USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 914 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 96 ASN : amide:sc= 0.0235 K(o=0.061,f=-4.9!) USER MOD Set 1.2: A 99 HIS : no HE2:sc= 0.037 X(o=0.061,f=-0.38) USER MOD Set 2.1: A 6 SER OG : rot -26:sc= 0.418 USER MOD Set 2.2: A 54 MET CE :methyl -170:sc= -0.0136 (180deg=-0.123) USER MOD Single : A 7 THR OG1 : rot -61:sc= 1.1 USER MOD Single : A 8 THR OG1 : rot 54:sc= 0.305 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 87:sc= 0.605 USER MOD Single : A 20 SER OG : rot 81:sc= 0.0853 USER MOD Single : A 21 SER OG : rot 93:sc= 1.2 USER MOD Single : A 23 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 0.594 (180deg=0.288) USER MOD Single : A 42 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 43 THR OG1 : rot 150:sc= 0.199 USER MOD Single : A 44 MET CE :methyl 155:sc= -0.0234 (180deg=-1.02) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.22) USER MOD Single : A 52 ASN :FLIP amide:sc=-0.00603 F(o=-0.78,f=-0.006) USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= 0.127 (180deg=0.00214) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.313 F(o=-3.3!,f=-0.31) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.338 K(o=0.34,f=-1.6!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=-0.00086) USER MOD Single : A 71 GLN : amide:sc= -0.0456 K(o=-0.046,f=-0.86) USER MOD Single : A 74 HIS : no HD1:sc= -0.0943 X(o=-0.094,f=-0.011) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.692 USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -0.0278 (180deg=-0.156) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0769) USER MOD Single : A 92 ASN : amide:sc=-0.000459 K(o=-0.00046,f=-4.4!) USER MOD Single : A 93 THR OG1 : rot 76:sc= 2.15 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0101 F(o=-1.7!,f=-0.01) USER MOD Single : A 106 LYS NZ :NH3+ -176:sc= 0.979 (180deg=0.944) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.0717 F(o=-0.8,f=-0.072) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.182) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.07 K(o=1.1,f=-0.41) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 150:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00453) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.343 9.653 -4.870 1.00 0.00 N ATOM 86 CA SER A 6 5.075 10.218 -4.453 1.00 0.00 C ATOM 87 C SER A 6 5.125 10.686 -2.997 1.00 0.00 C ATOM 88 O SER A 6 5.114 9.879 -2.067 1.00 0.00 O ATOM 89 CB SER A 6 3.973 9.185 -4.663 1.00 0.00 C ATOM 90 OG SER A 6 4.406 7.893 -4.268 1.00 0.00 O ATOM 0 HA SER A 6 4.861 11.097 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.090 9.468 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.680 9.169 -5.713 1.00 0.00 H new ATOM 0 HG SER A 6 5.381 7.837 -4.344 1.00 0.00 H new ATOM 96 N THR A 7 5.210 11.998 -2.811 1.00 0.00 N ATOM 97 CA THR A 7 5.203 12.583 -1.480 1.00 0.00 C ATOM 98 C THR A 7 3.774 12.729 -0.958 1.00 0.00 C ATOM 99 O THR A 7 2.820 12.308 -1.615 1.00 0.00 O ATOM 100 CB THR A 7 5.893 13.962 -1.477 1.00 0.00 C ATOM 101 OG1 THR A 7 5.225 14.854 -2.382 1.00 0.00 O ATOM 102 CG2 THR A 7 7.354 13.834 -1.875 1.00 0.00 C ATOM 0 H THR A 7 5.285 12.677 -3.569 1.00 0.00 H new ATOM 0 HA THR A 7 5.756 11.910 -0.825 1.00 0.00 H new ATOM 0 HB THR A 7 5.838 14.366 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.268 14.491 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.821 14.819 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.868 13.182 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.422 13.409 -2.876 1.00 0.00 H new ATOM 110 N THR A 8 3.633 13.320 0.221 1.00 0.00 N ATOM 111 CA THR A 8 2.325 13.551 0.819 1.00 0.00 C ATOM 112 C THR A 8 1.408 14.328 -0.127 1.00 0.00 C ATOM 113 O THR A 8 0.263 13.932 -0.358 1.00 0.00 O ATOM 114 CB THR A 8 2.459 14.317 2.149 1.00 0.00 C ATOM 115 OG1 THR A 8 3.275 13.572 3.069 1.00 0.00 O ATOM 116 CG2 THR A 8 1.090 14.568 2.755 1.00 0.00 C ATOM 0 H THR A 8 4.415 13.650 0.786 1.00 0.00 H new ATOM 0 HA THR A 8 1.880 12.574 1.010 1.00 0.00 H new ATOM 0 HB THR A 8 2.935 15.277 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.133 13.358 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.202 15.110 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.489 15.159 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.595 13.615 2.943 1.00 0.00 H new ATOM 124 N GLU A 9 1.926 15.416 -0.685 1.00 0.00 N ATOM 125 CA GLU A 9 1.152 16.256 -1.588 1.00 0.00 C ATOM 126 C GLU A 9 0.688 15.459 -2.806 1.00 0.00 C ATOM 127 O GLU A 9 -0.442 15.618 -3.271 1.00 0.00 O ATOM 128 CB GLU A 9 1.970 17.476 -2.016 1.00 0.00 C ATOM 129 CG GLU A 9 1.174 18.493 -2.817 1.00 0.00 C ATOM 130 CD GLU A 9 1.908 19.807 -2.994 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.653 20.748 -2.211 1.00 0.00 O ATOM 132 OE2 GLU A 9 2.741 19.911 -3.921 1.00 0.00 O ATOM 0 H GLU A 9 2.881 15.737 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 9 0.266 16.606 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.374 17.962 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.820 17.142 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.943 18.076 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.223 18.678 -2.318 1.00 0.00 H new ATOM 139 N ASP A 10 1.554 14.585 -3.307 1.00 0.00 N ATOM 140 CA ASP A 10 1.203 13.723 -4.433 1.00 0.00 C ATOM 141 C ASP A 10 0.128 12.732 -4.021 1.00 0.00 C ATOM 142 O ASP A 10 -0.837 12.505 -4.754 1.00 0.00 O ATOM 143 CB ASP A 10 2.414 12.948 -4.958 1.00 0.00 C ATOM 144 CG ASP A 10 3.548 13.841 -5.405 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.442 14.441 -6.493 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.559 13.933 -4.680 1.00 0.00 O ATOM 0 H ASP A 10 2.502 14.454 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 10 0.834 14.370 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.774 12.278 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.102 12.323 -5.795 1.00 0.00 H new ATOM 151 N LEU A 11 0.294 12.151 -2.835 1.00 0.00 N ATOM 152 CA LEU A 11 -0.637 11.151 -2.341 1.00 0.00 C ATOM 153 C LEU A 11 -2.038 11.740 -2.228 1.00 0.00 C ATOM 154 O LEU A 11 -3.017 11.071 -2.538 1.00 0.00 O ATOM 155 CB LEU A 11 -0.168 10.577 -0.995 1.00 0.00 C ATOM 156 CG LEU A 11 -1.071 9.487 -0.412 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.075 8.265 -1.310 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.627 9.106 0.991 1.00 0.00 C ATOM 0 H LEU A 11 1.066 12.359 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.668 10.329 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.835 10.170 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.094 11.392 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.085 9.884 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.722 7.500 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.445 8.540 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.061 7.875 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.285 8.330 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.397 8.732 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.674 9.982 1.638 1.00 0.00 H new ATOM 170 N GLN A 12 -2.117 13.012 -1.836 1.00 0.00 N ATOM 171 CA GLN A 12 -3.399 13.708 -1.698 1.00 0.00 C ATOM 172 C GLN A 12 -4.219 13.634 -2.981 1.00 0.00 C ATOM 173 O GLN A 12 -5.439 13.441 -2.940 1.00 0.00 O ATOM 174 CB GLN A 12 -3.178 15.173 -1.327 1.00 0.00 C ATOM 175 CG GLN A 12 -2.798 15.402 0.125 1.00 0.00 C ATOM 176 CD GLN A 12 -2.515 16.861 0.419 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.034 17.601 -0.440 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.828 17.292 1.630 1.00 0.00 N ATOM 0 H GLN A 12 -1.305 13.585 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.952 13.208 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.394 15.582 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.089 15.731 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.605 15.053 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.917 14.807 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.225 16.648 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.673 18.269 1.880 1.00 0.00 H new ATOM 187 N ARG A 13 -3.545 13.777 -4.112 1.00 0.00 N ATOM 188 CA ARG A 13 -4.207 13.733 -5.405 1.00 0.00 C ATOM 189 C ARG A 13 -4.766 12.339 -5.666 1.00 0.00 C ATOM 190 O ARG A 13 -5.895 12.191 -6.136 1.00 0.00 O ATOM 191 CB ARG A 13 -3.230 14.125 -6.517 1.00 0.00 C ATOM 192 CG ARG A 13 -3.841 14.114 -7.913 1.00 0.00 C ATOM 193 CD ARG A 13 -5.016 15.070 -8.019 1.00 0.00 C ATOM 194 NE ARG A 13 -4.641 16.443 -7.685 1.00 0.00 N ATOM 195 CZ ARG A 13 -5.496 17.362 -7.238 1.00 0.00 C ATOM 196 NH1 ARG A 13 -6.783 17.067 -7.092 1.00 0.00 N ATOM 197 NH2 ARG A 13 -5.063 18.581 -6.947 1.00 0.00 N ATOM 0 H ARG A 13 -2.537 13.925 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.032 14.446 -5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.841 15.122 -6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.381 13.442 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.081 14.388 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.170 13.104 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.416 15.041 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.812 14.740 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.665 16.714 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.121 16.133 -7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.433 17.775 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.077 18.814 -7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.716 19.286 -6.605 1.00 0.00 H new ATOM 211 N TYR A 14 -3.985 11.324 -5.321 1.00 0.00 N ATOM 212 CA TYR A 14 -4.363 9.947 -5.598 1.00 0.00 C ATOM 213 C TYR A 14 -5.507 9.500 -4.696 1.00 0.00 C ATOM 214 O TYR A 14 -6.413 8.803 -5.147 1.00 0.00 O ATOM 215 CB TYR A 14 -3.164 9.007 -5.441 1.00 0.00 C ATOM 216 CG TYR A 14 -1.929 9.463 -6.197 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.659 9.312 -5.655 1.00 0.00 C ATOM 218 CD2 TYR A 14 -2.039 10.063 -7.448 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.464 9.740 -6.337 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.919 10.490 -8.135 1.00 0.00 C ATOM 221 CZ TYR A 14 0.328 10.328 -7.574 1.00 0.00 C ATOM 222 OH TYR A 14 1.445 10.759 -8.253 1.00 0.00 O ATOM 0 H TYR A 14 -3.087 11.429 -4.849 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.704 9.901 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.919 8.918 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.445 8.013 -5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.547 8.852 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.016 10.197 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.444 9.614 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.021 10.949 -9.107 1.00 0.00 H new ATOM 0 HH TYR A 14 1.176 11.150 -9.111 1.00 0.00 H new ATOM 232 N ARG A 15 -5.479 9.916 -3.429 1.00 0.00 N ATOM 233 CA ARG A 15 -6.558 9.573 -2.504 1.00 0.00 C ATOM 234 C ARG A 15 -7.862 10.148 -3.030 1.00 0.00 C ATOM 235 O ARG A 15 -8.864 9.449 -3.160 1.00 0.00 O ATOM 236 CB ARG A 15 -6.325 10.114 -1.083 1.00 0.00 C ATOM 237 CG ARG A 15 -4.886 10.055 -0.602 1.00 0.00 C ATOM 238 CD ARG A 15 -4.764 10.477 0.861 1.00 0.00 C ATOM 239 NE ARG A 15 -5.055 9.370 1.764 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.338 9.490 3.055 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.489 10.688 3.609 1.00 0.00 N ATOM 242 NH2 ARG A 15 -5.499 8.399 3.787 1.00 0.00 N ATOM 0 H ARG A 15 -4.733 10.482 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.593 8.485 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.663 11.150 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.948 9.550 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.503 9.042 -0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.268 10.705 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.757 10.847 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.449 11.301 1.061 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.040 8.428 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.388 11.529 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.706 10.767 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.405 7.478 3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.717 8.479 4.780 1.00 0.00 H new ATOM 256 N THR A 16 -7.813 11.429 -3.366 1.00 0.00 N ATOM 257 CA THR A 16 -8.972 12.157 -3.841 1.00 0.00 C ATOM 258 C THR A 16 -9.549 11.541 -5.117 1.00 0.00 C ATOM 259 O THR A 16 -10.747 11.254 -5.196 1.00 0.00 O ATOM 260 CB THR A 16 -8.591 13.624 -4.105 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.229 14.265 -2.871 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.723 14.378 -4.777 1.00 0.00 C ATOM 0 H THR A 16 -6.963 11.991 -3.315 1.00 0.00 H new ATOM 0 HA THR A 16 -9.738 12.102 -3.067 1.00 0.00 H new ATOM 0 HB THR A 16 -7.737 13.636 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.276 14.121 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.420 15.411 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.959 13.906 -5.730 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.604 14.360 -4.135 1.00 0.00 H new ATOM 270 N GLU A 17 -8.691 11.328 -6.105 1.00 0.00 N ATOM 271 CA GLU A 17 -9.143 10.852 -7.405 1.00 0.00 C ATOM 272 C GLU A 17 -9.644 9.407 -7.338 1.00 0.00 C ATOM 273 O GLU A 17 -10.705 9.093 -7.881 1.00 0.00 O ATOM 274 CB GLU A 17 -8.036 11.024 -8.463 1.00 0.00 C ATOM 275 CG GLU A 17 -7.939 9.888 -9.464 1.00 0.00 C ATOM 276 CD GLU A 17 -6.994 10.201 -10.598 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.437 10.821 -11.586 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.810 9.831 -10.518 1.00 0.00 O ATOM 0 H GLU A 17 -7.684 11.476 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.993 11.464 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.210 11.954 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.077 11.126 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.604 8.985 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.929 9.677 -9.867 1.00 0.00 H new ATOM 285 N CYS A 18 -8.901 8.531 -6.661 1.00 0.00 N ATOM 286 CA CYS A 18 -9.319 7.137 -6.520 1.00 0.00 C ATOM 287 C CYS A 18 -10.648 7.044 -5.782 1.00 0.00 C ATOM 288 O CYS A 18 -11.482 6.198 -6.101 1.00 0.00 O ATOM 289 CB CYS A 18 -8.261 6.296 -5.804 1.00 0.00 C ATOM 290 SG CYS A 18 -6.745 6.022 -6.779 1.00 0.00 S ATOM 0 H CYS A 18 -8.017 8.759 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.442 6.735 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.995 6.786 -4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.694 5.330 -5.546 1.00 0.00 H new ATOM 295 N VAL A 19 -10.851 7.932 -4.813 1.00 0.00 N ATOM 296 CA VAL A 19 -12.106 7.986 -4.084 1.00 0.00 C ATOM 297 C VAL A 19 -13.258 8.314 -5.026 1.00 0.00 C ATOM 298 O VAL A 19 -14.236 7.572 -5.114 1.00 0.00 O ATOM 299 CB VAL A 19 -12.050 9.013 -2.929 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.435 9.505 -2.551 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.368 8.401 -1.719 1.00 0.00 C ATOM 0 H VAL A 19 -10.160 8.622 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.275 7.002 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.473 9.871 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.356 10.225 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.899 9.983 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.046 8.661 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.334 9.133 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.927 7.524 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.353 8.106 -1.984 1.00 0.00 H new ATOM 311 N SER A 20 -13.113 9.409 -5.753 1.00 0.00 N ATOM 312 CA SER A 20 -14.148 9.879 -6.655 1.00 0.00 C ATOM 313 C SER A 20 -14.395 8.898 -7.811 1.00 0.00 C ATOM 314 O SER A 20 -15.508 8.809 -8.330 1.00 0.00 O ATOM 315 CB SER A 20 -13.747 11.249 -7.189 1.00 0.00 C ATOM 316 OG SER A 20 -13.638 12.191 -6.130 1.00 0.00 O ATOM 0 H SER A 20 -12.278 9.994 -5.734 1.00 0.00 H new ATOM 0 HA SER A 20 -15.085 9.952 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.795 11.175 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.486 11.593 -7.913 1.00 0.00 H new ATOM 0 HG SER A 20 -12.770 12.086 -5.687 1.00 0.00 H new ATOM 322 N SER A 21 -13.366 8.152 -8.200 1.00 0.00 N ATOM 323 CA SER A 21 -13.474 7.236 -9.326 1.00 0.00 C ATOM 324 C SER A 21 -14.106 5.909 -8.903 1.00 0.00 C ATOM 325 O SER A 21 -14.980 5.385 -9.589 1.00 0.00 O ATOM 326 CB SER A 21 -12.090 6.997 -9.923 1.00 0.00 C ATOM 327 OG SER A 21 -11.489 8.224 -10.312 1.00 0.00 O ATOM 0 H SER A 21 -12.450 8.165 -7.752 1.00 0.00 H new ATOM 0 HA SER A 21 -14.122 7.687 -10.078 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.457 6.492 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.171 6.337 -10.786 1.00 0.00 H new ATOM 0 HG SER A 21 -10.939 8.566 -9.577 1.00 0.00 H new ATOM 333 N LEU A 22 -13.670 5.373 -7.769 1.00 0.00 N ATOM 334 CA LEU A 22 -14.171 4.089 -7.289 1.00 0.00 C ATOM 335 C LEU A 22 -15.483 4.242 -6.520 1.00 0.00 C ATOM 336 O LEU A 22 -15.980 3.282 -5.927 1.00 0.00 O ATOM 337 CB LEU A 22 -13.117 3.427 -6.408 1.00 0.00 C ATOM 338 CG LEU A 22 -11.918 2.870 -7.164 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.816 2.491 -6.195 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.330 1.667 -7.988 1.00 0.00 C ATOM 0 H LEU A 22 -12.972 5.806 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.374 3.460 -8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.763 4.155 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.586 2.617 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.541 3.640 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.965 2.094 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.505 3.373 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.184 1.733 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.464 1.279 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.726 0.894 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.097 1.962 -8.704 1.00 0.00 H new ATOM 352 N ASN A 23 -16.034 5.455 -6.554 1.00 0.00 N ATOM 353 CA ASN A 23 -17.280 5.780 -5.857 1.00 0.00 C ATOM 354 C ASN A 23 -17.154 5.505 -4.355 1.00 0.00 C ATOM 355 O ASN A 23 -18.103 5.070 -3.707 1.00 0.00 O ATOM 356 CB ASN A 23 -18.450 4.995 -6.467 1.00 0.00 C ATOM 357 CG ASN A 23 -19.810 5.561 -6.096 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.434 5.150 -5.115 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.281 6.510 -6.887 1.00 0.00 N ATOM 0 H ASN A 23 -15.630 6.240 -7.065 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.480 6.844 -5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.349 4.991 -7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.394 3.957 -6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -21.191 6.929 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.734 6.823 -7.689 1.00 0.00 H new ATOM 366 N ILE A 24 -15.970 5.762 -3.807 1.00 0.00 N ATOM 367 CA ILE A 24 -15.724 5.573 -2.388 1.00 0.00 C ATOM 368 C ILE A 24 -16.509 6.599 -1.576 1.00 0.00 C ATOM 369 O ILE A 24 -16.322 7.807 -1.738 1.00 0.00 O ATOM 370 CB ILE A 24 -14.222 5.701 -2.053 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.377 4.794 -2.962 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.977 5.369 -0.586 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.678 3.317 -2.818 1.00 0.00 C ATOM 0 H ILE A 24 -15.164 6.103 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.052 4.566 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.918 6.732 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.538 5.087 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.322 4.961 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.914 5.463 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.541 6.058 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.300 4.348 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.039 2.748 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.488 3.006 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.723 3.133 -3.066 1.00 0.00 H new ATOM 385 N PRO A 25 -17.407 6.120 -0.704 1.00 0.00 N ATOM 386 CA PRO A 25 -18.244 6.982 0.133 1.00 0.00 C ATOM 387 C PRO A 25 -17.421 7.899 1.032 1.00 0.00 C ATOM 388 O PRO A 25 -16.379 7.507 1.568 1.00 0.00 O ATOM 389 CB PRO A 25 -19.050 5.996 0.980 1.00 0.00 C ATOM 390 CG PRO A 25 -18.982 4.701 0.261 1.00 0.00 C ATOM 391 CD PRO A 25 -17.669 4.693 -0.463 1.00 0.00 C ATOM 0 HA PRO A 25 -18.860 7.649 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.633 5.909 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.082 6.328 1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.048 3.865 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.812 4.600 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.882 4.235 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.727 4.132 -1.395 1.00 0.00 H new ATOM 399 N ALA A 26 -17.920 9.123 1.190 1.00 0.00 N ATOM 400 CA ALA A 26 -17.263 10.160 1.984 1.00 0.00 C ATOM 401 C ALA A 26 -16.973 9.686 3.402 1.00 0.00 C ATOM 402 O ALA A 26 -15.984 10.095 4.006 1.00 0.00 O ATOM 403 CB ALA A 26 -18.136 11.400 2.025 1.00 0.00 C ATOM 0 H ALA A 26 -18.798 9.426 0.768 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.309 10.392 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.644 12.172 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.295 11.767 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -19.097 11.154 2.476 1.00 0.00 H new ATOM 409 N ASP A 27 -17.851 8.836 3.924 1.00 0.00 N ATOM 410 CA ASP A 27 -17.667 8.242 5.247 1.00 0.00 C ATOM 411 C ASP A 27 -16.309 7.554 5.365 1.00 0.00 C ATOM 412 O ASP A 27 -15.582 7.753 6.342 1.00 0.00 O ATOM 413 CB ASP A 27 -18.780 7.240 5.534 1.00 0.00 C ATOM 414 CG ASP A 27 -18.582 6.515 6.850 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.794 7.135 7.912 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.226 5.318 6.827 1.00 0.00 O ATOM 0 H ASP A 27 -18.704 8.540 3.448 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.706 9.047 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.738 7.760 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.826 6.511 4.725 1.00 0.00 H new ATOM 421 N TYR A 28 -15.970 6.747 4.362 1.00 0.00 N ATOM 422 CA TYR A 28 -14.692 6.054 4.334 1.00 0.00 C ATOM 423 C TYR A 28 -13.528 7.029 4.203 1.00 0.00 C ATOM 424 O TYR A 28 -12.456 6.803 4.761 1.00 0.00 O ATOM 425 CB TYR A 28 -14.669 5.036 3.195 1.00 0.00 C ATOM 426 CG TYR A 28 -15.425 3.771 3.531 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.763 2.649 4.019 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.803 3.705 3.379 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.456 1.499 4.345 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.502 2.557 3.699 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.825 1.457 4.182 1.00 0.00 C ATOM 432 OH TYR A 28 -17.519 0.316 4.512 1.00 0.00 O ATOM 0 H TYR A 28 -16.568 6.559 3.557 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.575 5.529 5.282 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.101 5.486 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.635 4.785 2.958 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.691 2.677 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.338 4.565 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.928 0.637 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.574 2.521 3.571 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.474 0.452 4.339 1.00 0.00 H new ATOM 442 N VAL A 29 -13.751 8.114 3.474 1.00 0.00 N ATOM 443 CA VAL A 29 -12.733 9.140 3.282 1.00 0.00 C ATOM 444 C VAL A 29 -12.308 9.748 4.622 1.00 0.00 C ATOM 445 O VAL A 29 -11.116 9.935 4.880 1.00 0.00 O ATOM 446 CB VAL A 29 -13.236 10.246 2.342 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.154 11.282 2.102 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.696 9.641 1.030 1.00 0.00 C ATOM 0 H VAL A 29 -14.634 8.308 3.002 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.867 8.662 2.825 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.082 10.746 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.533 12.055 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.865 11.733 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.286 10.803 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.051 10.432 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.863 9.120 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.505 8.935 1.219 1.00 0.00 H new ATOM 458 N GLU A 30 -13.288 10.032 5.480 1.00 0.00 N ATOM 459 CA GLU A 30 -13.014 10.572 6.814 1.00 0.00 C ATOM 460 C GLU A 30 -12.171 9.593 7.629 1.00 0.00 C ATOM 461 O GLU A 30 -11.361 9.997 8.468 1.00 0.00 O ATOM 462 CB GLU A 30 -14.309 10.865 7.564 1.00 0.00 C ATOM 463 CG GLU A 30 -15.370 11.518 6.703 1.00 0.00 C ATOM 464 CD GLU A 30 -16.565 11.973 7.509 1.00 0.00 C ATOM 465 OE1 GLU A 30 -17.586 11.256 7.529 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.486 13.048 8.140 1.00 0.00 O ATOM 0 H GLU A 30 -14.278 9.898 5.276 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.462 11.503 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.704 9.933 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.090 11.514 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.938 12.374 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.698 10.814 5.938 1.00 0.00 H new ATOM 473 N LYS A 31 -12.368 8.306 7.380 1.00 0.00 N ATOM 474 CA LYS A 31 -11.575 7.272 8.032 1.00 0.00 C ATOM 475 C LYS A 31 -10.120 7.361 7.585 1.00 0.00 C ATOM 476 O LYS A 31 -9.213 7.460 8.412 1.00 0.00 O ATOM 477 CB LYS A 31 -12.119 5.879 7.720 1.00 0.00 C ATOM 478 CG LYS A 31 -13.554 5.664 8.171 1.00 0.00 C ATOM 479 CD LYS A 31 -14.003 4.236 7.911 1.00 0.00 C ATOM 480 CE LYS A 31 -15.497 4.066 8.156 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.841 4.180 9.596 1.00 0.00 N ATOM 0 H LYS A 31 -13.071 7.952 6.731 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.636 7.436 9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.056 5.707 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.482 5.135 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.641 5.888 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.211 6.356 7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.769 3.962 6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.448 3.556 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.045 4.820 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.817 3.093 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.867 4.058 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.338 3.444 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.559 5.118 9.947 1.00 0.00 H new ATOM 495 N PHE A 32 -9.911 7.351 6.271 1.00 0.00 N ATOM 496 CA PHE A 32 -8.571 7.391 5.690 1.00 0.00 C ATOM 497 C PHE A 32 -7.808 8.636 6.138 1.00 0.00 C ATOM 498 O PHE A 32 -6.583 8.608 6.275 1.00 0.00 O ATOM 499 CB PHE A 32 -8.645 7.343 4.161 1.00 0.00 C ATOM 500 CG PHE A 32 -9.414 6.161 3.630 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.260 4.908 4.200 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.289 6.303 2.563 1.00 0.00 C ATOM 503 CE1 PHE A 32 -9.962 3.821 3.718 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.994 5.217 2.077 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.831 3.974 2.657 1.00 0.00 C ATOM 0 H PHE A 32 -10.662 7.315 5.581 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.031 6.514 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.110 8.260 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.633 7.318 3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.583 4.780 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.421 7.273 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.831 2.850 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.671 5.341 1.245 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.382 3.124 2.281 1.00 0.00 H new ATOM 515 N LYS A 33 -8.537 9.722 6.373 1.00 0.00 N ATOM 516 CA LYS A 33 -7.945 10.966 6.852 1.00 0.00 C ATOM 517 C LYS A 33 -7.184 10.741 8.160 1.00 0.00 C ATOM 518 O LYS A 33 -6.132 11.337 8.390 1.00 0.00 O ATOM 519 CB LYS A 33 -9.029 12.023 7.065 1.00 0.00 C ATOM 520 CG LYS A 33 -8.461 13.423 7.237 1.00 0.00 C ATOM 521 CD LYS A 33 -9.556 14.467 7.407 1.00 0.00 C ATOM 522 CE LYS A 33 -10.356 14.247 8.682 1.00 0.00 C ATOM 523 NZ LYS A 33 -11.401 15.288 8.870 1.00 0.00 N ATOM 0 H LYS A 33 -9.547 9.765 6.238 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.243 11.317 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.711 12.014 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.616 11.763 7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.803 13.443 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.851 13.676 6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.110 15.461 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.226 14.434 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.825 13.264 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.682 14.251 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.923 15.101 9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.952 16.224 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.060 15.268 8.066 1.00 0.00 H new ATOM 537 N LYS A 34 -7.713 9.869 9.010 1.00 0.00 N ATOM 538 CA LYS A 34 -7.093 9.582 10.297 1.00 0.00 C ATOM 539 C LYS A 34 -6.393 8.213 10.270 1.00 0.00 C ATOM 540 O LYS A 34 -6.238 7.555 11.302 1.00 0.00 O ATOM 541 CB LYS A 34 -8.149 9.649 11.415 1.00 0.00 C ATOM 542 CG LYS A 34 -9.008 8.401 11.570 1.00 0.00 C ATOM 543 CD LYS A 34 -9.998 8.542 12.719 1.00 0.00 C ATOM 544 CE LYS A 34 -10.987 9.680 12.490 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.796 9.489 11.256 1.00 0.00 N ATOM 0 H LYS A 34 -8.571 9.348 8.830 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.332 10.336 10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.642 9.842 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.803 10.500 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.550 8.214 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.367 7.537 11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.545 7.607 12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.453 8.717 13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.653 9.757 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.443 10.622 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.656 10.071 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.237 9.774 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.061 8.487 11.166 1.00 0.00 H new ATOM 559 N TRP A 35 -5.931 7.825 9.077 1.00 0.00 N ATOM 560 CA TRP A 35 -5.264 6.538 8.856 1.00 0.00 C ATOM 561 C TRP A 35 -6.075 5.366 9.413 1.00 0.00 C ATOM 562 O TRP A 35 -5.555 4.523 10.150 1.00 0.00 O ATOM 563 CB TRP A 35 -3.856 6.552 9.456 1.00 0.00 C ATOM 564 CG TRP A 35 -2.907 7.465 8.732 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.790 8.815 8.896 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.945 7.098 7.730 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.817 9.312 8.065 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.283 8.279 7.339 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.576 5.891 7.126 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.277 8.288 6.377 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.578 5.901 6.171 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.063 7.090 5.803 1.00 0.00 C ATOM 0 H TRP A 35 -6.009 8.396 8.235 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.187 6.394 7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.917 6.858 10.500 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.454 5.539 9.444 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.378 9.407 9.581 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.537 10.291 7.999 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.063 4.967 7.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.218 9.205 6.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.287 4.974 5.699 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.840 7.063 5.053 1.00 0.00 H new ATOM 583 N GLU A 36 -7.348 5.322 9.056 1.00 0.00 N ATOM 584 CA GLU A 36 -8.215 4.230 9.451 1.00 0.00 C ATOM 585 C GLU A 36 -8.660 3.451 8.224 1.00 0.00 C ATOM 586 O GLU A 36 -9.415 3.958 7.395 1.00 0.00 O ATOM 587 CB GLU A 36 -9.429 4.762 10.200 1.00 0.00 C ATOM 588 CG GLU A 36 -10.278 3.671 10.818 1.00 0.00 C ATOM 589 CD GLU A 36 -9.529 2.908 11.884 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.606 3.304 13.063 1.00 0.00 O ATOM 591 OE2 GLU A 36 -8.846 1.918 11.546 1.00 0.00 O ATOM 0 H GLU A 36 -7.804 6.037 8.489 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.661 3.565 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.094 5.440 10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.043 5.346 9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.176 4.112 11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.605 2.981 10.040 1.00 0.00 H new ATOM 598 N PHE A 37 -8.176 2.228 8.110 1.00 0.00 N ATOM 599 CA PHE A 37 -8.476 1.386 6.958 1.00 0.00 C ATOM 600 C PHE A 37 -9.303 0.176 7.380 1.00 0.00 C ATOM 601 O PHE A 37 -8.762 -0.793 7.912 1.00 0.00 O ATOM 602 CB PHE A 37 -7.175 0.920 6.290 1.00 0.00 C ATOM 603 CG PHE A 37 -6.246 2.048 5.930 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.423 2.616 6.890 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.198 2.544 4.637 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.573 3.656 6.569 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.349 3.583 4.312 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.537 4.140 5.279 1.00 0.00 C ATOM 0 H PHE A 37 -7.570 1.790 8.804 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.054 1.973 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.657 0.234 6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.420 0.360 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.447 2.240 7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.831 2.113 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.938 4.089 7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.320 3.960 3.300 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.874 4.954 5.025 1.00 0.00 H new ATOM 618 N PRO A 38 -10.631 0.224 7.186 1.00 0.00 N ATOM 619 CA PRO A 38 -11.504 -0.920 7.459 1.00 0.00 C ATOM 620 C PRO A 38 -11.197 -2.098 6.552 1.00 0.00 C ATOM 621 O PRO A 38 -10.872 -1.923 5.375 1.00 0.00 O ATOM 622 CB PRO A 38 -12.910 -0.392 7.167 1.00 0.00 C ATOM 623 CG PRO A 38 -12.781 1.088 7.213 1.00 0.00 C ATOM 624 CD PRO A 38 -11.396 1.387 6.709 1.00 0.00 C ATOM 0 HA PRO A 38 -11.378 -1.286 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.263 -0.727 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.627 -0.749 7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.537 1.567 6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.919 1.463 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.368 1.474 5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.009 2.322 7.114 1.00 0.00 H new ATOM 632 N GLU A 39 -11.302 -3.292 7.102 1.00 0.00 N ATOM 633 CA GLU A 39 -11.076 -4.498 6.334 1.00 0.00 C ATOM 634 C GLU A 39 -12.352 -4.848 5.573 1.00 0.00 C ATOM 635 O GLU A 39 -13.141 -5.701 5.990 1.00 0.00 O ATOM 636 CB GLU A 39 -10.620 -5.633 7.253 1.00 0.00 C ATOM 637 CG GLU A 39 -10.110 -6.862 6.515 1.00 0.00 C ATOM 638 CD GLU A 39 -9.433 -7.855 7.436 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.022 -8.922 7.700 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.309 -7.570 7.904 1.00 0.00 O ATOM 0 H GLU A 39 -11.543 -3.452 8.080 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.279 -4.340 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.831 -5.262 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.453 -5.926 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.944 -7.350 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.407 -6.551 5.742 1.00 0.00 H new ATOM 647 N ASP A 40 -12.531 -4.162 4.455 1.00 0.00 N ATOM 648 CA ASP A 40 -13.762 -4.216 3.665 1.00 0.00 C ATOM 649 C ASP A 40 -13.439 -3.921 2.209 1.00 0.00 C ATOM 650 O ASP A 40 -12.606 -3.064 1.918 1.00 0.00 O ATOM 651 CB ASP A 40 -14.780 -3.186 4.186 1.00 0.00 C ATOM 652 CG ASP A 40 -16.032 -3.110 3.331 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.011 -2.431 2.283 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.051 -3.723 3.709 1.00 0.00 O ATOM 0 H ASP A 40 -11.821 -3.544 4.062 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.196 -5.212 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.059 -3.443 5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.310 -2.203 4.221 1.00 0.00 H new ATOM 659 N ASP A 41 -14.130 -4.628 1.309 1.00 0.00 N ATOM 660 CA ASP A 41 -13.806 -4.642 -0.127 1.00 0.00 C ATOM 661 C ASP A 41 -13.697 -3.238 -0.716 1.00 0.00 C ATOM 662 O ASP A 41 -12.998 -3.037 -1.717 1.00 0.00 O ATOM 663 CB ASP A 41 -14.846 -5.447 -0.922 1.00 0.00 C ATOM 664 CG ASP A 41 -16.227 -4.817 -0.913 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.525 -4.010 -1.822 1.00 0.00 O ATOM 666 OD2 ASP A 41 -17.027 -5.136 -0.012 1.00 0.00 O ATOM 0 H ASP A 41 -14.932 -5.209 1.553 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.831 -5.121 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.507 -5.548 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.910 -6.453 -0.508 1.00 0.00 H new ATOM 671 N THR A 42 -14.397 -2.284 -0.114 1.00 0.00 N ATOM 672 CA THR A 42 -14.311 -0.889 -0.517 1.00 0.00 C ATOM 673 C THR A 42 -12.869 -0.384 -0.425 1.00 0.00 C ATOM 674 O THR A 42 -12.297 0.102 -1.408 1.00 0.00 O ATOM 675 CB THR A 42 -15.201 -0.024 0.388 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.517 -0.586 0.464 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.279 1.395 -0.134 1.00 0.00 C ATOM 0 H THR A 42 -15.036 -2.456 0.662 1.00 0.00 H new ATOM 0 HA THR A 42 -14.650 -0.815 -1.550 1.00 0.00 H new ATOM 0 HB THR A 42 -14.759 -0.004 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.579 -1.168 1.250 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.914 1.990 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.279 1.828 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.700 1.390 -1.140 1.00 0.00 H new ATOM 685 N THR A 43 -12.292 -0.528 0.760 1.00 0.00 N ATOM 686 CA THR A 43 -10.936 -0.084 1.032 1.00 0.00 C ATOM 687 C THR A 43 -9.922 -0.826 0.157 1.00 0.00 C ATOM 688 O THR A 43 -8.926 -0.247 -0.277 1.00 0.00 O ATOM 689 CB THR A 43 -10.587 -0.301 2.515 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.658 0.184 3.340 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.298 0.423 2.888 1.00 0.00 C ATOM 0 H THR A 43 -12.755 -0.958 1.561 1.00 0.00 H new ATOM 0 HA THR A 43 -10.885 0.979 0.798 1.00 0.00 H new ATOM 0 HB THR A 43 -10.445 -1.369 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.693 -0.336 4.170 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.076 0.252 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.478 0.043 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.417 1.492 2.711 1.00 0.00 H new ATOM 699 N MET A 44 -10.189 -2.105 -0.110 1.00 0.00 N ATOM 700 CA MET A 44 -9.292 -2.932 -0.920 1.00 0.00 C ATOM 701 C MET A 44 -9.033 -2.312 -2.290 1.00 0.00 C ATOM 702 O MET A 44 -7.884 -2.060 -2.658 1.00 0.00 O ATOM 703 CB MET A 44 -9.866 -4.337 -1.114 1.00 0.00 C ATOM 704 CG MET A 44 -9.650 -5.296 0.049 1.00 0.00 C ATOM 705 SD MET A 44 -10.277 -4.676 1.614 1.00 0.00 S ATOM 706 CE MET A 44 -10.225 -6.159 2.613 1.00 0.00 C ATOM 0 H MET A 44 -11.021 -2.592 0.223 1.00 0.00 H new ATOM 0 HA MET A 44 -8.349 -2.993 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.937 -4.252 -1.298 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.422 -4.772 -2.009 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.136 -6.245 -0.178 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.584 -5.500 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.146 -5.886 3.665 1.00 0.00 H new ATOM 0 HE2 MET A 44 -11.136 -6.736 2.455 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.361 -6.760 2.328 1.00 0.00 H new ATOM 716 N CYS A 45 -10.098 -2.073 -3.050 1.00 0.00 N ATOM 717 CA CYS A 45 -9.955 -1.514 -4.392 1.00 0.00 C ATOM 718 C CYS A 45 -9.378 -0.108 -4.332 1.00 0.00 C ATOM 719 O CYS A 45 -8.626 0.298 -5.219 1.00 0.00 O ATOM 720 CB CYS A 45 -11.290 -1.512 -5.142 1.00 0.00 C ATOM 721 SG CYS A 45 -11.925 -3.178 -5.528 1.00 0.00 S ATOM 0 H CYS A 45 -11.060 -2.255 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.262 -2.151 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.031 -0.981 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.172 -0.955 -6.071 1.00 0.00 H new ATOM 726 N TYR A 46 -9.712 0.622 -3.275 1.00 0.00 N ATOM 727 CA TYR A 46 -9.181 1.959 -3.075 1.00 0.00 C ATOM 728 C TYR A 46 -7.661 1.919 -2.980 1.00 0.00 C ATOM 729 O TYR A 46 -6.965 2.676 -3.660 1.00 0.00 O ATOM 730 CB TYR A 46 -9.790 2.572 -1.816 1.00 0.00 C ATOM 731 CG TYR A 46 -9.054 3.794 -1.317 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.083 4.985 -2.031 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.333 3.756 -0.130 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.415 6.102 -1.574 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.662 4.870 0.332 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.707 6.041 -0.394 1.00 0.00 C ATOM 737 OH TYR A 46 -7.050 7.157 0.063 1.00 0.00 O ATOM 0 H TYR A 46 -10.349 0.307 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.447 2.581 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.827 2.841 -2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.804 1.820 -1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.636 5.037 -2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.297 2.840 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.447 7.021 -2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.105 4.825 1.256 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.600 6.948 0.908 1.00 0.00 H new ATOM 747 N ILE A 47 -7.159 1.015 -2.148 1.00 0.00 N ATOM 748 CA ILE A 47 -5.729 0.837 -1.977 1.00 0.00 C ATOM 749 C ILE A 47 -5.068 0.437 -3.293 1.00 0.00 C ATOM 750 O ILE A 47 -3.975 0.904 -3.605 1.00 0.00 O ATOM 751 CB ILE A 47 -5.416 -0.217 -0.890 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.841 0.299 0.496 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.936 -0.592 -0.898 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.168 1.595 0.911 1.00 0.00 C ATOM 0 H ILE A 47 -7.730 0.390 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.321 1.795 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.988 -1.117 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.921 0.446 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.620 -0.467 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.745 -1.335 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.671 -1.006 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.335 0.296 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.523 1.889 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.088 1.451 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.409 2.377 0.191 1.00 0.00 H new ATOM 766 N LYS A 48 -5.743 -0.403 -4.076 1.00 0.00 N ATOM 767 CA LYS A 48 -5.181 -0.859 -5.337 1.00 0.00 C ATOM 768 C LYS A 48 -4.980 0.318 -6.281 1.00 0.00 C ATOM 769 O LYS A 48 -3.905 0.486 -6.853 1.00 0.00 O ATOM 770 CB LYS A 48 -6.074 -1.901 -6.012 1.00 0.00 C ATOM 771 CG LYS A 48 -5.353 -2.647 -7.126 1.00 0.00 C ATOM 772 CD LYS A 48 -6.293 -3.474 -7.985 1.00 0.00 C ATOM 773 CE LYS A 48 -7.073 -2.604 -8.956 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.806 -3.420 -9.959 1.00 0.00 N ATOM 0 H LYS A 48 -6.668 -0.775 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.220 -1.324 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.422 -2.615 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.957 -1.410 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.828 -1.930 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.597 -3.300 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.721 -4.217 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.987 -4.019 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.780 -1.986 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.389 -1.927 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.367 -2.795 -10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.125 -3.953 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.440 -4.084 -9.470 1.00 0.00 H new ATOM 788 N CYS A 49 -6.026 1.128 -6.437 1.00 0.00 N ATOM 789 CA CYS A 49 -5.967 2.302 -7.303 1.00 0.00 C ATOM 790 C CYS A 49 -4.829 3.232 -6.892 1.00 0.00 C ATOM 791 O CYS A 49 -4.018 3.634 -7.723 1.00 0.00 O ATOM 792 CB CYS A 49 -7.305 3.049 -7.285 1.00 0.00 C ATOM 793 SG CYS A 49 -7.294 4.647 -8.174 1.00 0.00 S ATOM 0 H CYS A 49 -6.925 0.992 -5.974 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.772 1.961 -8.320 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.070 2.409 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.594 3.226 -6.249 1.00 0.00 H new ATOM 798 N VAL A 50 -4.757 3.545 -5.599 1.00 0.00 N ATOM 799 CA VAL A 50 -3.747 4.452 -5.081 1.00 0.00 C ATOM 800 C VAL A 50 -2.345 3.885 -5.279 1.00 0.00 C ATOM 801 O VAL A 50 -1.450 4.569 -5.777 1.00 0.00 O ATOM 802 CB VAL A 50 -3.992 4.745 -3.589 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.817 5.485 -2.980 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.263 5.551 -3.425 1.00 0.00 C ATOM 0 H VAL A 50 -5.393 3.178 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.822 5.385 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.100 3.796 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.016 5.679 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.917 4.878 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.672 6.431 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.431 5.755 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.169 6.493 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.106 4.986 -3.824 1.00 0.00 H new ATOM 814 N PHE A 51 -2.173 2.622 -4.917 1.00 0.00 N ATOM 815 CA PHE A 51 -0.890 1.950 -5.048 1.00 0.00 C ATOM 816 C PHE A 51 -0.475 1.856 -6.512 1.00 0.00 C ATOM 817 O PHE A 51 0.710 1.819 -6.838 1.00 0.00 O ATOM 818 CB PHE A 51 -0.967 0.555 -4.424 1.00 0.00 C ATOM 819 CG PHE A 51 -0.572 0.499 -2.976 1.00 0.00 C ATOM 820 CD1 PHE A 51 0.005 -0.648 -2.454 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.779 1.580 -2.135 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.366 -0.715 -1.124 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.417 1.518 -0.804 1.00 0.00 C ATOM 824 CZ PHE A 51 0.155 0.370 -0.298 1.00 0.00 C ATOM 0 H PHE A 51 -2.913 2.038 -4.527 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.136 2.534 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.986 0.181 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.323 -0.119 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.174 -1.500 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.229 2.481 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.813 -1.616 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.582 2.369 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.437 0.320 0.743 1.00 0.00 H new ATOM 834 N ASN A 52 -1.461 1.830 -7.395 1.00 0.00 N ATOM 835 CA ASN A 52 -1.206 1.783 -8.828 1.00 0.00 C ATOM 836 C ASN A 52 -0.828 3.172 -9.331 1.00 0.00 C ATOM 837 O ASN A 52 0.051 3.323 -10.178 1.00 0.00 O ATOM 838 CB ASN A 52 -2.445 1.276 -9.573 1.00 0.00 C ATOM 839 CG ASN A 52 -2.209 1.103 -11.064 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.024 0.642 -11.435 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.100 1.355 -11.876 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.450 1.841 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.381 1.096 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.754 0.322 -9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.267 1.975 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.000 1.709 -11.552 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.938 1.210 -12.873 1.00 0.00 H new ATOM 848 N LYS A 53 -1.484 4.181 -8.772 1.00 0.00 N ATOM 849 CA LYS A 53 -1.245 5.576 -9.132 1.00 0.00 C ATOM 850 C LYS A 53 0.153 6.013 -8.711 1.00 0.00 C ATOM 851 O LYS A 53 0.752 6.902 -9.316 1.00 0.00 O ATOM 852 CB LYS A 53 -2.288 6.473 -8.460 1.00 0.00 C ATOM 853 CG LYS A 53 -3.657 6.457 -9.130 1.00 0.00 C ATOM 854 CD LYS A 53 -3.624 7.063 -10.522 1.00 0.00 C ATOM 855 CE LYS A 53 -4.989 6.993 -11.181 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.010 7.704 -12.484 1.00 0.00 N ATOM 0 H LYS A 53 -2.198 4.057 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.327 5.669 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.402 6.162 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.915 7.497 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.017 5.430 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.367 7.007 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.299 8.102 -10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.893 6.535 -11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.267 5.950 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.736 7.429 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.702 7.252 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.277 8.698 -12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.066 7.662 -12.918 1.00 0.00 H new ATOM 870 N MET A 54 0.663 5.377 -7.667 1.00 0.00 N ATOM 871 CA MET A 54 1.991 5.678 -7.152 1.00 0.00 C ATOM 872 C MET A 54 3.038 4.770 -7.791 1.00 0.00 C ATOM 873 O MET A 54 4.206 4.779 -7.400 1.00 0.00 O ATOM 874 CB MET A 54 2.006 5.517 -5.629 1.00 0.00 C ATOM 875 CG MET A 54 1.100 6.503 -4.915 1.00 0.00 C ATOM 876 SD MET A 54 0.764 6.048 -3.202 1.00 0.00 S ATOM 877 CE MET A 54 2.326 6.433 -2.421 1.00 0.00 C ATOM 0 H MET A 54 0.173 4.643 -7.156 1.00 0.00 H new ATOM 0 HA MET A 54 2.237 6.709 -7.404 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.700 4.502 -5.374 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.026 5.643 -5.267 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.559 7.491 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.157 6.577 -5.456 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.331 6.041 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.138 5.979 -2.988 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.463 7.514 -2.394 1.00 0.00 H new ATOM 887 N GLN A 55 2.589 3.989 -8.784 1.00 0.00 N ATOM 888 CA GLN A 55 3.425 3.006 -9.471 1.00 0.00 C ATOM 889 C GLN A 55 4.142 2.101 -8.477 1.00 0.00 C ATOM 890 O GLN A 55 5.341 1.858 -8.585 1.00 0.00 O ATOM 891 CB GLN A 55 4.423 3.693 -10.408 1.00 0.00 C ATOM 892 CG GLN A 55 3.847 4.025 -11.778 1.00 0.00 C ATOM 893 CD GLN A 55 3.749 2.829 -12.723 1.00 0.00 C ATOM 894 OE1 GLN A 55 3.594 1.625 -12.185 1.00 0.00 O flip ATOM 895 NE2 GLN A 55 3.828 2.990 -13.940 1.00 0.00 N flip ATOM 0 H GLN A 55 1.631 4.025 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 55 2.771 2.380 -10.078 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.775 4.612 -9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.292 3.047 -10.536 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.853 4.453 -11.648 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.466 4.792 -12.244 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.947 3.928 -14.324 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.775 2.186 -14.565 1.00 0.00 H new ATOM 904 N LEU A 56 3.384 1.601 -7.516 1.00 0.00 N ATOM 905 CA LEU A 56 3.935 0.810 -6.430 1.00 0.00 C ATOM 906 C LEU A 56 3.364 -0.603 -6.454 1.00 0.00 C ATOM 907 O LEU A 56 3.943 -1.540 -5.901 1.00 0.00 O ATOM 908 CB LEU A 56 3.633 1.511 -5.100 1.00 0.00 C ATOM 909 CG LEU A 56 4.765 2.384 -4.568 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.333 3.113 -3.307 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.998 1.548 -4.295 1.00 0.00 C ATOM 0 H LEU A 56 2.374 1.731 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 56 5.015 0.725 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.744 2.129 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.394 0.755 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 56 5.009 3.125 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.155 3.730 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.474 3.746 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.060 2.386 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.795 2.188 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.763 0.784 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.325 1.070 -5.218 1.00 0.00 H new ATOM 923 N PHE A 57 2.228 -0.741 -7.115 1.00 0.00 N ATOM 924 CA PHE A 57 1.570 -2.024 -7.270 1.00 0.00 C ATOM 925 C PHE A 57 1.031 -2.128 -8.682 1.00 0.00 C ATOM 926 O PHE A 57 0.505 -1.155 -9.230 1.00 0.00 O ATOM 927 CB PHE A 57 0.430 -2.182 -6.249 1.00 0.00 C ATOM 928 CG PHE A 57 -0.392 -3.436 -6.418 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.532 -3.432 -7.210 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.029 -4.613 -5.782 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.290 -4.576 -7.364 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.786 -5.760 -5.934 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.917 -5.741 -6.727 1.00 0.00 C ATOM 0 H PHE A 57 1.736 0.035 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 57 2.290 -2.822 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.855 -2.174 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.230 -1.318 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.830 -2.523 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.854 -4.634 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.175 -4.558 -7.983 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.493 -6.671 -5.433 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.508 -6.637 -6.848 1.00 0.00 H new ATOM 943 N ASP A 58 1.185 -3.293 -9.271 1.00 0.00 N ATOM 944 CA ASP A 58 0.668 -3.550 -10.601 1.00 0.00 C ATOM 945 C ASP A 58 -0.393 -4.637 -10.525 1.00 0.00 C ATOM 946 O ASP A 58 -0.233 -5.620 -9.803 1.00 0.00 O ATOM 947 CB ASP A 58 1.801 -3.960 -11.546 1.00 0.00 C ATOM 948 CG ASP A 58 1.305 -4.251 -12.945 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.121 -3.293 -13.725 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.092 -5.436 -13.272 1.00 0.00 O ATOM 0 H ASP A 58 1.668 -4.085 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 58 0.217 -2.640 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.545 -3.164 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.300 -4.844 -11.149 1.00 0.00 H new ATOM 955 N ASP A 59 -1.477 -4.444 -11.269 1.00 0.00 N ATOM 956 CA ASP A 59 -2.642 -5.335 -11.210 1.00 0.00 C ATOM 957 C ASP A 59 -2.275 -6.745 -11.664 1.00 0.00 C ATOM 958 O ASP A 59 -2.952 -7.716 -11.334 1.00 0.00 O ATOM 959 CB ASP A 59 -3.770 -4.771 -12.085 1.00 0.00 C ATOM 960 CG ASP A 59 -5.081 -5.529 -11.956 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.265 -6.540 -12.670 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.954 -5.092 -11.173 1.00 0.00 O ATOM 0 H ASP A 59 -1.578 -3.672 -11.928 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.983 -5.393 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.937 -3.727 -11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.452 -4.788 -13.127 1.00 0.00 H new ATOM 967 N THR A 60 -1.192 -6.846 -12.419 1.00 0.00 N ATOM 968 CA THR A 60 -0.718 -8.122 -12.922 1.00 0.00 C ATOM 969 C THR A 60 0.436 -8.681 -12.076 1.00 0.00 C ATOM 970 O THR A 60 0.313 -9.745 -11.465 1.00 0.00 O ATOM 971 CB THR A 60 -0.264 -7.970 -14.382 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.394 -7.676 -15.213 1.00 0.00 O ATOM 973 CG2 THR A 60 0.442 -9.218 -14.881 1.00 0.00 C ATOM 0 H THR A 60 -0.621 -6.049 -12.698 1.00 0.00 H new ATOM 0 HA THR A 60 -1.546 -8.828 -12.861 1.00 0.00 H new ATOM 0 HB THR A 60 0.448 -7.146 -14.430 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.100 -7.578 -16.143 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.748 -9.073 -15.917 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.321 -9.409 -14.266 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.236 -10.069 -14.819 1.00 0.00 H new ATOM 981 N GLU A 61 1.557 -7.961 -12.049 1.00 0.00 N ATOM 982 CA GLU A 61 2.766 -8.441 -11.387 1.00 0.00 C ATOM 983 C GLU A 61 2.681 -8.339 -9.862 1.00 0.00 C ATOM 984 O GLU A 61 3.495 -8.930 -9.154 1.00 0.00 O ATOM 985 CB GLU A 61 3.986 -7.666 -11.878 1.00 0.00 C ATOM 986 CG GLU A 61 3.993 -7.421 -13.373 1.00 0.00 C ATOM 987 CD GLU A 61 5.272 -6.767 -13.850 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.269 -7.491 -14.058 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.288 -5.531 -14.029 1.00 0.00 O ATOM 0 H GLU A 61 1.651 -7.041 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 61 2.865 -9.495 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.028 -6.707 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.887 -8.214 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.858 -8.369 -13.893 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.145 -6.789 -13.638 1.00 0.00 H new ATOM 996 N GLY A 62 1.712 -7.596 -9.354 1.00 0.00 N ATOM 997 CA GLY A 62 1.586 -7.446 -7.916 1.00 0.00 C ATOM 998 C GLY A 62 2.441 -6.316 -7.370 1.00 0.00 C ATOM 999 O GLY A 62 2.721 -5.350 -8.079 1.00 0.00 O ATOM 0 H GLY A 62 1.014 -7.096 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.542 -7.261 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.871 -8.379 -7.431 1.00 0.00 H new ATOM 1003 N PRO A 63 2.862 -6.415 -6.096 1.00 0.00 N ATOM 1004 CA PRO A 63 3.711 -5.406 -5.455 1.00 0.00 C ATOM 1005 C PRO A 63 5.055 -5.264 -6.158 1.00 0.00 C ATOM 1006 O PRO A 63 5.789 -6.241 -6.317 1.00 0.00 O ATOM 1007 CB PRO A 63 3.914 -5.935 -4.028 1.00 0.00 C ATOM 1008 CG PRO A 63 2.863 -6.971 -3.825 1.00 0.00 C ATOM 1009 CD PRO A 63 2.539 -7.524 -5.188 1.00 0.00 C ATOM 0 HA PRO A 63 3.253 -4.417 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.910 -6.360 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.818 -5.133 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.218 -7.759 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.977 -6.539 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.131 -8.411 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.491 -7.813 -5.265 1.00 0.00 H new ATOM 1017 N LEU A 64 5.371 -4.052 -6.582 1.00 0.00 N ATOM 1018 CA LEU A 64 6.627 -3.791 -7.269 1.00 0.00 C ATOM 1019 C LEU A 64 7.719 -3.531 -6.247 1.00 0.00 C ATOM 1020 O LEU A 64 7.942 -2.394 -5.830 1.00 0.00 O ATOM 1021 CB LEU A 64 6.479 -2.604 -8.225 1.00 0.00 C ATOM 1022 CG LEU A 64 5.281 -2.702 -9.173 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.133 -1.434 -9.996 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.429 -3.911 -10.082 1.00 0.00 C ATOM 0 H LEU A 64 4.776 -3.232 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 64 6.901 -4.664 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.389 -1.690 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.390 -2.514 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 64 4.379 -2.821 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.275 -1.530 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.983 -0.584 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.035 -1.277 -10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.571 -3.970 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.342 -3.815 -10.670 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.480 -4.817 -9.478 1.00 0.00 H new ATOM 1036 N VAL A 65 8.381 -4.613 -5.852 1.00 0.00 N ATOM 1037 CA VAL A 65 9.378 -4.609 -4.785 1.00 0.00 C ATOM 1038 C VAL A 65 10.412 -3.498 -4.947 1.00 0.00 C ATOM 1039 O VAL A 65 10.716 -2.790 -3.990 1.00 0.00 O ATOM 1040 CB VAL A 65 10.104 -5.965 -4.710 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.234 -5.928 -3.689 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.118 -7.066 -4.372 1.00 0.00 C ATOM 0 H VAL A 65 8.239 -5.532 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 65 8.831 -4.427 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 65 10.543 -6.171 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.728 -6.899 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.956 -5.162 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.827 -5.696 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.642 -8.021 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.654 -6.855 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.349 -7.115 -5.143 1.00 0.00 H new ATOM 1052 N ASP A 66 10.944 -3.342 -6.152 1.00 0.00 N ATOM 1053 CA ASP A 66 11.993 -2.358 -6.394 1.00 0.00 C ATOM 1054 C ASP A 66 11.514 -0.943 -6.074 1.00 0.00 C ATOM 1055 O ASP A 66 12.172 -0.211 -5.332 1.00 0.00 O ATOM 1056 CB ASP A 66 12.478 -2.437 -7.834 1.00 0.00 C ATOM 1057 CG ASP A 66 13.585 -1.442 -8.122 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.709 -1.625 -7.605 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.339 -0.477 -8.873 1.00 0.00 O ATOM 0 H ASP A 66 10.669 -3.880 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 66 12.825 -2.590 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.836 -3.446 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.641 -2.252 -8.508 1.00 0.00 H new ATOM 1064 N ASN A 67 10.358 -0.567 -6.615 1.00 0.00 N ATOM 1065 CA ASN A 67 9.783 0.745 -6.340 1.00 0.00 C ATOM 1066 C ASN A 67 9.404 0.858 -4.872 1.00 0.00 C ATOM 1067 O ASN A 67 9.524 1.921 -4.271 1.00 0.00 O ATOM 1068 CB ASN A 67 8.555 1.010 -7.212 1.00 0.00 C ATOM 1069 CG ASN A 67 8.908 1.258 -8.666 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.890 0.728 -9.183 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.106 2.069 -9.334 1.00 0.00 N ATOM 0 H ASN A 67 9.804 -1.149 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 67 10.539 1.494 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.879 0.158 -7.148 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.017 1.874 -6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.292 2.275 -10.316 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.301 2.488 -8.868 1.00 0.00 H new ATOM 1078 N LEU A 68 8.959 -0.256 -4.306 1.00 0.00 N ATOM 1079 CA LEU A 68 8.585 -0.318 -2.899 1.00 0.00 C ATOM 1080 C LEU A 68 9.763 0.034 -2.004 1.00 0.00 C ATOM 1081 O LEU A 68 9.626 0.810 -1.064 1.00 0.00 O ATOM 1082 CB LEU A 68 8.042 -1.707 -2.563 1.00 0.00 C ATOM 1083 CG LEU A 68 6.568 -1.908 -2.912 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.222 -3.384 -2.940 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.692 -1.183 -1.908 1.00 0.00 C ATOM 0 H LEU A 68 8.847 -1.138 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 68 7.801 0.417 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.634 -2.453 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.179 -1.890 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 68 6.387 -1.494 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.168 -3.506 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.833 -3.887 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.415 -3.822 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.643 -1.332 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.880 -1.577 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.922 -0.118 -1.927 1.00 0.00 H new ATOM 1097 N VAL A 69 10.920 -0.525 -2.316 1.00 0.00 N ATOM 1098 CA VAL A 69 12.142 -0.221 -1.590 1.00 0.00 C ATOM 1099 C VAL A 69 12.573 1.218 -1.842 1.00 0.00 C ATOM 1100 O VAL A 69 12.925 1.937 -0.916 1.00 0.00 O ATOM 1101 CB VAL A 69 13.274 -1.173 -1.998 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.553 -0.831 -1.260 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.873 -2.611 -1.730 1.00 0.00 C ATOM 0 H VAL A 69 11.039 -1.197 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 69 11.937 -0.352 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 69 13.456 -1.056 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.343 -1.518 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.849 0.191 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.388 -0.920 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.685 -3.276 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.666 -2.739 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.980 -2.853 -2.306 1.00 0.00 H new ATOM 1113 N HIS A 70 12.518 1.640 -3.096 1.00 0.00 N ATOM 1114 CA HIS A 70 12.945 2.987 -3.467 1.00 0.00 C ATOM 1115 C HIS A 70 12.071 4.049 -2.801 1.00 0.00 C ATOM 1116 O HIS A 70 12.504 5.180 -2.586 1.00 0.00 O ATOM 1117 CB HIS A 70 12.918 3.158 -4.989 1.00 0.00 C ATOM 1118 CG HIS A 70 13.971 2.360 -5.702 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.178 2.428 -7.060 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.882 1.475 -5.231 1.00 0.00 C ATOM 1121 CE1 HIS A 70 15.168 1.621 -7.395 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.613 1.032 -6.303 1.00 0.00 N ATOM 0 H HIS A 70 12.183 1.073 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 70 13.968 3.121 -3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.937 2.864 -5.362 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.048 4.213 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.009 1.174 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.549 1.469 -8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.377 0.357 -6.262 1.00 0.00 H new ATOM 1131 N GLN A 71 10.843 3.673 -2.477 1.00 0.00 N ATOM 1132 CA GLN A 71 9.909 4.574 -1.817 1.00 0.00 C ATOM 1133 C GLN A 71 10.027 4.457 -0.298 1.00 0.00 C ATOM 1134 O GLN A 71 10.340 5.430 0.386 1.00 0.00 O ATOM 1135 CB GLN A 71 8.475 4.249 -2.236 1.00 0.00 C ATOM 1136 CG GLN A 71 7.499 5.396 -2.011 1.00 0.00 C ATOM 1137 CD GLN A 71 7.733 6.562 -2.955 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.158 6.382 -4.095 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.464 7.771 -2.486 1.00 0.00 N ATOM 0 H GLN A 71 10.468 2.743 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 71 10.155 5.593 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.467 3.978 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.132 3.377 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.480 5.030 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.586 5.745 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.113 7.883 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.608 8.591 -3.076 1.00 0.00 H new ATOM 1148 N LEU A 72 9.775 3.254 0.215 1.00 0.00 N ATOM 1149 CA LEU A 72 9.744 3.015 1.658 1.00 0.00 C ATOM 1150 C LEU A 72 11.088 3.291 2.321 1.00 0.00 C ATOM 1151 O LEU A 72 11.141 3.917 3.376 1.00 0.00 O ATOM 1152 CB LEU A 72 9.301 1.584 1.973 1.00 0.00 C ATOM 1153 CG LEU A 72 7.824 1.281 1.712 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.547 -0.200 1.913 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.929 2.110 2.625 1.00 0.00 C ATOM 0 H LEU A 72 9.588 2.425 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 72 9.016 3.715 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.905 0.896 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.517 1.377 3.021 1.00 0.00 H new ATOM 0 HG LEU A 72 7.600 1.547 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.493 -0.402 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.157 -0.781 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.792 -0.480 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.884 1.877 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.155 1.877 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.106 3.170 2.443 1.00 0.00 H new ATOM 1167 N ALA A 73 12.172 2.837 1.698 1.00 0.00 N ATOM 1168 CA ALA A 73 13.513 3.002 2.255 1.00 0.00 C ATOM 1169 C ALA A 73 14.020 4.442 2.147 1.00 0.00 C ATOM 1170 O ALA A 73 15.214 4.679 1.957 1.00 0.00 O ATOM 1171 CB ALA A 73 14.478 2.043 1.584 1.00 0.00 C ATOM 0 H ALA A 73 12.148 2.349 0.802 1.00 0.00 H new ATOM 0 HA ALA A 73 13.454 2.769 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.474 2.174 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.146 1.018 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.508 2.247 0.514 1.00 0.00 H new ATOM 1177 N HIS A 74 13.107 5.397 2.261 1.00 0.00 N ATOM 1178 CA HIS A 74 13.446 6.815 2.211 1.00 0.00 C ATOM 1179 C HIS A 74 14.212 7.219 3.472 1.00 0.00 C ATOM 1180 O HIS A 74 13.620 7.648 4.464 1.00 0.00 O ATOM 1181 CB HIS A 74 12.169 7.663 2.061 1.00 0.00 C ATOM 1182 CG HIS A 74 12.417 9.138 1.951 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.068 10.034 2.939 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.970 9.875 0.958 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.395 11.253 2.559 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.944 11.187 1.362 1.00 0.00 N ATOM 0 H HIS A 74 12.112 5.212 2.391 1.00 0.00 H new ATOM 0 HA HIS A 74 14.084 6.994 1.345 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.628 7.330 1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.521 7.478 2.918 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.359 9.500 0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.239 12.155 3.132 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.292 11.981 0.824 1.00 0.00 H new ATOM 1195 N GLY A 75 15.529 7.062 3.427 1.00 0.00 N ATOM 1196 CA GLY A 75 16.363 7.424 4.556 1.00 0.00 C ATOM 1197 C GLY A 75 16.728 6.226 5.410 1.00 0.00 C ATOM 1198 O GLY A 75 17.270 6.376 6.507 1.00 0.00 O ATOM 0 H GLY A 75 16.036 6.689 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.274 7.900 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.841 8.159 5.169 1.00 0.00 H new ATOM 1202 N ARG A 76 16.446 5.036 4.904 1.00 0.00 N ATOM 1203 CA ARG A 76 16.697 3.809 5.649 1.00 0.00 C ATOM 1204 C ARG A 76 17.423 2.791 4.781 1.00 0.00 C ATOM 1205 O ARG A 76 17.541 2.975 3.568 1.00 0.00 O ATOM 1206 CB ARG A 76 15.383 3.225 6.174 1.00 0.00 C ATOM 1207 CG ARG A 76 14.974 3.764 7.533 1.00 0.00 C ATOM 1208 CD ARG A 76 13.846 2.946 8.128 1.00 0.00 C ATOM 1209 NE ARG A 76 13.245 3.588 9.296 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.162 3.128 9.916 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.587 2.010 9.502 1.00 0.00 N ATOM 1212 NH2 ARG A 76 11.658 3.779 10.956 1.00 0.00 N ATOM 0 H ARG A 76 16.042 4.892 3.978 1.00 0.00 H new ATOM 0 HA ARG A 76 17.335 4.049 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.590 3.435 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.477 2.141 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.831 3.750 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.661 4.804 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.079 2.786 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.224 1.964 8.412 1.00 0.00 H new ATOM 0 HE ARG A 76 13.681 4.437 9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.974 1.501 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.756 1.657 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.101 4.637 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.827 3.422 11.428 1.00 0.00 H new ATOM 1226 N ASP A 77 17.918 1.732 5.409 1.00 0.00 N ATOM 1227 CA ASP A 77 18.631 0.676 4.704 1.00 0.00 C ATOM 1228 C ASP A 77 17.698 -0.083 3.771 1.00 0.00 C ATOM 1229 O ASP A 77 16.752 -0.744 4.207 1.00 0.00 O ATOM 1230 CB ASP A 77 19.275 -0.280 5.703 1.00 0.00 C ATOM 1231 CG ASP A 77 20.093 -1.360 5.030 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.303 -1.139 4.808 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.538 -2.434 4.727 1.00 0.00 O ATOM 0 H ASP A 77 17.837 1.582 6.415 1.00 0.00 H new ATOM 0 HA ASP A 77 19.413 1.136 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.914 0.285 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.497 -0.743 6.310 1.00 0.00 H new ATOM 1238 N ALA A 78 17.985 0.025 2.485 1.00 0.00 N ATOM 1239 CA ALA A 78 17.159 -0.559 1.437 1.00 0.00 C ATOM 1240 C ALA A 78 17.064 -2.077 1.549 1.00 0.00 C ATOM 1241 O ALA A 78 16.024 -2.661 1.257 1.00 0.00 O ATOM 1242 CB ALA A 78 17.719 -0.177 0.082 1.00 0.00 C ATOM 0 H ALA A 78 18.803 0.523 2.134 1.00 0.00 H new ATOM 0 HA ALA A 78 16.150 -0.164 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.102 -0.614 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.720 0.908 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.739 -0.551 -0.009 1.00 0.00 H new ATOM 1248 N GLU A 79 18.149 -2.708 1.972 1.00 0.00 N ATOM 1249 CA GLU A 79 18.202 -4.161 2.078 1.00 0.00 C ATOM 1250 C GLU A 79 17.239 -4.670 3.146 1.00 0.00 C ATOM 1251 O GLU A 79 16.532 -5.662 2.936 1.00 0.00 O ATOM 1252 CB GLU A 79 19.627 -4.617 2.376 1.00 0.00 C ATOM 1253 CG GLU A 79 20.572 -4.425 1.205 1.00 0.00 C ATOM 1254 CD GLU A 79 22.004 -4.768 1.550 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.342 -5.968 1.579 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.799 -3.836 1.800 1.00 0.00 O ATOM 0 H GLU A 79 19.009 -2.235 2.249 1.00 0.00 H new ATOM 0 HA GLU A 79 17.892 -4.584 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.006 -4.064 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.614 -5.671 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.244 -5.047 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.521 -3.390 0.868 1.00 0.00 H new ATOM 1263 N GLU A 80 17.214 -3.992 4.286 1.00 0.00 N ATOM 1264 CA GLU A 80 16.256 -4.303 5.340 1.00 0.00 C ATOM 1265 C GLU A 80 14.830 -4.130 4.836 1.00 0.00 C ATOM 1266 O GLU A 80 13.981 -5.006 5.010 1.00 0.00 O ATOM 1267 CB GLU A 80 16.484 -3.405 6.550 1.00 0.00 C ATOM 1268 CG GLU A 80 17.636 -3.854 7.424 1.00 0.00 C ATOM 1269 CD GLU A 80 17.330 -5.142 8.156 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.707 -6.221 7.653 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.713 -5.085 9.242 1.00 0.00 O ATOM 0 H GLU A 80 17.847 -3.222 4.505 1.00 0.00 H new ATOM 0 HA GLU A 80 16.403 -5.342 5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.673 -2.388 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.573 -3.376 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.525 -3.990 6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.866 -3.073 8.148 1.00 0.00 H new ATOM 1278 N VAL A 81 14.579 -2.986 4.213 1.00 0.00 N ATOM 1279 CA VAL A 81 13.266 -2.665 3.670 1.00 0.00 C ATOM 1280 C VAL A 81 12.817 -3.702 2.643 1.00 0.00 C ATOM 1281 O VAL A 81 11.707 -4.225 2.728 1.00 0.00 O ATOM 1282 CB VAL A 81 13.274 -1.258 3.050 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.969 -0.954 2.339 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.536 -0.237 4.136 1.00 0.00 C ATOM 0 H VAL A 81 15.278 -2.257 4.070 1.00 0.00 H new ATOM 0 HA VAL A 81 12.550 -2.683 4.492 1.00 0.00 H new ATOM 0 HB VAL A 81 14.067 -1.212 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.011 0.049 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.811 -1.680 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.145 -1.012 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.543 0.763 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.752 -0.299 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.502 -0.438 4.599 1.00 0.00 H new ATOM 1294 N ARG A 82 13.695 -4.007 1.690 1.00 0.00 N ATOM 1295 CA ARG A 82 13.437 -5.026 0.679 1.00 0.00 C ATOM 1296 C ARG A 82 13.034 -6.344 1.328 1.00 0.00 C ATOM 1297 O ARG A 82 12.104 -7.012 0.880 1.00 0.00 O ATOM 1298 CB ARG A 82 14.692 -5.228 -0.166 1.00 0.00 C ATOM 1299 CG ARG A 82 14.492 -6.157 -1.343 1.00 0.00 C ATOM 1300 CD ARG A 82 15.813 -6.424 -2.038 1.00 0.00 C ATOM 1301 NE ARG A 82 15.678 -7.299 -3.197 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.689 -7.990 -3.723 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.903 -7.910 -3.189 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.483 -8.760 -4.782 1.00 0.00 N ATOM 0 H ARG A 82 14.604 -3.554 1.598 1.00 0.00 H new ATOM 0 HA ARG A 82 12.615 -4.692 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.031 -4.259 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.485 -5.625 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.057 -7.097 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.787 -5.715 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.250 -5.476 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.507 -6.874 -1.328 1.00 0.00 H new ATOM 0 HE ARG A 82 14.758 -7.387 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.064 -7.318 -2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.674 -8.440 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.552 -8.823 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.256 -9.289 -5.186 1.00 0.00 H new ATOM 1318 N THR A 83 13.728 -6.690 2.401 1.00 0.00 N ATOM 1319 CA THR A 83 13.504 -7.943 3.103 1.00 0.00 C ATOM 1320 C THR A 83 12.092 -8.012 3.690 1.00 0.00 C ATOM 1321 O THR A 83 11.338 -8.951 3.414 1.00 0.00 O ATOM 1322 CB THR A 83 14.554 -8.107 4.222 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.838 -8.381 3.643 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.174 -9.205 5.203 1.00 0.00 C ATOM 0 H THR A 83 14.462 -6.110 2.809 1.00 0.00 H new ATOM 0 HA THR A 83 13.605 -8.758 2.386 1.00 0.00 H new ATOM 0 HB THR A 83 14.595 -7.173 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.242 -7.544 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.941 -9.286 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.218 -8.964 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.091 -10.154 4.673 1.00 0.00 H new ATOM 1332 N GLU A 84 11.740 -7.015 4.492 1.00 0.00 N ATOM 1333 CA GLU A 84 10.434 -6.978 5.138 1.00 0.00 C ATOM 1334 C GLU A 84 9.297 -6.835 4.121 1.00 0.00 C ATOM 1335 O GLU A 84 8.209 -7.375 4.330 1.00 0.00 O ATOM 1336 CB GLU A 84 10.380 -5.859 6.180 1.00 0.00 C ATOM 1337 CG GLU A 84 11.366 -6.071 7.317 1.00 0.00 C ATOM 1338 CD GLU A 84 11.182 -5.097 8.461 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.256 -5.300 9.275 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.974 -4.143 8.570 1.00 0.00 O ATOM 0 H GLU A 84 12.341 -6.221 4.711 1.00 0.00 H new ATOM 0 HA GLU A 84 10.292 -7.932 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.590 -4.906 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.371 -5.795 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.261 -7.088 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.381 -5.978 6.930 1.00 0.00 H new ATOM 1347 N VAL A 85 9.545 -6.115 3.028 1.00 0.00 N ATOM 1348 CA VAL A 85 8.575 -6.026 1.942 1.00 0.00 C ATOM 1349 C VAL A 85 8.291 -7.407 1.353 1.00 0.00 C ATOM 1350 O VAL A 85 7.136 -7.805 1.218 1.00 0.00 O ATOM 1351 CB VAL A 85 9.065 -5.085 0.819 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.253 -5.289 -0.448 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.985 -3.639 1.272 1.00 0.00 C ATOM 0 H VAL A 85 10.405 -5.588 2.873 1.00 0.00 H new ATOM 0 HA VAL A 85 7.658 -5.616 2.366 1.00 0.00 H new ATOM 0 HB VAL A 85 10.105 -5.326 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.616 -4.616 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.356 -6.321 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.203 -5.077 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.333 -2.987 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.952 -3.391 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.612 -3.498 2.153 1.00 0.00 H new ATOM 1363 N LEU A 86 9.355 -8.135 1.020 1.00 0.00 N ATOM 1364 CA LEU A 86 9.240 -9.463 0.421 1.00 0.00 C ATOM 1365 C LEU A 86 8.426 -10.413 1.296 1.00 0.00 C ATOM 1366 O LEU A 86 7.721 -11.287 0.791 1.00 0.00 O ATOM 1367 CB LEU A 86 10.628 -10.052 0.179 1.00 0.00 C ATOM 1368 CG LEU A 86 11.422 -9.396 -0.942 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.878 -9.812 -0.862 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.834 -9.765 -2.292 1.00 0.00 C ATOM 0 H LEU A 86 10.316 -7.823 1.157 1.00 0.00 H new ATOM 0 HA LEU A 86 8.717 -9.349 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.203 -9.978 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.521 -11.113 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 86 11.363 -8.314 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.437 -9.337 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.292 -9.503 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.953 -10.895 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.412 -9.288 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.867 -10.847 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.800 -9.425 -2.344 1.00 0.00 H new ATOM 1382 N LYS A 87 8.515 -10.227 2.608 1.00 0.00 N ATOM 1383 CA LYS A 87 7.774 -11.062 3.550 1.00 0.00 C ATOM 1384 C LYS A 87 6.282 -10.760 3.480 1.00 0.00 C ATOM 1385 O LYS A 87 5.449 -11.561 3.902 1.00 0.00 O ATOM 1386 CB LYS A 87 8.284 -10.846 4.975 1.00 0.00 C ATOM 1387 CG LYS A 87 9.664 -11.434 5.220 1.00 0.00 C ATOM 1388 CD LYS A 87 10.146 -11.167 6.638 1.00 0.00 C ATOM 1389 CE LYS A 87 9.227 -11.789 7.681 1.00 0.00 C ATOM 1390 NZ LYS A 87 9.096 -13.261 7.511 1.00 0.00 N ATOM 0 H LYS A 87 9.091 -9.507 3.044 1.00 0.00 H new ATOM 0 HA LYS A 87 7.932 -12.105 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.311 -9.777 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.578 -11.291 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.639 -12.509 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.372 -11.009 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.153 -11.565 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.206 -10.091 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.613 -11.573 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.241 -11.329 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.604 -13.663 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.551 -13.464 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.041 -13.687 7.431 1.00 0.00 H new ATOM 1404 N CYS A 88 5.954 -9.608 2.926 1.00 0.00 N ATOM 1405 CA CYS A 88 4.571 -9.183 2.807 1.00 0.00 C ATOM 1406 C CYS A 88 4.076 -9.356 1.378 1.00 0.00 C ATOM 1407 O CYS A 88 2.887 -9.211 1.098 1.00 0.00 O ATOM 1408 CB CYS A 88 4.427 -7.734 3.261 1.00 0.00 C ATOM 1409 SG CYS A 88 4.368 -7.547 5.072 1.00 0.00 S ATOM 0 H CYS A 88 6.631 -8.945 2.549 1.00 0.00 H new ATOM 0 HA CYS A 88 3.956 -9.810 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.263 -7.154 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.518 -7.314 2.830 1.00 0.00 H new ATOM 1414 N VAL A 89 5.004 -9.658 0.471 1.00 0.00 N ATOM 1415 CA VAL A 89 4.651 -9.957 -0.901 1.00 0.00 C ATOM 1416 C VAL A 89 4.008 -11.333 -0.978 1.00 0.00 C ATOM 1417 O VAL A 89 4.688 -12.362 -0.956 1.00 0.00 O ATOM 1418 CB VAL A 89 5.875 -9.885 -1.835 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.503 -10.323 -3.241 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.443 -8.475 -1.858 1.00 0.00 C ATOM 0 H VAL A 89 6.004 -9.700 0.669 1.00 0.00 H new ATOM 0 HA VAL A 89 3.939 -9.203 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 89 6.637 -10.563 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.381 -10.265 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.138 -11.350 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.723 -9.669 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.307 -8.441 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.682 -7.782 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.748 -8.189 -0.851 1.00 0.00 H new ATOM 1430 N ASP A 90 2.692 -11.331 -1.035 1.00 0.00 N ATOM 1431 CA ASP A 90 1.916 -12.556 -1.076 1.00 0.00 C ATOM 1432 C ASP A 90 1.400 -12.774 -2.495 1.00 0.00 C ATOM 1433 O ASP A 90 1.591 -11.921 -3.361 1.00 0.00 O ATOM 1434 CB ASP A 90 0.758 -12.457 -0.079 1.00 0.00 C ATOM 1435 CG ASP A 90 0.138 -13.802 0.246 1.00 0.00 C ATOM 1436 OD1 ASP A 90 -0.875 -14.163 -0.376 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.666 -14.503 1.134 1.00 0.00 O ATOM 0 H ASP A 90 2.129 -10.481 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 90 2.538 -13.407 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.117 -11.997 0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.009 -11.799 -0.486 1.00 0.00 H new ATOM 1442 N LYS A 91 0.771 -13.913 -2.737 1.00 0.00 N ATOM 1443 CA LYS A 91 0.273 -14.251 -4.065 1.00 0.00 C ATOM 1444 C LYS A 91 -1.230 -14.011 -4.151 1.00 0.00 C ATOM 1445 O LYS A 91 -1.924 -13.960 -3.135 1.00 0.00 O ATOM 1446 CB LYS A 91 0.592 -15.709 -4.391 1.00 0.00 C ATOM 1447 CG LYS A 91 2.028 -16.091 -4.081 1.00 0.00 C ATOM 1448 CD LYS A 91 3.017 -15.253 -4.879 1.00 0.00 C ATOM 1449 CE LYS A 91 4.447 -15.481 -4.416 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.855 -16.903 -4.541 1.00 0.00 N ATOM 0 H LYS A 91 0.591 -14.624 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 91 0.768 -13.609 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.079 -16.356 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.395 -15.890 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.217 -15.961 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.181 -17.147 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.933 -15.500 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.765 -14.197 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.121 -14.858 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.546 -15.166 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.865 -16.996 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.296 -17.484 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.690 -17.227 -5.515 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.727 -13.875 -5.373 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.146 -13.628 -5.614 1.00 0.00 C ATOM 1466 C ASN A 92 -3.938 -14.925 -5.470 1.00 0.00 C ATOM 1467 O ASN A 92 -4.520 -15.433 -6.431 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.341 -13.025 -7.008 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.761 -12.548 -7.266 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.523 -12.275 -6.336 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.114 -12.424 -8.537 1.00 0.00 N ATOM 0 H ASN A 92 -1.164 -13.932 -6.222 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.516 -12.918 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.656 -12.186 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.074 -13.769 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.048 -12.091 -8.777 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.452 -12.661 -9.276 1.00 0.00 H new ATOM 1478 N THR A 93 -3.949 -15.451 -4.256 1.00 0.00 N ATOM 1479 CA THR A 93 -4.596 -16.719 -3.961 1.00 0.00 C ATOM 1480 C THR A 93 -6.111 -16.618 -4.089 1.00 0.00 C ATOM 1481 O THR A 93 -6.767 -17.544 -4.557 1.00 0.00 O ATOM 1482 CB THR A 93 -4.234 -17.192 -2.539 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.555 -16.170 -1.580 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.756 -17.525 -2.448 1.00 0.00 C ATOM 0 H THR A 93 -3.510 -15.011 -3.447 1.00 0.00 H new ATOM 0 HA THR A 93 -4.235 -17.444 -4.690 1.00 0.00 H new ATOM 0 HB THR A 93 -4.813 -18.089 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.524 -16.153 -1.432 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.519 -17.857 -1.437 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.518 -18.319 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.168 -16.639 -2.686 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.654 -15.474 -3.702 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.101 -15.300 -3.635 1.00 0.00 C ATOM 1494 C ASP A 94 -8.668 -14.849 -4.974 1.00 0.00 C ATOM 1495 O ASP A 94 -9.882 -14.761 -5.146 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.465 -14.302 -2.535 1.00 0.00 C ATOM 1497 CG ASP A 94 -8.086 -14.802 -1.155 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -8.969 -14.884 -0.276 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.900 -15.128 -0.939 1.00 0.00 O ATOM 0 H ASP A 94 -6.117 -14.651 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.545 -16.266 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.962 -13.354 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.537 -14.106 -2.566 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.767 -14.579 -5.918 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.127 -14.236 -7.294 1.00 0.00 C ATOM 1506 C ASN A 95 -8.867 -12.900 -7.394 1.00 0.00 C ATOM 1507 O ASN A 95 -9.792 -12.758 -8.193 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.975 -15.342 -7.937 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.180 -16.587 -8.310 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.129 -16.889 -7.563 1.00 0.00 O flip ATOM 1511 ND2 ASN A 95 -8.517 -17.282 -9.270 1.00 0.00 N flip ATOM 0 H ASN A 95 -6.761 -14.592 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.187 -14.138 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.771 -15.624 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.454 -14.946 -8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.332 -17.023 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.981 -18.117 -9.508 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.462 -11.925 -6.586 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.003 -10.568 -6.683 1.00 0.00 C ATOM 1520 C ASN A 96 -7.896 -9.556 -6.422 1.00 0.00 C ATOM 1521 O ASN A 96 -7.273 -9.562 -5.359 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.155 -10.325 -5.691 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.502 -11.535 -4.847 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.900 -11.768 -3.798 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.490 -12.297 -5.282 1.00 0.00 N ATOM 0 H ASN A 96 -7.761 -12.047 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.401 -10.449 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -9.886 -9.499 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -11.040 -10.015 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.780 -13.113 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.963 -12.069 -6.157 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.670 -8.683 -7.396 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.566 -7.728 -7.349 1.00 0.00 C ATOM 1534 C ALA A 97 -6.712 -6.732 -6.202 1.00 0.00 C ATOM 1535 O ALA A 97 -5.718 -6.327 -5.599 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.451 -6.995 -8.674 1.00 0.00 C ATOM 0 H ALA A 97 -8.243 -8.616 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.653 -8.295 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.625 -6.286 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.267 -7.714 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.378 -6.459 -8.875 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.944 -6.335 -5.901 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.196 -5.433 -4.778 1.00 0.00 C ATOM 1544 C CYS A 98 -7.799 -6.105 -3.467 1.00 0.00 C ATOM 1545 O CYS A 98 -7.234 -5.475 -2.574 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.673 -5.026 -4.713 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.295 -4.186 -6.206 1.00 0.00 S ATOM 0 H CYS A 98 -8.779 -6.620 -6.413 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.595 -4.536 -4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.275 -5.918 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.818 -4.369 -3.855 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.067 -7.402 -3.380 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.801 -8.171 -2.170 1.00 0.00 C ATOM 1554 C HIS A 99 -6.303 -8.439 -2.054 1.00 0.00 C ATOM 1555 O HIS A 99 -5.764 -8.582 -0.958 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.578 -9.491 -2.231 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.837 -10.152 -0.907 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.706 -11.215 -0.771 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.355 -9.904 0.337 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.749 -11.591 0.493 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.938 -10.813 1.185 1.00 0.00 N ATOM 0 H HIS A 99 -8.472 -7.948 -4.141 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.124 -7.609 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.535 -9.306 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.027 -10.187 -2.863 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.234 -11.644 -1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.646 -9.136 0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.346 -12.397 0.893 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.646 -8.482 -3.205 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.218 -8.770 -3.282 1.00 0.00 C ATOM 1572 C TRP A 100 -3.397 -7.573 -2.803 1.00 0.00 C ATOM 1573 O TRP A 100 -2.543 -7.703 -1.924 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.847 -9.135 -4.726 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.448 -9.648 -4.891 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.561 -9.961 -3.903 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.786 -9.932 -6.129 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.387 -10.408 -4.450 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.500 -10.405 -5.814 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.157 -9.831 -7.473 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.417 -10.778 -6.792 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.247 -10.202 -8.444 1.00 0.00 C ATOM 1583 CH2 TRP A 100 0.026 -10.671 -8.101 1.00 0.00 C ATOM 0 H TRP A 100 -6.086 -8.319 -4.111 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.991 -9.613 -2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.544 -9.891 -5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.976 -8.255 -5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.756 -9.870 -2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.439 -10.697 -3.925 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.137 -9.470 -7.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.401 -11.139 -6.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.523 -10.129 -9.486 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.714 -10.954 -8.884 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.672 -6.409 -3.379 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.953 -5.190 -3.033 1.00 0.00 C ATOM 1596 C ALA A 101 -3.155 -4.831 -1.570 1.00 0.00 C ATOM 1597 O ALA A 101 -2.225 -4.397 -0.889 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.406 -4.045 -3.920 1.00 0.00 C ATOM 0 H ALA A 101 -4.391 -6.284 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.890 -5.367 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.862 -3.140 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.208 -4.292 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.475 -3.880 -3.783 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.374 -5.033 -1.087 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.700 -4.713 0.288 1.00 0.00 C ATOM 1606 C PHE A 102 -3.947 -5.636 1.243 1.00 0.00 C ATOM 1607 O PHE A 102 -3.617 -5.250 2.360 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.206 -4.805 0.525 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.622 -4.350 1.898 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.935 -5.263 2.894 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.697 -2.997 2.190 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.315 -4.834 4.152 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.076 -2.564 3.446 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.385 -3.482 4.427 1.00 0.00 C ATOM 0 H PHE A 102 -5.149 -5.416 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.390 -3.687 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.722 -4.201 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.527 -5.836 0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.881 -6.321 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.456 -2.272 1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.557 -5.555 4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.130 -1.507 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.681 -3.145 5.409 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.656 -6.850 0.781 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.937 -7.830 1.586 1.00 0.00 C ATOM 1626 C ARG A 103 -1.505 -7.368 1.826 1.00 0.00 C ATOM 1627 O ARG A 103 -0.996 -7.447 2.947 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.941 -9.196 0.902 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.280 -10.278 1.735 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.471 -11.660 1.129 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.870 -12.065 1.127 1.00 0.00 N ATOM 1632 CZ ARG A 103 -4.343 -13.096 0.435 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.532 -13.829 -0.325 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -5.627 -13.400 0.516 1.00 0.00 N ATOM 0 H ARG A 103 -3.909 -7.178 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.443 -7.923 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.970 -9.487 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.427 -9.118 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.215 -10.066 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.695 -10.264 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.091 -11.664 0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.884 -12.387 1.690 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.526 -11.525 1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.539 -13.601 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.903 -14.619 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.246 -12.845 1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.998 -14.190 -0.012 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.866 -6.874 0.769 1.00 0.00 N ATOM 1649 CA GLY A 104 0.496 -6.385 0.883 1.00 0.00 C ATOM 1650 C GLY A 104 0.596 -5.204 1.828 1.00 0.00 C ATOM 1651 O GLY A 104 1.466 -5.164 2.702 1.00 0.00 O ATOM 0 H GLY A 104 -1.268 -6.804 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.142 -7.189 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.861 -6.094 -0.102 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.316 -4.253 1.660 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.358 -3.063 2.501 1.00 0.00 C ATOM 1657 C PHE A 105 -0.628 -3.440 3.956 1.00 0.00 C ATOM 1658 O PHE A 105 0.098 -3.028 4.857 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.426 -2.098 1.965 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.778 -0.962 2.887 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -3.105 -0.646 3.143 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.785 -0.204 3.493 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.433 0.399 3.982 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -1.112 0.843 4.334 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.436 1.144 4.578 1.00 0.00 C ATOM 0 H PHE A 105 -1.041 -4.284 0.943 1.00 0.00 H new ATOM 0 HA PHE A 105 0.610 -2.564 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.077 -1.683 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.332 -2.665 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.890 -1.225 2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.253 -0.435 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.470 0.634 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.331 1.425 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.692 1.962 5.235 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.652 -4.263 4.157 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.085 -4.676 5.492 1.00 0.00 C ATOM 1677 C LYS A 106 -0.959 -5.377 6.254 1.00 0.00 C ATOM 1678 O LYS A 106 -0.718 -5.091 7.429 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.322 -5.584 5.375 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.525 -6.545 6.532 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.638 -7.536 6.226 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.008 -8.360 7.448 1.00 0.00 C ATOM 1683 NZ LYS A 106 -5.715 -7.548 8.472 1.00 0.00 N ATOM 0 H LYS A 106 -2.207 -4.664 3.401 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.350 -3.786 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.208 -4.955 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.245 -6.160 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.598 -7.083 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.768 -5.986 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.517 -6.998 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.323 -8.200 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.642 -9.194 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.105 -8.788 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.889 -8.129 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.129 -6.729 8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.622 -7.217 8.087 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.264 -6.280 5.572 1.00 0.00 N ATOM 1698 CA CYS A 107 0.818 -7.045 6.180 1.00 0.00 C ATOM 1699 C CYS A 107 1.944 -6.134 6.659 1.00 0.00 C ATOM 1700 O CYS A 107 2.460 -6.291 7.770 1.00 0.00 O ATOM 1701 CB CYS A 107 1.357 -8.071 5.174 1.00 0.00 C ATOM 1702 SG CYS A 107 2.931 -8.859 5.665 1.00 0.00 S ATOM 0 H CYS A 107 -0.432 -6.501 4.591 1.00 0.00 H new ATOM 0 HA CYS A 107 0.419 -7.565 7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.606 -8.848 5.029 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.496 -7.579 4.212 1.00 0.00 H new ATOM 1707 N PHE A 108 2.308 -5.171 5.823 1.00 0.00 N ATOM 1708 CA PHE A 108 3.454 -4.320 6.092 1.00 0.00 C ATOM 1709 C PHE A 108 3.126 -3.288 7.170 1.00 0.00 C ATOM 1710 O PHE A 108 3.888 -3.110 8.123 1.00 0.00 O ATOM 1711 CB PHE A 108 3.900 -3.633 4.802 1.00 0.00 C ATOM 1712 CG PHE A 108 5.284 -3.052 4.865 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.384 -3.816 4.502 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.491 -1.745 5.279 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.659 -3.289 4.550 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.764 -1.214 5.330 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.849 -1.987 4.965 1.00 0.00 C ATOM 0 H PHE A 108 1.823 -4.961 4.951 1.00 0.00 H new ATOM 0 HA PHE A 108 4.271 -4.939 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.857 -4.353 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.194 -2.838 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.241 -4.836 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.647 -1.135 5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.506 -3.895 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.912 -0.195 5.655 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.845 -1.572 5.004 1.00 0.00 H new ATOM 1727 N GLN A 109 1.973 -2.633 7.036 1.00 0.00 N ATOM 1728 CA GLN A 109 1.559 -1.599 7.984 1.00 0.00 C ATOM 1729 C GLN A 109 1.296 -2.182 9.369 1.00 0.00 C ATOM 1730 O GLN A 109 1.214 -1.450 10.355 1.00 0.00 O ATOM 1731 CB GLN A 109 0.324 -0.848 7.467 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.954 -1.675 7.334 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.867 -1.586 8.546 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.799 -2.572 9.425 1.00 0.00 O flip ATOM 1735 NE2 GLN A 109 -2.661 -0.656 8.667 1.00 0.00 N flip ATOM 0 H GLN A 109 1.309 -2.800 6.280 1.00 0.00 H new ATOM 0 HA GLN A 109 2.381 -0.889 8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.124 -0.012 8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.563 -0.424 6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.502 -1.342 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.686 -2.718 7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.686 0.088 7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.295 -0.628 9.465 1.00 0.00 H new ATOM 1744 N LYS A 110 1.177 -3.501 9.435 1.00 0.00 N ATOM 1745 CA LYS A 110 0.926 -4.195 10.685 1.00 0.00 C ATOM 1746 C LYS A 110 2.133 -4.096 11.615 1.00 0.00 C ATOM 1747 O LYS A 110 2.002 -4.218 12.833 1.00 0.00 O ATOM 1748 CB LYS A 110 0.604 -5.656 10.385 1.00 0.00 C ATOM 1749 CG LYS A 110 0.143 -6.444 11.589 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.006 -7.918 11.261 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.452 -8.722 12.472 1.00 0.00 C ATOM 1752 NZ LYS A 110 0.547 -8.680 13.573 1.00 0.00 N ATOM 0 H LYS A 110 1.252 -4.116 8.625 1.00 0.00 H new ATOM 0 HA LYS A 110 0.080 -3.729 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.170 -5.697 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.490 -6.134 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.858 -6.321 12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.810 -6.050 11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.731 -8.040 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.944 -8.307 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.404 -8.334 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.621 -9.757 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.305 -9.394 14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.493 -8.880 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.542 -7.736 14.010 1.00 0.00 H new ATOM 1766 N ASN A 111 3.307 -3.869 11.040 1.00 0.00 N ATOM 1767 CA ASN A 111 4.531 -3.796 11.830 1.00 0.00 C ATOM 1768 C ASN A 111 5.305 -2.518 11.541 1.00 0.00 C ATOM 1769 O ASN A 111 5.986 -1.985 12.415 1.00 0.00 O ATOM 1770 CB ASN A 111 5.430 -5.003 11.554 1.00 0.00 C ATOM 1771 CG ASN A 111 4.754 -6.323 11.859 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.789 -6.807 12.991 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.147 -6.926 10.850 1.00 0.00 N ATOM 0 H ASN A 111 3.438 -3.733 10.038 1.00 0.00 H new ATOM 0 HA ASN A 111 4.235 -3.797 12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.736 -4.990 10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.337 -4.918 12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.686 -7.824 10.995 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.140 -6.493 9.927 1.00 0.00 H new ATOM 1780 N ASN A 112 5.200 -2.021 10.317 1.00 0.00 N ATOM 1781 CA ASN A 112 6.018 -0.893 9.890 1.00 0.00 C ATOM 1782 C ASN A 112 5.163 0.200 9.262 1.00 0.00 C ATOM 1783 O ASN A 112 5.348 0.555 8.098 1.00 0.00 O ATOM 1784 CB ASN A 112 7.080 -1.365 8.893 1.00 0.00 C ATOM 1785 CG ASN A 112 8.058 -2.355 9.497 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.465 -2.219 10.650 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.409 -3.379 8.735 1.00 0.00 N ATOM 0 H ASN A 112 4.561 -2.377 9.606 1.00 0.00 H new ATOM 0 HA ASN A 112 6.508 -0.476 10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.588 -1.825 8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.630 -0.501 8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.040 -4.093 9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.049 -3.454 7.784 1.00 0.00 H new ATOM 1794 N LEU A 113 4.235 0.743 10.035 1.00 0.00 N ATOM 1795 CA LEU A 113 3.354 1.792 9.536 1.00 0.00 C ATOM 1796 C LEU A 113 4.053 3.149 9.575 1.00 0.00 C ATOM 1797 O LEU A 113 3.792 4.021 8.744 1.00 0.00 O ATOM 1798 CB LEU A 113 2.048 1.843 10.337 1.00 0.00 C ATOM 1799 CG LEU A 113 1.117 3.003 9.991 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.637 2.888 8.555 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.064 3.032 10.943 1.00 0.00 C ATOM 0 H LEU A 113 4.071 0.477 11.006 1.00 0.00 H new ATOM 0 HA LEU A 113 3.110 1.556 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.510 0.908 10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.293 1.899 11.398 1.00 0.00 H new ATOM 0 HG LEU A 113 1.671 3.936 10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.025 3.722 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.494 2.909 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.097 1.950 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.719 3.864 10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.617 2.096 10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.295 3.157 11.965 1.00 0.00 H new ATOM 1813 N SER A 114 4.953 3.313 10.533 1.00 0.00 N ATOM 1814 CA SER A 114 5.699 4.556 10.677 1.00 0.00 C ATOM 1815 C SER A 114 6.575 4.811 9.452 1.00 0.00 C ATOM 1816 O SER A 114 6.784 5.959 9.057 1.00 0.00 O ATOM 1817 CB SER A 114 6.542 4.502 11.949 1.00 0.00 C ATOM 1818 OG SER A 114 7.115 3.216 12.115 1.00 0.00 O ATOM 0 H SER A 114 5.185 2.600 11.224 1.00 0.00 H new ATOM 0 HA SER A 114 4.995 5.384 10.755 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.330 5.254 11.901 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.923 4.744 12.813 1.00 0.00 H new ATOM 0 HG SER A 114 7.653 3.201 12.934 1.00 0.00 H new ATOM 1824 N LEU A 115 7.061 3.740 8.835 1.00 0.00 N ATOM 1825 CA LEU A 115 7.870 3.858 7.631 1.00 0.00 C ATOM 1826 C LEU A 115 7.015 4.339 6.467 1.00 0.00 C ATOM 1827 O LEU A 115 7.467 5.107 5.625 1.00 0.00 O ATOM 1828 CB LEU A 115 8.511 2.518 7.284 1.00 0.00 C ATOM 1829 CG LEU A 115 9.469 2.553 6.097 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.648 3.455 6.409 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.937 1.150 5.748 1.00 0.00 C ATOM 0 H LEU A 115 6.908 2.782 9.149 1.00 0.00 H new ATOM 0 HA LEU A 115 8.659 4.586 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.051 2.153 8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.721 1.797 7.074 1.00 0.00 H new ATOM 0 HG LEU A 115 8.944 2.957 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.327 3.474 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.290 4.465 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.175 3.075 7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.619 1.195 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.451 0.714 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.076 0.533 5.489 1.00 0.00 H new ATOM 1843 N ILE A 116 5.767 3.894 6.451 1.00 0.00 N ATOM 1844 CA ILE A 116 4.825 4.261 5.404 1.00 0.00 C ATOM 1845 C ILE A 116 4.502 5.754 5.476 1.00 0.00 C ATOM 1846 O ILE A 116 4.328 6.424 4.458 1.00 0.00 O ATOM 1847 CB ILE A 116 3.530 3.427 5.523 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.841 1.952 5.249 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.462 3.937 4.571 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.666 1.028 5.485 1.00 0.00 C ATOM 0 H ILE A 116 5.380 3.271 7.160 1.00 0.00 H new ATOM 0 HA ILE A 116 5.285 4.050 4.439 1.00 0.00 H new ATOM 0 HB ILE A 116 3.142 3.527 6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.174 1.846 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.670 1.641 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.562 3.332 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.230 4.976 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.826 3.870 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.962 0.001 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.346 1.104 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.842 1.312 4.830 1.00 0.00 H new ATOM 1862 N LYS A 117 4.439 6.270 6.693 1.00 0.00 N ATOM 1863 CA LYS A 117 4.217 7.691 6.916 1.00 0.00 C ATOM 1864 C LYS A 117 5.464 8.497 6.552 1.00 0.00 C ATOM 1865 O LYS A 117 5.374 9.652 6.134 1.00 0.00 O ATOM 1866 CB LYS A 117 3.845 7.947 8.377 1.00 0.00 C ATOM 1867 CG LYS A 117 2.479 7.397 8.771 1.00 0.00 C ATOM 1868 CD LYS A 117 2.179 7.647 10.244 1.00 0.00 C ATOM 1869 CE LYS A 117 0.787 7.169 10.634 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.515 7.375 12.082 1.00 0.00 N ATOM 0 H LYS A 117 4.539 5.722 7.547 1.00 0.00 H new ATOM 0 HA LYS A 117 3.395 8.011 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.605 7.501 9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.861 9.021 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.708 7.863 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.445 6.327 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.922 7.136 10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.269 8.712 10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.041 7.703 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.686 6.111 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.442 7.037 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.211 6.845 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.586 8.388 12.308 1.00 0.00 H new ATOM 1884 N ALA A 118 6.624 7.874 6.716 1.00 0.00 N ATOM 1885 CA ALA A 118 7.903 8.534 6.477 1.00 0.00 C ATOM 1886 C ALA A 118 8.278 8.544 5.000 1.00 0.00 C ATOM 1887 O ALA A 118 8.910 9.484 4.521 1.00 0.00 O ATOM 1888 CB ALA A 118 8.983 7.836 7.272 1.00 0.00 C ATOM 0 H ALA A 118 6.706 6.903 7.017 1.00 0.00 H new ATOM 0 HA ALA A 118 7.807 9.572 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.940 8.327 7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.741 7.884 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.047 6.793 6.961 1.00 0.00 H new ATOM 1894 N SER A 119 7.892 7.499 4.288 1.00 0.00 N ATOM 1895 CA SER A 119 8.247 7.352 2.885 1.00 0.00 C ATOM 1896 C SER A 119 7.633 8.455 2.025 1.00 0.00 C ATOM 1897 O SER A 119 8.199 8.850 1.007 1.00 0.00 O ATOM 1898 CB SER A 119 7.810 5.978 2.386 1.00 0.00 C ATOM 1899 OG SER A 119 6.435 5.754 2.645 1.00 0.00 O ATOM 0 H SER A 119 7.329 6.735 4.661 1.00 0.00 H new ATOM 0 HA SER A 119 9.330 7.442 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.999 5.900 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.405 5.205 2.872 1.00 0.00 H new ATOM 0 HG SER A 119 6.065 5.163 1.957 1.00 0.00 H new ATOM 1905 N ILE A 120 6.473 8.947 2.439 1.00 0.00 N ATOM 1906 CA ILE A 120 5.807 10.022 1.717 1.00 0.00 C ATOM 1907 C ILE A 120 6.178 11.383 2.295 1.00 0.00 C ATOM 1908 O ILE A 120 5.746 12.423 1.793 1.00 0.00 O ATOM 1909 CB ILE A 120 4.275 9.864 1.739 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.757 9.793 3.175 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.866 8.626 0.961 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.250 9.862 3.272 1.00 0.00 C ATOM 0 H ILE A 120 5.976 8.620 3.267 1.00 0.00 H new ATOM 0 HA ILE A 120 6.149 9.962 0.684 1.00 0.00 H new ATOM 0 HB ILE A 120 3.830 10.738 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.101 8.866 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.189 10.612 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.781 8.524 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.201 8.719 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.322 7.745 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.950 9.806 4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.900 10.801 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.812 9.028 2.724 1.00 0.00 H new ATOM 1924 N LYS A 121 6.960 11.376 3.363 1.00 0.00 N ATOM 1925 CA LYS A 121 7.414 12.611 3.971 1.00 0.00 C ATOM 1926 C LYS A 121 8.743 13.036 3.364 1.00 0.00 C ATOM 1927 O LYS A 121 9.742 12.329 3.478 1.00 0.00 O ATOM 1928 CB LYS A 121 7.559 12.425 5.484 1.00 0.00 C ATOM 1929 CG LYS A 121 7.966 13.691 6.230 1.00 0.00 C ATOM 1930 CD LYS A 121 7.969 13.463 7.734 1.00 0.00 C ATOM 1931 CE LYS A 121 8.451 14.684 8.507 1.00 0.00 C ATOM 1932 NZ LYS A 121 9.913 14.915 8.350 1.00 0.00 N ATOM 0 H LYS A 121 7.292 10.529 3.824 1.00 0.00 H new ATOM 0 HA LYS A 121 6.678 13.392 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.612 12.067 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.301 11.649 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.958 14.006 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.278 14.500 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.962 13.204 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.609 12.612 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.908 15.565 8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.218 14.557 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.198 15.736 8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.434 14.073 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.130 15.097 7.349 1.00 0.00 H new