USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 101 HIS : no HD1:sc= -0.0446 K(o=0.21,f=-3) USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0.254 K(o=0.21,f=-5.2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00971 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0929 K(o=-0.093,f=-2.6!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 20 GLN : amide:sc= 0.839 K(o=0.84,f=-0.012) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 48 ASN : amide:sc= -0.26 K(o=-0.26,f=-4.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc=-0.00887 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 15:sc= -0.194 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.657 K(o=0.66,f=-0.25) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc=-0.00156 K(o=-0.0016,f=-2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.765 K(o=0.77,f=-0.3) USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.24) USER MOD Single : A 100 SER OG : rot 73:sc= 0.47 USER MOD Single : A 107 LYS NZ :NH3+ 144:sc= 1.24 (180deg=-0.0359) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.291 F(o=-0.81,f=-0.29) USER MOD Single : A 110 CYS SG : rot 23:sc= 0.33 USER MOD Single : A 114 MET CE :methyl -169:sc= -0.376 (180deg=-0.601) USER MOD Single : A 120 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 123 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.1) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.1) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.438 17.799 -4.340 1.00 0.00 N ATOM 110 CA TYR A 11 3.187 16.390 -4.089 1.00 0.00 C ATOM 111 C TYR A 11 2.812 16.184 -2.628 1.00 0.00 C ATOM 112 O TYR A 11 1.899 15.417 -2.331 1.00 0.00 O ATOM 113 CB TYR A 11 4.433 15.549 -4.392 1.00 0.00 C ATOM 114 CG TYR A 11 4.866 15.534 -5.838 1.00 0.00 C ATOM 115 CD1 TYR A 11 4.016 14.977 -6.808 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.134 16.022 -6.207 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.445 14.891 -8.140 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.571 15.928 -7.540 1.00 0.00 C ATOM 119 CZ TYR A 11 5.727 15.350 -8.511 1.00 0.00 C ATOM 120 OH TYR A 11 6.155 15.228 -9.793 1.00 0.00 O ATOM 0 HA TYR A 11 2.371 16.074 -4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.259 15.922 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.244 14.523 -4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.037 14.617 -6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.774 16.471 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.789 14.470 -8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.547 16.296 -7.819 1.00 0.00 H new ATOM 0 HH TYR A 11 7.060 15.596 -9.872 1.00 0.00 H new ATOM 130 N SER A 12 3.501 16.873 -1.718 1.00 0.00 N ATOM 131 CA SER A 12 3.355 16.695 -0.284 1.00 0.00 C ATOM 132 C SER A 12 1.965 17.114 0.203 1.00 0.00 C ATOM 133 O SER A 12 1.449 16.513 1.143 1.00 0.00 O ATOM 134 CB SER A 12 4.465 17.475 0.421 1.00 0.00 C ATOM 135 OG SER A 12 5.703 17.271 -0.249 1.00 0.00 O ATOM 0 H SER A 12 4.189 17.583 -1.968 1.00 0.00 H new ATOM 0 HA SER A 12 3.450 15.637 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.221 18.537 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.546 17.151 1.459 1.00 0.00 H new ATOM 0 HG SER A 12 6.409 17.775 0.207 1.00 0.00 H new ATOM 141 N GLN A 13 1.322 18.079 -0.470 1.00 0.00 N ATOM 142 CA GLN A 13 -0.062 18.432 -0.186 1.00 0.00 C ATOM 143 C GLN A 13 -0.959 17.241 -0.497 1.00 0.00 C ATOM 144 O GLN A 13 -1.613 16.730 0.405 1.00 0.00 O ATOM 145 CB GLN A 13 -0.517 19.647 -0.998 1.00 0.00 C ATOM 146 CG GLN A 13 0.095 20.975 -0.558 1.00 0.00 C ATOM 147 CD GLN A 13 -0.460 22.077 -1.454 1.00 0.00 C ATOM 148 OE1 GLN A 13 0.045 22.302 -2.548 1.00 0.00 O ATOM 149 NE2 GLN A 13 -1.510 22.752 -1.018 1.00 0.00 N ATOM 0 H GLN A 13 1.748 18.627 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.135 18.694 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.271 19.479 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.602 19.724 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.146 21.177 0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.182 20.936 -0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.908 22.541 -0.103 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.922 23.483 -1.597 1.00 0.00 H new ATOM 158 N ARG A 14 -1.002 16.809 -1.761 1.00 0.00 N ATOM 159 CA ARG A 14 -1.806 15.679 -2.234 1.00 0.00 C ATOM 160 C ARG A 14 -1.549 14.438 -1.376 1.00 0.00 C ATOM 161 O ARG A 14 -2.482 13.760 -0.958 1.00 0.00 O ATOM 162 CB ARG A 14 -1.414 15.399 -3.689 1.00 0.00 C ATOM 163 CG ARG A 14 -1.924 16.400 -4.736 1.00 0.00 C ATOM 164 CD ARG A 14 -0.973 16.366 -5.942 1.00 0.00 C ATOM 165 NE ARG A 14 -1.605 16.777 -7.207 1.00 0.00 N ATOM 166 CZ ARG A 14 -1.976 15.928 -8.173 1.00 0.00 C ATOM 167 NH1 ARG A 14 -2.355 14.684 -7.877 1.00 0.00 N ATOM 168 NH2 ARG A 14 -1.917 16.308 -9.444 1.00 0.00 N ATOM 0 H ARG A 14 -0.462 17.250 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.866 15.921 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.326 15.365 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.779 14.408 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.937 16.143 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.965 17.404 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.123 17.019 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.579 15.356 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.771 17.772 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.364 14.371 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.636 14.046 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.590 17.244 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.199 15.664 -10.183 1.00 0.00 H new ATOM 182 N GLN A 15 -0.280 14.172 -1.061 1.00 0.00 N ATOM 183 CA GLN A 15 0.135 13.054 -0.230 1.00 0.00 C ATOM 184 C GLN A 15 -0.584 13.134 1.113 1.00 0.00 C ATOM 185 O GLN A 15 -1.322 12.211 1.463 1.00 0.00 O ATOM 186 CB GLN A 15 1.668 13.003 -0.074 1.00 0.00 C ATOM 187 CG GLN A 15 2.304 12.372 -1.322 1.00 0.00 C ATOM 188 CD GLN A 15 3.820 12.552 -1.431 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.354 13.655 -1.400 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.542 11.463 -1.638 1.00 0.00 N ATOM 0 H GLN A 15 0.500 14.743 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.146 12.120 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.060 14.009 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.932 12.424 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.078 11.306 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.837 12.802 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.090 10.549 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.550 11.538 -1.773 1.00 0.00 H new ATOM 199 N ASP A 16 -0.402 14.229 1.851 1.00 0.00 N ATOM 200 CA ASP A 16 -0.996 14.382 3.175 1.00 0.00 C ATOM 201 C ASP A 16 -2.520 14.461 3.119 1.00 0.00 C ATOM 202 O ASP A 16 -3.185 14.069 4.071 1.00 0.00 O ATOM 203 CB ASP A 16 -0.430 15.628 3.863 1.00 0.00 C ATOM 204 CG ASP A 16 -0.402 15.424 5.372 1.00 0.00 C ATOM 205 OD1 ASP A 16 0.466 14.653 5.842 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.183 16.086 6.089 1.00 0.00 O ATOM 0 H ASP A 16 0.157 15.027 1.550 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.738 13.494 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.577 15.830 3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.039 16.498 3.617 1.00 0.00 H new ATOM 211 N HIS A 17 -3.082 14.908 1.991 1.00 0.00 N ATOM 212 CA HIS A 17 -4.516 14.920 1.725 1.00 0.00 C ATOM 213 C HIS A 17 -5.068 13.511 1.873 1.00 0.00 C ATOM 214 O HIS A 17 -6.048 13.281 2.581 1.00 0.00 O ATOM 215 CB HIS A 17 -4.810 15.466 0.310 1.00 0.00 C ATOM 216 CG HIS A 17 -6.063 16.302 0.240 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.219 17.480 -0.459 1.00 0.00 N ATOM 218 CD2 HIS A 17 -7.246 16.038 0.874 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.458 17.938 -0.220 1.00 0.00 C ATOM 220 NE2 HIS A 17 -8.107 17.109 0.614 1.00 0.00 N ATOM 0 H HIS A 17 -2.531 15.282 1.218 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.002 15.578 2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.963 16.065 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.901 14.629 -0.383 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.473 15.164 1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.873 18.843 -0.638 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.048 17.236 0.987 1.00 0.00 H new ATOM 228 N GLU A 18 -4.416 12.550 1.225 1.00 0.00 N ATOM 229 CA GLU A 18 -4.920 11.197 1.209 1.00 0.00 C ATOM 230 C GLU A 18 -4.679 10.509 2.544 1.00 0.00 C ATOM 231 O GLU A 18 -5.476 9.690 2.962 1.00 0.00 O ATOM 232 CB GLU A 18 -4.273 10.420 0.062 1.00 0.00 C ATOM 233 CG GLU A 18 -5.367 9.904 -0.865 1.00 0.00 C ATOM 234 CD GLU A 18 -6.150 11.039 -1.548 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.534 11.983 -2.072 1.00 0.00 O ATOM 236 OE2 GLU A 18 -7.405 10.992 -1.571 1.00 0.00 O ATOM 0 H GLU A 18 -3.546 12.689 0.711 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.998 11.224 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.585 11.063 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.688 9.588 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.920 9.266 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.058 9.283 -0.295 1.00 0.00 H new ATOM 243 N LEU A 19 -3.602 10.863 3.240 1.00 0.00 N ATOM 244 CA LEU A 19 -3.280 10.367 4.588 1.00 0.00 C ATOM 245 C LEU A 19 -4.212 10.936 5.652 1.00 0.00 C ATOM 246 O LEU A 19 -4.178 10.508 6.803 1.00 0.00 O ATOM 247 CB LEU A 19 -1.819 10.693 4.948 1.00 0.00 C ATOM 248 CG LEU A 19 -0.841 10.064 3.947 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.552 10.693 3.959 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.746 8.571 4.070 1.00 0.00 C ATOM 0 H LEU A 19 -2.908 11.518 2.880 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.419 9.286 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.680 11.774 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.600 10.328 5.951 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.282 10.290 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.183 10.193 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.475 11.752 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.992 10.583 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.038 8.190 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.405 8.309 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.726 8.128 3.894 1.00 0.00 H new ATOM 262 N GLN A 20 -5.004 11.935 5.294 1.00 0.00 N ATOM 263 CA GLN A 20 -6.147 12.389 6.060 1.00 0.00 C ATOM 264 C GLN A 20 -7.394 11.608 5.620 1.00 0.00 C ATOM 265 O GLN A 20 -8.082 11.046 6.469 1.00 0.00 O ATOM 266 CB GLN A 20 -6.278 13.909 5.896 1.00 0.00 C ATOM 267 CG GLN A 20 -5.155 14.656 6.644 1.00 0.00 C ATOM 268 CD GLN A 20 -5.108 16.145 6.301 1.00 0.00 C ATOM 269 OE1 GLN A 20 -6.133 16.812 6.189 1.00 0.00 O ATOM 270 NE2 GLN A 20 -3.936 16.737 6.110 1.00 0.00 N ATOM 0 H GLN A 20 -4.862 12.466 4.435 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.022 12.194 7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.245 14.166 4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.247 14.235 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.299 14.539 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.195 14.200 6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.073 16.200 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.898 17.729 5.875 1.00 0.00 H new ATOM 279 N ALA A 21 -7.670 11.516 4.317 1.00 0.00 N ATOM 280 CA ALA A 21 -8.832 10.799 3.791 1.00 0.00 C ATOM 281 C ALA A 21 -8.873 9.326 4.234 1.00 0.00 C ATOM 282 O ALA A 21 -9.908 8.811 4.643 1.00 0.00 O ATOM 283 CB ALA A 21 -8.827 10.901 2.263 1.00 0.00 C ATOM 0 H ALA A 21 -7.089 11.940 3.593 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.729 11.265 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.689 10.370 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.876 11.949 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.912 10.457 1.872 1.00 0.00 H new ATOM 289 N LEU A 22 -7.745 8.626 4.161 1.00 0.00 N ATOM 290 CA LEU A 22 -7.605 7.221 4.533 1.00 0.00 C ATOM 291 C LEU A 22 -7.796 7.040 6.046 1.00 0.00 C ATOM 292 O LEU A 22 -8.306 6.008 6.464 1.00 0.00 O ATOM 293 CB LEU A 22 -6.219 6.734 4.078 1.00 0.00 C ATOM 294 CG LEU A 22 -6.061 6.523 2.565 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.570 6.410 2.230 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.767 5.266 2.074 1.00 0.00 C ATOM 0 H LEU A 22 -6.872 9.036 3.829 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.374 6.625 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.472 7.457 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.998 5.794 4.584 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.517 7.378 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.448 6.260 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.060 7.326 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.140 5.564 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.624 5.165 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.351 4.394 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.832 5.338 2.293 1.00 0.00 H new ATOM 308 N GLU A 23 -7.489 8.037 6.878 1.00 0.00 N ATOM 309 CA GLU A 23 -7.695 8.012 8.323 1.00 0.00 C ATOM 310 C GLU A 23 -9.191 8.171 8.624 1.00 0.00 C ATOM 311 O GLU A 23 -9.670 7.786 9.689 1.00 0.00 O ATOM 312 CB GLU A 23 -6.888 9.164 8.954 1.00 0.00 C ATOM 313 CG GLU A 23 -6.815 9.137 10.492 1.00 0.00 C ATOM 314 CD GLU A 23 -7.045 10.525 11.111 1.00 0.00 C ATOM 315 OE1 GLU A 23 -8.053 11.197 10.771 1.00 0.00 O ATOM 316 OE2 GLU A 23 -6.209 11.003 11.909 1.00 0.00 O ATOM 0 H GLU A 23 -7.077 8.911 6.552 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.356 7.065 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.874 9.138 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.329 10.111 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.561 8.442 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.840 8.761 10.801 1.00 0.00 H new ATOM 323 N ALA A 24 -9.962 8.734 7.695 1.00 0.00 N ATOM 324 CA ALA A 24 -11.398 8.849 7.828 1.00 0.00 C ATOM 325 C ALA A 24 -12.075 7.567 7.340 1.00 0.00 C ATOM 326 O ALA A 24 -13.096 7.167 7.892 1.00 0.00 O ATOM 327 CB ALA A 24 -11.865 10.065 7.032 1.00 0.00 C ATOM 0 H ALA A 24 -9.597 9.123 6.826 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.672 8.985 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.947 10.165 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.383 10.962 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.599 9.937 5.983 1.00 0.00 H new ATOM 333 N ILE A 25 -11.516 6.926 6.309 1.00 0.00 N ATOM 334 CA ILE A 25 -12.078 5.726 5.696 1.00 0.00 C ATOM 335 C ILE A 25 -11.753 4.493 6.553 1.00 0.00 C ATOM 336 O ILE A 25 -12.639 3.676 6.812 1.00 0.00 O ATOM 337 CB ILE A 25 -11.560 5.604 4.241 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.086 6.768 3.361 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.877 4.229 3.616 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.458 6.551 2.718 1.00 0.00 C ATOM 0 H ILE A 25 -10.647 7.234 5.873 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.165 5.795 5.651 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.473 5.680 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.131 7.669 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.361 6.956 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.493 4.195 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.406 3.443 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.956 4.076 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.725 7.427 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.422 5.674 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.205 6.398 3.497 1.00 0.00 H new ATOM 352 N TYR A 26 -10.488 4.334 6.947 1.00 0.00 N ATOM 353 CA TYR A 26 -9.961 3.174 7.658 1.00 0.00 C ATOM 354 C TYR A 26 -9.765 3.505 9.130 1.00 0.00 C ATOM 355 O TYR A 26 -10.220 2.758 9.988 1.00 0.00 O ATOM 356 CB TYR A 26 -8.632 2.728 7.026 1.00 0.00 C ATOM 357 CG TYR A 26 -8.794 2.160 5.631 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.248 0.837 5.488 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.541 2.950 4.489 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.486 0.305 4.212 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.796 2.426 3.204 1.00 0.00 C ATOM 362 CZ TYR A 26 -9.279 1.098 3.063 1.00 0.00 C ATOM 363 OH TYR A 26 -9.582 0.552 1.850 1.00 0.00 O ATOM 0 H TYR A 26 -9.775 5.042 6.770 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.677 2.356 7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.952 3.579 6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.167 1.977 7.665 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.414 0.228 6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.154 3.952 4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.829 -0.714 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.624 3.034 2.328 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.394 1.203 1.142 1.00 0.00 H new ATOM 373 N GLY A 27 -9.089 4.615 9.427 1.00 0.00 N ATOM 374 CA GLY A 27 -8.797 5.016 10.793 1.00 0.00 C ATOM 375 C GLY A 27 -7.890 4.008 11.472 1.00 0.00 C ATOM 376 O GLY A 27 -6.687 4.031 11.228 1.00 0.00 O ATOM 0 H GLY A 27 -8.730 5.259 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.322 5.997 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.726 5.111 11.355 1.00 0.00 H new ATOM 380 N SER A 28 -8.440 3.135 12.315 1.00 0.00 N ATOM 381 CA SER A 28 -7.642 2.270 13.171 1.00 0.00 C ATOM 382 C SER A 28 -6.797 1.260 12.387 1.00 0.00 C ATOM 383 O SER A 28 -5.822 0.756 12.942 1.00 0.00 O ATOM 384 CB SER A 28 -8.564 1.529 14.140 1.00 0.00 C ATOM 385 OG SER A 28 -9.442 2.420 14.809 1.00 0.00 O ATOM 0 H SER A 28 -9.447 3.011 12.421 1.00 0.00 H new ATOM 0 HA SER A 28 -6.944 2.909 13.713 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.145 0.786 13.594 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.964 0.989 14.873 1.00 0.00 H new ATOM 0 HG SER A 28 -10.019 1.914 15.419 1.00 0.00 H new ATOM 391 N ASP A 29 -7.159 0.923 11.144 1.00 0.00 N ATOM 392 CA ASP A 29 -6.379 -0.012 10.323 1.00 0.00 C ATOM 393 C ASP A 29 -5.202 0.697 9.637 1.00 0.00 C ATOM 394 O ASP A 29 -4.287 0.028 9.160 1.00 0.00 O ATOM 395 CB ASP A 29 -7.246 -0.711 9.257 1.00 0.00 C ATOM 396 CG ASP A 29 -8.300 -1.671 9.812 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.313 -1.204 10.382 1.00 0.00 O ATOM 398 OD2 ASP A 29 -8.148 -2.904 9.633 1.00 0.00 O ATOM 0 H ASP A 29 -7.993 1.286 10.682 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.994 -0.771 11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.748 0.051 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.592 -1.263 8.583 1.00 0.00 H new ATOM 403 N PHE A 30 -5.221 2.032 9.549 1.00 0.00 N ATOM 404 CA PHE A 30 -4.129 2.881 9.070 1.00 0.00 C ATOM 405 C PHE A 30 -3.221 3.190 10.256 1.00 0.00 C ATOM 406 O PHE A 30 -3.682 3.462 11.366 1.00 0.00 O ATOM 407 CB PHE A 30 -4.720 4.186 8.506 1.00 0.00 C ATOM 408 CG PHE A 30 -3.695 5.213 8.057 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.013 5.029 6.843 1.00 0.00 C ATOM 410 CD2 PHE A 30 -3.452 6.376 8.816 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.125 6.005 6.368 1.00 0.00 C ATOM 412 CE2 PHE A 30 -2.537 7.342 8.351 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.906 7.185 7.099 1.00 0.00 C ATOM 0 H PHE A 30 -6.040 2.574 9.824 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.561 2.381 8.285 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.361 3.941 7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.356 4.638 9.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.174 4.128 6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.967 6.527 9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.606 5.849 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.317 8.208 8.957 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.264 7.960 6.708 1.00 0.00 H new ATOM 423 N GLN A 31 -1.919 3.230 9.999 1.00 0.00 N ATOM 424 CA GLN A 31 -0.926 3.738 10.899 1.00 0.00 C ATOM 425 C GLN A 31 0.079 4.497 10.045 1.00 0.00 C ATOM 426 O GLN A 31 0.628 3.957 9.084 1.00 0.00 O ATOM 427 CB GLN A 31 -0.303 2.567 11.666 1.00 0.00 C ATOM 428 CG GLN A 31 0.815 3.086 12.558 1.00 0.00 C ATOM 429 CD GLN A 31 1.161 2.167 13.719 1.00 0.00 C ATOM 430 OE1 GLN A 31 0.873 0.972 13.722 1.00 0.00 O ATOM 431 NE2 GLN A 31 1.807 2.704 14.734 1.00 0.00 N ATOM 0 H GLN A 31 -1.525 2.893 9.121 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.334 4.414 11.650 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.062 2.067 12.268 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.088 1.827 10.968 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.708 3.239 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.527 4.060 12.953 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.041 3.697 14.722 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.073 2.127 15.532 1.00 0.00 H new ATOM 440 N ASP A 32 0.314 5.753 10.398 1.00 0.00 N ATOM 441 CA ASP A 32 1.456 6.511 9.930 1.00 0.00 C ATOM 442 C ASP A 32 2.721 5.905 10.543 1.00 0.00 C ATOM 443 O ASP A 32 2.713 5.451 11.692 1.00 0.00 O ATOM 444 CB ASP A 32 1.302 7.979 10.349 1.00 0.00 C ATOM 445 CG ASP A 32 1.950 8.268 11.703 1.00 0.00 C ATOM 446 OD1 ASP A 32 1.245 8.115 12.725 1.00 0.00 O ATOM 447 OD2 ASP A 32 3.168 8.560 11.715 1.00 0.00 O ATOM 0 H ASP A 32 -0.294 6.278 11.027 1.00 0.00 H new ATOM 0 HA ASP A 32 1.524 6.470 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.751 8.620 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.243 8.232 10.394 1.00 0.00 H new ATOM 452 N LEU A 33 3.828 5.940 9.808 1.00 0.00 N ATOM 453 CA LEU A 33 5.141 5.506 10.277 1.00 0.00 C ATOM 454 C LEU A 33 6.153 6.637 10.043 1.00 0.00 C ATOM 455 O LEU A 33 7.331 6.362 9.793 1.00 0.00 O ATOM 456 CB LEU A 33 5.538 4.181 9.590 1.00 0.00 C ATOM 457 CG LEU A 33 4.552 3.009 9.789 1.00 0.00 C ATOM 458 CD1 LEU A 33 5.009 1.809 8.952 1.00 0.00 C ATOM 459 CD2 LEU A 33 4.431 2.544 11.245 1.00 0.00 C ATOM 0 H LEU A 33 3.838 6.279 8.846 1.00 0.00 H new ATOM 0 HA LEU A 33 5.121 5.301 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.647 4.364 8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.516 3.877 9.962 1.00 0.00 H new ATOM 0 HG LEU A 33 3.576 3.381 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.313 0.982 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.033 2.088 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.006 1.503 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.721 1.719 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.405 2.212 11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.080 3.371 11.863 1.00 0.00 H new ATOM 641 N PRO A 44 9.832 10.568 2.729 1.00 0.00 N ATOM 642 CA PRO A 44 8.740 9.725 2.253 1.00 0.00 C ATOM 643 C PRO A 44 7.705 9.489 3.373 1.00 0.00 C ATOM 644 O PRO A 44 8.119 9.162 4.489 1.00 0.00 O ATOM 645 CB PRO A 44 9.423 8.439 1.772 1.00 0.00 C ATOM 646 CG PRO A 44 10.748 8.383 2.512 1.00 0.00 C ATOM 647 CD PRO A 44 11.083 9.835 2.804 1.00 0.00 C ATOM 0 HA PRO A 44 8.167 10.178 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.812 7.564 1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.576 8.456 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.665 7.802 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.521 7.912 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.535 9.938 3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.803 10.220 2.082 1.00 0.00 H new ATOM 655 N PRO A 45 6.393 9.730 3.152 1.00 0.00 N ATOM 656 CA PRO A 45 5.339 9.402 4.109 1.00 0.00 C ATOM 657 C PRO A 45 5.112 7.886 4.116 1.00 0.00 C ATOM 658 O PRO A 45 4.281 7.377 3.361 1.00 0.00 O ATOM 659 CB PRO A 45 4.091 10.174 3.663 1.00 0.00 C ATOM 660 CG PRO A 45 4.296 10.400 2.169 1.00 0.00 C ATOM 661 CD PRO A 45 5.810 10.306 1.947 1.00 0.00 C ATOM 0 HA PRO A 45 5.599 9.685 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.182 9.605 3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.996 11.119 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.766 9.650 1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.914 11.374 1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.033 9.686 1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.231 11.292 1.751 1.00 0.00 H new ATOM 669 N GLU A 46 5.859 7.175 4.960 1.00 0.00 N ATOM 670 CA GLU A 46 5.673 5.745 5.150 1.00 0.00 C ATOM 671 C GLU A 46 4.393 5.499 5.963 1.00 0.00 C ATOM 672 O GLU A 46 4.126 6.195 6.948 1.00 0.00 O ATOM 673 CB GLU A 46 6.911 5.103 5.815 1.00 0.00 C ATOM 674 CG GLU A 46 6.799 3.579 5.654 1.00 0.00 C ATOM 675 CD GLU A 46 7.831 2.689 6.345 1.00 0.00 C ATOM 676 OE1 GLU A 46 8.796 3.159 6.994 1.00 0.00 O ATOM 677 OE2 GLU A 46 7.651 1.450 6.244 1.00 0.00 O ATOM 0 H GLU A 46 6.606 7.576 5.527 1.00 0.00 H new ATOM 0 HA GLU A 46 5.560 5.267 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.826 5.469 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.960 5.372 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.813 3.281 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.832 3.356 4.588 1.00 0.00 H new ATOM 684 N ILE A 47 3.619 4.484 5.571 1.00 0.00 N ATOM 685 CA ILE A 47 2.377 4.054 6.219 1.00 0.00 C ATOM 686 C ILE A 47 2.375 2.542 6.403 1.00 0.00 C ATOM 687 O ILE A 47 3.210 1.838 5.824 1.00 0.00 O ATOM 688 CB ILE A 47 1.146 4.481 5.395 1.00 0.00 C ATOM 689 CG1 ILE A 47 1.110 3.814 3.996 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.146 6.003 5.228 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.045 2.825 3.853 1.00 0.00 C ATOM 0 H ILE A 47 3.851 3.914 4.757 1.00 0.00 H new ATOM 0 HA ILE A 47 2.323 4.536 7.195 1.00 0.00 H new ATOM 0 HB ILE A 47 0.261 4.153 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.021 4.585 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.053 3.296 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.276 6.305 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.108 6.477 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.054 6.312 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.026 2.385 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.056 2.037 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.991 3.346 4.002 1.00 0.00 H new ATOM 703 N ASN A 48 1.387 2.057 7.144 1.00 0.00 N ATOM 704 CA ASN A 48 0.917 0.689 7.219 1.00 0.00 C ATOM 705 C ASN A 48 -0.614 0.732 7.111 1.00 0.00 C ATOM 706 O ASN A 48 -1.231 1.647 7.663 1.00 0.00 O ATOM 707 CB ASN A 48 1.360 0.107 8.564 1.00 0.00 C ATOM 708 CG ASN A 48 0.632 -1.192 8.827 1.00 0.00 C ATOM 709 OD1 ASN A 48 0.861 -2.156 8.116 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.276 -1.227 9.789 1.00 0.00 N ATOM 0 H ASN A 48 0.851 2.668 7.760 1.00 0.00 H new ATOM 0 HA ASN A 48 1.321 0.065 6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.437 -0.064 8.559 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.153 0.818 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.811 -2.080 9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.441 -0.401 10.365 1.00 0.00 H new ATOM 717 N LEU A 49 -1.225 -0.225 6.406 1.00 0.00 N ATOM 718 CA LEU A 49 -2.662 -0.437 6.319 1.00 0.00 C ATOM 719 C LEU A 49 -2.939 -1.926 6.456 1.00 0.00 C ATOM 720 O LEU A 49 -2.489 -2.701 5.614 1.00 0.00 O ATOM 721 CB LEU A 49 -3.208 0.082 4.976 1.00 0.00 C ATOM 722 CG LEU A 49 -3.914 1.429 5.135 1.00 0.00 C ATOM 723 CD1 LEU A 49 -4.102 2.114 3.779 1.00 0.00 C ATOM 724 CD2 LEU A 49 -5.270 1.225 5.808 1.00 0.00 C ATOM 0 H LEU A 49 -0.699 -0.904 5.855 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.161 0.112 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.388 0.182 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.904 -0.647 4.560 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.292 2.072 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.606 3.070 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.129 2.282 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.705 1.478 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.769 2.187 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.885 0.566 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.125 0.776 6.791 1.00 0.00 H new ATOM 736 N VAL A 50 -3.650 -2.338 7.502 1.00 0.00 N ATOM 737 CA VAL A 50 -4.090 -3.725 7.663 1.00 0.00 C ATOM 738 C VAL A 50 -5.273 -3.973 6.714 1.00 0.00 C ATOM 739 O VAL A 50 -6.151 -3.114 6.599 1.00 0.00 O ATOM 740 CB VAL A 50 -4.493 -3.977 9.129 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.637 -5.487 9.388 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.453 -3.455 10.134 1.00 0.00 C ATOM 0 H VAL A 50 -3.938 -1.722 8.262 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.282 -4.413 7.416 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.433 -3.444 9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.922 -5.652 10.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.404 -5.897 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.687 -5.983 9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.792 -3.661 11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.499 -3.953 9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.329 -2.380 10.004 1.00 0.00 H new ATOM 752 N LEU A 51 -5.320 -5.123 6.026 1.00 0.00 N ATOM 753 CA LEU A 51 -6.369 -5.463 5.062 1.00 0.00 C ATOM 754 C LEU A 51 -6.753 -6.946 5.159 1.00 0.00 C ATOM 755 O LEU A 51 -5.889 -7.805 5.375 1.00 0.00 O ATOM 756 CB LEU A 51 -5.895 -5.131 3.636 1.00 0.00 C ATOM 757 CG LEU A 51 -5.604 -3.636 3.388 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.878 -3.478 2.058 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.874 -2.779 3.352 1.00 0.00 C ATOM 0 H LEU A 51 -4.616 -5.854 6.128 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.253 -4.871 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.992 -5.703 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.655 -5.462 2.928 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.992 -3.290 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.671 -2.423 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.940 -4.032 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.503 -3.866 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.605 -1.738 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.525 -3.127 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.396 -2.862 4.305 1.00 0.00 H new ATOM 771 N TYR A 52 -8.040 -7.246 4.951 1.00 0.00 N ATOM 772 CA TYR A 52 -8.656 -8.565 5.130 1.00 0.00 C ATOM 773 C TYR A 52 -9.581 -8.886 3.938 1.00 0.00 C ATOM 774 O TYR A 52 -9.874 -7.997 3.136 1.00 0.00 O ATOM 775 CB TYR A 52 -9.470 -8.617 6.433 1.00 0.00 C ATOM 776 CG TYR A 52 -8.787 -8.250 7.733 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.385 -6.934 8.037 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.667 -9.246 8.709 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.829 -6.641 9.297 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.049 -8.986 9.933 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.647 -7.672 10.247 1.00 0.00 C ATOM 782 OH TYR A 52 -7.176 -7.399 11.491 1.00 0.00 O ATOM 0 H TYR A 52 -8.711 -6.544 4.639 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.858 -9.305 5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.328 -7.956 6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.860 -9.629 6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.503 -6.150 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.059 -10.233 8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.541 -5.628 9.538 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.880 -9.788 10.636 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.117 -8.229 12.008 1.00 0.00 H new ATOM 792 N PRO A 53 -10.035 -10.143 3.761 1.00 0.00 N ATOM 793 CA PRO A 53 -11.065 -10.467 2.782 1.00 0.00 C ATOM 794 C PRO A 53 -12.468 -10.025 3.227 1.00 0.00 C ATOM 795 O PRO A 53 -12.798 -9.970 4.414 1.00 0.00 O ATOM 796 CB PRO A 53 -10.964 -11.980 2.579 1.00 0.00 C ATOM 797 CG PRO A 53 -10.308 -12.521 3.823 1.00 0.00 C ATOM 798 CD PRO A 53 -9.479 -11.354 4.346 1.00 0.00 C ATOM 0 HA PRO A 53 -10.907 -9.927 1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.950 -12.421 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.375 -12.217 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.048 -12.844 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.683 -13.385 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.518 -11.310 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.431 -11.470 4.069 1.00 0.00 H new ATOM 896 N VAL A 61 -11.067 -14.495 9.604 1.00 0.00 N ATOM 897 CA VAL A 61 -10.367 -14.604 8.323 1.00 0.00 C ATOM 898 C VAL A 61 -9.278 -15.684 8.370 1.00 0.00 C ATOM 899 O VAL A 61 -9.289 -16.548 9.247 1.00 0.00 O ATOM 900 CB VAL A 61 -9.988 -13.198 7.774 1.00 0.00 C ATOM 901 CG1 VAL A 61 -11.056 -12.154 8.115 1.00 0.00 C ATOM 902 CG2 VAL A 61 -8.632 -12.605 8.131 1.00 0.00 C ATOM 0 HA VAL A 61 -11.032 -14.988 7.549 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.922 -13.418 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.758 -11.185 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.008 -12.450 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.163 -12.083 9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.531 -11.624 7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.552 -12.505 9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.841 -13.261 7.768 1.00 0.00 H new ATOM 912 N TYR A 62 -8.468 -15.756 7.317 1.00 0.00 N ATOM 913 CA TYR A 62 -7.519 -16.833 7.073 1.00 0.00 C ATOM 914 C TYR A 62 -6.324 -16.183 6.392 1.00 0.00 C ATOM 915 O TYR A 62 -5.220 -16.090 6.925 1.00 0.00 O ATOM 916 CB TYR A 62 -8.163 -17.910 6.177 1.00 0.00 C ATOM 917 CG TYR A 62 -9.324 -18.672 6.791 1.00 0.00 C ATOM 918 CD1 TYR A 62 -10.625 -18.125 6.802 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.101 -19.943 7.353 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.698 -18.861 7.332 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.172 -20.676 7.894 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.480 -20.148 7.869 1.00 0.00 C ATOM 923 OH TYR A 62 -12.522 -20.879 8.356 1.00 0.00 O ATOM 0 H TYR A 62 -8.455 -15.042 6.588 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.216 -17.333 7.993 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.510 -17.433 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.393 -18.627 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.796 -17.137 6.401 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.104 -20.357 7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.693 -18.441 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -9.993 -21.647 8.331 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.191 -21.741 8.685 1.00 0.00 H new ATOM 933 N VAL A 63 -6.565 -15.616 5.213 1.00 0.00 N ATOM 934 CA VAL A 63 -5.659 -14.660 4.625 1.00 0.00 C ATOM 935 C VAL A 63 -6.021 -13.300 5.220 1.00 0.00 C ATOM 936 O VAL A 63 -7.192 -12.979 5.388 1.00 0.00 O ATOM 937 CB VAL A 63 -5.759 -14.716 3.093 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.283 -16.072 2.560 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.182 -14.457 2.592 1.00 0.00 C ATOM 0 H VAL A 63 -7.392 -15.811 4.649 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.614 -14.874 4.850 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.112 -13.923 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.364 -16.085 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.244 -16.232 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.902 -16.865 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.199 -14.507 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.855 -15.211 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.507 -13.468 2.914 1.00 0.00 H new ATOM 949 N GLN A 64 -5.002 -12.516 5.521 1.00 0.00 N ATOM 950 CA GLN A 64 -4.990 -11.076 5.783 1.00 0.00 C ATOM 951 C GLN A 64 -3.553 -10.643 5.484 1.00 0.00 C ATOM 952 O GLN A 64 -2.651 -11.493 5.525 1.00 0.00 O ATOM 953 CB GLN A 64 -5.426 -10.734 7.228 1.00 0.00 C ATOM 954 CG GLN A 64 -4.581 -11.406 8.316 1.00 0.00 C ATOM 955 CD GLN A 64 -4.987 -10.970 9.720 1.00 0.00 C ATOM 956 OE1 GLN A 64 -5.818 -11.602 10.357 1.00 0.00 O ATOM 957 NE2 GLN A 64 -4.392 -9.911 10.244 1.00 0.00 N ATOM 0 H GLN A 64 -4.063 -12.906 5.597 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.710 -10.543 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.379 -9.653 7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.468 -11.027 7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.679 -12.488 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.530 -11.168 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.701 -9.394 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.624 -9.612 11.191 1.00 0.00 H new ATOM 966 N VAL A 65 -3.320 -9.375 5.150 1.00 0.00 N ATOM 967 CA VAL A 65 -1.972 -8.842 4.983 1.00 0.00 C ATOM 968 C VAL A 65 -1.960 -7.369 5.380 1.00 0.00 C ATOM 969 O VAL A 65 -3.005 -6.720 5.409 1.00 0.00 O ATOM 970 CB VAL A 65 -1.467 -9.121 3.549 1.00 0.00 C ATOM 971 CG1 VAL A 65 -2.100 -8.227 2.479 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.052 -9.001 3.431 1.00 0.00 C ATOM 0 H VAL A 65 -4.059 -8.691 4.988 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.267 -9.344 5.645 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.777 -10.150 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.693 -8.486 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.180 -8.375 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.878 -7.183 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.355 -9.207 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.360 -7.992 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.527 -9.719 4.100 1.00 0.00 H new ATOM 982 N GLU A 66 -0.781 -6.823 5.651 1.00 0.00 N ATOM 983 CA GLU A 66 -0.573 -5.391 5.775 1.00 0.00 C ATOM 984 C GLU A 66 0.046 -4.856 4.482 1.00 0.00 C ATOM 985 O GLU A 66 1.011 -5.450 3.976 1.00 0.00 O ATOM 986 CB GLU A 66 0.345 -5.146 6.974 1.00 0.00 C ATOM 987 CG GLU A 66 -0.451 -5.131 8.285 1.00 0.00 C ATOM 988 CD GLU A 66 0.396 -5.533 9.493 1.00 0.00 C ATOM 989 OE1 GLU A 66 1.537 -5.038 9.669 1.00 0.00 O ATOM 990 OE2 GLU A 66 -0.033 -6.432 10.248 1.00 0.00 O ATOM 0 H GLU A 66 0.067 -7.372 5.792 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.517 -4.869 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.108 -5.924 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.865 -4.196 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.858 -4.133 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.299 -5.810 8.198 1.00 0.00 H new ATOM 997 N LEU A 67 -0.431 -3.712 4.000 1.00 0.00 N ATOM 998 CA LEU A 67 0.089 -2.948 2.876 1.00 0.00 C ATOM 999 C LEU A 67 1.071 -1.958 3.492 1.00 0.00 C ATOM 1000 O LEU A 67 0.689 -1.115 4.308 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.068 -2.224 2.134 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.625 -1.043 1.222 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -0.896 -1.196 -0.280 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.302 0.266 1.619 1.00 0.00 C ATOM 0 H LEU A 67 -1.248 -3.265 4.416 1.00 0.00 H new ATOM 0 HA LEU A 67 0.577 -3.577 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.602 -2.953 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.775 -1.847 2.873 1.00 0.00 H new ATOM 0 HG LEU A 67 0.453 -1.042 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.542 -0.309 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.372 -2.074 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.967 -1.314 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.966 1.065 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.383 0.157 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.041 0.513 2.648 1.00 0.00 H new ATOM 1016 N ARG A 68 2.335 -2.070 3.105 1.00 0.00 N ATOM 1017 CA ARG A 68 3.374 -1.077 3.317 1.00 0.00 C ATOM 1018 C ARG A 68 3.522 -0.288 2.029 1.00 0.00 C ATOM 1019 O ARG A 68 3.582 -0.886 0.951 1.00 0.00 O ATOM 1020 CB ARG A 68 4.709 -1.779 3.650 1.00 0.00 C ATOM 1021 CG ARG A 68 5.114 -1.937 5.125 1.00 0.00 C ATOM 1022 CD ARG A 68 4.138 -1.488 6.221 1.00 0.00 C ATOM 1023 NE ARG A 68 4.845 -1.469 7.504 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.137 -2.523 8.267 1.00 0.00 C ATOM 1025 NH1 ARG A 68 4.579 -3.712 8.055 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.041 -2.344 9.217 1.00 0.00 N ATOM 0 H ARG A 68 2.677 -2.895 2.612 1.00 0.00 H new ATOM 0 HA ARG A 68 3.112 -0.419 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.678 -2.775 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.505 -1.231 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.335 -2.991 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.045 -1.389 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.744 -0.498 5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.287 -2.167 6.269 1.00 0.00 H new ATOM 0 HE ARG A 68 5.144 -0.557 7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.911 -3.833 7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.820 -4.502 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.479 -1.431 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.299 -3.119 9.828 1.00 0.00 H new ATOM 1040 N VAL A 69 3.609 1.030 2.135 1.00 0.00 N ATOM 1041 CA VAL A 69 3.957 1.940 1.058 1.00 0.00 C ATOM 1042 C VAL A 69 4.834 3.013 1.702 1.00 0.00 C ATOM 1043 O VAL A 69 4.454 3.602 2.715 1.00 0.00 O ATOM 1044 CB VAL A 69 2.697 2.530 0.381 1.00 0.00 C ATOM 1045 CG1 VAL A 69 3.091 3.620 -0.621 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.885 1.479 -0.387 1.00 0.00 C ATOM 0 H VAL A 69 3.430 1.514 3.015 1.00 0.00 H new ATOM 0 HA VAL A 69 4.490 1.433 0.253 1.00 0.00 H new ATOM 0 HB VAL A 69 2.085 2.930 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.194 4.025 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.621 4.418 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.739 3.193 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.014 1.952 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.506 1.039 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.558 0.699 0.300 1.00 0.00 H new ATOM 1056 N LYS A 70 6.010 3.266 1.119 1.00 0.00 N ATOM 1057 CA LYS A 70 6.882 4.372 1.525 1.00 0.00 C ATOM 1058 C LYS A 70 6.428 5.725 0.972 1.00 0.00 C ATOM 1059 O LYS A 70 6.666 6.732 1.621 1.00 0.00 O ATOM 1060 CB LYS A 70 8.350 4.096 1.150 1.00 0.00 C ATOM 1061 CG LYS A 70 8.544 3.598 -0.293 1.00 0.00 C ATOM 1062 CD LYS A 70 9.999 3.662 -0.775 1.00 0.00 C ATOM 1063 CE LYS A 70 10.409 5.114 -1.047 1.00 0.00 C ATOM 1064 NZ LYS A 70 11.706 5.205 -1.743 1.00 0.00 N ATOM 0 H LYS A 70 6.384 2.709 0.351 1.00 0.00 H new ATOM 0 HA LYS A 70 6.806 4.433 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.928 5.010 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.757 3.354 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.192 2.569 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.922 4.194 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.657 3.226 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.115 3.069 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.641 5.600 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.466 5.657 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.943 6.204 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.445 4.765 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.646 4.710 -2.656 1.00 0.00 H new ATOM 1078 N CYS A 71 5.786 5.755 -0.202 1.00 0.00 N ATOM 1079 CA CYS A 71 5.505 6.940 -1.014 1.00 0.00 C ATOM 1080 C CYS A 71 6.783 7.733 -1.372 1.00 0.00 C ATOM 1081 O CYS A 71 7.313 8.457 -0.533 1.00 0.00 O ATOM 1082 CB CYS A 71 4.482 7.851 -0.328 1.00 0.00 C ATOM 1083 SG CYS A 71 2.794 7.219 -0.478 1.00 0.00 S ATOM 0 H CYS A 71 5.429 4.902 -0.634 1.00 0.00 H new ATOM 0 HA CYS A 71 5.079 6.578 -1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.738 7.952 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.535 8.848 -0.766 1.00 0.00 H new ATOM 0 HG CYS A 71 1.973 8.028 0.122 1.00 0.00 H new ATOM 1089 N PRO A 72 7.286 7.670 -2.619 1.00 0.00 N ATOM 1090 CA PRO A 72 8.391 8.522 -3.047 1.00 0.00 C ATOM 1091 C PRO A 72 7.980 10.003 -3.002 1.00 0.00 C ATOM 1092 O PRO A 72 6.785 10.315 -3.018 1.00 0.00 O ATOM 1093 CB PRO A 72 8.765 8.067 -4.463 1.00 0.00 C ATOM 1094 CG PRO A 72 7.514 7.353 -4.974 1.00 0.00 C ATOM 1095 CD PRO A 72 6.791 6.868 -3.717 1.00 0.00 C ATOM 0 HA PRO A 72 9.252 8.431 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.026 8.914 -5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.627 7.400 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.885 8.027 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.774 6.519 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.712 6.980 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.986 5.810 -3.542 1.00 0.00 H new ATOM 1103 N PRO A 73 8.939 10.943 -3.012 1.00 0.00 N ATOM 1104 CA PRO A 73 8.656 12.375 -2.889 1.00 0.00 C ATOM 1105 C PRO A 73 8.023 12.983 -4.155 1.00 0.00 C ATOM 1106 O PRO A 73 7.836 14.198 -4.234 1.00 0.00 O ATOM 1107 CB PRO A 73 10.013 13.001 -2.549 1.00 0.00 C ATOM 1108 CG PRO A 73 11.016 12.090 -3.253 1.00 0.00 C ATOM 1109 CD PRO A 73 10.373 10.710 -3.131 1.00 0.00 C ATOM 0 HA PRO A 73 7.907 12.571 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.082 14.027 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.183 13.029 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.160 12.377 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.995 12.123 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.597 10.097 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.755 10.177 -2.260 1.00 0.00 H new ATOM 1117 N THR A 74 7.702 12.148 -5.138 1.00 0.00 N ATOM 1118 CA THR A 74 7.159 12.467 -6.448 1.00 0.00 C ATOM 1119 C THR A 74 5.883 11.664 -6.726 1.00 0.00 C ATOM 1120 O THR A 74 5.274 11.805 -7.783 1.00 0.00 O ATOM 1121 CB THR A 74 8.237 12.129 -7.484 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.722 10.828 -7.183 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.447 13.056 -7.385 1.00 0.00 C ATOM 0 H THR A 74 7.828 11.142 -5.025 1.00 0.00 H new ATOM 0 HA THR A 74 6.891 13.522 -6.496 1.00 0.00 H new ATOM 0 HB THR A 74 7.790 12.221 -8.474 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.414 10.579 -7.830 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.182 12.776 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.131 14.086 -7.551 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.892 12.968 -6.394 1.00 0.00 H new ATOM 1131 N TYR A 75 5.462 10.783 -5.812 1.00 0.00 N ATOM 1132 CA TYR A 75 4.190 10.088 -5.949 1.00 0.00 C ATOM 1133 C TYR A 75 3.077 11.141 -6.047 1.00 0.00 C ATOM 1134 O TYR A 75 3.142 12.124 -5.300 1.00 0.00 O ATOM 1135 CB TYR A 75 4.022 9.148 -4.743 1.00 0.00 C ATOM 1136 CG TYR A 75 2.612 8.681 -4.440 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.684 9.542 -3.820 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.232 7.371 -4.772 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.360 9.118 -3.602 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.928 6.921 -4.511 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.030 7.809 -3.970 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.325 7.412 -3.842 1.00 0.00 O ATOM 0 H TYR A 75 5.987 10.539 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 75 4.146 9.477 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.645 8.269 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.411 9.654 -3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.990 10.531 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.947 6.705 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.357 9.791 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.657 5.897 -4.723 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.897 8.197 -3.713 1.00 0.00 H new ATOM 1152 N PRO A 76 2.032 10.946 -6.875 1.00 0.00 N ATOM 1153 CA PRO A 76 1.778 9.798 -7.754 1.00 0.00 C ATOM 1154 C PRO A 76 2.351 9.934 -9.179 1.00 0.00 C ATOM 1155 O PRO A 76 2.065 9.077 -10.019 1.00 0.00 O ATOM 1156 CB PRO A 76 0.251 9.720 -7.813 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.149 11.193 -7.799 1.00 0.00 C ATOM 1158 CD PRO A 76 0.837 11.774 -6.799 1.00 0.00 C ATOM 0 HA PRO A 76 2.270 8.909 -7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.096 9.213 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.162 9.178 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.052 11.652 -8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.183 11.333 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.067 12.812 -7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.421 11.764 -5.792 1.00 0.00 H new ATOM 1166 N ASP A 77 3.139 10.976 -9.490 1.00 0.00 N ATOM 1167 CA ASP A 77 3.762 11.152 -10.819 1.00 0.00 C ATOM 1168 C ASP A 77 4.661 9.969 -11.176 1.00 0.00 C ATOM 1169 O ASP A 77 4.876 9.663 -12.349 1.00 0.00 O ATOM 1170 CB ASP A 77 4.611 12.429 -10.871 1.00 0.00 C ATOM 1171 CG ASP A 77 5.132 12.714 -12.277 1.00 0.00 C ATOM 1172 OD1 ASP A 77 4.345 13.235 -13.102 1.00 0.00 O ATOM 1173 OD2 ASP A 77 6.324 12.452 -12.556 1.00 0.00 O ATOM 0 H ASP A 77 3.364 11.721 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 77 2.944 11.221 -11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.015 13.274 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.453 12.333 -10.185 1.00 0.00 H new ATOM 1178 N VAL A 78 5.155 9.275 -10.153 1.00 0.00 N ATOM 1179 CA VAL A 78 5.825 7.999 -10.276 1.00 0.00 C ATOM 1180 C VAL A 78 5.054 6.997 -9.424 1.00 0.00 C ATOM 1181 O VAL A 78 4.513 7.344 -8.365 1.00 0.00 O ATOM 1182 CB VAL A 78 7.311 8.128 -9.881 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.959 9.356 -10.538 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.527 8.208 -8.365 1.00 0.00 C ATOM 0 H VAL A 78 5.094 9.602 -9.189 1.00 0.00 H new ATOM 0 HA VAL A 78 5.832 7.645 -11.307 1.00 0.00 H new ATOM 0 HB VAL A 78 7.786 7.216 -10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.006 9.418 -10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.896 9.264 -11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.436 10.258 -10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.593 8.297 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.004 9.078 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.138 7.305 -7.894 1.00 0.00 H new ATOM 1194 N VAL A 79 5.032 5.743 -9.861 1.00 0.00 N ATOM 1195 CA VAL A 79 4.488 4.665 -9.059 1.00 0.00 C ATOM 1196 C VAL A 79 5.285 4.503 -7.755 1.00 0.00 C ATOM 1197 O VAL A 79 6.520 4.620 -7.754 1.00 0.00 O ATOM 1198 CB VAL A 79 4.415 3.365 -9.871 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.320 3.495 -10.926 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.723 2.964 -10.562 1.00 0.00 C ATOM 0 H VAL A 79 5.388 5.452 -10.772 1.00 0.00 H new ATOM 0 HA VAL A 79 3.466 4.917 -8.776 1.00 0.00 H new ATOM 0 HB VAL A 79 4.199 2.576 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.263 2.574 -11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.363 3.675 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.551 4.328 -11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.574 2.034 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.024 3.750 -11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.502 2.822 -9.813 1.00 0.00 H new ATOM 1210 N PRO A 80 4.601 4.235 -6.629 1.00 0.00 N ATOM 1211 CA PRO A 80 5.256 3.950 -5.365 1.00 0.00 C ATOM 1212 C PRO A 80 5.883 2.551 -5.366 1.00 0.00 C ATOM 1213 O PRO A 80 5.616 1.720 -6.238 1.00 0.00 O ATOM 1214 CB PRO A 80 4.154 4.088 -4.309 1.00 0.00 C ATOM 1215 CG PRO A 80 2.866 3.742 -5.055 1.00 0.00 C ATOM 1216 CD PRO A 80 3.152 4.154 -6.496 1.00 0.00 C ATOM 0 HA PRO A 80 6.084 4.631 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.321 3.412 -3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.118 5.099 -3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.636 2.679 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.011 4.282 -4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.739 3.427 -7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.688 5.114 -6.723 1.00 0.00 H new ATOM 1224 N GLU A 81 6.697 2.272 -4.344 1.00 0.00 N ATOM 1225 CA GLU A 81 6.970 0.898 -3.948 1.00 0.00 C ATOM 1226 C GLU A 81 5.788 0.366 -3.144 1.00 0.00 C ATOM 1227 O GLU A 81 5.033 1.122 -2.527 1.00 0.00 O ATOM 1228 CB GLU A 81 8.217 0.792 -3.064 1.00 0.00 C ATOM 1229 CG GLU A 81 9.535 0.735 -3.835 1.00 0.00 C ATOM 1230 CD GLU A 81 10.625 0.048 -3.008 1.00 0.00 C ATOM 1231 OE1 GLU A 81 10.646 0.218 -1.772 1.00 0.00 O ATOM 1232 OE2 GLU A 81 11.446 -0.678 -3.622 1.00 0.00 O ATOM 0 H GLU A 81 7.173 2.978 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 81 7.133 0.322 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.242 1.647 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.134 -0.101 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.390 0.196 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.853 1.745 -4.095 1.00 0.00 H new ATOM 1239 N ILE A 82 5.715 -0.959 -3.091 1.00 0.00 N ATOM 1240 CA ILE A 82 4.732 -1.763 -2.396 1.00 0.00 C ATOM 1241 C ILE A 82 5.572 -2.786 -1.632 1.00 0.00 C ATOM 1242 O ILE A 82 6.478 -3.402 -2.209 1.00 0.00 O ATOM 1243 CB ILE A 82 3.823 -2.406 -3.472 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.880 -1.354 -4.110 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.994 -3.613 -2.994 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.679 -1.596 -5.609 1.00 0.00 C ATOM 0 H ILE A 82 6.400 -1.540 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 82 4.079 -1.224 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 82 4.522 -2.794 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.914 -1.380 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.293 -0.357 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.392 -3.991 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.664 -4.399 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.339 -3.305 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.011 -0.835 -6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.641 -1.543 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.241 -2.582 -5.763 1.00 0.00 H new ATOM 1258 N ASP A 83 5.263 -3.000 -0.355 1.00 0.00 N ATOM 1259 CA ASP A 83 5.664 -4.213 0.346 1.00 0.00 C ATOM 1260 C ASP A 83 4.449 -4.808 1.026 1.00 0.00 C ATOM 1261 O ASP A 83 3.548 -4.086 1.453 1.00 0.00 O ATOM 1262 CB ASP A 83 6.816 -3.996 1.341 1.00 0.00 C ATOM 1263 CG ASP A 83 8.135 -4.338 0.667 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.317 -5.533 0.334 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.962 -3.429 0.424 1.00 0.00 O ATOM 0 H ASP A 83 4.732 -2.343 0.217 1.00 0.00 H new ATOM 0 HA ASP A 83 6.058 -4.910 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.827 -2.961 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.673 -4.621 2.223 1.00 0.00 H new ATOM 1270 N LEU A 84 4.423 -6.131 1.137 1.00 0.00 N ATOM 1271 CA LEU A 84 3.419 -6.854 1.904 1.00 0.00 C ATOM 1272 C LEU A 84 4.149 -7.500 3.075 1.00 0.00 C ATOM 1273 O LEU A 84 5.232 -8.057 2.883 1.00 0.00 O ATOM 1274 CB LEU A 84 2.741 -7.930 1.042 1.00 0.00 C ATOM 1275 CG LEU A 84 1.709 -7.525 -0.041 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.163 -6.099 0.070 1.00 0.00 C ATOM 1277 CD2 LEU A 84 2.279 -7.705 -1.451 1.00 0.00 C ATOM 0 H LEU A 84 5.109 -6.739 0.690 1.00 0.00 H new ATOM 0 HA LEU A 84 2.636 -6.178 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.532 -8.489 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.242 -8.621 1.721 1.00 0.00 H new ATOM 0 HG LEU A 84 0.874 -8.202 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.450 -5.919 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.665 -5.974 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.985 -5.388 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.530 -7.412 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.165 -7.081 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.548 -8.750 -1.604 1.00 0.00 H new ATOM 1289 N LYS A 85 3.583 -7.437 4.280 1.00 0.00 N ATOM 1290 CA LYS A 85 4.126 -8.079 5.481 1.00 0.00 C ATOM 1291 C LYS A 85 2.966 -8.591 6.323 1.00 0.00 C ATOM 1292 O LYS A 85 1.813 -8.231 6.071 1.00 0.00 O ATOM 1293 CB LYS A 85 4.961 -7.100 6.334 1.00 0.00 C ATOM 1294 CG LYS A 85 6.093 -6.347 5.614 1.00 0.00 C ATOM 1295 CD LYS A 85 7.281 -7.268 5.325 1.00 0.00 C ATOM 1296 CE LYS A 85 8.290 -6.537 4.441 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.543 -7.307 4.321 1.00 0.00 N ATOM 0 H LYS A 85 2.716 -6.928 4.454 1.00 0.00 H new ATOM 0 HA LYS A 85 4.780 -8.892 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.284 -6.363 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.397 -7.658 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.718 -5.930 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.422 -5.508 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.754 -7.573 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.938 -8.176 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.862 -6.375 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.502 -5.554 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.212 -6.789 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.961 -7.440 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.341 -8.235 3.898 1.00 0.00 H new ATOM 1311 N ASN A 86 3.273 -9.369 7.363 1.00 0.00 N ATOM 1312 CA ASN A 86 2.315 -10.002 8.266 1.00 0.00 C ATOM 1313 C ASN A 86 1.258 -10.809 7.509 1.00 0.00 C ATOM 1314 O ASN A 86 0.161 -11.042 8.021 1.00 0.00 O ATOM 1315 CB ASN A 86 1.740 -8.975 9.255 1.00 0.00 C ATOM 1316 CG ASN A 86 2.804 -8.514 10.238 1.00 0.00 C ATOM 1317 OD1 ASN A 86 3.456 -9.328 10.881 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.048 -7.225 10.388 1.00 0.00 N ATOM 0 H ASN A 86 4.240 -9.583 7.608 1.00 0.00 H new ATOM 0 HA ASN A 86 2.841 -10.741 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.348 -8.117 8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.904 -9.416 9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.774 -6.915 11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.511 -6.539 9.857 1.00 0.00 H new ATOM 1325 N ALA A 87 1.586 -11.276 6.299 1.00 0.00 N ATOM 1326 CA ALA A 87 0.696 -12.072 5.479 1.00 0.00 C ATOM 1327 C ALA A 87 0.411 -13.378 6.220 1.00 0.00 C ATOM 1328 O ALA A 87 1.333 -14.126 6.537 1.00 0.00 O ATOM 1329 CB ALA A 87 1.327 -12.307 4.104 1.00 0.00 C ATOM 0 H ALA A 87 2.493 -11.103 5.865 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.249 -11.556 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.653 -12.906 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.504 -11.348 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.274 -12.834 4.223 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.845 -13.628 6.588 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.234 -14.839 7.307 1.00 0.00 C ATOM 1337 C LYS A 88 -1.261 -16.036 6.365 1.00 0.00 C ATOM 1338 O LYS A 88 -0.211 -16.629 6.099 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.527 -14.579 8.097 1.00 0.00 C ATOM 1340 CG LYS A 88 -2.218 -13.914 9.448 1.00 0.00 C ATOM 1341 CD LYS A 88 -3.064 -14.514 10.576 1.00 0.00 C ATOM 1342 CE LYS A 88 -2.365 -14.189 11.891 1.00 0.00 C ATOM 1343 NZ LYS A 88 -2.991 -14.889 13.031 1.00 0.00 N ATOM 0 H LYS A 88 -1.622 -12.996 6.395 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.489 -15.106 8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.191 -13.940 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.053 -15.519 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.160 -14.036 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.408 -12.843 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.071 -14.098 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.163 -15.592 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.314 -14.471 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.396 -13.113 12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.488 -14.643 13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.987 -14.601 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.939 -15.916 12.879 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.416 -16.332 5.779 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.623 -17.465 4.880 1.00 0.00 C ATOM 1359 C GLY A 89 -1.728 -17.483 3.633 1.00 0.00 C ATOM 1360 O GLY A 89 -1.719 -18.473 2.906 1.00 0.00 O ATOM 0 H GLY A 89 -3.259 -15.775 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.458 -18.386 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.665 -17.468 4.560 1.00 0.00 H new ATOM 1364 N LEU A 90 -0.966 -16.415 3.365 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.089 -16.293 2.202 1.00 0.00 C ATOM 1366 C LEU A 90 1.391 -16.265 2.576 1.00 0.00 C ATOM 1367 O LEU A 90 2.194 -16.412 1.667 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.408 -15.010 1.423 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.886 -14.843 1.051 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -2.191 -13.367 0.854 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.211 -15.631 -0.208 1.00 0.00 C ATOM 0 H LEU A 90 -0.944 -15.593 3.969 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.274 -17.177 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.097 -14.152 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.187 -14.997 0.510 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.507 -15.231 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.241 -13.245 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.984 -12.826 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.567 -12.970 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.264 -15.501 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.596 -15.270 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.006 -16.688 -0.039 1.00 0.00 H new ATOM 1383 N SER A 91 1.755 -16.056 3.850 1.00 0.00 N ATOM 1384 CA SER A 91 3.110 -15.996 4.410 1.00 0.00 C ATOM 1385 C SER A 91 4.182 -15.379 3.489 1.00 0.00 C ATOM 1386 O SER A 91 4.498 -14.192 3.610 1.00 0.00 O ATOM 1387 CB SER A 91 3.465 -17.391 4.936 1.00 0.00 C ATOM 1388 OG SER A 91 4.715 -17.385 5.583 1.00 0.00 O ATOM 0 H SER A 91 1.050 -15.913 4.573 1.00 0.00 H new ATOM 0 HA SER A 91 3.106 -15.282 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.695 -17.729 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.483 -18.101 4.109 1.00 0.00 H new ATOM 0 HG SER A 91 4.918 -18.286 5.911 1.00 0.00 H new ATOM 1394 N ASN A 92 4.777 -16.177 2.599 1.00 0.00 N ATOM 1395 CA ASN A 92 5.727 -15.776 1.564 1.00 0.00 C ATOM 1396 C ASN A 92 5.527 -16.579 0.281 1.00 0.00 C ATOM 1397 O ASN A 92 6.444 -16.696 -0.529 1.00 0.00 O ATOM 1398 CB ASN A 92 7.177 -15.890 2.077 1.00 0.00 C ATOM 1399 CG ASN A 92 7.643 -17.340 2.210 1.00 0.00 C ATOM 1400 OD1 ASN A 92 6.877 -18.230 2.574 1.00 0.00 O ATOM 1401 ND2 ASN A 92 8.889 -17.641 1.896 1.00 0.00 N ATOM 0 H ASN A 92 4.596 -17.181 2.583 1.00 0.00 H new ATOM 0 HA ASN A 92 5.537 -14.730 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.842 -15.360 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.255 -15.397 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.211 -18.607 1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 92 9.530 -16.908 1.593 1.00 0.00 H new ATOM 1408 N GLU A 93 4.333 -17.127 0.086 1.00 0.00 N ATOM 1409 CA GLU A 93 3.859 -17.707 -1.153 1.00 0.00 C ATOM 1410 C GLU A 93 3.355 -16.563 -2.048 1.00 0.00 C ATOM 1411 O GLU A 93 4.122 -15.675 -2.440 1.00 0.00 O ATOM 1412 CB GLU A 93 2.756 -18.738 -0.856 1.00 0.00 C ATOM 1413 CG GLU A 93 3.209 -19.927 -0.016 1.00 0.00 C ATOM 1414 CD GLU A 93 2.034 -20.878 0.195 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.453 -21.342 -0.810 1.00 0.00 O ATOM 1416 OE2 GLU A 93 1.683 -21.121 1.375 1.00 0.00 O ATOM 0 H GLU A 93 3.638 -17.178 0.830 1.00 0.00 H new ATOM 0 HA GLU A 93 4.658 -18.236 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.937 -18.236 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.358 -19.108 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.027 -20.447 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.589 -19.583 0.946 1.00 0.00 H new ATOM 1423 N SER A 94 2.054 -16.540 -2.334 1.00 0.00 N ATOM 1424 CA SER A 94 1.293 -15.659 -3.216 1.00 0.00 C ATOM 1425 C SER A 94 1.232 -14.198 -2.752 1.00 0.00 C ATOM 1426 O SER A 94 0.520 -13.367 -3.309 1.00 0.00 O ATOM 1427 CB SER A 94 -0.053 -16.340 -3.459 1.00 0.00 C ATOM 1428 OG SER A 94 0.280 -17.638 -3.928 1.00 0.00 O ATOM 0 H SER A 94 1.434 -17.223 -1.899 1.00 0.00 H new ATOM 0 HA SER A 94 1.804 -15.536 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.643 -16.389 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.647 -15.794 -4.192 1.00 0.00 H new ATOM 0 HG SER A 94 -0.541 -18.142 -4.106 1.00 0.00 H new ATOM 1434 N VAL A 95 2.076 -13.843 -1.790 1.00 0.00 N ATOM 1435 CA VAL A 95 2.545 -12.488 -1.582 1.00 0.00 C ATOM 1436 C VAL A 95 3.220 -11.997 -2.851 1.00 0.00 C ATOM 1437 O VAL A 95 2.871 -10.924 -3.327 1.00 0.00 O ATOM 1438 CB VAL A 95 3.546 -12.471 -0.419 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.779 -11.040 0.060 1.00 0.00 C ATOM 1440 CG2 VAL A 95 3.037 -13.354 0.713 1.00 0.00 C ATOM 0 H VAL A 95 2.459 -14.509 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 95 1.706 -11.835 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 95 4.502 -12.868 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.491 -11.044 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.177 -10.442 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.835 -10.611 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.751 -13.338 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.074 -12.980 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.921 -14.376 0.353 1.00 0.00 H new ATOM 1450 N ASN A 96 4.150 -12.791 -3.400 1.00 0.00 N ATOM 1451 CA ASN A 96 4.898 -12.437 -4.602 1.00 0.00 C ATOM 1452 C ASN A 96 3.958 -12.073 -5.744 1.00 0.00 C ATOM 1453 O ASN A 96 4.173 -11.077 -6.425 1.00 0.00 O ATOM 1454 CB ASN A 96 5.856 -13.560 -5.031 1.00 0.00 C ATOM 1455 CG ASN A 96 5.230 -14.699 -5.830 1.00 0.00 C ATOM 1456 OD1 ASN A 96 5.478 -14.843 -7.016 1.00 0.00 O ATOM 1457 ND2 ASN A 96 4.390 -15.532 -5.240 1.00 0.00 N ATOM 0 H ASN A 96 4.402 -13.702 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 96 5.501 -11.563 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.656 -13.121 -5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.317 -13.979 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.957 -16.285 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.174 -15.422 -4.249 1.00 0.00 H new ATOM 1464 N LEU A 97 2.881 -12.848 -5.889 1.00 0.00 N ATOM 1465 CA LEU A 97 1.866 -12.651 -6.910 1.00 0.00 C ATOM 1466 C LEU A 97 1.248 -11.279 -6.717 1.00 0.00 C ATOM 1467 O LEU A 97 1.229 -10.452 -7.622 1.00 0.00 O ATOM 1468 CB LEU A 97 0.836 -13.774 -6.763 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.393 -13.701 -7.682 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -1.076 -15.059 -7.492 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.387 -12.600 -7.310 1.00 0.00 C ATOM 0 H LEU A 97 2.692 -13.646 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 97 2.281 -12.689 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.339 -14.724 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.489 -13.786 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.081 -13.475 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.972 -15.106 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.391 -15.855 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.352 -15.184 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.225 -12.616 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.754 -12.768 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.892 -11.630 -7.360 1.00 0.00 H new ATOM 1483 N LEU A 98 0.712 -11.038 -5.523 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.034 -9.824 -5.262 1.00 0.00 C ATOM 1485 C LEU A 98 0.879 -8.607 -5.341 1.00 0.00 C ATOM 1486 O LEU A 98 0.453 -7.549 -5.790 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.684 -9.959 -3.885 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.574 -8.769 -3.488 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.620 -8.403 -4.540 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.283 -9.119 -2.175 1.00 0.00 C ATOM 0 H LEU A 98 0.784 -11.671 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.809 -9.681 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.284 -10.869 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.099 -10.078 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.925 -7.899 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.209 -7.556 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.121 -8.137 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.278 -9.255 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.921 -8.288 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.892 -10.011 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.541 -9.307 -1.399 1.00 0.00 H new ATOM 1502 N LYS A 99 2.142 -8.739 -4.950 1.00 0.00 N ATOM 1503 CA LYS A 99 3.118 -7.677 -5.107 1.00 0.00 C ATOM 1504 C LYS A 99 3.295 -7.366 -6.592 1.00 0.00 C ATOM 1505 O LYS A 99 3.147 -6.203 -6.965 1.00 0.00 O ATOM 1506 CB LYS A 99 4.412 -8.058 -4.371 1.00 0.00 C ATOM 1507 CG LYS A 99 5.092 -6.818 -3.774 1.00 0.00 C ATOM 1508 CD LYS A 99 5.927 -7.150 -2.525 1.00 0.00 C ATOM 1509 CE LYS A 99 7.411 -7.008 -2.845 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.289 -7.373 -1.719 1.00 0.00 N ATOM 0 H LYS A 99 2.513 -9.585 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 99 2.777 -6.749 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.187 -8.771 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.094 -8.554 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.735 -6.362 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.333 -6.080 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.656 -6.482 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.713 -8.166 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.652 -7.636 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.615 -5.978 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.283 -7.287 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.108 -6.736 -0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.096 -8.354 -1.432 1.00 0.00 H new ATOM 1524 N SER A 100 3.474 -8.385 -7.436 1.00 0.00 N ATOM 1525 CA SER A 100 3.521 -8.220 -8.881 1.00 0.00 C ATOM 1526 C SER A 100 2.236 -7.581 -9.425 1.00 0.00 C ATOM 1527 O SER A 100 2.288 -6.831 -10.398 1.00 0.00 O ATOM 1528 CB SER A 100 3.723 -9.575 -9.561 1.00 0.00 C ATOM 1529 OG SER A 100 4.919 -10.234 -9.184 1.00 0.00 O ATOM 0 H SER A 100 3.590 -9.351 -7.129 1.00 0.00 H new ATOM 0 HA SER A 100 4.358 -7.558 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.875 -10.219 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.724 -9.432 -10.642 1.00 0.00 H new ATOM 0 HG SER A 100 4.829 -10.577 -8.270 1.00 0.00 H new ATOM 1535 N HIS A 101 1.060 -7.897 -8.875 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.200 -7.304 -9.321 1.00 0.00 C ATOM 1537 C HIS A 101 -0.191 -5.805 -9.030 1.00 0.00 C ATOM 1538 O HIS A 101 -0.389 -4.989 -9.929 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.393 -7.964 -8.614 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.919 -9.223 -9.247 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -3.176 -9.743 -9.032 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -1.247 -10.076 -10.081 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -3.251 -10.905 -9.704 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -2.126 -11.111 -10.408 1.00 0.00 N ATOM 0 H HIS A 101 0.957 -8.567 -8.113 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.302 -7.468 -10.394 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.102 -8.190 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.206 -7.240 -8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.228 -9.969 -10.422 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.096 -11.577 -9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -1.948 -11.877 -11.057 1.00 0.00 H new ATOM 1552 N LEU A 102 0.058 -5.444 -7.772 1.00 0.00 N ATOM 1553 CA LEU A 102 0.029 -4.074 -7.288 1.00 0.00 C ATOM 1554 C LEU A 102 1.077 -3.238 -8.020 1.00 0.00 C ATOM 1555 O LEU A 102 0.795 -2.087 -8.358 1.00 0.00 O ATOM 1556 CB LEU A 102 0.199 -4.061 -5.766 1.00 0.00 C ATOM 1557 CG LEU A 102 -0.933 -4.773 -5.006 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.520 -4.965 -3.551 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.267 -4.039 -5.082 1.00 0.00 C ATOM 0 H LEU A 102 0.292 -6.120 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.937 -3.617 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.147 -4.534 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.258 -3.027 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.088 -5.737 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.320 -5.469 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.386 -5.570 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.330 -3.993 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.021 -4.596 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.159 -3.043 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.576 -3.953 -6.124 1.00 0.00 H new ATOM 1571 N GLU A 103 2.262 -3.800 -8.277 1.00 0.00 N ATOM 1572 CA GLU A 103 3.331 -3.128 -9.006 1.00 0.00 C ATOM 1573 C GLU A 103 2.880 -2.702 -10.400 1.00 0.00 C ATOM 1574 O GLU A 103 3.386 -1.707 -10.919 1.00 0.00 O ATOM 1575 CB GLU A 103 4.545 -4.054 -9.174 1.00 0.00 C ATOM 1576 CG GLU A 103 5.573 -3.926 -8.048 1.00 0.00 C ATOM 1577 CD GLU A 103 6.862 -4.637 -8.462 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.556 -4.109 -9.371 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.160 -5.716 -7.905 1.00 0.00 O ATOM 0 H GLU A 103 2.504 -4.745 -7.979 1.00 0.00 H new ATOM 0 HA GLU A 103 3.598 -2.249 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.200 -5.087 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.031 -3.834 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.774 -2.875 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.181 -4.363 -7.130 1.00 0.00 H new ATOM 1586 N GLU A 104 1.979 -3.455 -11.026 1.00 0.00 N ATOM 1587 CA GLU A 104 1.554 -3.229 -12.396 1.00 0.00 C ATOM 1588 C GLU A 104 0.300 -2.370 -12.413 1.00 0.00 C ATOM 1589 O GLU A 104 0.198 -1.482 -13.258 1.00 0.00 O ATOM 1590 CB GLU A 104 1.282 -4.582 -13.060 1.00 0.00 C ATOM 1591 CG GLU A 104 2.541 -5.450 -13.210 1.00 0.00 C ATOM 1592 CD GLU A 104 3.469 -5.089 -14.362 1.00 0.00 C ATOM 1593 OE1 GLU A 104 2.964 -4.565 -15.382 1.00 0.00 O ATOM 1594 OE2 GLU A 104 4.655 -5.490 -14.297 1.00 0.00 O ATOM 0 H GLU A 104 1.519 -4.251 -10.584 1.00 0.00 H new ATOM 0 HA GLU A 104 2.337 -2.706 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.543 -5.125 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.845 -4.414 -14.045 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.109 -5.394 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.230 -6.488 -13.332 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.621 -2.605 -11.473 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.807 -1.796 -11.227 1.00 0.00 C ATOM 1603 C LEU A 105 -1.400 -0.337 -11.064 1.00 0.00 C ATOM 1604 O LEU A 105 -1.993 0.551 -11.673 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.519 -2.330 -9.968 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.746 -1.494 -9.557 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.816 -1.525 -10.643 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.366 -2.017 -8.259 1.00 0.00 C ATOM 0 H LEU A 105 -0.552 -3.400 -10.838 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.498 -1.858 -12.068 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.833 -3.359 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.810 -2.352 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.396 -0.472 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.671 -0.927 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.408 -1.116 -11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.134 -2.554 -10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.229 -1.406 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.682 -3.051 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.629 -1.967 -7.458 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.353 -0.089 -10.271 1.00 0.00 N ATOM 1621 CA ALA A 106 0.134 1.240 -9.975 1.00 0.00 C ATOM 1622 C ALA A 106 0.407 2.041 -11.256 1.00 0.00 C ATOM 1623 O ALA A 106 0.089 3.224 -11.290 1.00 0.00 O ATOM 1624 CB ALA A 106 1.376 1.099 -9.088 1.00 0.00 C ATOM 0 H ALA A 106 0.182 -0.827 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.625 1.810 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.766 2.088 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.108 0.581 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.138 0.527 -9.617 1.00 0.00 H new ATOM 1630 N LYS A 107 0.957 1.427 -12.316 1.00 0.00 N ATOM 1631 CA LYS A 107 1.267 2.149 -13.559 1.00 0.00 C ATOM 1632 C LYS A 107 -0.004 2.664 -14.223 1.00 0.00 C ATOM 1633 O LYS A 107 -0.026 3.778 -14.745 1.00 0.00 O ATOM 1634 CB LYS A 107 2.028 1.270 -14.561 1.00 0.00 C ATOM 1635 CG LYS A 107 3.533 1.187 -14.290 1.00 0.00 C ATOM 1636 CD LYS A 107 3.875 0.198 -13.176 1.00 0.00 C ATOM 1637 CE LYS A 107 5.368 -0.114 -13.198 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.811 -0.839 -11.993 1.00 0.00 N ATOM 0 H LYS A 107 1.195 0.435 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 107 1.902 2.989 -13.277 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.608 0.264 -14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.870 1.661 -15.566 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.047 0.891 -15.204 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.905 2.175 -14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.596 0.616 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.301 -0.720 -13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.599 -0.709 -14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.929 0.816 -13.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.548 -1.525 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.195 -0.163 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.003 -1.341 -11.573 1.00 0.00 H new ATOM 1652 N LYS A 108 -1.064 1.859 -14.215 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.317 2.148 -14.903 1.00 0.00 C ATOM 1654 C LYS A 108 -3.045 3.263 -14.165 1.00 0.00 C ATOM 1655 O LYS A 108 -3.792 4.017 -14.770 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.173 0.872 -14.957 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.427 -0.291 -15.637 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.113 -1.637 -15.396 1.00 0.00 C ATOM 1659 CE LYS A 108 -2.073 -2.737 -15.621 1.00 0.00 C ATOM 1660 NZ LYS A 108 -2.625 -4.075 -15.367 1.00 0.00 N ATOM 0 H LYS A 108 -1.074 0.968 -13.718 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.122 2.476 -15.924 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.455 0.581 -13.945 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.097 1.077 -15.498 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.365 -0.103 -16.709 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.405 -0.334 -15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.510 -1.688 -14.382 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.956 -1.763 -16.075 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.706 -2.685 -16.646 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.218 -2.567 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.889 -4.791 -15.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.953 -4.134 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.425 -4.248 -16.009 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.777 3.372 -12.864 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.358 4.322 -11.943 1.00 0.00 C ATOM 1676 C GLN A 109 -2.427 5.527 -11.707 1.00 0.00 C ATOM 1677 O GLN A 109 -2.646 6.291 -10.769 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.628 3.581 -10.623 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.609 2.396 -10.727 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.083 2.773 -10.889 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.546 3.857 -10.292 1.00 0.00 O flip ATOM 1682 NE2 GLN A 109 -6.841 2.038 -11.514 1.00 0.00 N flip ATOM 0 H GLN A 109 -2.105 2.756 -12.406 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.283 4.720 -12.360 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.680 3.214 -10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.020 4.294 -9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.315 1.777 -11.575 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.505 1.782 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.478 1.203 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.834 2.262 -11.575 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.320 5.637 -12.450 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.280 6.622 -12.196 1.00 0.00 C ATOM 1693 C CYS A 110 -0.824 8.028 -12.452 1.00 0.00 C ATOM 1694 O CYS A 110 -1.704 8.224 -13.287 1.00 0.00 O ATOM 1695 CB CYS A 110 0.934 6.277 -13.071 1.00 0.00 C ATOM 1696 SG CYS A 110 2.288 7.483 -12.939 1.00 0.00 S ATOM 0 H CYS A 110 -1.126 5.036 -13.251 1.00 0.00 H new ATOM 0 HA CYS A 110 0.040 6.602 -11.154 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.307 5.292 -12.790 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.616 6.212 -14.111 1.00 0.00 H new ATOM 0 HG CYS A 110 2.191 8.123 -11.812 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.272 9.024 -11.765 1.00 0.00 N ATOM 1703 CA GLY A 111 -0.668 10.416 -11.891 1.00 0.00 C ATOM 1704 C GLY A 111 -1.730 10.806 -10.867 1.00 0.00 C ATOM 1705 O GLY A 111 -1.779 11.975 -10.481 1.00 0.00 O ATOM 0 H GLY A 111 0.480 8.878 -11.091 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.207 11.054 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.051 10.594 -12.896 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.505 9.856 -10.343 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.457 10.092 -9.269 1.00 0.00 C ATOM 1711 C GLU A 112 -3.317 8.993 -8.209 1.00 0.00 C ATOM 1712 O GLU A 112 -2.383 8.191 -8.240 1.00 0.00 O ATOM 1713 CB GLU A 112 -4.863 10.317 -9.848 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.568 9.031 -10.297 1.00 0.00 C ATOM 1715 CD GLU A 112 -6.484 9.198 -11.522 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -6.884 10.333 -11.875 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -6.826 8.154 -12.133 1.00 0.00 O ATOM 0 H GLU A 112 -2.485 8.887 -10.661 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.244 11.017 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.478 10.813 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.790 10.995 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.813 8.278 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.160 8.648 -9.466 1.00 0.00 H new ATOM 1724 N VAL A 113 -4.147 9.040 -7.174 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.817 8.456 -5.882 1.00 0.00 C ATOM 1726 C VAL A 113 -4.271 6.992 -5.844 1.00 0.00 C ATOM 1727 O VAL A 113 -5.436 6.655 -5.627 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.325 9.377 -4.756 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.533 10.695 -4.790 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.815 9.712 -4.868 1.00 0.00 C ATOM 0 H VAL A 113 -5.065 9.483 -7.207 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.741 8.400 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.180 8.836 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.887 11.353 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.473 10.487 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.677 11.181 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.104 10.364 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.004 10.219 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.399 8.792 -4.826 1.00 0.00 H new ATOM 1740 N MET A 114 -3.337 6.091 -6.129 1.00 0.00 N ATOM 1741 CA MET A 114 -3.628 4.696 -6.421 1.00 0.00 C ATOM 1742 C MET A 114 -3.828 3.882 -5.152 1.00 0.00 C ATOM 1743 O MET A 114 -4.333 2.771 -5.247 1.00 0.00 O ATOM 1744 CB MET A 114 -2.509 4.087 -7.281 1.00 0.00 C ATOM 1745 CG MET A 114 -1.107 4.219 -6.674 1.00 0.00 C ATOM 1746 SD MET A 114 -0.225 5.714 -7.184 1.00 0.00 S ATOM 1747 CE MET A 114 0.318 5.256 -8.837 1.00 0.00 C ATOM 0 H MET A 114 -2.342 6.315 -6.164 1.00 0.00 H new ATOM 0 HA MET A 114 -4.563 4.664 -6.980 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.725 3.031 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.516 4.567 -8.259 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.190 4.211 -5.587 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.517 3.347 -6.955 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.035 5.992 -9.202 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.790 4.274 -8.806 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.542 5.224 -9.507 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.434 4.367 -3.967 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.409 3.526 -2.764 1.00 0.00 C ATOM 1759 C ILE A 115 -4.828 3.090 -2.361 1.00 0.00 C ATOM 1760 O ILE A 115 -4.997 1.980 -1.849 1.00 0.00 O ATOM 1761 CB ILE A 115 -2.582 4.174 -1.624 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.159 4.514 -2.132 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -2.480 3.209 -0.430 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -0.267 5.246 -1.117 1.00 0.00 C ATOM 0 H ILE A 115 -3.131 5.329 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.879 2.602 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.082 5.089 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.664 3.589 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.246 5.129 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.897 3.674 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.480 2.980 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.991 2.288 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.708 5.441 -1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.733 6.191 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.142 4.626 -0.229 1.00 0.00 H new ATOM 1776 N PHE A 116 -5.858 3.885 -2.681 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.246 3.458 -2.508 1.00 0.00 C ATOM 1778 C PHE A 116 -7.523 2.211 -3.363 1.00 0.00 C ATOM 1779 O PHE A 116 -8.143 1.261 -2.881 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.225 4.607 -2.820 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.537 5.524 -1.641 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.364 5.061 -0.600 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -8.057 6.847 -1.584 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.690 5.883 0.486 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.391 7.674 -0.491 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.196 7.191 0.555 1.00 0.00 C ATOM 0 H PHE A 116 -5.753 4.826 -3.060 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.405 3.189 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.810 5.208 -3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.159 4.180 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.754 4.055 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.432 7.229 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.325 5.506 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -8.024 8.689 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.430 7.821 1.401 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.012 2.171 -4.596 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.146 1.033 -5.493 1.00 0.00 C ATOM 1798 C GLU A 117 -6.294 -0.131 -4.998 1.00 0.00 C ATOM 1799 O GLU A 117 -6.732 -1.272 -5.058 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.712 1.422 -6.920 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.806 1.174 -7.961 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.286 -0.277 -8.071 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.183 -0.692 -7.302 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -7.803 -1.003 -8.971 1.00 0.00 O ATOM 0 H GLU A 117 -6.485 2.945 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.193 0.729 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.434 2.476 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.823 0.854 -7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.662 1.806 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.436 1.492 -8.936 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.083 0.134 -4.494 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.177 -0.920 -4.045 1.00 0.00 C ATOM 1813 C LEU A 118 -4.830 -1.711 -2.918 1.00 0.00 C ATOM 1814 O LEU A 118 -4.816 -2.945 -2.930 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.806 -0.379 -3.592 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.016 0.439 -4.639 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.551 0.480 -4.220 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.135 -0.043 -6.085 1.00 0.00 C ATOM 0 H LEU A 118 -4.710 1.077 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.989 -1.571 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.958 0.246 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.190 -1.223 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.468 1.431 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.020 1.054 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.466 0.951 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.158 -0.536 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.542 0.602 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.769 -1.067 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.179 -0.008 -6.395 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.385 -0.998 -1.940 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.156 -1.592 -0.853 1.00 0.00 C ATOM 1832 C ALA A 119 -7.349 -2.409 -1.361 1.00 0.00 C ATOM 1833 O ALA A 119 -7.508 -3.563 -0.962 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.562 -0.510 0.140 1.00 0.00 C ATOM 0 H ALA A 119 -5.311 0.018 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.522 -2.309 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.138 -0.957 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.669 -0.037 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.170 0.239 -0.367 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.165 -1.852 -2.260 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.280 -2.576 -2.867 1.00 0.00 C ATOM 1842 C HIS A 120 -8.808 -3.840 -3.600 1.00 0.00 C ATOM 1843 O HIS A 120 -9.425 -4.892 -3.449 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.047 -1.644 -3.818 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.299 -1.025 -3.245 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.383 -0.648 -4.000 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -11.603 -0.774 -1.932 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.329 -0.188 -3.167 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.904 -0.251 -1.889 1.00 0.00 N ATOM 0 H HIS A 120 -8.070 -0.890 -2.585 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.948 -2.902 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.378 -0.844 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.316 -2.206 -4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.957 -0.948 -1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.296 0.181 -3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.425 0.026 -1.057 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.708 -3.770 -4.349 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.152 -4.897 -5.079 1.00 0.00 C ATOM 1859 C HIS A 121 -6.748 -6.001 -4.104 1.00 0.00 C ATOM 1860 O HIS A 121 -7.075 -7.164 -4.324 1.00 0.00 O ATOM 1861 CB HIS A 121 -5.967 -4.437 -5.933 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.539 -5.488 -6.925 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -5.906 -5.516 -8.243 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.814 -6.620 -6.676 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.419 -6.635 -8.785 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -4.739 -7.351 -7.869 1.00 0.00 N ATOM 0 H HIS A 121 -7.172 -2.910 -4.464 1.00 0.00 H new ATOM 0 HA HIS A 121 -7.908 -5.304 -5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.237 -3.525 -6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.127 -4.189 -5.283 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.377 -6.901 -5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.552 -6.926 -9.816 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.266 -8.243 -8.014 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.055 -5.656 -3.014 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.747 -6.596 -1.954 1.00 0.00 C ATOM 1876 C VAL A 122 -7.032 -7.203 -1.390 1.00 0.00 C ATOM 1877 O VAL A 122 -7.057 -8.422 -1.262 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.844 -5.943 -0.894 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.710 -6.792 0.374 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.443 -5.732 -1.478 1.00 0.00 C ATOM 0 H VAL A 122 -5.696 -4.715 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.172 -7.430 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.311 -4.996 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.062 -6.282 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.694 -6.939 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.279 -7.760 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.802 -5.269 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.022 -6.694 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.507 -5.083 -2.351 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.092 -6.442 -1.091 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.347 -7.041 -0.619 1.00 0.00 C ATOM 1892 C GLN A 123 -9.899 -8.039 -1.649 1.00 0.00 C ATOM 1893 O GLN A 123 -10.307 -9.147 -1.287 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.416 -5.980 -0.296 1.00 0.00 C ATOM 1895 CG GLN A 123 -10.206 -5.174 0.982 1.00 0.00 C ATOM 1896 CD GLN A 123 -11.467 -4.380 1.346 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -12.597 -4.700 0.974 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -11.290 -3.326 2.103 1.00 0.00 N ATOM 0 H GLN A 123 -8.107 -5.425 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 123 -9.112 -7.569 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.471 -5.285 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.383 -6.478 -0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.946 -5.845 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -9.367 -4.491 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.351 -3.068 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -12.091 -2.763 2.389 1.00 0.00 H new ATOM 1907 N SER A 124 -9.886 -7.667 -2.933 1.00 0.00 N ATOM 1908 CA SER A 124 -10.353 -8.496 -4.038 1.00 0.00 C ATOM 1909 C SER A 124 -9.564 -9.810 -4.089 1.00 0.00 C ATOM 1910 O SER A 124 -10.167 -10.882 -4.208 1.00 0.00 O ATOM 1911 CB SER A 124 -10.243 -7.704 -5.357 1.00 0.00 C ATOM 1912 OG SER A 124 -11.098 -8.224 -6.363 1.00 0.00 O ATOM 0 H SER A 124 -9.540 -6.756 -3.236 1.00 0.00 H new ATOM 0 HA SER A 124 -11.401 -8.756 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.493 -6.659 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.212 -7.729 -5.710 1.00 0.00 H new ATOM 0 HG SER A 124 -11.000 -7.694 -7.182 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.234 -9.747 -3.978 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.357 -10.891 -4.053 1.00 0.00 C ATOM 1920 C PHE A 125 -7.505 -11.728 -2.792 1.00 0.00 C ATOM 1921 O PHE A 125 -7.478 -12.951 -2.854 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.923 -10.377 -4.156 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.900 -11.479 -4.050 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.522 -12.242 -5.166 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.388 -11.783 -2.782 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.606 -13.300 -5.009 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.457 -12.823 -2.631 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.050 -13.571 -3.747 1.00 0.00 C ATOM 0 H PHE A 125 -7.736 -8.869 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.606 -11.506 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.795 -9.858 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.746 -9.646 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.932 -12.019 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.710 -11.217 -1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.330 -13.905 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.053 -13.048 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.312 -14.352 -3.636 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.627 -11.076 -1.633 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.707 -11.760 -0.365 1.00 0.00 C ATOM 1940 C LEU A 126 -8.940 -12.647 -0.403 1.00 0.00 C ATOM 1941 O LEU A 126 -8.810 -13.831 -0.150 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.747 -10.790 0.828 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.373 -10.240 1.255 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.566 -9.117 2.270 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.501 -11.312 1.919 1.00 0.00 C ATOM 0 H LEU A 126 -7.672 -10.060 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.808 -12.359 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.397 -9.952 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.200 -11.300 1.679 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.878 -9.887 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.593 -8.728 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.153 -8.316 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.090 -9.503 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.543 -10.877 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.005 -11.691 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.335 -12.131 1.219 1.00 0.00 H new ATOM 1957 N SER A 127 -10.112 -12.107 -0.743 1.00 0.00 N ATOM 1958 CA SER A 127 -11.345 -12.878 -0.875 1.00 0.00 C ATOM 1959 C SER A 127 -11.146 -14.069 -1.822 1.00 0.00 C ATOM 1960 O SER A 127 -11.536 -15.189 -1.505 1.00 0.00 O ATOM 1961 CB SER A 127 -12.460 -11.959 -1.380 1.00 0.00 C ATOM 1962 OG SER A 127 -13.731 -12.524 -1.139 1.00 0.00 O ATOM 0 H SER A 127 -10.231 -11.112 -0.936 1.00 0.00 H new ATOM 0 HA SER A 127 -11.624 -13.279 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.389 -10.990 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.334 -11.782 -2.448 1.00 0.00 H new ATOM 0 HG SER A 127 -14.426 -11.917 -1.469 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.523 -13.840 -2.977 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.196 -14.861 -3.966 1.00 0.00 C ATOM 1970 C GLU A 128 -9.389 -16.012 -3.353 1.00 0.00 C ATOM 1971 O GLU A 128 -9.677 -17.181 -3.604 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.372 -14.184 -5.066 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.129 -13.972 -6.378 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.051 -15.203 -7.270 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -10.678 -16.235 -6.960 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -9.335 -15.158 -8.303 1.00 0.00 O ATOM 0 H GLU A 128 -10.223 -12.906 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.117 -15.290 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.024 -13.218 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.486 -14.788 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.173 -13.741 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.714 -13.113 -6.904 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.378 -15.680 -2.549 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.498 -16.625 -1.865 1.00 0.00 C ATOM 1985 C HIS A 129 -8.071 -17.067 -0.504 1.00 0.00 C ATOM 1986 O HIS A 129 -7.430 -17.806 0.246 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.122 -15.964 -1.706 1.00 0.00 C ATOM 1988 CG HIS A 129 -4.987 -16.822 -2.190 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.399 -17.869 -1.514 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.302 -16.635 -3.359 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -3.345 -18.266 -2.248 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.239 -17.540 -3.376 1.00 0.00 N ATOM 0 H HIS A 129 -8.142 -14.708 -2.350 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.409 -17.533 -2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.114 -15.022 -2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.963 -15.723 -0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -4.540 -15.917 -4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -2.672 -19.063 -1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -2.525 -17.632 -4.099 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.253 -16.561 -0.144 1.00 0.00 N ATOM 2001 CA ASN A 130 -9.952 -16.851 1.114 1.00 0.00 C ATOM 2002 C ASN A 130 -10.874 -18.035 0.884 1.00 0.00 C ATOM 2003 O ASN A 130 -10.762 -19.027 1.598 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.729 -15.630 1.636 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.636 -15.830 2.851 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.620 -15.112 2.967 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.349 -16.712 3.792 1.00 0.00 N ATOM 0 H ASN A 130 -9.770 -15.915 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.220 -17.094 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -10.006 -14.853 1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.342 -15.248 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -11.947 -16.794 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -10.529 -17.311 3.696 1.00 0.00 H new