165 -11.306 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.809 -6.088 -12.080 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.625 -7.347 -13.037 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.492 -6.312 -11.818 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.803 -4.998 -11.733 1.00 0.00 C ATOM 1194 C GLN A 81 -16.013 -4.891 -10.431 1.00 0.00 C ATOM 1195 O GLN A 81 -16.218 -5.690 -9.510 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.806 -3.820 -11.838 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.887 -3.951 -10.754 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.968 -2.900 -10.961 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.670 -1.711 -11.031 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.216 -3.271 -11.064 1.00 0.00 N ATOM 0 H GLN A 81 -17.255 -6.954 -11.062 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.116 -4.935 -12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.279 -2.872 -11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.268 -3.812 -12.825 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.327 -4.948 -10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.439 -3.833 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.461 -4.259 -11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.946 -2.572 -11.203 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.120 -3.889 -10.350 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.315 -3.680 -9.131 1.00 0.00 C ATOM 1211 C PHE A 82 -14.426 -2.243 -8.628 1.00 0.00 C ATOM 1212 O PHE A 82 -14.486 -1.302 -9.428 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.847 -3.963 -9.395 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.632 -5.390 -9.840 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -12.645 -5.705 -11.203 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.396 -6.391 -8.892 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -12.423 -7.022 -11.618 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -12.177 -7.709 -9.306 1.00 0.00 C ATOM 1219 CZ PHE A 82 -12.189 -8.024 -10.671 1.00 0.00 C ATOM 0 H PHE A 82 -14.938 -3.221 -11.099 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.706 -4.367 -8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.476 -3.282 -10.161 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -12.270 -3.771 -8.491 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.826 -4.931 -11.934 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.383 -6.146 -7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.432 -7.265 -12.670 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.999 -8.483 -8.574 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.018 -9.041 -10.992 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.405 -2.078 -7.296 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.453 -0.742 -6.683 1.00 0.00 C ATOM 1231 C LYS A 83 -13.586 -0.709 -5.426 1.00 0.00 C ATOM 1232 O LYS A 83 -13.485 -1.716 -4.713 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.896 -0.360 -6.335 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.736 -0.413 -7.605 1.00 0.00 C ATOM 1235 CD LYS A 83 -18.168 0.000 -7.307 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.979 -0.133 -8.584 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.391 0.265 -8.324 1.00 0.00 N ATOM 0 H LYS A 83 -14.355 -2.847 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.066 -0.019 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.298 -1.044 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.928 0.640 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.309 0.248 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.720 -1.421 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.589 -0.629 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.199 1.027 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.552 0.496 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.941 -1.161 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.944 0.173 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.796 -0.352 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.419 1.252 -7.999 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.965 0.448 -5.152 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.110 0.596 -3.970 1.00 0.00 C ATOM 1253 C ALA A 84 -12.235 1.988 -3.367 1.00 0.00 C ATOM 1254 O ALA A 84 -12.335 2.982 -4.094 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.653 0.320 -4.340 1.00 0.00 C ATOM 0 H ALA A 84 -13.039 1.286 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.439 -0.128 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.026 0.432 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.561 -0.696 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.332 1.027 -5.105 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.210 2.053 -2.029 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.303 3.325 -1.316 1.00 0.00 C ATOM 1263 C GLU A 85 -11.671 3.208 0.076 1.00 0.00 C ATOM 1264 O GLU A 85 -11.314 2.112 0.500 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.771 3.784 -1.231 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.610 2.760 -0.443 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.079 3.185 -0.410 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.335 4.366 -0.225 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.927 2.323 -0.571 1.00 0.00 O ATOM 0 H GLU A 85 -12.126 1.237 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.747 4.081 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.826 4.759 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.180 3.903 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.520 1.776 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.227 2.673 0.574 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.507 4.346 0.762 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.885 4.360 2.103 1.00 0.00 C ATOM 1278 C VAL A 86 -11.733 5.126 3.112 1.00 0.00 C ATOM 1279 O VAL A 86 -12.568 5.956 2.734 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.470 4.967 2.046 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.572 4.098 1.166 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.525 6.392 1.463 1.00 0.00 C ATOM 0 H VAL A 86 -11.791 5.264 0.420 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.816 3.323 2.433 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.066 5.008 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.572 4.530 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.517 3.092 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.986 4.051 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.519 6.810 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.939 6.357 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.156 7.019 2.093 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.495 4.854 4.404 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.219 5.534 5.484 1.00 0.00 C ATOM 1294 C ARG A 87 -11.254 6.124 6.499 1.00 0.00 C ATOM 1295 O ARG A 87 -10.194 5.543 6.780 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.174 4.567 6.191 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.219 4.019 5.204 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.234 5.112 4.828 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.958 5.572 6.031 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.021 4.909 6.557 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.472 3.793 6.013 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.607 5.382 7.623 1.00 0.00 N ATOM 0 H ARG A 87 -10.809 4.170 4.724 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.796 6.342 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.609 3.742 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.675 5.078 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.722 3.652 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.738 3.171 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.719 5.952 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.941 4.725 4.095 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.645 6.428 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.021 3.412 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.272 3.312 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.266 6.242 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.406 4.892 8.026 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.627 7.287 7.040 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.798 7.989 8.022 1.00 0.00 C ATOM 1318 C GLY A 88 -9.623 8.731 7.352 1.00 0.00 C ATOM 1319 O GLY A 88 -8.708 9.194 8.039 1.00 0.00 O ATOM 0 H GLY A 88 -12.500 7.763 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.412 8.702 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.410 7.274 8.748 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.642 8.808 6.005 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.568 9.449 5.254 1.00 0.00 C ATOM 1325 C ALA A 89 -9.019 9.800 3.838 1.00 0.00 C ATOM 1326 O ALA A 89 -10.120 9.433 3.418 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.360 8.528 5.196 1.00 0.00 C ATOM 0 H ALA A 89 -10.392 8.432 5.426 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.299 10.374 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.561 9.011 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.015 8.316 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.637 7.595 4.704 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.150 10.508 3.105 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.443 10.909 1.724 1.00 0.00 C ATOM 1335 C GLU A 90 -7.502 10.217 0.745 1.00 0.00 C ATOM 1336 O GLU A 90 -6.369 9.875 1.093 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.347 12.441 1.567 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.939 12.936 1.958 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.851 14.457 1.815 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.390 14.980 0.849 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.243 15.076 2.675 1.00 0.00 O ATOM 0 H GLU A 90 -7.239 10.815 3.446 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.463 10.601 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.565 12.721 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.096 12.925 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.717 12.647 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.190 12.461 1.324 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.992 10.009 -0.473 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.221 9.354 -1.527 1.00 0.00 C ATOM 1350 C ILE A 91 -6.435 10.353 -2.344 1.00 0.00 C ATOM 1351 O ILE A 91 -6.972 11.382 -2.771 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.131 8.526 -2.465 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.318 9.387 -2.976 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -8.658 7.295 -1.724 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -10.002 8.690 -4.161 1.00 0.00 C ATOM 0 H ILE A 91 -8.931 10.288 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.523 8.681 -1.029 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.543 8.204 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.037 9.544 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.960 10.371 -3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.298 6.716 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.819 6.679 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.232 7.612 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.833 9.301 -4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.283 8.556 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.376 7.717 -3.844 1.00 0.00 H new ATOM 1367 N GLU A 92 -5.180 10.008 -2.622 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.330 10.831 -3.470 1.00 0.00 C ATOM 1369 C GLU A 92 -4.329 10.270 -4.876 1.00 0.00 C ATOM 1370 O GLU A 92 -4.402 11.019 -5.855 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.899 10.900 -2.937 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.909 11.599 -1.581 1.00 0.00 C ATOM 1373 CD GLU A 92 -3.445 10.658 -0.549 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -2.943 9.549 -0.473 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -4.373 11.047 0.134 1.00 0.00 O ATOM 0 H GLU A 92 -4.731 9.162 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.731 11.844 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.484 9.897 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.262 11.443 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.901 11.916 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.524 12.498 -1.626 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.296 8.921 -4.968 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.346 8.249 -6.262 1.00 0.00 C ATOM 1384 C TYR A 93 -4.686 6.769 -6.111 1.00 0.00 C ATOM 1385 O TYR A 93 -3.982 6.025 -5.420 1.00 0.00 O ATOM 1386 CB TYR A 93 -3.010 8.396 -6.990 1.00 0.00 C ATOM 1387 CG TYR A 93 -3.201 8.143 -8.475 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -3.601 9.191 -9.314 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.985 6.867 -9.005 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -3.784 8.963 -10.684 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -3.168 6.641 -10.377 1.00 0.00 C ATOM 1392 CZ TYR A 93 -3.568 7.687 -11.214 1.00 0.00 C ATOM 1393 OH TYR A 93 -3.749 7.462 -12.563 1.00 0.00 O ATOM 0 H TYR A 93 -4.236 8.294 -4.166 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.134 8.724 -6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.607 9.396 -6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.284 7.692 -6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.769 10.176 -8.904 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.678 6.058 -8.359 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.092 9.772 -11.330 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.000 5.657 -10.788 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.556 6.523 -12.767 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.736 6.344 -6.810 1.00 0.00 N ATOM 1404 CA ALA A 94 -6.155 4.941 -6.821 1.00 0.00 C ATOM 1405 C ALA A 94 -6.131 4.406 -8.254 1.00 0.00 C ATOM 1406 O ALA A 94 -6.620 5.067 -9.177 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.565 4.807 -6.239 1.00 0.00 C ATOM 0 H ALA A 94 -6.318 6.956 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.465 4.360 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.866 3.759 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.571 5.173 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.263 5.393 -6.837 1.00 0.00 H new ATOM 1413 N MET A 95 -5.531 3.223 -8.438 1.00 0.00 N ATOM 1414 CA MET A 95 -5.408 2.616 -9.770 1.00 0.00 C ATOM 1415 C MET A 95 -5.266 1.097 -9.688 1.00 0.00 C ATOM 1416 O MET A 95 -5.093 0.541 -8.608 1.00 0.00 O ATOM 1417 CB MET A 95 -4.214 3.225 -10.537 1.00 0.00 C ATOM 1418 CG MET A 95 -2.903 2.968 -9.774 1.00 0.00 C ATOM 1419 SD MET A 95 -1.510 3.655 -10.707 1.00 0.00 S ATOM 1420 CE MET A 95 -0.213 3.249 -9.511 1.00 0.00 C ATOM 0 H MET A 95 -5.124 2.669 -7.684 1.00 0.00 H new ATOM 0 HA MET A 95 -6.327 2.835 -10.314 1.00 0.00 H new ATOM 0 HB2 MET A 95 -4.154 2.790 -11.535 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.364 4.297 -10.665 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.951 3.424 -8.785 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.761 1.898 -9.625 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.753 3.573 -9.898 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.416 3.757 -8.568 1.00 0.00 H new ATOM 0 HE3 MET A 95 -0.195 2.172 -9.346 1.00 0.00 H new ATOM 1430 N ALA A 96 -5.342 0.443 -10.850 1.00 0.00 N ATOM 1431 CA ALA A 96 -5.218 -1.012 -10.938 1.00 0.00 C ATOM 1432 C ALA A 96 -4.395 -1.393 -12.169 1.00 0.00 C ATOM 1433 O ALA A 96 -4.321 -0.626 -13.125 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.617 -1.658 -11.012 1.00 0.00 C ATOM 0 H ALA A 96 -5.490 0.903 -11.748 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.709 -1.379 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.515 -2.741 -11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.184 -1.400 -10.118 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.142 -1.289 -11.893 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.773 -2.585 -12.135 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.962 -3.059 -13.273 1.00 0.00 C ATOM 1442 C TYR A 97 -3.525 -4.344 -13.866 1.00 0.00 C ATOM 1443 O TYR A 97 -3.438 -5.412 -13.252 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.516 -3.286 -12.845 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.867 -1.965 -12.517 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.864 -1.488 -11.200 1.00 0.00 C ATOM 1447 CD2 TYR A 97 -0.265 -1.215 -13.533 1.00 0.00 C ATOM 1448 CE1 TYR A 97 -0.257 -0.261 -10.902 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.341 0.009 -13.236 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.344 0.487 -11.922 1.00 0.00 C ATOM 1451 OH TYR A 97 0.941 1.696 -11.630 1.00 0.00 O ATOM 0 H TYR A 97 -3.814 -3.230 -11.346 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.995 -2.284 -14.038 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.483 -3.943 -11.976 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.965 -3.784 -13.643 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.329 -2.066 -10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.269 -1.582 -14.549 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.253 0.108 -9.887 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.807 0.586 -14.021 1.00 0.00 H new ATOM 0 HH TYR A 97 1.311 2.085 -12.450 1.00 0.00 H new ATOM 1461 N SER A 98 -4.083 -4.233 -15.076 1.00 0.00 N ATOM 1462 CA SER A 98 -4.645 -5.389 -15.783 1.00 0.00 C ATOM 1463 C SER A 98 -3.565 -6.402 -16.116 1.00 0.00 C ATOM 1464 O SER A 98 -3.785 -7.613 -16.015 1.00 0.00 O ATOM 1465 CB SER A 98 -5.331 -4.938 -17.066 1.00 0.00 C ATOM 1466 OG SER A 98 -6.465 -4.155 -16.736 1.00 0.00 O ATOM 0 H SER A 98 -4.158 -3.353 -15.587 1.00 0.00 H new ATOM 0 HA SER A 98 -5.375 -5.861 -15.126 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.640 -4.359 -17.678 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.631 -5.804 -17.656 1.00 0.00 H new ATOM 0 HG SER A 98 -7.273 -4.704 -16.806 1.00 0.00 H new ATOM 1472 N LYS A 99 -2.403 -5.897 -16.537 1.00 0.00 N ATOM 1473 CA LYS A 99 -1.280 -6.757 -16.917 1.00 0.00 C ATOM 1474 C LYS A 99 -0.025 -6.364 -16.144 1.00 0.00 C ATOM 1475 O LYS A 99 0.373 -5.194 -16.144 1.00 0.00 O ATOM 1476 CB LYS A 99 -1.029 -6.645 -18.439 1.00 0.00 C ATOM 1477 CG LYS A 99 0.081 -7.622 -18.898 1.00 0.00 C ATOM 1478 CD LYS A 99 -0.412 -9.075 -18.792 1.00 0.00 C ATOM 1479 CE LYS A 99 0.643 -10.019 -19.374 1.00 0.00 C ATOM 1480 NZ LYS A 99 0.163 -11.425 -19.268 1.00 0.00 N ATOM 0 H LYS A 99 -2.215 -4.898 -16.623 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.526 -7.790 -16.672 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.951 -6.859 -18.979 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.743 -5.623 -18.689 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.367 -7.402 -19.926 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.971 -7.487 -18.284 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.606 -9.329 -17.750 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.354 -9.190 -19.329 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.836 -9.767 -20.417 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.585 -9.904 -18.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.879 -12.067 -19.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.000 -11.662 -18.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.726 -11.529 -19.798 1.00 0.00 H new ATOM 1494 N ALA A 100 0.597 -7.352 -15.490 1.00 0.00 N ATOM 1495 CA ALA A 100 1.812 -7.115 -14.714 1.00 0.00 C ATOM 1496 C ALA A 100 3.034 -7.136 -15.620 1.00 0.00 C ATOM 1497 O ALA A 100 3.176 -8.028 -16.464 1.00 0.00 O ATOM 1498 CB ALA A 100 1.956 -8.175 -13.620 1.00 0.00 C ATOM 0 H ALA A 100 0.277 -8.320 -15.485 1.00 0.00 H new ATOM 0 HA ALA A 100 1.738 -6.132 -14.248 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.865 -7.987 -13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.094 -8.131 -12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.012 -9.163 -14.076 1.00 0.00 H new ATOM 1599 N ASP A 107 3.900 -2.748 -17.641 1.00 0.00 N ATOM 1600 CA ASP A 107 2.598 -3.156 -17.165 1.00 0.00 C ATOM 1601 C ASP A 107 1.501 -2.306 -17.805 1.00 0.00 C ATOM 1602 O ASP A 107 1.777 -1.216 -18.319 1.00 0.00 O ATOM 1603 CB ASP A 107 2.560 -3.029 -15.639 1.00 0.00 C ATOM 1604 CG ASP A 107 2.682 -1.556 -15.173 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.742 -0.665 -16.017 1.00 0.00 O ATOM 1606 OD2 ASP A 107 2.717 -1.348 -13.971 1.00 0.00 O ATOM 0 HA ASP A 107 2.420 -4.194 -17.445 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.628 -3.451 -15.264 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.372 -3.614 -15.207 1.00 0.00 H new ATOM 1611 N VAL A 108 0.256 -2.807 -17.769 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.883 -2.076 -18.353 1.00 0.00 C ATOM 1613 C VAL A 108 -1.865 -1.617 -17.230 1.00 0.00 C ATOM 1614 O VAL A 108 -2.597 -2.449 -16.686 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.630 -2.985 -19.370 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.798 -2.221 -20.015 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.661 -3.434 -20.477 1.00 0.00 C ATOM 0 H VAL A 108 0.013 -3.704 -17.348 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.505 -1.194 -18.871 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.016 -3.854 -18.836 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.310 -2.871 -20.724 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.498 -1.905 -19.241 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.415 -1.344 -20.538 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.189 -4.071 -21.187 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.270 -2.559 -20.996 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.164 -3.992 -20.034 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.920 -0.302 -16.889 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.861 0.211 -15.848 1.00 0.00 C ATOM 1629 C PRO A 109 -4.263 0.486 -16.403 1.00 0.00 C ATOM 1630 O PRO A 109 -4.408 1.018 -17.508 1.00 0.00 O ATOM 1631 CB PRO A 109 -2.202 1.512 -15.409 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.562 2.039 -16.650 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.096 0.816 -17.447 1.00 0.00 C ATOM 0 HA PRO A 109 -3.015 -0.509 -15.044 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.934 2.214 -15.010 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.466 1.340 -14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.268 2.634 -17.229 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.721 2.689 -16.408 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.267 0.945 -18.516 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.030 0.633 -17.314 1.00 0.00 H new ATOM 1641 N LEU A 110 -5.286 0.184 -15.593 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.677 0.470 -15.962 1.00 0.00 C ATOM 1643 C LEU A 110 -6.976 1.958 -15.817 1.00 0.00 C ATOM 1644 O LEU A 110 -6.377 2.640 -14.978 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.657 -0.348 -15.104 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.611 -1.834 -15.508 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -8.371 -2.671 -14.470 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -8.280 -2.016 -16.888 1.00 0.00 C ATOM 0 H LEU A 110 -5.176 -0.257 -14.680 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.809 0.183 -17.005 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.402 -0.243 -14.049 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.669 0.038 -15.228 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.572 -2.161 -15.557 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.338 -3.722 -14.756 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.907 -2.546 -13.492 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.408 -2.339 -14.424 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.247 -3.068 -17.173 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.318 -1.687 -16.835 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.748 -1.422 -17.631 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.880 2.460 -16.664 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.235 3.880 -16.664 1.00 0.00 C ATOM 1662 C LYS A 111 -9.137 4.245 -15.477 1.00 0.00 C ATOM 1663 O LYS A 111 -9.891 3.408 -14.975 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.915 4.260 -18.006 1.00 0.00 C ATOM 1665 CG LYS A 111 -10.308 3.600 -18.126 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.921 3.948 -19.486 1.00 0.00 C ATOM 1667 CE LYS A 111 -12.302 3.303 -19.608 1.00 0.00 C ATOM 1668 NZ LYS A 111 -12.900 3.656 -20.926 1.00 0.00 N ATOM 0 H LYS A 111 -8.379 1.903 -17.358 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.314 4.453 -16.556 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.015 5.343 -18.074 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.286 3.945 -18.839 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.220 2.519 -18.020 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.958 3.947 -17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.003 5.030 -19.593 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.273 3.597 -20.289 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.219 2.220 -19.512 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.948 3.646 -18.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.839 3.218 -21.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.992 4.689 -21.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.286 3.308 -21.690 1.00 0.00 H new ATOM 1682 N THR A 112 -9.091 5.519 -15.091 1.00 0.00 N ATOM 1683 CA THR A 112 -9.943 6.042 -14.023 1.00 0.00 C ATOM 1684 C THR A 112 -11.422 5.952 -14.451 1.00 0.00 C ATOM 1685 O THR A 112 -12.301 5.660 -13.639 1.00 0.00 O ATOM 1686 CB THR A 112 -9.556 7.508 -13.712 1.00 0.00 C ATOM 1687 OG1 THR A 112 -8.188 7.555 -13.332 1.00 0.00 O ATOM 1688 CG2 THR A 112 -10.411 8.052 -12.556 1.00 0.00 C ATOM 0 H THR A 112 -8.468 6.213 -15.505 1.00 0.00 H new ATOM 0 HA THR A 112 -9.801 5.448 -13.120 1.00 0.00 H new ATOM 0 HB THR A 112 -9.726 8.116 -14.600 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.935 8.481 -13.135 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.128 9.084 -12.348 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.464 8.014 -12.833 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.248 7.445 -11.666 1.00 0.00 H new ATOM 1696 N GLU A 113 -11.669 6.232 -15.733 1.00 0.00 N ATOM 1697 CA GLU A 113 -13.012 6.221 -16.307 1.00 0.00 C ATOM 1698 C GLU A 113 -13.727 4.873 -16.091 1.00 0.00 C ATOM 1699 O GLU A 113 -14.940 4.793 -16.246 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.927 6.519 -17.798 1.00 0.00 C ATOM 1701 CG GLU A 113 -14.324 6.829 -18.352 1.00 0.00 C ATOM 1702 CD GLU A 113 -14.260 7.153 -19.852 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -13.279 7.749 -20.280 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -15.196 6.800 -20.550 1.00 0.00 O ATOM 0 H GLU A 113 -10.939 6.473 -16.403 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.596 6.988 -15.798 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.262 7.365 -17.971 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.499 5.665 -18.324 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.982 5.976 -18.188 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.755 7.672 -17.812 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.966 3.820 -15.752 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.551 2.491 -15.522 1.00 0.00 C ATOM 1713 C GLU A 114 -14.508 2.530 -14.325 1.00 0.00 C ATOM 1714 O GLU A 114 -15.560 1.881 -14.339 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.435 1.452 -15.267 1.00 0.00 C ATOM 1716 CG GLU A 114 -13.052 0.039 -15.068 1.00 0.00 C ATOM 1717 CD GLU A 114 -11.965 -1.031 -14.821 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.789 -0.691 -14.807 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -12.335 -2.181 -14.649 1.00 0.00 O ATOM 0 H GLU A 114 -11.954 3.863 -15.632 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.110 2.201 -16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.741 1.439 -16.108 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.861 1.734 -14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.741 0.059 -14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.634 -0.231 -15.949 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.118 3.269 -13.285 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.927 3.365 -12.059 1.00 0.00 C ATOM 1728 C PHE A 115 -14.677 4.676 -11.311 1.00 0.00 C ATOM 1729 O PHE A 115 -13.695 5.377 -11.569 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.669 2.153 -11.137 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.210 2.105 -10.717 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.794 2.764 -9.553 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.281 1.401 -11.493 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.448 2.719 -9.168 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.935 1.357 -11.105 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.519 2.014 -9.943 1.00 0.00 C ATOM 0 H PHE A 115 -13.253 3.809 -13.262 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.975 3.357 -12.360 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.306 2.218 -10.255 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.935 1.231 -11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.510 3.306 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.602 0.892 -12.390 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.126 3.229 -8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.218 0.815 -11.704 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.482 1.978 -9.643 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.595 5.003 -10.405 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.527 6.235 -9.624 1.00 0.00 C ATOM 1748 C GLU A 116 -15.323 5.923 -8.138 1.00 0.00 C ATOM 1749 O GLU A 116 -15.932 4.992 -7.599 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.825 7.032 -9.822 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.738 8.396 -9.101 1.00 0.00 C ATOM 1752 CD GLU A 116 -15.631 9.285 -9.708 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -15.263 9.065 -10.857 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -15.171 10.172 -9.009 1.00 0.00 O ATOM 0 H GLU A 116 -16.406 4.422 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.678 6.826 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -17.005 7.187 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.671 6.463 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.698 8.908 -9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.539 8.237 -8.041 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.472 6.718 -7.485 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.186 6.548 -6.055 1.00 0.00 C ATOM 1763 C VAL A 117 -14.384 7.865 -5.304 1.00 0.00 C ATOM 1764 O VAL A 117 -14.140 8.946 -5.850 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.746 6.025 -5.846 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.603 4.648 -6.499 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.728 6.994 -6.477 1.00 0.00 C ATOM 0 H VAL A 117 -13.967 7.488 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.884 5.813 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.551 5.951 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.588 4.279 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.311 3.955 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.809 4.728 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.719 6.613 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.923 7.081 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.821 7.975 -6.010 1.00 0.00 H new ATOM 1777 N THR A 118 -14.827 7.759 -4.052 1.00 0.00 N ATOM 1778 CA THR A 118 -15.066 8.925 -3.206 1.00 0.00 C ATOM 1779 C THR A 118 -14.546 8.672 -1.806 1.00 0.00 C ATOM 1780 O THR A 118 -14.368 7.518 -1.398 1.00 0.00 O ATOM 1781 CB THR A 118 -16.562 9.273 -3.159 1.00 0.00 C ATOM 1782 OG1 THR A 118 -17.088 9.277 -4.478 1.00 0.00 O ATOM 1783 CG2 THR A 118 -16.745 10.661 -2.539 1.00 0.00 C ATOM 0 H THR A 118 -15.029 6.868 -3.599 1.00 0.00 H new ATOM 0 HA THR A 118 -14.531 9.772 -3.636 1.00 0.00 H new ATOM 0 HB THR A 118 -17.087 8.532 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.042 9.497 -4.449 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.806 10.908 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.340 10.664 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.219 11.401 -3.142 1.00 0.00 H new ATOM 1791 N LYS A 119 -14.287 9.753 -1.083 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.760 9.667 0.278 1.00 0.00 C ATOM 1793 C LYS A 119 -14.632 8.770 1.177 1.00 0.00 C ATOM 1794 O LYS A 119 -14.155 8.272 2.203 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.643 11.078 0.886 1.00 0.00 C ATOM 1796 CG LYS A 119 -15.034 11.749 0.953 1.00 0.00 C ATOM 1797 CD LYS A 119 -14.898 13.205 1.420 1.00 0.00 C ATOM 1798 CE LYS A 119 -14.592 13.249 2.922 1.00 0.00 C ATOM 1799 NZ LYS A 119 -14.561 14.667 3.381 1.00 0.00 N ATOM 0 H LYS A 119 -14.433 10.706 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.771 9.211 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.213 11.016 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.967 11.686 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.509 11.717 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.679 11.198 1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.102 13.701 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.819 13.749 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.349 12.693 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.634 12.769 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.354 14.698 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.823 15.184 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.485 15.110 3.202 1.00 0.00 H new ATOM 1813 N THR A 120 -15.914 8.587 0.800 1.00 0.00 N ATOM 1814 CA THR A 120 -16.832 7.768 1.608 1.00 0.00 C ATOM 1815 C THR A 120 -17.918 7.070 0.762 1.00 0.00 C ATOM 1816 O THR A 120 -18.942 6.640 1.305 1.00 0.00 O ATOM 1817 CB THR A 120 -17.481 8.635 2.704 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.328 7.827 3.508 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.304 9.771 2.071 1.00 0.00 C ATOM 0 H THR A 120 -16.328 8.987 -0.042 1.00 0.00 H new ATOM 0 HA THR A 120 -16.238 6.977 2.066 1.00 0.00 H new ATOM 0 HB THR A 120 -16.695 9.071 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.715 7.113 2.960 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.756 10.375 2.858 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.652 10.397 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.088 9.347 1.444 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.691 6.961 -0.559 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.667 6.314 -1.452 1.00 0.00 C ATOM 1829 C ALA A 121 -18.022 5.863 -2.763 1.00 0.00 C ATOM 1830 O ALA A 121 -16.986 6.386 -3.166 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.826 7.268 -1.744 1.00 0.00 C ATOM 0 H ALA A 121 -16.853 7.307 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.044 5.427 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.542 6.779 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.320 7.537 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.444 8.168 -2.225 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.660 4.898 -3.432 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.171 4.394 -4.723 1.00 0.00 C ATOM 1839 C VAL A 122 -19.301 4.268 -5.726 1.00 0.00 C ATOM 1840 O VAL A 122 -20.452 4.019 -5.348 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.469 3.033 -4.558 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.231 3.209 -3.696 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -18.417 2.015 -3.894 1.00 0.00 C ATOM 0 H VAL A 122 -19.515 4.449 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.449 5.118 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.187 2.659 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -15.731 2.248 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -15.552 3.914 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.521 3.591 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.905 1.059 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -18.714 2.382 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -19.303 1.884 -4.515 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.957 4.397 -7.009 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.934 4.250 -8.077 1.00 0.00 C ATOM 1855 C ALA A 123 -19.253 3.839 -9.375 1.00 0.00 C ATOM 1856 O ALA A 123 -18.112 4.217 -9.627 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.706 5.554 -8.279 1.00 0.00 C ATOM 0 H ALA A 123 -18.010 4.602 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.636 3.467 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.432 5.426 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.226 5.816 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -20.011 6.351 -8.542 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.963 3.056 -10.192 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.432 2.586 -11.466 1.00 0.00 C ATOM 1865 C HIS A 124 -19.557 3.655 -12.553 1.00 0.00 C ATOM 1866 O HIS A 124 -20.455 4.503 -12.509 1.00 0.00 O ATOM 1867 CB HIS A 124 -20.144 1.283 -11.896 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.618 1.537 -12.140 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.532 1.645 -11.105 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.336 1.710 -13.296 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.741 1.874 -11.655 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.675 1.923 -12.988 1.00 0.00 N ATOM 0 H HIS A 124 -20.910 2.736 -9.989 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.371 2.377 -11.331 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.682 0.892 -12.802 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -20.023 0.524 -11.123 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.924 1.685 -14.294 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.651 2.002 -11.088 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.443 2.083 -13.640 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.667 3.579 -13.535 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.666 4.499 -14.666 1.00 0.00 C ATOM 1882 C ARG A 125 -18.976 3.752 -15.980 1.00 0.00 C ATOM 1883 O ARG A 125 -18.673 2.559 -16.088 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.307 5.180 -14.778 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.100 6.187 -13.628 1.00 0.00 C ATOM 1886 CD ARG A 125 -18.000 7.418 -13.840 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.626 8.500 -12.907 1.00 0.00 N ATOM 1888 CZ ARG A 125 -18.335 9.654 -12.784 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -19.419 9.872 -13.504 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -17.933 10.561 -11.939 1.00 0.00 N ATOM 0 H ARG A 125 -17.926 2.879 -13.570 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.440 5.248 -14.499 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.517 4.430 -14.756 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.231 5.695 -15.736 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.334 5.715 -12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.055 6.493 -13.585 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.910 7.769 -14.868 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -19.044 7.143 -13.688 1.00 0.00 H new ATOM 0 HE ARG A 125 -16.796 8.376 -12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -19.740 9.168 -14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.936 10.745 -13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.095 10.401 -11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -18.456 11.431 -11.837 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.533 4.432 -17.008 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.815 3.782 -18.331 1.00 0.00 C ATOM 1906 C PRO A 126 -18.539 3.206 -18.937 1.00 0.00 C ATOM 1907 O PRO A 126 -17.456 3.784 -18.781 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.352 4.931 -19.195 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.888 5.923 -18.221 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.956 5.862 -17.021 1.00 0.00 C ATOM 0 HA PRO A 126 -20.513 2.949 -18.249 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.563 5.366 -19.809 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.130 4.584 -19.875 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -20.908 6.924 -18.652 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.911 5.679 -17.936 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.106 6.535 -17.134 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.464 6.142 -16.099 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.669 2.060 -19.609 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.513 1.393 -20.222 1.00 0.00 C ATOM 1920 C GLY A 127 -16.755 0.499 -19.216 1.00 0.00 C ATOM 1921 O GLY A 127 -15.657 0.019 -19.519 1.00 0.00 O ATOM 0 H GLY A 127 -19.556 1.575 -19.743 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -17.849 0.787 -21.063 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -16.832 2.144 -20.623 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.348 0.279 -18.026 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.728 -0.552 -16.994 1.00 0.00 C ATOM 1927 C ALA A 128 -16.401 -1.940 -17.544 1.00 0.00 C ATOM 1928 O ALA A 128 -17.118 -2.467 -18.401 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.661 -0.676 -15.789 1.00 0.00 C ATOM 0 H ALA A 128 -18.254 0.668 -17.763 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.799 -0.075 -16.680 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.190 -1.297 -15.027 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.860 0.314 -15.379 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.599 -1.134 -16.101 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.295 -2.510 -17.060 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.828 -3.826 -17.512 1.00 0.00 C ATOM 1937 C PHE A 129 -15.520 -4.957 -16.765 1.00 0.00 C ATOM 1938 O PHE A 129 -15.754 -4.867 -15.555 1.00 0.00 O ATOM 1939 CB PHE A 129 -13.315 -3.944 -17.323 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.597 -3.081 -18.341 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -12.281 -1.754 -18.041 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -12.248 -3.618 -19.588 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.617 -0.961 -18.984 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.584 -2.826 -20.530 1.00 0.00 C ATOM 1945 CZ PHE A 129 -11.269 -1.497 -20.229 1.00 0.00 C ATOM 0 H PHE A 129 -14.702 -2.079 -16.351 1.00 0.00 H new ATOM 0 HA PHE A 129 -15.076 -3.913 -18.570 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -13.041 -3.635 -16.314 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -13.006 -4.984 -17.433 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.549 -1.339 -17.081 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.492 -4.644 -19.821 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.373 0.065 -18.751 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -11.314 -3.241 -21.490 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.757 -0.885 -20.957 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.815 -6.042 -17.496 1.00 0.00 N ATOM 1956 CA LYS A 130 -16.450 -7.225 -16.905 1.00 0.00 C ATOM 1957 C LYS A 130 -15.654 -8.489 -17.248 1.00 0.00 C ATOM 1958 O LYS A 130 -15.464 -9.366 -16.402 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.901 -7.375 -17.405 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.711 -6.096 -17.092 1.00 0.00 C ATOM 1961 CD LYS A 130 -20.149 -6.208 -17.680 1.00 0.00 C ATOM 1962 CE LYS A 130 -21.141 -6.662 -16.594 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.035 -8.133 -16.403 1.00 0.00 N ATOM 0 H LYS A 130 -15.624 -6.123 -18.495 1.00 0.00 H new ATOM 0 HA LYS A 130 -16.463 -7.093 -15.823 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.905 -7.563 -18.479 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -18.370 -8.236 -16.929 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -18.763 -5.945 -16.014 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -18.206 -5.226 -17.512 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -20.459 -5.244 -18.084 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -20.156 -6.918 -18.507 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.930 -6.148 -15.657 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -22.158 -6.395 -16.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.983 -8.533 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -20.607 -8.563 -17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -20.441 -8.333 -15.573 1.00 0.00 H new ATOM 1977 N ALA A 131 -15.197 -8.570 -18.500 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.427 -9.731 -18.975 1.00 0.00 C ATOM 1979 C ALA A 131 -12.918 -9.606 -18.667 1.00 0.00 C ATOM 1980 O ALA A 131 -12.151 -10.529 -18.958 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.630 -9.912 -20.481 1.00 0.00 C ATOM 0 H ALA A 131 -15.345 -7.848 -19.205 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.800 -10.604 -18.438 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -14.057 -10.773 -20.824 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.688 -10.074 -20.689 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.290 -9.018 -21.004 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.499 -8.456 -18.109 1.00 0.00 N ATOM 1988 CA GLU A 132 -11.087 -8.215 -17.805 1.00 0.00 C ATOM 1989 C GLU A 132 -10.812 -8.360 -16.299 1.00 0.00 C ATOM 1990 O GLU A 132 -11.533 -7.802 -15.467 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.677 -6.810 -18.303 1.00 0.00 C ATOM 1992 CG GLU A 132 -9.170 -6.558 -18.048 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.292 -7.549 -18.839 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.759 -8.076 -19.844 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.166 -7.764 -18.424 1.00 0.00 O ATOM 0 H GLU A 132 -13.119 -7.685 -17.862 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.488 -8.964 -18.323 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.891 -6.719 -19.368 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -11.269 -6.050 -17.793 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.917 -5.537 -18.334 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.959 -6.653 -16.983 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.736 -9.084 -15.975 1.00 0.00 N ATOM 2003 CA LEU A 133 -9.313 -9.287 -14.584 1.00 0.00 C ATOM 2004 C LEU A 133 -8.092 -8.414 -14.292 1.00 0.00 C ATOM 2005 O LEU A 133 -7.386 -8.011 -15.227 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.978 -10.778 -14.335 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.868 -11.270 -15.331 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -6.969 -12.333 -14.652 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -8.523 -11.873 -16.607 1.00 0.00 C ATOM 0 H LEU A 133 -9.138 -9.543 -16.662 1.00 0.00 H new ATOM 0 HA LEU A 133 -10.127 -9.003 -13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.638 -10.913 -13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.877 -11.383 -14.456 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.253 -10.416 -15.615 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -6.204 -12.665 -15.354 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -6.491 -11.898 -13.774 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -7.578 -13.185 -14.349 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.744 -12.211 -17.291 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.153 -12.718 -16.328 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.132 -11.113 -17.097 1.00 0.00 H new ATOM 2021 N SER A 134 -7.874 -8.062 -13.005 1.00 0.00 N ATOM 2022 CA SER A 134 -6.768 -7.164 -12.654 1.00 0.00 C ATOM 2023 C SER A 134 -6.512 -7.109 -11.150 1.00 0.00 C ATOM 2024 O SER A 134 -7.274 -7.661 -10.353 1.00 0.00 O ATOM 2025 CB SER A 134 -7.084 -5.759 -13.170 1.00 0.00 C ATOM 2026 OG SER A 134 -5.996 -4.894 -12.896 1.00 0.00 O ATOM 0 H SER A 134 -8.437 -8.380 -12.216 1.00 0.00 H new ATOM 0 HA SER A 134 -5.864 -7.555 -13.120 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.276 -5.790 -14.243 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.990 -5.382 -12.695 1.00 0.00 H new ATOM 0 HG SER A 134 -6.201 -3.995 -13.229 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.454 -6.368 -10.775 1.00 0.00 N ATOM 2033 CA LYS A 135 -5.110 -6.148 -9.373 1.00 0.00 C ATOM 2034 C LYS A 135 -5.258 -4.666 -9.033 1.00 0.00 C ATOM 2035 O LYS A 135 -5.064 -3.805 -9.894 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.671 -6.627 -9.065 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.642 -5.875 -9.930 1.00 0.00 C ATOM 2038 CD LYS A 135 -1.240 -6.421 -9.628 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.194 -5.662 -10.450 1.00 0.00 C ATOM 2040 NZ LYS A 135 -0.126 -4.246 -9.986 1.00 0.00 N ATOM 0 H LYS A 135 -4.823 -5.912 -11.434 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.794 -6.732 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.449 -6.469 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.593 -7.698 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.875 -6.001 -10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.683 -4.806 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -1.023 -6.320 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -1.197 -7.485 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.781 -6.137 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.453 -5.697 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -0.277 -3.608 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.862 -4.079 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.809 -4.062 -9.570 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.652 -4.388 -7.793 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.904 -3.013 -7.345 1.00 0.00 C ATOM 2056 C LEU A 136 -4.801 -2.494 -6.427 1.00 0.00 C ATOM 2057 O LEU A 136 -4.267 -3.230 -5.605 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.243 -2.954 -6.604 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.410 -3.125 -7.591 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.685 -3.480 -6.813 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.642 -1.802 -8.362 1.00 0.00 C ATOM 0 H LEU A 136 -5.805 -5.096 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.927 -2.379 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.281 -3.737 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.336 -2.001 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.170 -3.921 -8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -10.514 -3.602 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.531 -4.410 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.917 -2.680 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.470 -1.928 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.881 -1.007 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.739 -1.539 -8.913 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.528 -1.195 -6.538 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.565 -0.517 -5.676 1.00 0.00 C ATOM 2075 C VAL A 137 -4.080 0.893 -5.350 1.00 0.00 C ATOM 2076 O VAL A 137 -4.455 1.648 -6.254 1.00 0.00 O ATOM 2077 CB VAL A 137 -2.165 -0.475 -6.346 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -2.222 0.297 -7.666 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -1.147 0.190 -5.403 1.00 0.00 C ATOM 0 H VAL A 137 -4.968 -0.585 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.457 -1.070 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.853 -1.499 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.231 0.315 -8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.923 -0.192 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.553 1.318 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.169 0.214 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.468 1.208 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.083 -0.380 -4.476 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.164 1.203 -4.055 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.714 2.489 -3.598 1.00 0.00 C ATOM 2091 C ILE A 138 -3.737 3.212 -2.668 1.00 0.00 C ATOM 2092 O ILE A 138 -3.259 2.635 -1.686 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.074 2.271 -2.868 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -7.055 1.463 -3.773 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.708 3.638 -2.531 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.807 -0.049 -3.615 1.00 0.00 C ATOM 0 H ILE A 138 -3.860 0.585 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.875 3.112 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.890 1.711 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.085 1.699 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.922 1.753 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.659 3.482 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -6.036 4.201 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.877 4.197 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.499 -0.600 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.782 -0.282 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.964 -0.337 -2.575 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.492 4.498 -2.958 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.624 5.329 -2.113 1.00 0.00 C ATOM 2110 C VAL A 139 -3.474 6.418 -1.439 1.00 0.00 C ATOM 2111 O VAL A 139 -4.128 7.223 -2.125 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.494 5.966 -2.968 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.570 6.822 -2.084 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.665 4.861 -3.639 1.00 0.00 C ATOM 0 H VAL A 139 -3.881 4.983 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.158 4.711 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.950 6.600 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.216 7.261 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.150 7.616 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.121 6.196 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.126 5.312 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.222 4.223 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -1.310 4.262 -4.282 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.483 6.411 -0.095 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.288 7.362 0.682 1.00 0.00 C ATOM 2126 C ALA A 140 -3.456 8.060 1.767 1.00 0.00 C ATOM 2127 O ALA A 140 -2.578 7.453 2.381 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.485 6.637 1.320 1.00 0.00 C ATOM 0 H ALA A 140 -2.942 5.758 0.472 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.648 8.130 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.077 7.349 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.104 6.198 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.123 5.849 1.981 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.761 9.340 1.990 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.082 10.153 2.989 1.00 0.00 C ATOM 2136 C LYS A 141 -3.953 10.259 4.238 1.00 0.00 C ATOM 2137 O LYS A 141 -5.091 10.731 4.162 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.828 11.568 2.435 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.880 12.313 3.380 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.805 13.802 3.003 1.00 0.00 C ATOM 2141 CE LYS A 141 -0.989 13.980 1.721 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.876 15.434 1.404 1.00 0.00 N ATOM 0 H LYS A 141 -4.489 9.839 1.479 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.130 9.684 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.394 11.509 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.769 12.110 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.226 12.209 4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.886 11.869 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -2.810 14.200 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.349 14.368 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.003 13.545 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -1.468 13.453 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -0.322 15.557 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.826 15.835 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.401 15.925 2.189 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.417 9.814 5.379 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.165 9.845 6.639 1.00 0.00 C ATOM 2158 C ALA A 142 -4.500 11.276 7.049 1.00 0.00 C ATOM 2159 O ALA A 142 -3.651 12.169 6.970 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.364 9.163 7.747 1.00 0.00 C ATOM 0 H ALA A 142 -2.475 9.431 5.456 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.100 9.306 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.931 9.193 8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.173 8.126 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.416 9.683 7.883 1.00 0.00 H new