USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 871 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 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc=-0.00249 (180deg=-0.121) USER MOD Single : A 17 CYS SG : rot -130:sc= -2.69 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.25 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.04 F(o=-4.9,f=-2) USER MOD Single : A 35 THR OG1 : rot -170:sc= 0.888 USER MOD Single : A 38 TYR OH : rot 113:sc= 0.317 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 48 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.0059) USER MOD Single : A 52 TYR OH : rot -25:sc= 0.0403 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.646 F(o=-1.9!,f=-0.65) USER MOD Single : A 54 HIS : no HD1:sc= -0.0855 X(o=-0.085,f=-0.013) USER MOD Single : A 57 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.61) USER MOD Single : A 58 GLN : amide:sc= 1.04 K(o=1,f=-2.1!) USER MOD Single : A 59 CYS SG : rot 128:sc= -0.816 USER MOD Single : A 60 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 87 THR OG1 : rot -68:sc= 0.967 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.53! C(o=-3.5!,f=-6.9!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 84:sc= 0.728 USER MOD Single : A 103 THR OG1 : rot 92:sc= 0.012 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.449 8.872 8.474 1.00 0.00 N ATOM 117 CA LYS A 11 -9.269 9.434 9.118 1.00 0.00 C ATOM 118 C LYS A 11 -8.099 8.457 9.060 1.00 0.00 C ATOM 119 O LYS A 11 -8.279 7.275 8.763 1.00 0.00 O ATOM 120 CB LYS A 11 -9.578 9.789 10.575 1.00 0.00 C ATOM 121 CG LYS A 11 -10.588 10.914 10.725 1.00 0.00 C ATOM 122 CD LYS A 11 -9.906 12.270 10.791 1.00 0.00 C ATOM 123 CE LYS A 11 -9.072 12.536 9.547 1.00 0.00 C ATOM 124 NZ LYS A 11 -8.629 13.956 9.468 1.00 0.00 N ATOM 0 HA LYS A 11 -8.990 10.340 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.956 8.902 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.652 10.074 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.282 10.895 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.177 10.757 11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.658 13.052 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.269 12.315 11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.199 11.883 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.654 12.288 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.064 14.096 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.462 14.578 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.052 14.187 10.302 1.00 0.00 H new ATOM 138 N ILE A 12 -6.902 8.957 9.345 1.00 0.00 N ATOM 139 CA ILE A 12 -5.703 8.126 9.327 1.00 0.00 C ATOM 140 C ILE A 12 -4.901 8.291 10.613 1.00 0.00 C ATOM 141 O ILE A 12 -4.925 9.350 11.241 1.00 0.00 O ATOM 142 CB ILE A 12 -4.802 8.466 8.125 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.544 7.593 8.142 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.430 9.940 8.141 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.742 7.666 6.861 1.00 0.00 C ATOM 0 H ILE A 12 -6.736 9.933 9.591 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.036 7.092 9.240 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.353 8.261 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.911 7.898 8.976 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.832 6.557 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.793 10.164 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.336 10.544 8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.894 10.170 9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.865 7.023 6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.359 7.333 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.423 8.694 6.689 1.00 0.00 H new ATOM 157 N ASP A 13 -4.189 7.238 10.999 1.00 0.00 N ATOM 158 CA ASP A 13 -3.376 7.266 12.209 1.00 0.00 C ATOM 159 C ASP A 13 -1.950 7.705 11.895 1.00 0.00 C ATOM 160 O ASP A 13 -0.985 7.112 12.380 1.00 0.00 O ATOM 161 CB ASP A 13 -3.365 5.889 12.873 1.00 0.00 C ATOM 162 CG ASP A 13 -4.438 5.749 13.935 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.623 5.982 13.615 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.094 5.407 15.085 1.00 0.00 O ATOM 0 H ASP A 13 -4.158 6.354 10.491 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.816 7.988 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.508 5.121 12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.388 5.714 13.323 1.00 0.00 H new ATOM 169 N LYS A 14 -1.822 8.745 11.078 1.00 0.00 N ATOM 170 CA LYS A 14 -0.514 9.264 10.698 1.00 0.00 C ATOM 171 C LYS A 14 0.547 8.866 11.719 1.00 0.00 C ATOM 172 O LYS A 14 1.611 8.365 11.359 1.00 0.00 O ATOM 173 CB LYS A 14 -0.564 10.788 10.567 1.00 0.00 C ATOM 174 CG LYS A 14 -0.849 11.267 9.154 1.00 0.00 C ATOM 175 CD LYS A 14 -1.625 12.575 9.154 1.00 0.00 C ATOM 176 CE LYS A 14 -0.717 13.761 9.438 1.00 0.00 C ATOM 177 NZ LYS A 14 0.162 14.077 8.279 1.00 0.00 N ATOM 0 H LYS A 14 -2.610 9.245 10.666 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.246 8.832 9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.332 11.177 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.387 11.204 10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.090 11.400 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.417 10.506 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.111 12.711 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.414 12.531 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.324 14.633 9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.102 13.546 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.601 15.009 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.904 13.353 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.405 14.090 7.407 1.00 0.00 H new ATOM 191 N GLU A 15 0.249 9.093 12.995 1.00 0.00 N ATOM 192 CA GLU A 15 1.178 8.758 14.068 1.00 0.00 C ATOM 193 C GLU A 15 1.567 7.283 14.008 1.00 0.00 C ATOM 194 O GLU A 15 2.739 6.946 13.839 1.00 0.00 O ATOM 195 CB GLU A 15 0.556 9.077 15.429 1.00 0.00 C ATOM 196 CG GLU A 15 -0.430 10.233 15.392 1.00 0.00 C ATOM 197 CD GLU A 15 -0.484 10.996 16.700 1.00 0.00 C ATOM 198 OE1 GLU A 15 -0.772 10.372 17.742 1.00 0.00 O ATOM 199 OE2 GLU A 15 -0.236 12.221 16.682 1.00 0.00 O ATOM 0 H GLU A 15 -0.628 9.507 13.310 1.00 0.00 H new ATOM 0 HA GLU A 15 2.077 9.360 13.938 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.048 8.189 15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.351 9.311 16.137 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.153 10.916 14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.423 9.851 15.158 1.00 0.00 H new ATOM 206 N ALA A 16 0.576 6.409 14.149 1.00 0.00 N ATOM 207 CA ALA A 16 0.815 4.972 14.109 1.00 0.00 C ATOM 208 C ALA A 16 1.330 4.538 12.741 1.00 0.00 C ATOM 209 O ALA A 16 2.108 3.589 12.633 1.00 0.00 O ATOM 210 CB ALA A 16 -0.459 4.216 14.460 1.00 0.00 C ATOM 0 H ALA A 16 -0.399 6.671 14.292 1.00 0.00 H new ATOM 0 HA ALA A 16 1.581 4.735 14.847 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.267 3.144 14.426 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.783 4.495 15.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.240 4.467 13.743 1.00 0.00 H new ATOM 216 N CYS A 17 0.892 5.236 11.701 1.00 0.00 N ATOM 217 CA CYS A 17 1.307 4.921 10.338 1.00 0.00 C ATOM 218 C CYS A 17 2.802 5.169 10.155 1.00 0.00 C ATOM 219 O CYS A 17 3.544 4.274 9.748 1.00 0.00 O ATOM 220 CB CYS A 17 0.513 5.757 9.334 1.00 0.00 C ATOM 221 SG CYS A 17 -1.276 5.719 9.593 1.00 0.00 S ATOM 0 H CYS A 17 0.249 6.025 11.774 1.00 0.00 H new ATOM 0 HA CYS A 17 1.106 3.865 10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.855 6.791 9.387 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.731 5.400 8.327 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.871 5.447 8.470 1.00 0.00 H new ATOM 227 N ARG A 18 3.235 6.389 10.457 1.00 0.00 N ATOM 228 CA ARG A 18 4.639 6.754 10.323 1.00 0.00 C ATOM 229 C ARG A 18 5.545 5.616 10.785 1.00 0.00 C ATOM 230 O ARG A 18 6.566 5.331 10.162 1.00 0.00 O ATOM 231 CB ARG A 18 4.938 8.018 11.132 1.00 0.00 C ATOM 232 CG ARG A 18 6.411 8.391 11.157 1.00 0.00 C ATOM 233 CD ARG A 18 6.618 9.816 11.647 1.00 0.00 C ATOM 234 NE ARG A 18 6.125 10.002 13.010 1.00 0.00 N ATOM 235 CZ ARG A 18 6.284 11.125 13.701 1.00 0.00 C ATOM 236 NH1 ARG A 18 6.919 12.156 13.161 1.00 0.00 N ATOM 237 NH2 ARG A 18 5.807 11.219 14.936 1.00 0.00 N ATOM 0 H ARG A 18 2.634 7.140 10.796 1.00 0.00 H new ATOM 0 HA ARG A 18 4.838 6.948 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.369 8.849 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.591 7.875 12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.951 7.701 11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.831 8.285 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.679 10.062 11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.106 10.508 10.978 1.00 0.00 H new ATOM 0 HE ARG A 18 5.632 9.228 13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.287 12.088 12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.039 13.017 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.318 10.428 15.355 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.930 12.082 15.466 1.00 0.00 H new ATOM 251 N ALA A 19 5.162 4.971 11.882 1.00 0.00 N ATOM 252 CA ALA A 19 5.937 3.863 12.427 1.00 0.00 C ATOM 253 C ALA A 19 6.095 2.746 11.401 1.00 0.00 C ATOM 254 O ALA A 19 7.205 2.287 11.135 1.00 0.00 O ATOM 255 CB ALA A 19 5.281 3.332 13.692 1.00 0.00 C ATOM 0 H ALA A 19 4.320 5.197 12.411 1.00 0.00 H new ATOM 0 HA ALA A 19 6.931 4.235 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.870 2.505 14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.227 4.127 14.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.275 2.982 13.461 1.00 0.00 H new ATOM 261 N ALA A 20 4.976 2.313 10.828 1.00 0.00 N ATOM 262 CA ALA A 20 4.990 1.251 9.831 1.00 0.00 C ATOM 263 C ALA A 20 5.748 1.682 8.579 1.00 0.00 C ATOM 264 O ALA A 20 6.567 0.932 8.048 1.00 0.00 O ATOM 265 CB ALA A 20 3.568 0.842 9.475 1.00 0.00 C ATOM 0 H ALA A 20 4.049 2.682 11.038 1.00 0.00 H new ATOM 0 HA ALA A 20 5.507 0.392 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.594 0.048 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.058 0.484 10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.032 1.701 9.072 1.00 0.00 H new ATOM 271 N TYR A 21 5.470 2.894 8.115 1.00 0.00 N ATOM 272 CA TYR A 21 6.123 3.425 6.923 1.00 0.00 C ATOM 273 C TYR A 21 7.629 3.544 7.136 1.00 0.00 C ATOM 274 O TYR A 21 8.400 3.590 6.178 1.00 0.00 O ATOM 275 CB TYR A 21 5.538 4.791 6.561 1.00 0.00 C ATOM 276 CG TYR A 21 6.483 5.661 5.764 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.625 5.491 4.391 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.232 6.655 6.382 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.488 6.284 3.659 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.096 7.453 5.657 1.00 0.00 C ATOM 281 CZ TYR A 21 8.221 7.263 4.297 1.00 0.00 C ATOM 282 OH TYR A 21 9.079 8.057 3.570 1.00 0.00 O ATOM 0 H TYR A 21 4.797 3.528 8.545 1.00 0.00 H new ATOM 0 HA TYR A 21 5.944 2.732 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.622 4.645 5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.262 5.313 7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.051 4.726 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.137 6.806 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.588 6.138 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.670 8.222 6.153 1.00 0.00 H new ATOM 0 HH TYR A 21 9.518 8.697 4.168 1.00 0.00 H new ATOM 292 N ASN A 22 8.040 3.592 8.399 1.00 0.00 N ATOM 293 CA ASN A 22 9.453 3.706 8.739 1.00 0.00 C ATOM 294 C ASN A 22 10.082 2.327 8.919 1.00 0.00 C ATOM 295 O ASN A 22 11.193 2.074 8.452 1.00 0.00 O ATOM 296 CB ASN A 22 9.628 4.529 10.017 1.00 0.00 C ATOM 297 CG ASN A 22 9.451 6.015 9.775 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.688 6.669 10.644 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 9.993 6.569 8.819 1.00 0.00 N flip ATOM 0 H ASN A 22 7.414 3.554 9.204 1.00 0.00 H new ATOM 0 HA ASN A 22 9.959 4.213 7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.905 4.196 10.762 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.620 4.346 10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.571 6.027 8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.864 7.570 8.669 1.00 0.00 H new ATOM 306 N LEU A 23 9.363 1.439 9.598 1.00 0.00 N ATOM 307 CA LEU A 23 9.850 0.086 9.840 1.00 0.00 C ATOM 308 C LEU A 23 10.328 -0.560 8.544 1.00 0.00 C ATOM 309 O LEU A 23 11.048 -1.559 8.563 1.00 0.00 O ATOM 310 CB LEU A 23 8.749 -0.768 10.473 1.00 0.00 C ATOM 311 CG LEU A 23 8.762 -0.811 12.001 1.00 0.00 C ATOM 312 CD1 LEU A 23 9.940 -1.633 12.502 1.00 0.00 C ATOM 313 CD2 LEU A 23 8.811 0.597 12.573 1.00 0.00 C ATOM 0 H LEU A 23 8.441 1.632 9.990 1.00 0.00 H new ATOM 0 HA LEU A 23 10.694 0.147 10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.782 -0.389 10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.838 -1.787 10.095 1.00 0.00 H new ATOM 0 HG LEU A 23 7.842 -1.288 12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.933 -1.652 13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.862 -2.651 12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.871 -1.185 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.820 0.547 13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.714 1.100 12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.935 1.155 12.242 1.00 0.00 H new ATOM 325 N VAL A 24 9.924 0.018 7.417 1.00 0.00 N ATOM 326 CA VAL A 24 10.313 -0.500 6.111 1.00 0.00 C ATOM 327 C VAL A 24 11.249 0.466 5.392 1.00 0.00 C ATOM 328 O VAL A 24 12.185 0.048 4.711 1.00 0.00 O ATOM 329 CB VAL A 24 9.081 -0.760 5.222 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.127 0.423 5.272 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.510 -1.049 3.791 1.00 0.00 C ATOM 0 H VAL A 24 9.328 0.845 7.382 1.00 0.00 H new ATOM 0 HA VAL A 24 10.833 -1.442 6.286 1.00 0.00 H new ATOM 0 HB VAL A 24 8.556 -1.635 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.263 0.221 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.795 0.580 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.638 1.317 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.628 -1.230 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.058 -0.194 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.151 -1.930 3.774 1.00 0.00 H new ATOM 341 N ARG A 25 10.990 1.759 5.550 1.00 0.00 N ATOM 342 CA ARG A 25 11.810 2.785 4.917 1.00 0.00 C ATOM 343 C ARG A 25 13.215 2.800 5.509 1.00 0.00 C ATOM 344 O ARG A 25 14.185 3.126 4.823 1.00 0.00 O ATOM 345 CB ARG A 25 11.161 4.161 5.082 1.00 0.00 C ATOM 346 CG ARG A 25 12.160 5.282 5.312 1.00 0.00 C ATOM 347 CD ARG A 25 11.475 6.640 5.350 1.00 0.00 C ATOM 348 NE ARG A 25 12.408 7.731 5.078 1.00 0.00 N ATOM 349 CZ ARG A 25 12.234 8.972 5.518 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.169 9.279 6.246 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.126 9.910 5.228 1.00 0.00 N ATOM 0 H ARG A 25 10.219 2.122 6.111 1.00 0.00 H new ATOM 0 HA ARG A 25 11.884 2.551 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.574 4.386 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.466 4.127 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.688 5.113 6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.908 5.273 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.669 6.660 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.019 6.789 6.329 1.00 0.00 H new ATOM 0 HE ARG A 25 13.238 7.529 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.480 8.561 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.039 10.233 6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.946 9.678 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.992 10.863 5.566 1.00 0.00 H new ATOM 365 N ASP A 26 13.319 2.448 6.786 1.00 0.00 N ATOM 366 CA ASP A 26 14.606 2.420 7.470 1.00 0.00 C ATOM 367 C ASP A 26 15.557 1.434 6.798 1.00 0.00 C ATOM 368 O ASP A 26 15.152 0.656 5.934 1.00 0.00 O ATOM 369 CB ASP A 26 14.417 2.043 8.941 1.00 0.00 C ATOM 370 CG ASP A 26 15.735 1.893 9.674 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.599 2.784 9.530 1.00 0.00 O ATOM 372 OD2 ASP A 26 15.905 0.884 10.390 1.00 0.00 O ATOM 0 H ASP A 26 12.526 2.178 7.368 1.00 0.00 H new ATOM 0 HA ASP A 26 15.043 3.417 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.815 2.806 9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.861 1.108 9.005 1.00 0.00 H new ATOM 417 N VAL A 31 11.825 -5.216 8.882 1.00 0.00 N ATOM 418 CA VAL A 31 10.569 -5.194 8.141 1.00 0.00 C ATOM 419 C VAL A 31 10.768 -4.627 6.740 1.00 0.00 C ATOM 420 O VAL A 31 11.343 -3.552 6.570 1.00 0.00 O ATOM 421 CB VAL A 31 9.501 -4.360 8.873 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.194 -4.364 8.094 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.291 -4.885 10.286 1.00 0.00 C ATOM 0 HA VAL A 31 10.226 -6.226 8.067 1.00 0.00 H new ATOM 0 HB VAL A 31 9.852 -3.330 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.451 -3.770 8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.359 -3.937 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.834 -5.388 7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.533 -4.284 10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.961 -5.923 10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.228 -4.824 10.840 1.00 0.00 H new ATOM 433 N ILE A 32 10.289 -5.358 5.739 1.00 0.00 N ATOM 434 CA ILE A 32 10.413 -4.928 4.352 1.00 0.00 C ATOM 435 C ILE A 32 9.050 -4.591 3.757 1.00 0.00 C ATOM 436 O ILE A 32 8.960 -4.014 2.673 1.00 0.00 O ATOM 437 CB ILE A 32 11.087 -6.008 3.485 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.075 -7.093 3.106 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.271 -6.616 4.221 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.604 -8.083 2.092 1.00 0.00 C ATOM 0 H ILE A 32 9.811 -6.251 5.863 1.00 0.00 H new ATOM 0 HA ILE A 32 11.037 -4.034 4.354 1.00 0.00 H new ATOM 0 HB ILE A 32 11.453 -5.542 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.777 -7.631 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.179 -6.619 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.736 -7.377 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.999 -5.836 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.927 -7.071 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.835 -8.823 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.876 -7.557 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.483 -8.584 2.497 1.00 0.00 H new ATOM 452 N TRP A 33 7.992 -4.953 4.473 1.00 0.00 N ATOM 453 CA TRP A 33 6.632 -4.689 4.017 1.00 0.00 C ATOM 454 C TRP A 33 5.722 -4.344 5.190 1.00 0.00 C ATOM 455 O TRP A 33 5.883 -4.872 6.290 1.00 0.00 O ATOM 456 CB TRP A 33 6.080 -5.900 3.265 1.00 0.00 C ATOM 457 CG TRP A 33 5.937 -7.119 4.124 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.761 -8.208 4.147 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.907 -7.373 5.087 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.306 -9.123 5.064 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.170 -8.635 5.654 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.790 -6.657 5.525 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.356 -9.194 6.636 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.982 -7.213 6.498 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.269 -8.471 7.046 1.00 0.00 C ATOM 0 H TRP A 33 8.050 -5.431 5.372 1.00 0.00 H new ATOM 0 HA TRP A 33 6.661 -3.834 3.341 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.107 -5.645 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.739 -6.130 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.641 -8.331 3.534 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.743 -10.021 5.272 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.562 -5.686 5.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.575 -10.163 7.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.115 -6.669 6.842 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.619 -8.878 7.807 1.00 0.00 H new ATOM 476 N VAL A 34 4.764 -3.454 4.949 1.00 0.00 N ATOM 477 CA VAL A 34 3.826 -3.041 5.986 1.00 0.00 C ATOM 478 C VAL A 34 2.459 -2.718 5.393 1.00 0.00 C ATOM 479 O VAL A 34 2.351 -1.967 4.423 1.00 0.00 O ATOM 480 CB VAL A 34 4.345 -1.809 6.752 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.677 -2.117 7.420 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.471 -0.614 5.819 1.00 0.00 C ATOM 0 H VAL A 34 4.617 -3.005 4.045 1.00 0.00 H new ATOM 0 HA VAL A 34 3.730 -3.877 6.679 1.00 0.00 H new ATOM 0 HB VAL A 34 3.625 -1.558 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.028 -1.235 7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.550 -2.942 8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.409 -2.395 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.839 0.247 6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.169 -0.851 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.495 -0.380 5.393 1.00 0.00 H new ATOM 492 N THR A 35 1.414 -3.291 5.985 1.00 0.00 N ATOM 493 CA THR A 35 0.053 -3.065 5.516 1.00 0.00 C ATOM 494 C THR A 35 -0.661 -2.029 6.376 1.00 0.00 C ATOM 495 O THR A 35 -0.277 -1.789 7.521 1.00 0.00 O ATOM 496 CB THR A 35 -0.766 -4.370 5.518 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.480 -5.125 6.701 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.451 -5.209 4.288 1.00 0.00 C ATOM 0 H THR A 35 1.485 -3.914 6.789 1.00 0.00 H new ATOM 0 HA THR A 35 0.129 -2.694 4.494 1.00 0.00 H new ATOM 0 HB THR A 35 -1.824 -4.109 5.499 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.877 -6.018 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.041 -6.125 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.695 -4.643 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.610 -5.461 4.281 1.00 0.00 H new ATOM 506 N PHE A 36 -1.701 -1.419 5.819 1.00 0.00 N ATOM 507 CA PHE A 36 -2.468 -0.408 6.536 1.00 0.00 C ATOM 508 C PHE A 36 -3.967 -0.646 6.374 1.00 0.00 C ATOM 509 O PHE A 36 -4.572 -0.219 5.390 1.00 0.00 O ATOM 510 CB PHE A 36 -2.107 0.991 6.032 1.00 0.00 C ATOM 511 CG PHE A 36 -0.636 1.290 6.099 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.199 0.966 5.043 1.00 0.00 C ATOM 513 CD2 PHE A 36 -0.089 1.896 7.219 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.553 1.240 5.103 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.263 2.172 7.284 1.00 0.00 C ATOM 516 CZ PHE A 36 2.086 1.844 6.224 1.00 0.00 C ATOM 0 H PHE A 36 -2.032 -1.607 4.873 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.217 -0.482 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.445 1.096 5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.648 1.732 6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.212 0.494 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.727 2.155 8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.194 0.981 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.676 2.644 8.163 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.143 2.059 6.272 1.00 0.00 H new ATOM 526 N ARG A 37 -4.559 -1.331 7.347 1.00 0.00 N ATOM 527 CA ARG A 37 -5.986 -1.629 7.313 1.00 0.00 C ATOM 528 C ARG A 37 -6.764 -0.659 8.197 1.00 0.00 C ATOM 529 O ARG A 37 -6.178 0.136 8.931 1.00 0.00 O ATOM 530 CB ARG A 37 -6.240 -3.067 7.768 1.00 0.00 C ATOM 531 CG ARG A 37 -5.752 -3.354 9.179 1.00 0.00 C ATOM 532 CD ARG A 37 -5.415 -4.826 9.363 1.00 0.00 C ATOM 533 NE ARG A 37 -5.492 -5.234 10.763 1.00 0.00 N ATOM 534 CZ ARG A 37 -5.674 -6.491 11.154 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.796 -7.457 10.253 1.00 0.00 N ATOM 536 NH2 ARG A 37 -5.732 -6.783 12.447 1.00 0.00 N ATOM 0 H ARG A 37 -4.073 -1.690 8.169 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.331 -1.515 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.309 -3.273 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.748 -3.750 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.871 -2.749 9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.519 -3.063 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.101 -5.432 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.411 -5.018 8.984 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.401 -4.515 11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.750 -7.235 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.936 -8.421 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.637 -6.042 13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.872 -7.748 12.746 1.00 0.00 H new ATOM 550 N TYR A 38 -8.089 -0.731 8.120 1.00 0.00 N ATOM 551 CA TYR A 38 -8.949 0.143 8.910 1.00 0.00 C ATOM 552 C TYR A 38 -9.335 -0.521 10.228 1.00 0.00 C ATOM 553 O TYR A 38 -9.555 -1.731 10.286 1.00 0.00 O ATOM 554 CB TYR A 38 -10.207 0.505 8.121 1.00 0.00 C ATOM 555 CG TYR A 38 -9.919 1.138 6.778 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.761 0.357 5.640 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.803 2.516 6.648 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.496 0.930 4.411 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.541 3.099 5.423 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.388 2.301 4.307 1.00 0.00 C ATOM 561 OH TYR A 38 -9.125 2.878 3.086 1.00 0.00 O ATOM 0 H TYR A 38 -8.590 -1.385 7.519 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.393 1.054 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.802 -0.396 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.813 1.190 8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.847 -0.717 5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.920 3.143 7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.374 0.308 3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.456 4.172 5.339 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.906 3.392 2.792 1.00 0.00 H new ATOM 571 N ASP A 39 -9.417 0.280 11.285 1.00 0.00 N ATOM 572 CA ASP A 39 -9.778 -0.227 12.603 1.00 0.00 C ATOM 573 C ASP A 39 -11.091 0.387 13.081 1.00 0.00 C ATOM 574 O ASP A 39 -11.437 0.298 14.257 1.00 0.00 O ATOM 575 CB ASP A 39 -8.666 0.070 13.610 1.00 0.00 C ATOM 576 CG ASP A 39 -8.627 -0.936 14.744 1.00 0.00 C ATOM 577 OD1 ASP A 39 -8.360 -2.126 14.473 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.864 -0.534 15.902 1.00 0.00 O ATOM 0 H ASP A 39 -9.238 1.284 11.254 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.909 -1.306 12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.705 0.071 13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.809 1.070 14.020 1.00 0.00 H new ATOM 583 N GLY A 40 -11.816 1.011 12.158 1.00 0.00 N ATOM 584 CA GLY A 40 -13.082 1.632 12.504 1.00 0.00 C ATOM 585 C GLY A 40 -13.123 3.104 12.146 1.00 0.00 C ATOM 586 O GLY A 40 -13.051 3.966 13.022 1.00 0.00 O ATOM 0 H GLY A 40 -11.550 1.098 11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.890 1.113 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.260 1.516 13.573 1.00 0.00 H new ATOM 590 N ALA A 41 -13.236 3.394 10.853 1.00 0.00 N ATOM 591 CA ALA A 41 -13.286 4.772 10.381 1.00 0.00 C ATOM 592 C ALA A 41 -11.940 5.465 10.565 1.00 0.00 C ATOM 593 O ALA A 41 -11.865 6.693 10.623 1.00 0.00 O ATOM 594 CB ALA A 41 -14.381 5.539 11.108 1.00 0.00 C ATOM 0 H ALA A 41 -13.295 2.693 10.115 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.514 4.757 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.407 6.567 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.344 5.064 10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.177 5.537 12.179 1.00 0.00 H new ATOM 600 N THR A 42 -10.879 4.671 10.660 1.00 0.00 N ATOM 601 CA THR A 42 -9.536 5.208 10.840 1.00 0.00 C ATOM 602 C THR A 42 -8.478 4.212 10.377 1.00 0.00 C ATOM 603 O THR A 42 -8.403 3.092 10.886 1.00 0.00 O ATOM 604 CB THR A 42 -9.271 5.574 12.312 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.452 6.132 12.898 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.125 6.569 12.424 1.00 0.00 C ATOM 0 H THR A 42 -10.923 3.653 10.615 1.00 0.00 H new ATOM 0 HA THR A 42 -9.472 6.110 10.231 1.00 0.00 H new ATOM 0 HB THR A 42 -8.996 4.664 12.846 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.276 6.361 13.835 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.956 6.813 13.473 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.220 6.131 12.003 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.377 7.477 11.876 1.00 0.00 H new ATOM 614 N ILE A 43 -7.664 4.624 9.412 1.00 0.00 N ATOM 615 CA ILE A 43 -6.610 3.767 8.885 1.00 0.00 C ATOM 616 C ILE A 43 -5.503 3.562 9.912 1.00 0.00 C ATOM 617 O ILE A 43 -5.116 4.493 10.618 1.00 0.00 O ATOM 618 CB ILE A 43 -5.999 4.355 7.598 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.096 4.637 6.569 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.959 3.405 7.025 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.772 5.786 5.641 1.00 0.00 C ATOM 0 H ILE A 43 -7.714 5.546 8.979 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.070 2.806 8.654 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.507 5.296 7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.266 3.738 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.027 4.855 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.536 3.834 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.166 3.250 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.429 2.450 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.593 5.929 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.631 6.696 6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.858 5.562 5.090 1.00 0.00 H new ATOM 633 N VAL A 44 -4.993 2.336 9.988 1.00 0.00 N ATOM 634 CA VAL A 44 -3.928 2.007 10.928 1.00 0.00 C ATOM 635 C VAL A 44 -3.112 0.817 10.438 1.00 0.00 C ATOM 636 O VAL A 44 -3.614 -0.070 9.747 1.00 0.00 O ATOM 637 CB VAL A 44 -4.489 1.691 12.326 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.398 2.813 12.803 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.232 0.363 12.314 1.00 0.00 C ATOM 0 H VAL A 44 -5.301 1.554 9.409 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.283 2.883 10.995 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.655 1.610 13.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.785 2.572 13.793 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.833 3.744 12.851 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.229 2.929 12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.622 0.155 13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.058 0.415 11.605 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.549 -0.433 12.018 1.00 0.00 H new ATOM 649 N PRO A 45 -1.821 0.794 10.803 1.00 0.00 N ATOM 650 CA PRO A 45 -0.907 -0.284 10.414 1.00 0.00 C ATOM 651 C PRO A 45 -1.460 -1.664 10.751 1.00 0.00 C ATOM 652 O PRO A 45 -1.726 -1.970 11.912 1.00 0.00 O ATOM 653 CB PRO A 45 0.352 0.003 11.236 1.00 0.00 C ATOM 654 CG PRO A 45 0.302 1.466 11.506 1.00 0.00 C ATOM 655 CD PRO A 45 -1.155 1.818 11.626 1.00 0.00 C ATOM 0 HA PRO A 45 -0.735 -0.303 9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.359 -0.571 12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.254 -0.268 10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.839 1.712 12.422 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.774 2.028 10.700 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.493 1.784 12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.357 2.824 11.258 1.00 0.00 H new ATOM 663 N GLY A 46 -1.630 -2.495 9.727 1.00 0.00 N ATOM 664 CA GLY A 46 -2.151 -3.833 9.935 1.00 0.00 C ATOM 665 C GLY A 46 -1.082 -4.805 10.395 1.00 0.00 C ATOM 666 O GLY A 46 -0.756 -4.865 11.581 1.00 0.00 O ATOM 0 H GLY A 46 -1.416 -2.265 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.949 -3.798 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.593 -4.196 9.007 1.00 0.00 H new ATOM 670 N ASP A 47 -0.538 -5.571 9.456 1.00 0.00 N ATOM 671 CA ASP A 47 0.500 -6.546 9.771 1.00 0.00 C ATOM 672 C ASP A 47 1.884 -5.990 9.449 1.00 0.00 C ATOM 673 O ASP A 47 2.012 -4.885 8.924 1.00 0.00 O ATOM 674 CB ASP A 47 0.264 -7.841 8.994 1.00 0.00 C ATOM 675 CG ASP A 47 -0.940 -8.610 9.501 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.075 -8.250 9.124 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.749 -9.570 10.276 1.00 0.00 O ATOM 0 H ASP A 47 -0.798 -5.536 8.470 1.00 0.00 H new ATOM 0 HA ASP A 47 0.453 -6.758 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.124 -7.607 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.150 -8.471 9.066 1.00 0.00 H new ATOM 682 N GLN A 48 2.916 -6.764 9.770 1.00 0.00 N ATOM 683 CA GLN A 48 4.290 -6.347 9.516 1.00 0.00 C ATOM 684 C GLN A 48 5.226 -7.550 9.483 1.00 0.00 C ATOM 685 O GLN A 48 4.934 -8.594 10.065 1.00 0.00 O ATOM 686 CB GLN A 48 4.751 -5.357 10.588 1.00 0.00 C ATOM 687 CG GLN A 48 4.684 -3.905 10.143 1.00 0.00 C ATOM 688 CD GLN A 48 4.616 -2.940 11.309 1.00 0.00 C ATOM 689 OE1 GLN A 48 3.549 -2.420 11.638 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.757 -2.694 11.942 1.00 0.00 N ATOM 0 H GLN A 48 2.827 -7.682 10.206 1.00 0.00 H new ATOM 0 HA GLN A 48 4.321 -5.858 8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.135 -5.485 11.478 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.776 -5.594 10.873 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.559 -3.674 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.810 -3.764 9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.618 -3.147 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.772 -2.052 12.735 1.00 0.00 H new ATOM 699 N GLY A 49 6.354 -7.398 8.796 1.00 0.00 N ATOM 700 CA GLY A 49 7.316 -8.480 8.699 1.00 0.00 C ATOM 701 C GLY A 49 8.240 -8.330 7.507 1.00 0.00 C ATOM 702 O GLY A 49 7.971 -7.544 6.600 1.00 0.00 O ATOM 0 H GLY A 49 6.619 -6.544 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.910 -8.517 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.785 -9.429 8.626 1.00 0.00 H new ATOM 706 N ALA A 50 9.335 -9.085 7.509 1.00 0.00 N ATOM 707 CA ALA A 50 10.302 -9.032 6.420 1.00 0.00 C ATOM 708 C ALA A 50 9.966 -10.052 5.338 1.00 0.00 C ATOM 709 O ALA A 50 10.461 -9.966 4.215 1.00 0.00 O ATOM 710 CB ALA A 50 11.708 -9.266 6.951 1.00 0.00 C ATOM 0 H ALA A 50 9.574 -9.740 8.253 1.00 0.00 H new ATOM 0 HA ALA A 50 10.255 -8.039 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.420 -9.224 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.954 -8.496 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.759 -10.246 7.425 1.00 0.00 H new ATOM 716 N ASP A 51 9.121 -11.018 5.684 1.00 0.00 N ATOM 717 CA ASP A 51 8.719 -12.055 4.741 1.00 0.00 C ATOM 718 C ASP A 51 7.549 -11.586 3.883 1.00 0.00 C ATOM 719 O ASP A 51 6.406 -11.551 4.340 1.00 0.00 O ATOM 720 CB ASP A 51 8.340 -13.334 5.489 1.00 0.00 C ATOM 721 CG ASP A 51 8.596 -14.583 4.669 1.00 0.00 C ATOM 722 OD1 ASP A 51 9.743 -14.767 4.212 1.00 0.00 O ATOM 723 OD2 ASP A 51 7.649 -15.376 4.482 1.00 0.00 O ATOM 0 H ASP A 51 8.702 -11.104 6.610 1.00 0.00 H new ATOM 0 HA ASP A 51 9.565 -12.264 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.908 -13.390 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.286 -13.292 5.762 1.00 0.00 H new ATOM 728 N TYR A 52 7.842 -11.226 2.639 1.00 0.00 N ATOM 729 CA TYR A 52 6.814 -10.754 1.718 1.00 0.00 C ATOM 730 C TYR A 52 5.680 -11.770 1.601 1.00 0.00 C ATOM 731 O TYR A 52 4.542 -11.412 1.302 1.00 0.00 O ATOM 732 CB TYR A 52 7.419 -10.489 0.338 1.00 0.00 C ATOM 733 CG TYR A 52 6.611 -9.525 -0.501 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.420 -9.922 -1.097 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.038 -8.218 -0.699 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.679 -9.045 -1.865 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.303 -7.335 -1.465 1.00 0.00 C ATOM 738 CZ TYR A 52 5.124 -7.753 -2.047 1.00 0.00 C ATOM 739 OH TYR A 52 4.388 -6.876 -2.811 1.00 0.00 O ATOM 0 H TYR A 52 8.782 -11.252 2.245 1.00 0.00 H new ATOM 0 HA TYR A 52 6.406 -9.824 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.427 -10.093 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.511 -11.434 -0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.068 -10.933 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.961 -7.887 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.755 -9.370 -2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.649 -6.322 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 52 3.837 -7.379 -3.447 1.00 0.00 H new ATOM 749 N GLN A 53 6.003 -13.036 1.842 1.00 0.00 N ATOM 750 CA GLN A 53 5.012 -14.104 1.764 1.00 0.00 C ATOM 751 C GLN A 53 3.989 -13.980 2.889 1.00 0.00 C ATOM 752 O GLN A 53 2.877 -14.501 2.790 1.00 0.00 O ATOM 753 CB GLN A 53 5.697 -15.470 1.830 1.00 0.00 C ATOM 754 CG GLN A 53 6.534 -15.790 0.601 1.00 0.00 C ATOM 755 CD GLN A 53 5.714 -15.815 -0.673 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.395 -14.637 -1.196 1.00 0.00 O flip ATOM 757 NE2 GLN A 53 5.372 -16.882 -1.183 1.00 0.00 N flip ATOM 0 H GLN A 53 6.941 -13.348 2.093 1.00 0.00 H new ATOM 0 HA GLN A 53 4.490 -14.013 0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.335 -15.505 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.938 -16.242 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.327 -15.049 0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.017 -16.758 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.639 -17.765 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.821 -16.884 -2.042 1.00 0.00 H new ATOM 766 N HIS A 54 4.372 -13.288 3.957 1.00 0.00 N ATOM 767 CA HIS A 54 3.488 -13.097 5.101 1.00 0.00 C ATOM 768 C HIS A 54 2.466 -11.998 4.820 1.00 0.00 C ATOM 769 O HIS A 54 1.363 -12.008 5.366 1.00 0.00 O ATOM 770 CB HIS A 54 4.301 -12.745 6.347 1.00 0.00 C ATOM 771 CG HIS A 54 4.730 -13.942 7.139 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.200 -13.859 8.433 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.757 -15.255 6.814 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.499 -15.070 8.869 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.239 -15.935 7.905 1.00 0.00 N ATOM 0 H HIS A 54 5.288 -12.850 4.054 1.00 0.00 H new ATOM 0 HA HIS A 54 2.954 -14.031 5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.185 -12.182 6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.707 -12.091 6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.455 -15.688 5.872 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.889 -15.311 9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.374 -16.944 7.962 1.00 0.00 H new ATOM 784 N PHE A 55 2.841 -11.053 3.965 1.00 0.00 N ATOM 785 CA PHE A 55 1.958 -9.948 3.612 1.00 0.00 C ATOM 786 C PHE A 55 0.884 -10.402 2.627 1.00 0.00 C ATOM 787 O PHE A 55 -0.284 -10.035 2.756 1.00 0.00 O ATOM 788 CB PHE A 55 2.765 -8.795 3.010 1.00 0.00 C ATOM 789 CG PHE A 55 2.060 -8.096 1.883 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.947 -7.307 2.128 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.511 -8.225 0.580 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.296 -6.663 1.093 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.864 -7.583 -0.460 1.00 0.00 C ATOM 794 CZ PHE A 55 0.756 -6.800 -0.203 1.00 0.00 C ATOM 0 H PHE A 55 3.750 -11.030 3.504 1.00 0.00 H new ATOM 0 HA PHE A 55 1.467 -9.603 4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.989 -8.071 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.719 -9.179 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.585 -7.194 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.378 -8.834 0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.572 -6.053 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.225 -7.694 -1.472 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.250 -6.296 -1.013 1.00 0.00 H new ATOM 804 N ILE A 56 1.290 -11.198 1.645 1.00 0.00 N ATOM 805 CA ILE A 56 0.364 -11.703 0.640 1.00 0.00 C ATOM 806 C ILE A 56 -0.633 -12.682 1.251 1.00 0.00 C ATOM 807 O ILE A 56 -1.677 -12.966 0.665 1.00 0.00 O ATOM 808 CB ILE A 56 1.110 -12.400 -0.514 1.00 0.00 C ATOM 809 CG1 ILE A 56 2.054 -11.417 -1.208 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.119 -12.984 -1.509 1.00 0.00 C ATOM 811 CD1 ILE A 56 3.028 -12.081 -2.156 1.00 0.00 C ATOM 0 H ILE A 56 2.254 -11.507 1.524 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.174 -10.840 0.246 1.00 0.00 H new ATOM 0 HB ILE A 56 1.705 -13.215 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.463 -10.687 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.614 -10.867 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.661 -13.473 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.516 -13.713 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.500 -12.185 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.666 -11.324 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.645 -12.791 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.476 -12.607 -2.935 1.00 0.00 H new ATOM 823 N GLN A 57 -0.302 -13.192 2.433 1.00 0.00 N ATOM 824 CA GLN A 57 -1.169 -14.139 3.124 1.00 0.00 C ATOM 825 C GLN A 57 -2.248 -13.410 3.920 1.00 0.00 C ATOM 826 O GLN A 57 -3.058 -14.035 4.601 1.00 0.00 O ATOM 827 CB GLN A 57 -0.346 -15.029 4.057 1.00 0.00 C ATOM 828 CG GLN A 57 0.270 -16.234 3.363 1.00 0.00 C ATOM 829 CD GLN A 57 -0.686 -16.900 2.393 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.539 -17.693 2.792 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.548 -16.580 1.111 1.00 0.00 N ATOM 0 H GLN A 57 0.559 -12.966 2.931 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.655 -14.762 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.449 -14.433 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.983 -15.375 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.166 -15.921 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.584 -16.959 4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.173 -15.918 0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.163 -16.997 0.412 1.00 0.00 H new ATOM 840 N GLN A 58 -2.249 -12.084 3.826 1.00 0.00 N ATOM 841 CA GLN A 58 -3.228 -11.270 4.537 1.00 0.00 C ATOM 842 C GLN A 58 -4.247 -10.675 3.571 1.00 0.00 C ATOM 843 O GLN A 58 -5.402 -10.448 3.933 1.00 0.00 O ATOM 844 CB GLN A 58 -2.527 -10.152 5.310 1.00 0.00 C ATOM 845 CG GLN A 58 -1.167 -10.552 5.861 1.00 0.00 C ATOM 846 CD GLN A 58 -1.262 -11.211 7.223 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.223 -10.999 7.963 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.261 -12.016 7.561 1.00 0.00 N ATOM 0 H GLN A 58 -1.584 -11.551 3.265 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.756 -11.914 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.405 -9.290 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.166 -9.837 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.683 -11.236 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.533 -9.668 5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.516 -12.163 6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.269 -12.488 8.465 1.00 0.00 H new ATOM 857 N CYS A 59 -3.812 -10.425 2.341 1.00 0.00 N ATOM 858 CA CYS A 59 -4.686 -9.854 1.321 1.00 0.00 C ATOM 859 C CYS A 59 -5.634 -10.912 0.765 1.00 0.00 C ATOM 860 O CYS A 59 -5.202 -11.885 0.145 1.00 0.00 O ATOM 861 CB CYS A 59 -3.857 -9.249 0.189 1.00 0.00 C ATOM 862 SG CYS A 59 -2.668 -7.999 0.731 1.00 0.00 S ATOM 0 H CYS A 59 -2.860 -10.608 2.025 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.280 -9.067 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.320 -10.049 -0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.531 -8.801 -0.541 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.488 -8.294 0.271 1.00 0.00 H new ATOM 868 N THR A 60 -6.930 -10.717 0.993 1.00 0.00 N ATOM 869 CA THR A 60 -7.940 -11.655 0.517 1.00 0.00 C ATOM 870 C THR A 60 -9.060 -10.929 -0.220 1.00 0.00 C ATOM 871 O THR A 60 -9.113 -9.699 -0.231 1.00 0.00 O ATOM 872 CB THR A 60 -8.544 -12.466 1.678 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.449 -11.648 2.427 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.452 -12.994 2.596 1.00 0.00 C ATOM 0 H THR A 60 -7.305 -9.918 1.504 1.00 0.00 H new ATOM 0 HA THR A 60 -7.440 -12.337 -0.170 1.00 0.00 H new ATOM 0 HB THR A 60 -9.084 -13.314 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.830 -12.171 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.903 -13.564 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.781 -13.640 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.888 -12.158 3.009 1.00 0.00 H new ATOM 882 N ASP A 61 -9.953 -11.698 -0.832 1.00 0.00 N ATOM 883 CA ASP A 61 -11.074 -11.128 -1.570 1.00 0.00 C ATOM 884 C ASP A 61 -12.147 -10.613 -0.615 1.00 0.00 C ATOM 885 O ASP A 61 -13.197 -10.136 -1.045 1.00 0.00 O ATOM 886 CB ASP A 61 -11.674 -12.171 -2.515 1.00 0.00 C ATOM 887 CG ASP A 61 -12.037 -13.459 -1.800 1.00 0.00 C ATOM 888 OD1 ASP A 61 -11.179 -13.994 -1.068 1.00 0.00 O ATOM 889 OD2 ASP A 61 -13.181 -13.929 -1.974 1.00 0.00 O ATOM 0 H ASP A 61 -9.923 -12.718 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.701 -10.289 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.565 -11.758 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.962 -12.389 -3.311 1.00 0.00 H new ATOM 894 N ASP A 62 -11.875 -10.713 0.681 1.00 0.00 N ATOM 895 CA ASP A 62 -12.817 -10.257 1.697 1.00 0.00 C ATOM 896 C ASP A 62 -12.193 -9.170 2.567 1.00 0.00 C ATOM 897 O ASP A 62 -12.656 -8.908 3.677 1.00 0.00 O ATOM 898 CB ASP A 62 -13.267 -11.430 2.569 1.00 0.00 C ATOM 899 CG ASP A 62 -14.269 -11.013 3.628 1.00 0.00 C ATOM 900 OD1 ASP A 62 -15.453 -10.820 3.281 1.00 0.00 O ATOM 901 OD2 ASP A 62 -13.869 -10.880 4.804 1.00 0.00 O ATOM 0 H ASP A 62 -11.010 -11.106 1.053 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.686 -9.838 1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.710 -12.200 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.397 -11.875 3.051 1.00 0.00 H new ATOM 906 N VAL A 63 -11.140 -8.541 2.055 1.00 0.00 N ATOM 907 CA VAL A 63 -10.453 -7.483 2.786 1.00 0.00 C ATOM 908 C VAL A 63 -9.711 -6.550 1.833 1.00 0.00 C ATOM 909 O VAL A 63 -9.312 -6.953 0.741 1.00 0.00 O ATOM 910 CB VAL A 63 -9.450 -8.061 3.803 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.393 -8.895 3.095 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.809 -6.946 4.612 1.00 0.00 C ATOM 0 H VAL A 63 -10.744 -8.746 1.137 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.218 -6.921 3.321 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.990 -8.711 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.693 -9.295 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.873 -9.718 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.854 -8.271 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.104 -7.373 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.281 -6.267 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.581 -6.397 5.150 1.00 0.00 H new ATOM 922 N ARG A 64 -9.531 -5.304 2.256 1.00 0.00 N ATOM 923 CA ARG A 64 -8.839 -4.313 1.441 1.00 0.00 C ATOM 924 C ARG A 64 -8.029 -3.359 2.314 1.00 0.00 C ATOM 925 O ARG A 64 -8.512 -2.881 3.341 1.00 0.00 O ATOM 926 CB ARG A 64 -9.842 -3.523 0.599 1.00 0.00 C ATOM 927 CG ARG A 64 -10.780 -2.656 1.423 1.00 0.00 C ATOM 928 CD ARG A 64 -11.941 -3.466 1.980 1.00 0.00 C ATOM 929 NE ARG A 64 -12.594 -2.786 3.096 1.00 0.00 N ATOM 930 CZ ARG A 64 -12.002 -2.546 4.260 1.00 0.00 C ATOM 931 NH1 ARG A 64 -10.748 -2.928 4.460 1.00 0.00 N ATOM 932 NH2 ARG A 64 -12.664 -1.924 5.227 1.00 0.00 N ATOM 0 H ARG A 64 -9.855 -4.956 3.159 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.154 -4.841 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.297 -2.890 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.433 -4.220 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.228 -2.198 2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.164 -1.844 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.669 -3.648 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.579 -4.440 2.310 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.559 -2.478 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.236 -3.407 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.295 -2.743 5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.629 -1.630 5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.208 -1.740 6.121 1.00 0.00 H new ATOM 946 N LEU A 65 -6.796 -3.089 1.901 1.00 0.00 N ATOM 947 CA LEU A 65 -5.919 -2.193 2.646 1.00 0.00 C ATOM 948 C LEU A 65 -4.646 -1.900 1.859 1.00 0.00 C ATOM 949 O LEU A 65 -4.345 -2.569 0.870 1.00 0.00 O ATOM 950 CB LEU A 65 -5.565 -2.804 4.003 1.00 0.00 C ATOM 951 CG LEU A 65 -5.026 -4.234 3.948 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.104 -5.193 3.468 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.804 -4.308 3.043 1.00 0.00 C ATOM 0 H LEU A 65 -6.381 -3.478 1.054 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.450 -1.255 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.822 -2.170 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.454 -2.791 4.633 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.728 -4.529 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.702 -6.206 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.951 -5.161 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.433 -4.901 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.433 -5.333 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.078 -3.994 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.025 -3.651 3.429 1.00 0.00 H new ATOM 965 N PHE A 66 -3.901 -0.893 2.305 1.00 0.00 N ATOM 966 CA PHE A 66 -2.660 -0.510 1.642 1.00 0.00 C ATOM 967 C PHE A 66 -1.506 -1.405 2.086 1.00 0.00 C ATOM 968 O PHE A 66 -1.553 -2.009 3.157 1.00 0.00 O ATOM 969 CB PHE A 66 -2.328 0.955 1.942 1.00 0.00 C ATOM 970 CG PHE A 66 -3.497 1.882 1.766 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.463 1.993 2.752 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.628 2.641 0.615 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.540 2.846 2.593 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.701 3.495 0.449 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.659 3.599 1.440 1.00 0.00 C ATOM 0 H PHE A 66 -4.135 -0.328 3.122 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.799 -0.633 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.962 1.034 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.517 1.277 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.374 1.407 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.882 2.564 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.287 2.924 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.791 4.081 -0.454 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.498 4.267 1.314 1.00 0.00 H new ATOM 985 N ALA A 67 -0.473 -1.485 1.253 1.00 0.00 N ATOM 986 CA ALA A 67 0.692 -2.304 1.560 1.00 0.00 C ATOM 987 C ALA A 67 1.974 -1.643 1.066 1.00 0.00 C ATOM 988 O ALA A 67 2.282 -1.675 -0.126 1.00 0.00 O ATOM 989 CB ALA A 67 0.541 -3.688 0.946 1.00 0.00 C ATOM 0 H ALA A 67 -0.420 -0.993 0.361 1.00 0.00 H new ATOM 0 HA ALA A 67 0.759 -2.403 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.419 -4.289 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.349 -4.170 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.445 -3.598 -0.136 1.00 0.00 H new ATOM 995 N PHE A 68 2.718 -1.042 1.989 1.00 0.00 N ATOM 996 CA PHE A 68 3.967 -0.371 1.646 1.00 0.00 C ATOM 997 C PHE A 68 5.150 -1.325 1.772 1.00 0.00 C ATOM 998 O PHE A 68 5.476 -1.787 2.865 1.00 0.00 O ATOM 999 CB PHE A 68 4.180 0.846 2.548 1.00 0.00 C ATOM 1000 CG PHE A 68 5.397 1.651 2.192 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.667 1.143 2.410 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.270 2.916 1.640 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.790 1.881 2.082 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.388 3.658 1.310 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.649 3.140 1.532 1.00 0.00 C ATOM 0 H PHE A 68 2.478 -1.006 2.980 1.00 0.00 H new ATOM 0 HA PHE A 68 3.900 -0.040 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.301 1.488 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.265 0.511 3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.782 0.159 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.286 3.326 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.775 1.474 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.276 4.642 0.879 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.524 3.719 1.276 1.00 0.00 H new ATOM 1015 N VAL A 69 5.790 -1.618 0.644 1.00 0.00 N ATOM 1016 CA VAL A 69 6.937 -2.517 0.627 1.00 0.00 C ATOM 1017 C VAL A 69 8.176 -1.817 0.079 1.00 0.00 C ATOM 1018 O VAL A 69 8.082 -0.983 -0.822 1.00 0.00 O ATOM 1019 CB VAL A 69 6.654 -3.772 -0.220 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.769 -4.793 -0.052 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.308 -4.376 0.155 1.00 0.00 C ATOM 0 H VAL A 69 5.533 -1.245 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 69 7.119 -2.817 1.659 1.00 0.00 H new ATOM 0 HB VAL A 69 6.616 -3.479 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.551 -5.673 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.714 -4.356 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.842 -5.083 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.124 -5.262 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.315 -4.655 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.519 -3.645 -0.022 1.00 0.00 H new ATOM 1031 N ARG A 70 9.335 -2.162 0.628 1.00 0.00 N ATOM 1032 CA ARG A 70 10.593 -1.566 0.195 1.00 0.00 C ATOM 1033 C ARG A 70 11.335 -2.496 -0.761 1.00 0.00 C ATOM 1034 O ARG A 70 11.729 -3.601 -0.388 1.00 0.00 O ATOM 1035 CB ARG A 70 11.476 -1.252 1.405 1.00 0.00 C ATOM 1036 CG ARG A 70 12.943 -1.062 1.056 1.00 0.00 C ATOM 1037 CD ARG A 70 13.779 -0.785 2.295 1.00 0.00 C ATOM 1038 NE ARG A 70 15.210 -0.799 2.003 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.114 -1.382 2.783 1.00 0.00 C ATOM 1040 NH1 ARG A 70 15.737 -1.998 3.895 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.398 -1.352 2.450 1.00 0.00 N ATOM 0 H ARG A 70 9.430 -2.851 1.374 1.00 0.00 H new ATOM 0 HA ARG A 70 10.365 -0.639 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.106 -0.348 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.386 -2.061 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.318 -1.955 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.047 -0.235 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.503 0.185 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.557 -1.532 3.057 1.00 0.00 H new ATOM 0 HE ARG A 70 15.533 -0.336 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.751 -2.025 4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.433 -2.445 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.692 -0.881 1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.091 -1.800 3.050 1.00 0.00 H new ATOM 1239 N PHE A 83 10.085 1.973 -3.431 1.00 0.00 N ATOM 1240 CA PHE A 83 8.903 1.597 -2.663 1.00 0.00 C ATOM 1241 C PHE A 83 7.629 1.865 -3.458 1.00 0.00 C ATOM 1242 O PHE A 83 7.664 2.507 -4.508 1.00 0.00 O ATOM 1243 CB PHE A 83 8.863 2.366 -1.341 1.00 0.00 C ATOM 1244 CG PHE A 83 10.217 2.562 -0.720 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.077 3.538 -1.196 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.630 1.770 0.339 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.323 3.722 -0.627 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.875 1.949 0.912 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.723 2.926 0.428 1.00 0.00 C ATOM 0 HA PHE A 83 8.961 0.529 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.405 3.341 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.224 1.832 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.770 4.163 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.972 1.004 0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.983 4.488 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.185 1.325 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.697 3.067 0.874 1.00 0.00 H new ATOM 1259 N ALA A 84 6.506 1.369 -2.951 1.00 0.00 N ATOM 1260 CA ALA A 84 5.220 1.556 -3.612 1.00 0.00 C ATOM 1261 C ALA A 84 4.068 1.163 -2.693 1.00 0.00 C ATOM 1262 O ALA A 84 4.109 0.119 -2.042 1.00 0.00 O ATOM 1263 CB ALA A 84 5.168 0.750 -4.901 1.00 0.00 C ATOM 0 H ALA A 84 6.460 0.834 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 84 5.113 2.614 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.202 0.899 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.963 1.081 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.301 -0.308 -4.674 1.00 0.00 H new ATOM 1269 N LEU A 85 3.043 2.006 -2.645 1.00 0.00 N ATOM 1270 CA LEU A 85 1.878 1.747 -1.805 1.00 0.00 C ATOM 1271 C LEU A 85 0.908 0.797 -2.498 1.00 0.00 C ATOM 1272 O LEU A 85 0.033 1.226 -3.251 1.00 0.00 O ATOM 1273 CB LEU A 85 1.169 3.058 -1.462 1.00 0.00 C ATOM 1274 CG LEU A 85 0.364 3.038 -0.163 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.273 2.759 1.024 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.373 4.355 0.027 1.00 0.00 C ATOM 0 H LEU A 85 2.994 2.875 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 85 2.223 1.277 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.915 3.850 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.500 3.317 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.373 2.237 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.682 2.749 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.756 1.791 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.033 3.537 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.941 4.323 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.347 5.172 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.054 4.515 -0.809 1.00 0.00 H new ATOM 1288 N ILE A 86 1.069 -0.497 -2.240 1.00 0.00 N ATOM 1289 CA ILE A 86 0.207 -1.508 -2.839 1.00 0.00 C ATOM 1290 C ILE A 86 -1.176 -1.500 -2.197 1.00 0.00 C ATOM 1291 O ILE A 86 -1.375 -2.055 -1.115 1.00 0.00 O ATOM 1292 CB ILE A 86 0.814 -2.917 -2.706 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.032 -3.060 -3.622 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.228 -3.976 -3.031 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.070 -4.028 -3.100 1.00 0.00 C ATOM 0 H ILE A 86 1.788 -0.869 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 86 0.116 -1.259 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 86 1.139 -3.061 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.700 -3.392 -4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.494 -2.082 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.217 -4.966 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.067 -3.885 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.582 -3.837 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.904 -4.079 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.431 -3.687 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.624 -5.017 -2.994 1.00 0.00 H new ATOM 1307 N THR A 87 -2.133 -0.871 -2.872 1.00 0.00 N ATOM 1308 CA THR A 87 -3.499 -0.791 -2.369 1.00 0.00 C ATOM 1309 C THR A 87 -4.294 -2.037 -2.740 1.00 0.00 C ATOM 1310 O THR A 87 -4.776 -2.165 -3.865 1.00 0.00 O ATOM 1311 CB THR A 87 -4.227 0.451 -2.914 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.674 1.638 -2.333 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.716 0.380 -2.615 1.00 0.00 C ATOM 0 H THR A 87 -1.987 -0.409 -3.770 1.00 0.00 H new ATOM 0 HA THR A 87 -3.433 -0.715 -1.284 1.00 0.00 H new ATOM 0 HB THR A 87 -4.091 0.479 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.896 1.669 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.209 1.268 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.139 -0.508 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.869 0.329 -1.537 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.429 -2.952 -1.787 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.168 -4.189 -2.015 1.00 0.00 C ATOM 1323 C TRP A 88 -6.663 -3.978 -1.798 1.00 0.00 C ATOM 1324 O TRP A 88 -7.073 -3.303 -0.853 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.657 -5.291 -1.086 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.523 -6.514 -1.082 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.329 -6.945 -0.068 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.667 -7.465 -2.144 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.966 -8.107 -0.435 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.577 -8.446 -1.704 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.117 -7.582 -3.423 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -6.947 -9.528 -2.498 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.485 -8.656 -4.211 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.393 -9.618 -3.747 1.00 0.00 C ATOM 0 H TRP A 88 -4.037 -2.861 -0.850 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.009 -4.492 -3.050 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.647 -5.571 -1.387 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.590 -4.899 -0.071 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.449 -6.447 0.883 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.622 -8.632 0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.417 -6.846 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.646 -10.270 -2.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.066 -8.756 -5.201 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.661 -10.446 -4.387 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.471 -4.557 -2.679 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.921 -4.433 -2.582 1.00 0.00 C ATOM 1347 C ILE A 89 -9.615 -5.702 -3.064 1.00 0.00 C ATOM 1348 O ILE A 89 -9.774 -5.916 -4.265 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.439 -3.235 -3.400 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.730 -1.950 -2.968 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.945 -3.095 -3.239 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.878 -0.816 -3.959 1.00 0.00 C ATOM 0 H ILE A 89 -7.147 -5.117 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.154 -4.272 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.221 -3.412 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.126 -1.633 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.670 -2.160 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.296 -2.244 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.435 -4.003 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.185 -2.937 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.351 0.063 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.456 -1.114 -4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.934 -0.579 -4.085 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.028 -6.539 -2.118 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.703 -7.776 -2.466 1.00 0.00 C ATOM 1366 C GLY A 90 -11.552 -7.643 -3.714 1.00 0.00 C ATOM 1367 O GLY A 90 -12.452 -6.806 -3.774 1.00 0.00 O ATOM 0 H GLY A 90 -9.908 -6.383 -1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.962 -8.561 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.333 -8.089 -1.633 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.264 -8.468 -4.715 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.006 -8.437 -5.970 1.00 0.00 C ATOM 1373 C GLU A 91 -13.456 -8.861 -5.754 1.00 0.00 C ATOM 1374 O GLU A 91 -14.262 -8.849 -6.685 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.344 -9.349 -7.003 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.195 -10.788 -6.540 1.00 0.00 C ATOM 1377 CD GLU A 91 -12.370 -11.657 -6.947 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -13.489 -11.413 -6.452 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -12.168 -12.581 -7.763 1.00 0.00 O ATOM 0 H GLU A 91 -10.522 -9.167 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.997 -7.413 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.932 -9.331 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.359 -8.951 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.278 -11.206 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.092 -10.808 -5.455 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.779 -9.236 -4.522 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.132 -9.664 -4.182 1.00 0.00 C ATOM 1388 C ASP A 92 -15.832 -8.620 -3.319 1.00 0.00 C ATOM 1389 O ASP A 92 -17.061 -8.568 -3.265 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.096 -11.008 -3.453 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.474 -11.619 -3.299 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.348 -11.335 -4.145 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.681 -12.382 -2.331 1.00 0.00 O ATOM 0 H ASP A 92 -13.123 -9.253 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.695 -9.778 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.455 -11.698 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.650 -10.872 -2.468 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.041 -7.792 -2.644 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.585 -6.749 -1.781 1.00 0.00 C ATOM 1400 C VAL A 93 -16.579 -5.875 -2.538 1.00 0.00 C ATOM 1401 O VAL A 93 -16.464 -5.690 -3.749 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.468 -5.858 -1.206 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.441 -6.700 -0.466 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.808 -5.049 -2.313 1.00 0.00 C ATOM 0 H VAL A 93 -14.022 -7.823 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.097 -7.251 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.913 -5.162 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.660 -6.053 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.927 -7.230 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.999 -7.421 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.021 -4.425 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.376 -5.726 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.553 -4.416 -2.794 1.00 0.00 H new ATOM 1414 N SER A 94 -17.557 -5.338 -1.814 1.00 0.00 N ATOM 1415 CA SER A 94 -18.574 -4.484 -2.416 1.00 0.00 C ATOM 1416 C SER A 94 -17.936 -3.274 -3.093 1.00 0.00 C ATOM 1417 O SER A 94 -17.093 -2.595 -2.510 1.00 0.00 O ATOM 1418 CB SER A 94 -19.575 -4.021 -1.356 1.00 0.00 C ATOM 1419 OG SER A 94 -20.344 -5.109 -0.872 1.00 0.00 O ATOM 0 H SER A 94 -17.666 -5.480 -0.810 1.00 0.00 H new ATOM 0 HA SER A 94 -19.101 -5.066 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.043 -3.551 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.235 -3.265 -1.780 1.00 0.00 H new ATOM 0 HG SER A 94 -20.975 -4.788 -0.195 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.348 -3.010 -4.329 1.00 0.00 N ATOM 1426 CA GLY A 95 -17.808 -1.882 -5.066 1.00 0.00 C ATOM 1427 C GLY A 95 -17.518 -0.692 -4.173 1.00 0.00 C ATOM 1428 O GLY A 95 -16.403 -0.173 -4.161 1.00 0.00 O ATOM 0 H GLY A 95 -19.046 -3.557 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -16.891 -2.187 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.515 -1.587 -5.842 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.526 -0.256 -3.425 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.375 0.883 -2.525 1.00 0.00 C ATOM 1434 C LEU A 96 -17.015 0.854 -1.835 1.00 0.00 C ATOM 1435 O LEU A 96 -16.180 1.732 -2.051 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.492 0.885 -1.479 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.839 2.258 -0.906 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -21.272 2.279 -0.398 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -18.872 2.629 0.208 1.00 0.00 C ATOM 0 H LEU A 96 -19.457 -0.674 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.442 1.795 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.389 0.458 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.202 0.229 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.747 2.996 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.500 3.265 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -21.953 2.057 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.392 1.530 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.133 3.610 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.933 1.887 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.856 2.656 -0.186 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.802 -0.162 -1.005 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.543 -0.304 -0.282 1.00 0.00 C ATOM 1453 C GLN A 97 -14.362 0.090 -1.162 1.00 0.00 C ATOM 1454 O GLN A 97 -13.455 0.796 -0.720 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.372 -1.744 0.207 1.00 0.00 C ATOM 1456 CG GLN A 97 -16.031 -2.013 1.549 1.00 0.00 C ATOM 1457 CD GLN A 97 -15.386 -1.238 2.682 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -14.629 -0.296 2.452 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -15.686 -1.631 3.914 1.00 0.00 N ATOM 0 H GLN A 97 -17.483 -0.898 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.570 0.364 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.790 -2.423 -0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.308 -1.969 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -17.087 -1.751 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.979 -3.080 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.319 -2.418 4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.284 -1.146 4.716 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.379 -0.369 -2.409 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.308 -0.064 -3.350 1.00 0.00 C ATOM 1470 C ARG A 98 -13.324 1.412 -3.733 1.00 0.00 C ATOM 1471 O ARG A 98 -12.275 2.030 -3.906 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.443 -0.930 -4.606 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.386 -0.641 -5.659 1.00 0.00 C ATOM 1474 CD ARG A 98 -12.824 0.472 -6.597 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.000 0.530 -7.802 1.00 0.00 N ATOM 1476 CZ ARG A 98 -12.414 1.052 -8.951 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.635 1.560 -9.051 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -11.606 1.067 -10.003 1.00 0.00 N ATOM 0 H ARG A 98 -15.123 -0.953 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.357 -0.284 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.383 -1.980 -4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.430 -0.773 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.452 -0.361 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.187 -1.545 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.866 0.320 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.771 1.428 -6.075 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.055 0.149 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.259 1.551 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.950 1.960 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.666 0.677 -9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.925 1.468 -10.885 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.523 1.971 -3.864 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.676 3.375 -4.225 1.00 0.00 C ATOM 1494 C ALA A 99 -14.238 4.286 -3.082 1.00 0.00 C ATOM 1495 O ALA A 99 -13.987 5.475 -3.283 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.118 3.667 -4.611 1.00 0.00 C ATOM 0 H ALA A 99 -15.402 1.473 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.034 3.576 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.217 4.719 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.399 3.048 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.773 3.443 -3.769 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.148 3.722 -1.882 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.740 4.482 -0.707 1.00 0.00 C ATOM 1504 C LYS A 100 -12.246 4.323 -0.448 1.00 0.00 C ATOM 1505 O LYS A 100 -11.555 5.289 -0.121 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.533 4.028 0.520 1.00 0.00 C ATOM 1507 CG LYS A 100 -16.028 4.270 0.403 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.380 5.725 0.658 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.466 6.514 -0.640 1.00 0.00 C ATOM 1510 NZ LYS A 100 -17.848 6.522 -1.194 1.00 0.00 N ATOM 0 H LYS A 100 -14.353 2.740 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.947 5.535 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.357 2.965 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.157 4.551 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.367 3.982 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.557 3.637 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.333 5.783 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.629 6.173 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.139 7.539 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.784 6.083 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.864 7.070 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.151 5.546 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.495 6.956 -0.506 1.00 0.00 H new ATOM 1524 N THR A 101 -11.751 3.099 -0.598 1.00 0.00 N ATOM 1525 CA THR A 101 -10.339 2.812 -0.381 1.00 0.00 C ATOM 1526 C THR A 101 -9.456 3.766 -1.179 1.00 0.00 C ATOM 1527 O THR A 101 -8.406 4.198 -0.705 1.00 0.00 O ATOM 1528 CB THR A 101 -9.993 1.363 -0.769 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.048 0.483 -0.368 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.686 0.926 -0.123 1.00 0.00 C ATOM 0 H THR A 101 -12.308 2.289 -0.869 1.00 0.00 H new ATOM 0 HA THR A 101 -10.149 2.949 0.683 1.00 0.00 H new ATOM 0 HB THR A 101 -9.876 1.319 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.749 0.480 -1.052 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.463 -0.101 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.880 1.580 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.778 0.986 0.961 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.889 4.089 -2.393 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.125 4.990 -3.238 1.00 0.00 C ATOM 1540 C GLY A 102 -9.145 6.418 -2.729 1.00 0.00 C ATOM 1541 O GLY A 102 -8.145 7.130 -2.816 1.00 0.00 O ATOM 0 H GLY A 102 -10.755 3.744 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.094 4.642 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.528 4.963 -4.251 1.00 0.00 H new ATOM 1545 N THR A 103 -10.288 6.839 -2.197 1.00 0.00 N ATOM 1546 CA THR A 103 -10.436 8.192 -1.675 1.00 0.00 C ATOM 1547 C THR A 103 -9.694 8.354 -0.354 1.00 0.00 C ATOM 1548 O THR A 103 -9.129 9.412 -0.073 1.00 0.00 O ATOM 1549 CB THR A 103 -11.917 8.556 -1.468 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.627 8.446 -2.707 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.056 9.969 -0.923 1.00 0.00 C ATOM 0 H THR A 103 -11.125 6.262 -2.116 1.00 0.00 H new ATOM 0 HA THR A 103 -10.006 8.866 -2.416 1.00 0.00 H new ATOM 0 HB THR A 103 -12.341 7.860 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.006 7.546 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.111 10.204 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.540 10.042 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.616 10.675 -1.627 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.700 7.301 0.457 1.00 0.00 N ATOM 1560 CA ASP A 104 -9.027 7.328 1.750 1.00 0.00 C ATOM 1561 C ASP A 104 -7.512 7.268 1.575 1.00 0.00 C ATOM 1562 O ASP A 104 -6.761 7.345 2.547 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.498 6.160 2.618 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.995 5.940 2.529 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.738 6.940 2.432 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.425 4.767 2.555 1.00 0.00 O ATOM 0 H ASP A 104 -10.164 6.418 0.241 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.281 8.265 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.981 5.251 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.222 6.348 3.656 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.071 7.131 0.329 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.647 7.062 0.025 1.00 0.00 C ATOM 1573 C LYS A 105 -4.964 8.396 0.310 1.00 0.00 C ATOM 1574 O LYS A 105 -3.799 8.438 0.707 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.436 6.671 -1.439 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.004 6.850 -1.915 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.948 7.201 -3.393 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.791 8.426 -3.707 1.00 0.00 C ATOM 1579 NZ LYS A 105 -4.227 9.213 -4.839 1.00 0.00 N ATOM 0 H LYS A 105 -7.680 7.066 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.201 6.302 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.728 5.629 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.096 7.271 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.522 7.637 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.443 5.933 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.914 7.385 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.300 6.355 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.807 8.115 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.856 9.059 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.831 10.040 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.267 9.532 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.189 8.617 -5.691 1.00 0.00 H new ATOM 1593 N THR A 106 -5.697 9.486 0.106 1.00 0.00 N ATOM 1594 CA THR A 106 -5.163 10.822 0.342 1.00 0.00 C ATOM 1595 C THR A 106 -4.559 10.934 1.736 1.00 0.00 C ATOM 1596 O THR A 106 -3.694 11.774 1.983 1.00 0.00 O ATOM 1597 CB THR A 106 -6.251 11.899 0.177 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.861 11.785 -1.114 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.663 13.293 0.344 1.00 0.00 C ATOM 0 H THR A 106 -6.663 9.470 -0.222 1.00 0.00 H new ATOM 0 HA THR A 106 -4.384 10.987 -0.402 1.00 0.00 H new ATOM 0 HB THR A 106 -7.004 11.745 0.950 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.553 12.472 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.450 14.037 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.225 13.386 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.892 13.455 -0.409 1.00 0.00 H new ATOM 1607 N LEU A 107 -5.020 10.082 2.646 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.524 10.086 4.018 1.00 0.00 C ATOM 1609 C LEU A 107 -3.231 9.287 4.131 1.00 0.00 C ATOM 1610 O LEU A 107 -2.224 9.781 4.639 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.579 9.510 4.964 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.029 9.740 4.536 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -7.986 9.331 5.644 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.246 11.196 4.152 1.00 0.00 C ATOM 0 H LEU A 107 -5.736 9.380 2.458 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.317 11.118 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.411 8.437 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.435 9.946 5.953 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.232 9.120 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.012 9.502 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.849 8.274 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.784 9.923 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.283 11.342 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.024 11.835 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.587 11.456 3.324 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.265 8.046 3.654 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.096 7.176 3.701 1.00 0.00 C ATOM 1628 C VAL A 108 -0.925 7.788 2.941 1.00 0.00 C ATOM 1629 O VAL A 108 0.237 7.546 3.268 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.406 5.788 3.112 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.249 4.831 3.359 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.698 5.237 3.697 1.00 0.00 C ATOM 0 H VAL A 108 -4.090 7.621 3.231 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.826 7.065 4.751 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.536 5.892 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.487 3.855 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.347 5.221 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.083 4.730 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.901 4.255 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.599 5.148 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.521 5.912 3.463 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.238 8.586 1.925 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.213 9.236 1.117 1.00 0.00 C ATOM 1644 C LYS A 109 0.490 10.334 1.911 1.00 0.00 C ATOM 1645 O LYS A 109 1.664 10.620 1.683 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.832 9.826 -0.151 1.00 0.00 C ATOM 1647 CG LYS A 109 0.130 10.684 -0.955 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.599 11.784 -1.707 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.110 12.862 -0.763 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.106 13.943 -0.561 1.00 0.00 N ATOM 0 H LYS A 109 -2.195 8.798 1.642 1.00 0.00 H new ATOM 0 HA LYS A 109 0.525 8.484 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.194 9.013 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.699 10.427 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.869 11.127 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.674 10.058 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.072 12.230 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.436 11.356 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.029 13.290 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.360 12.414 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.492 14.658 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.762 13.539 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.114 14.388 -1.475 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.238 10.941 2.844 1.00 0.00 N ATOM 1665 CA GLU A 110 0.318 12.006 3.671 1.00 0.00 C ATOM 1666 C GLU A 110 1.649 11.581 4.283 1.00 0.00 C ATOM 1667 O GLU A 110 2.633 12.318 4.230 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.666 12.388 4.778 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.075 12.655 4.275 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.143 13.841 3.333 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.073 14.364 2.959 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -3.267 14.246 2.970 1.00 0.00 O ATOM 0 H GLU A 110 -1.212 10.714 3.046 1.00 0.00 H new ATOM 0 HA GLU A 110 0.492 12.873 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.699 11.586 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.297 13.277 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.448 11.768 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.733 12.833 5.126 1.00 0.00 H new ATOM 1679 N VAL A 111 1.672 10.386 4.866 1.00 0.00 N ATOM 1680 CA VAL A 111 2.881 9.862 5.489 1.00 0.00 C ATOM 1681 C VAL A 111 3.829 9.282 4.445 1.00 0.00 C ATOM 1682 O VAL A 111 5.046 9.445 4.538 1.00 0.00 O ATOM 1683 CB VAL A 111 2.551 8.773 6.527 1.00 0.00 C ATOM 1684 CG1 VAL A 111 1.802 7.621 5.873 1.00 0.00 C ATOM 1685 CG2 VAL A 111 3.822 8.278 7.202 1.00 0.00 C ATOM 0 H VAL A 111 0.866 9.763 4.919 1.00 0.00 H new ATOM 0 HA VAL A 111 3.366 10.698 5.992 1.00 0.00 H new ATOM 0 HB VAL A 111 1.906 9.207 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.577 6.861 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.872 7.990 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.419 7.185 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.570 7.509 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 111 4.493 7.860 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.314 9.110 7.706 1.00 0.00 H new ATOM 1695 N VAL A 112 3.264 8.606 3.450 1.00 0.00 N ATOM 1696 CA VAL A 112 4.060 8.003 2.386 1.00 0.00 C ATOM 1697 C VAL A 112 4.113 8.907 1.161 1.00 0.00 C ATOM 1698 O VAL A 112 3.184 8.932 0.355 1.00 0.00 O ATOM 1699 CB VAL A 112 3.495 6.630 1.974 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.100 6.180 0.652 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.751 5.600 3.064 1.00 0.00 C ATOM 0 H VAL A 112 2.258 8.462 3.358 1.00 0.00 H new ATOM 0 HA VAL A 112 5.068 7.870 2.779 1.00 0.00 H new ATOM 0 HB VAL A 112 2.417 6.724 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.690 5.209 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.862 6.908 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.182 6.101 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.345 4.636 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.824 5.506 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 112 3.267 5.919 3.987 1.00 0.00 H new ATOM 1711 N GLN A 113 5.208 9.649 1.027 1.00 0.00 N ATOM 1712 CA GLN A 113 5.382 10.555 -0.101 1.00 0.00 C ATOM 1713 C GLN A 113 6.669 10.241 -0.858 1.00 0.00 C ATOM 1714 O GLN A 113 6.720 10.346 -2.083 1.00 0.00 O ATOM 1715 CB GLN A 113 5.403 12.007 0.382 1.00 0.00 C ATOM 1716 CG GLN A 113 4.465 12.273 1.547 1.00 0.00 C ATOM 1717 CD GLN A 113 4.010 13.717 1.612 1.00 0.00 C ATOM 1718 OE1 GLN A 113 4.826 14.634 1.713 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.700 13.928 1.554 1.00 0.00 N ATOM 0 H GLN A 113 5.987 9.640 1.685 1.00 0.00 H new ATOM 0 HA GLN A 113 4.540 10.417 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.419 12.268 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.134 12.661 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.593 11.625 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.966 12.012 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.059 13.139 1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.334 14.879 1.593 1.00 0.00 H new ATOM 1728 N ASN A 114 7.705 9.854 -0.121 1.00 0.00 N ATOM 1729 CA ASN A 114 8.991 9.525 -0.723 1.00 0.00 C ATOM 1730 C ASN A 114 8.859 8.342 -1.677 1.00 0.00 C ATOM 1731 O ASN A 114 9.624 8.213 -2.633 1.00 0.00 O ATOM 1732 CB ASN A 114 10.020 9.205 0.364 1.00 0.00 C ATOM 1733 CG ASN A 114 10.767 10.438 0.833 1.00 0.00 C ATOM 1734 OD1 ASN A 114 10.198 11.312 1.484 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.052 10.512 0.503 1.00 0.00 N ATOM 0 H ASN A 114 7.679 9.761 0.894 1.00 0.00 H new ATOM 0 HA ASN A 114 9.330 10.391 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.516 8.744 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.733 8.475 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 114 12.607 11.318 0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.483 9.763 -0.039 1.00 0.00 H new ATOM 1742 N PHE A 115 7.882 7.481 -1.411 1.00 0.00 N ATOM 1743 CA PHE A 115 7.648 6.308 -2.247 1.00 0.00 C ATOM 1744 C PHE A 115 7.532 6.701 -3.716 1.00 0.00 C ATOM 1745 O PHE A 115 7.764 7.853 -4.082 1.00 0.00 O ATOM 1746 CB PHE A 115 6.378 5.582 -1.798 1.00 0.00 C ATOM 1747 CG PHE A 115 5.144 6.029 -2.527 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.021 7.335 -2.974 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.104 5.144 -2.765 1.00 0.00 C ATOM 1750 CE1 PHE A 115 3.886 7.750 -3.645 1.00 0.00 C ATOM 1751 CE2 PHE A 115 2.968 5.552 -3.436 1.00 0.00 C ATOM 1752 CZ PHE A 115 2.858 6.858 -3.876 1.00 0.00 C ATOM 0 H PHE A 115 7.240 7.573 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 115 8.500 5.637 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.510 4.510 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.237 5.741 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.822 8.037 -2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.183 4.123 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.804 8.771 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.166 4.851 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.970 7.180 -4.399 1.00 0.00 H new ATOM 1762 N ALA A 116 7.171 5.735 -4.554 1.00 0.00 N ATOM 1763 CA ALA A 116 7.022 5.979 -5.983 1.00 0.00 C ATOM 1764 C ALA A 116 5.563 6.232 -6.348 1.00 0.00 C ATOM 1765 O ALA A 116 5.195 7.336 -6.749 1.00 0.00 O ATOM 1766 CB ALA A 116 7.571 4.804 -6.780 1.00 0.00 C ATOM 0 H ALA A 116 6.976 4.776 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 116 7.593 6.873 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.453 5.000 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.628 4.671 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.025 3.898 -6.515 1.00 0.00 H new ATOM 1772 N LYS A 117 4.735 5.202 -6.206 1.00 0.00 N ATOM 1773 CA LYS A 117 3.316 5.311 -6.520 1.00 0.00 C ATOM 1774 C LYS A 117 2.522 4.194 -5.850 1.00 0.00 C ATOM 1775 O LYS A 117 3.094 3.207 -5.388 1.00 0.00 O ATOM 1776 CB LYS A 117 3.102 5.266 -8.035 1.00 0.00 C ATOM 1777 CG LYS A 117 1.791 4.617 -8.444 1.00 0.00 C ATOM 1778 CD LYS A 117 1.764 4.307 -9.932 1.00 0.00 C ATOM 1779 CE LYS A 117 0.394 3.815 -10.373 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.163 4.047 -11.826 1.00 0.00 N ATOM 0 H LYS A 117 5.023 4.281 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 117 2.958 6.267 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.133 6.282 -8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.927 4.721 -8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.646 3.697 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.962 5.279 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.030 5.201 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.515 3.551 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.303 2.751 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.378 4.325 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.781 3.698 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.224 5.065 -12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.884 3.540 -12.378 1.00 0.00 H new ATOM 1794 N GLU A 118 1.204 4.357 -5.802 1.00 0.00 N ATOM 1795 CA GLU A 118 0.334 3.360 -5.190 1.00 0.00 C ATOM 1796 C GLU A 118 -0.081 2.301 -6.206 1.00 0.00 C ATOM 1797 O GLU A 118 -0.533 2.623 -7.306 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.909 4.031 -4.599 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.695 4.852 -5.607 1.00 0.00 C ATOM 1800 CD GLU A 118 -3.188 4.827 -5.342 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.624 4.030 -4.484 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.919 5.603 -5.991 1.00 0.00 O ATOM 0 H GLU A 118 0.716 5.169 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 118 0.891 2.871 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.561 3.264 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.606 4.677 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.343 5.883 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.501 4.472 -6.610 1.00 0.00 H new ATOM 1809 N PHE A 119 0.074 1.036 -5.831 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.283 -0.072 -6.710 1.00 0.00 C ATOM 1811 C PHE A 119 -1.612 -0.691 -6.290 1.00 0.00 C ATOM 1812 O PHE A 119 -1.672 -1.483 -5.349 1.00 0.00 O ATOM 1813 CB PHE A 119 0.816 -1.136 -6.695 1.00 0.00 C ATOM 1814 CG PHE A 119 2.041 -0.743 -7.470 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.258 0.579 -7.826 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.978 -1.694 -7.842 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.384 0.943 -8.540 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.106 -1.336 -8.554 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.310 -0.016 -8.903 1.00 0.00 C ATOM 0 H PHE A 119 0.445 0.752 -4.924 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.388 0.318 -7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.099 -1.340 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.418 -2.064 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.539 1.333 -7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.824 -2.728 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.540 1.976 -8.814 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.828 -2.088 -8.837 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.192 0.267 -9.459 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.677 -0.326 -6.997 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.007 -0.847 -6.699 1.00 0.00 C ATOM 1831 C VAL A 120 -4.201 -2.235 -7.299 1.00 0.00 C ATOM 1832 O VAL A 120 -4.432 -2.377 -8.499 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.108 0.089 -7.234 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.485 -0.498 -6.965 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -4.979 1.472 -6.613 1.00 0.00 C ATOM 0 H VAL A 120 -2.645 0.328 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.087 -0.909 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.985 0.187 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.250 0.177 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.572 -1.465 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.622 -0.627 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.764 2.120 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.075 1.395 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.005 1.893 -6.862 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.104 -3.256 -6.453 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.271 -4.634 -6.900 1.00 0.00 C ATOM 1847 C ILE A 121 -5.504 -5.271 -6.267 1.00 0.00 C ATOM 1848 O ILE A 121 -5.852 -4.974 -5.125 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.034 -5.488 -6.561 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.759 -4.788 -7.034 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.155 -6.866 -7.193 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.494 -5.377 -6.449 1.00 0.00 C ATOM 0 H ILE A 121 -3.911 -3.155 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.396 -4.603 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.978 -5.609 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.706 -4.842 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.815 -3.732 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.274 -7.458 -6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.046 -7.364 -6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.231 -6.764 -8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.370 -4.832 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.525 -5.298 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.415 -6.426 -6.735 1.00 0.00 H new ATOM 1864 N SER A 122 -6.159 -6.151 -7.018 1.00 0.00 N ATOM 1865 CA SER A 122 -7.355 -6.829 -6.533 1.00 0.00 C ATOM 1866 C SER A 122 -7.148 -8.340 -6.504 1.00 0.00 C ATOM 1867 O SER A 122 -7.840 -9.060 -5.783 1.00 0.00 O ATOM 1868 CB SER A 122 -8.557 -6.484 -7.414 1.00 0.00 C ATOM 1869 OG SER A 122 -8.691 -7.410 -8.478 1.00 0.00 O ATOM 0 H SER A 122 -5.881 -6.411 -7.964 1.00 0.00 H new ATOM 0 HA SER A 122 -7.550 -6.486 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.465 -6.483 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.440 -5.478 -7.816 1.00 0.00 H new ATOM 0 HG SER A 122 -9.467 -7.169 -9.026 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.192 -8.815 -7.295 1.00 0.00 N ATOM 1876 CA ASP A 123 -5.892 -10.241 -7.361 1.00 0.00 C ATOM 1877 C ASP A 123 -4.500 -10.530 -6.806 1.00 0.00 C ATOM 1878 O ASP A 123 -3.519 -9.900 -7.204 1.00 0.00 O ATOM 1879 CB ASP A 123 -5.993 -10.738 -8.804 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.413 -12.192 -8.887 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.227 -12.624 -8.044 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -5.929 -12.899 -9.795 1.00 0.00 O ATOM 0 H ASP A 123 -5.611 -8.234 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.624 -10.770 -6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.711 -10.124 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.029 -10.613 -9.297 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.423 -11.485 -5.885 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.152 -11.854 -5.274 1.00 0.00 C ATOM 1889 C ARG A 124 -2.114 -12.194 -6.340 1.00 0.00 C ATOM 1890 O ARG A 124 -0.922 -11.940 -6.165 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.342 -13.047 -4.334 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.033 -12.689 -3.029 1.00 0.00 C ATOM 1893 CD ARG A 124 -3.599 -13.609 -1.899 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.385 -14.838 -1.860 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.549 -15.572 -0.766 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.985 -15.203 0.376 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.281 -16.679 -0.811 1.00 0.00 N ATOM 0 H ARG A 124 -5.225 -12.017 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 124 -2.792 -11.000 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.925 -13.813 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.368 -13.483 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.805 -11.656 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.113 -12.754 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.544 -13.857 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.697 -13.086 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.833 -15.150 -2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.423 -14.353 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -4.113 -15.769 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.718 -16.966 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.406 -17.242 0.030 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.575 -12.769 -7.446 1.00 0.00 N ATOM 1912 CA LYS A 125 -1.690 -13.144 -8.541 1.00 0.00 C ATOM 1913 C LYS A 125 -0.852 -11.951 -8.995 1.00 0.00 C ATOM 1914 O LYS A 125 0.177 -12.118 -9.649 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.502 -13.687 -9.718 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.092 -15.064 -9.466 1.00 0.00 C ATOM 1917 CD LYS A 125 -2.008 -16.122 -9.348 1.00 0.00 C ATOM 1918 CE LYS A 125 -2.307 -17.102 -8.224 1.00 0.00 C ATOM 1919 NZ LYS A 125 -1.392 -18.277 -8.255 1.00 0.00 N ATOM 0 H LYS A 125 -3.559 -12.985 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.018 -13.923 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.310 -12.991 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.863 -13.731 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.684 -15.045 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.769 -15.325 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.922 -16.663 -10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.047 -15.641 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.213 -16.594 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.339 -17.443 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.628 -18.921 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.500 -18.777 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.409 -17.954 -8.153 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.300 -10.750 -8.641 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.590 -9.532 -9.012 1.00 0.00 C ATOM 1935 C GLU A 126 0.213 -8.989 -7.833 1.00 0.00 C ATOM 1936 O GLU A 126 1.072 -8.125 -7.999 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.576 -8.470 -9.503 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.092 -8.723 -10.910 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.531 -7.451 -11.608 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -1.823 -6.430 -11.483 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -3.584 -7.476 -12.279 1.00 0.00 O ATOM 0 H GLU A 126 -2.150 -10.595 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 126 0.101 -9.777 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.422 -8.427 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.091 -7.494 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.311 -9.205 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -2.931 -9.417 -10.866 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.076 -9.504 -6.643 1.00 0.00 N ATOM 1949 CA LEU A 127 0.619 -9.071 -5.435 1.00 0.00 C ATOM 1950 C LEU A 127 2.062 -9.563 -5.431 1.00 0.00 C ATOM 1951 O LEU A 127 2.891 -9.078 -4.661 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.111 -9.585 -4.191 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.223 -8.674 -3.672 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.635 -7.443 -2.998 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.154 -8.269 -4.805 1.00 0.00 C ATOM 0 H LEU A 127 -0.785 -10.221 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 127 0.626 -7.981 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.538 -10.562 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.619 -9.732 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.802 -9.227 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.442 -6.807 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.010 -7.751 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.031 -6.889 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.939 -7.621 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.588 -7.736 -5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.603 -9.160 -5.243 1.00 0.00 H new ATOM 1967 N GLU A 128 2.355 -10.528 -6.296 1.00 0.00 N ATOM 1968 CA GLU A 128 3.698 -11.086 -6.391 1.00 0.00 C ATOM 1969 C GLU A 128 4.741 -9.978 -6.514 1.00 0.00 C ATOM 1970 O GLU A 128 4.871 -9.350 -7.563 1.00 0.00 O ATOM 1971 CB GLU A 128 3.799 -12.031 -7.592 1.00 0.00 C ATOM 1972 CG GLU A 128 2.613 -12.973 -7.726 1.00 0.00 C ATOM 1973 CD GLU A 128 2.981 -14.282 -8.396 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.513 -15.174 -7.703 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.737 -14.414 -9.613 1.00 0.00 O ATOM 0 H GLU A 128 1.680 -10.940 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 128 3.895 -11.648 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.887 -11.439 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.712 -12.620 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.203 -13.178 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.828 -12.483 -8.301 1.00 0.00 H new ATOM 1982 N GLU A 129 5.478 -9.746 -5.433 1.00 0.00 N ATOM 1983 CA GLU A 129 6.507 -8.713 -5.418 1.00 0.00 C ATOM 1984 C GLU A 129 7.227 -8.644 -6.762 1.00 0.00 C ATOM 1985 O GLU A 129 7.594 -7.565 -7.228 1.00 0.00 O ATOM 1986 CB GLU A 129 7.516 -8.982 -4.301 1.00 0.00 C ATOM 1987 CG GLU A 129 8.851 -8.284 -4.504 1.00 0.00 C ATOM 1988 CD GLU A 129 9.848 -9.141 -5.260 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.842 -9.096 -6.508 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.634 -9.856 -4.604 1.00 0.00 O ATOM 0 H GLU A 129 5.382 -10.259 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 129 6.021 -7.755 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.088 -8.660 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.685 -10.056 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.691 -7.353 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.269 -8.018 -3.533 1.00 0.00 H new ATOM 1997 N ASP A 130 7.425 -9.803 -7.381 1.00 0.00 N ATOM 1998 CA ASP A 130 8.100 -9.875 -8.672 1.00 0.00 C ATOM 1999 C ASP A 130 7.408 -8.984 -9.699 1.00 0.00 C ATOM 2000 O ASP A 130 8.059 -8.235 -10.426 1.00 0.00 O ATOM 2001 CB ASP A 130 8.134 -11.320 -9.173 1.00 0.00 C ATOM 2002 CG ASP A 130 6.804 -11.765 -9.747 1.00 0.00 C ATOM 2003 OD1 ASP A 130 6.414 -11.246 -10.813 1.00 0.00 O ATOM 2004 OD2 ASP A 130 6.151 -12.632 -9.129 1.00 0.00 O ATOM 0 H ASP A 130 7.128 -10.705 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 130 9.122 -9.519 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.907 -11.419 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.411 -11.980 -8.351 1.00 0.00 H new ATOM 2009 N PHE A 131 6.082 -9.069 -9.751 1.00 0.00 N ATOM 2010 CA PHE A 131 5.301 -8.272 -10.689 1.00 0.00 C ATOM 2011 C PHE A 131 5.390 -6.789 -10.348 1.00 0.00 C ATOM 2012 O PHE A 131 5.416 -5.936 -11.236 1.00 0.00 O ATOM 2013 CB PHE A 131 3.839 -8.723 -10.679 1.00 0.00 C ATOM 2014 CG PHE A 131 2.935 -7.842 -11.494 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.074 -7.770 -12.870 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.946 -7.088 -10.883 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.244 -6.959 -13.623 1.00 0.00 C ATOM 2018 CE2 PHE A 131 1.113 -6.277 -11.630 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.262 -6.212 -13.001 1.00 0.00 C ATOM 0 H PHE A 131 5.527 -9.682 -9.154 1.00 0.00 H new ATOM 0 HA PHE A 131 5.714 -8.422 -11.687 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.779 -9.743 -11.059 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.481 -8.745 -9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.839 -8.354 -13.361 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.825 -7.135 -9.811 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.363 -6.910 -14.695 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.346 -5.694 -11.142 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.612 -5.578 -13.586 1.00 0.00 H new ATOM 2029 N ILE A 132 5.437 -6.486 -9.055 1.00 0.00 N ATOM 2030 CA ILE A 132 5.524 -5.106 -8.596 1.00 0.00 C ATOM 2031 C ILE A 132 6.720 -4.394 -9.219 1.00 0.00 C ATOM 2032 O ILE A 132 6.588 -3.300 -9.767 1.00 0.00 O ATOM 2033 CB ILE A 132 5.636 -5.028 -7.062 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.557 -5.890 -6.406 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.527 -3.585 -6.594 1.00 0.00 C ATOM 2036 CD1 ILE A 132 3.155 -5.558 -6.867 1.00 0.00 C ATOM 0 H ILE A 132 5.416 -7.179 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 132 4.605 -4.611 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 132 6.612 -5.412 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.762 -6.939 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.614 -5.768 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.608 -3.548 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.330 -2.997 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.565 -3.175 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.442 -6.208 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.930 -4.518 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.081 -5.708 -7.944 1.00 0.00 H new ATOM 2048 N ARG A 133 7.888 -5.023 -9.131 1.00 0.00 N ATOM 2049 CA ARG A 133 9.107 -4.449 -9.686 1.00 0.00 C ATOM 2050 C ARG A 133 8.902 -4.038 -11.141 1.00 0.00 C ATOM 2051 O ARG A 133 9.069 -2.871 -11.497 1.00 0.00 O ATOM 2052 CB ARG A 133 10.259 -5.452 -9.586 1.00 0.00 C ATOM 2053 CG ARG A 133 11.061 -5.333 -8.301 1.00 0.00 C ATOM 2054 CD ARG A 133 10.359 -6.023 -7.141 1.00 0.00 C ATOM 2055 NE ARG A 133 11.172 -6.015 -5.928 1.00 0.00 N ATOM 2056 CZ ARG A 133 12.267 -6.752 -5.772 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.678 -7.549 -6.748 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.954 -6.690 -4.638 1.00 0.00 N ATOM 0 H ARG A 133 8.015 -5.929 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 133 9.356 -3.560 -9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.857 -6.462 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.927 -5.311 -10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.048 -5.773 -8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.213 -4.281 -8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.409 -5.526 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.129 -7.052 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 133 10.884 -5.411 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.154 -7.598 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.519 -8.113 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.642 -6.076 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.794 -7.256 -4.519 1.00 0.00 H new ATOM 2072 N SER A 134 8.539 -5.005 -11.978 1.00 0.00 N ATOM 2073 CA SER A 134 8.314 -4.744 -13.395 1.00 0.00 C ATOM 2074 C SER A 134 7.585 -3.419 -13.595 1.00 0.00 C ATOM 2075 O SER A 134 7.872 -2.677 -14.534 1.00 0.00 O ATOM 2076 CB SER A 134 7.508 -5.883 -14.024 1.00 0.00 C ATOM 2077 OG SER A 134 7.772 -5.988 -15.412 1.00 0.00 O ATOM 0 H SER A 134 8.395 -5.976 -11.700 1.00 0.00 H new ATOM 0 HA SER A 134 9.285 -4.682 -13.886 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.756 -6.823 -13.531 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.444 -5.711 -13.865 1.00 0.00 H new ATOM 0 HG SER A 134 7.247 -6.724 -15.790 1.00 0.00 H new ATOM 2083 N GLU A 135 6.641 -3.130 -12.705 1.00 0.00 N ATOM 2084 CA GLU A 135 5.871 -1.895 -12.784 1.00 0.00 C ATOM 2085 C GLU A 135 6.746 -0.685 -12.466 1.00 0.00 C ATOM 2086 O GLU A 135 6.923 0.203 -13.299 1.00 0.00 O ATOM 2087 CB GLU A 135 4.683 -1.946 -11.821 1.00 0.00 C ATOM 2088 CG GLU A 135 3.736 -3.104 -12.083 1.00 0.00 C ATOM 2089 CD GLU A 135 2.882 -2.891 -13.318 1.00 0.00 C ATOM 2090 OE1 GLU A 135 3.377 -3.156 -14.434 1.00 0.00 O ATOM 2091 OE2 GLU A 135 1.720 -2.459 -13.169 1.00 0.00 O ATOM 0 H GLU A 135 6.391 -3.734 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 135 5.499 -1.794 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.057 -2.018 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.128 -1.011 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.313 -4.021 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.088 -3.242 -11.217 1.00 0.00 H new