USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 852 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 77 GLN : amide:sc= -0.212 X(o=-0.57,f=-0.87) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.359 K(o=-0.57,f=-1.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -1.1 (180deg=-1.7) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= -1.84! (180deg=-2.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.59! C(o=-2.6!,f=-8.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -143:sc= -6.25! (180deg=-11.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc=-0.00167 (180deg=-0.534) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.278 USER MOD Single : A 42 ASN : amide:sc= -1.96! C(o=-2!,f=-2.9!) USER MOD Single : A 43 SER OG : rot 62:sc= 0.0679 USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -0.176 (180deg=-0.409) USER MOD Single : A 47 MET CE :methyl 154:sc= -0.694 (180deg=-2.23!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -160:sc= -2.62! USER MOD Single : A 54 THR OG1 : rot 42:sc= -2.79! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 22:sc= 0.343 USER MOD Single : A 59 CYS SG : rot -109:sc= -13.7! USER MOD Single : A 60 GLN : amide:sc= -3.37! C(o=-3.4!,f=-3.6!) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= 0.593 (180deg=0.00377) USER MOD Single : A 66 MET CE :methyl -164:sc= -0.0287 (180deg=-0.54) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 6:sc= 0.104 USER MOD Single : A 73 THR OG1 : rot 169:sc= -2.05! USER MOD Single : A 74 THR OG1 : rot -65:sc= 0.713 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.4 K(o=-0.4,f=-2) USER MOD Single : A 97 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.198 9.099 3.977 1.00 0.00 N ATOM 72 CA ARG A 5 -7.435 7.827 3.848 1.00 0.00 C ATOM 73 C ARG A 5 -7.309 7.168 5.222 1.00 0.00 C ATOM 74 O ARG A 5 -7.080 7.826 6.219 1.00 0.00 O ATOM 75 CB ARG A 5 -6.041 8.123 3.291 1.00 0.00 C ATOM 76 CG ARG A 5 -6.154 9.117 2.134 1.00 0.00 C ATOM 77 CD ARG A 5 -5.568 10.465 2.558 1.00 0.00 C ATOM 78 NE ARG A 5 -5.297 11.290 1.348 1.00 0.00 N ATOM 79 CZ ARG A 5 -4.553 12.358 1.437 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.251 12.846 2.609 1.00 0.00 N ATOM 81 NH2 ARG A 5 -4.110 12.937 0.355 1.00 0.00 N ATOM 0 HA ARG A 5 -7.960 7.154 3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.404 8.532 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.572 7.201 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.624 8.737 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.198 9.237 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.263 10.985 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.647 10.313 3.121 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.694 11.020 0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.597 12.392 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.669 13.681 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.345 12.555 -0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.528 13.772 0.425 1.00 0.00 H new ATOM 95 N ILE A 6 -7.457 5.874 5.285 1.00 0.00 N ATOM 96 CA ILE A 6 -7.347 5.174 6.596 1.00 0.00 C ATOM 97 C ILE A 6 -5.920 5.322 7.132 1.00 0.00 C ATOM 98 O ILE A 6 -5.710 5.680 8.275 1.00 0.00 O ATOM 99 CB ILE A 6 -7.680 3.690 6.409 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.194 3.522 6.245 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.217 2.899 7.634 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.689 4.398 5.092 1.00 0.00 C ATOM 0 H ILE A 6 -7.649 5.271 4.485 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.046 5.613 7.308 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.170 3.318 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.434 2.477 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.702 3.799 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.455 1.844 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.140 3.015 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.725 3.274 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.766 4.276 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.463 5.443 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.191 4.100 4.169 1.00 0.00 H new ATOM 114 N ARG A 7 -4.936 5.049 6.319 1.00 0.00 N ATOM 115 CA ARG A 7 -3.527 5.177 6.785 1.00 0.00 C ATOM 116 C ARG A 7 -2.795 6.213 5.935 1.00 0.00 C ATOM 117 O ARG A 7 -3.053 6.359 4.757 1.00 0.00 O ATOM 118 CB ARG A 7 -2.816 3.837 6.645 1.00 0.00 C ATOM 119 CG ARG A 7 -1.741 3.725 7.721 1.00 0.00 C ATOM 120 CD ARG A 7 -2.284 2.906 8.884 1.00 0.00 C ATOM 121 NE ARG A 7 -3.039 3.796 9.811 1.00 0.00 N ATOM 122 CZ ARG A 7 -3.320 3.393 11.021 1.00 0.00 C ATOM 123 NH1 ARG A 7 -4.127 2.384 11.202 1.00 0.00 N ATOM 124 NH2 ARG A 7 -2.793 4.000 12.049 1.00 0.00 N ATOM 0 H ARG A 7 -5.047 4.743 5.352 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.527 5.489 7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.531 3.020 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.367 3.751 5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.848 3.252 7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.448 4.717 8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.935 2.115 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.465 2.422 9.415 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.337 4.721 9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.539 1.910 10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.346 2.069 12.147 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.162 4.789 11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.012 3.686 12.994 1.00 0.00 H new ATOM 138 N GLU A 8 -1.871 6.923 6.518 1.00 0.00 N ATOM 139 CA GLU A 8 -1.110 7.935 5.737 1.00 0.00 C ATOM 140 C GLU A 8 0.145 8.321 6.506 1.00 0.00 C ATOM 141 O GLU A 8 0.088 8.773 7.632 1.00 0.00 O ATOM 142 CB GLU A 8 -1.962 9.178 5.503 1.00 0.00 C ATOM 143 CG GLU A 8 -2.720 9.536 6.784 1.00 0.00 C ATOM 144 CD GLU A 8 -3.906 8.586 6.964 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.609 8.358 5.993 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.089 8.101 8.068 1.00 0.00 O ATOM 0 H GLU A 8 -1.610 6.846 7.501 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.840 7.507 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.329 10.012 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.666 9.000 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.053 9.468 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.071 10.567 6.734 1.00 0.00 H new ATOM 153 N GLY A 9 1.277 8.142 5.901 1.00 0.00 N ATOM 154 CA GLY A 9 2.548 8.493 6.580 1.00 0.00 C ATOM 155 C GLY A 9 3.654 8.611 5.538 1.00 0.00 C ATOM 156 O GLY A 9 3.429 9.034 4.422 1.00 0.00 O ATOM 0 H GLY A 9 1.379 7.765 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.438 9.433 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.804 7.731 7.316 1.00 0.00 H new ATOM 160 N TYR A 10 4.847 8.239 5.890 1.00 0.00 N ATOM 161 CA TYR A 10 5.971 8.334 4.919 1.00 0.00 C ATOM 162 C TYR A 10 6.811 7.055 4.963 1.00 0.00 C ATOM 163 O TYR A 10 7.732 6.934 5.747 1.00 0.00 O ATOM 164 CB TYR A 10 6.850 9.534 5.276 1.00 0.00 C ATOM 165 CG TYR A 10 7.066 9.577 6.771 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.018 9.956 7.621 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.316 9.237 7.308 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.220 9.997 9.007 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.517 9.279 8.694 1.00 0.00 C ATOM 170 CZ TYR A 10 7.469 9.657 9.543 1.00 0.00 C ATOM 171 OH TYR A 10 7.668 9.698 10.909 1.00 0.00 O ATOM 0 H TYR A 10 5.096 7.872 6.809 1.00 0.00 H new ATOM 0 HA TYR A 10 5.567 8.460 3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.808 9.461 4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.377 10.457 4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.055 10.216 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.123 8.943 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.413 10.291 9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.480 9.020 9.108 1.00 0.00 H new ATOM 0 HH TYR A 10 8.589 9.432 11.114 1.00 0.00 H new ATOM 181 N LEU A 11 6.516 6.107 4.114 1.00 0.00 N ATOM 182 CA LEU A 11 7.315 4.848 4.098 1.00 0.00 C ATOM 183 C LEU A 11 8.233 4.873 2.872 1.00 0.00 C ATOM 184 O LEU A 11 8.010 5.617 1.941 1.00 0.00 O ATOM 185 CB LEU A 11 6.387 3.625 4.010 1.00 0.00 C ATOM 186 CG LEU A 11 5.432 3.517 5.227 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.579 4.707 6.170 1.00 0.00 C ATOM 188 CD2 LEU A 11 3.987 3.447 4.726 1.00 0.00 C ATOM 0 H LEU A 11 5.758 6.150 3.433 1.00 0.00 H new ATOM 0 HA LEU A 11 7.900 4.777 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.799 3.684 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.990 2.719 3.943 1.00 0.00 H new ATOM 0 HG LEU A 11 5.692 2.615 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.893 4.593 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.603 4.752 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.347 5.627 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.310 3.371 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.755 4.347 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.866 2.573 4.087 1.00 0.00 H new ATOM 200 N VAL A 12 9.263 4.072 2.857 1.00 0.00 N ATOM 201 CA VAL A 12 10.183 4.068 1.684 1.00 0.00 C ATOM 202 C VAL A 12 9.738 3.001 0.681 1.00 0.00 C ATOM 203 O VAL A 12 9.227 1.962 1.049 1.00 0.00 O ATOM 204 CB VAL A 12 11.610 3.773 2.161 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.582 2.636 3.182 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.484 3.367 0.970 1.00 0.00 C ATOM 0 H VAL A 12 9.507 3.422 3.604 1.00 0.00 H new ATOM 0 HA VAL A 12 10.158 5.043 1.197 1.00 0.00 H new ATOM 0 HB VAL A 12 12.025 4.669 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.597 2.426 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.968 2.927 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.162 1.743 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.496 3.159 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.070 2.474 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.509 4.179 0.243 1.00 0.00 H new ATOM 216 N LYS A 13 9.935 3.253 -0.584 1.00 0.00 N ATOM 217 CA LYS A 13 9.531 2.261 -1.619 1.00 0.00 C ATOM 218 C LYS A 13 10.660 2.111 -2.641 1.00 0.00 C ATOM 219 O LYS A 13 11.411 3.033 -2.888 1.00 0.00 O ATOM 220 CB LYS A 13 8.263 2.747 -2.326 1.00 0.00 C ATOM 221 CG LYS A 13 7.635 1.590 -3.104 1.00 0.00 C ATOM 222 CD LYS A 13 6.120 1.600 -2.897 1.00 0.00 C ATOM 223 CE LYS A 13 5.611 0.162 -2.787 1.00 0.00 C ATOM 224 NZ LYS A 13 4.421 0.121 -1.891 1.00 0.00 N ATOM 0 H LYS A 13 10.360 4.107 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 13 9.334 1.299 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.553 3.135 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.503 3.566 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.869 1.682 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.053 0.641 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.869 2.156 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.632 2.107 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.349 -0.218 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.397 -0.484 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.250 -0.858 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.593 0.719 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.588 0.474 -2.404 1.00 0.00 H new ATOM 238 N LYS A 14 10.788 0.956 -3.233 1.00 0.00 N ATOM 239 CA LYS A 14 11.873 0.751 -4.236 1.00 0.00 C ATOM 240 C LYS A 14 11.667 1.705 -5.415 1.00 0.00 C ATOM 241 O LYS A 14 10.558 1.934 -5.856 1.00 0.00 O ATOM 242 CB LYS A 14 11.835 -0.693 -4.735 1.00 0.00 C ATOM 243 CG LYS A 14 13.258 -1.168 -5.034 1.00 0.00 C ATOM 244 CD LYS A 14 13.251 -2.679 -5.274 1.00 0.00 C ATOM 245 CE LYS A 14 13.728 -2.971 -6.698 1.00 0.00 C ATOM 246 NZ LYS A 14 15.211 -2.844 -6.761 1.00 0.00 N ATOM 0 H LYS A 14 10.190 0.146 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 14 12.839 0.952 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.376 -1.336 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.221 -0.762 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.649 -0.651 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.917 -0.924 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.900 -3.176 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.247 -3.077 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.425 -3.975 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.263 -2.277 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.492 -2.521 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.531 -2.155 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.647 -3.768 -6.567 1.00 0.00 H new ATOM 260 N GLY A 15 12.730 2.263 -5.929 1.00 0.00 N ATOM 261 CA GLY A 15 12.597 3.201 -7.080 1.00 0.00 C ATOM 262 C GLY A 15 12.910 2.462 -8.382 1.00 0.00 C ATOM 263 O GLY A 15 13.574 1.444 -8.385 1.00 0.00 O ATOM 0 H GLY A 15 13.684 2.110 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.587 3.609 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.277 4.044 -6.956 1.00 0.00 H new ATOM 267 N SER A 16 12.436 2.964 -9.490 1.00 0.00 N ATOM 268 CA SER A 16 12.707 2.288 -10.789 1.00 0.00 C ATOM 269 C SER A 16 13.977 2.871 -11.414 1.00 0.00 C ATOM 270 O SER A 16 13.970 3.340 -12.535 1.00 0.00 O ATOM 271 CB SER A 16 11.528 2.510 -11.735 1.00 0.00 C ATOM 272 OG SER A 16 10.838 1.281 -11.921 1.00 0.00 O ATOM 0 H SER A 16 11.873 3.813 -9.551 1.00 0.00 H new ATOM 0 HA SER A 16 12.842 1.220 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.853 3.261 -11.324 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.882 2.890 -12.693 1.00 0.00 H new ATOM 0 HG SER A 16 10.080 1.420 -12.526 1.00 0.00 H new ATOM 278 N VAL A 17 15.067 2.845 -10.698 1.00 0.00 N ATOM 279 CA VAL A 17 16.336 3.397 -11.253 1.00 0.00 C ATOM 280 C VAL A 17 17.404 2.303 -11.264 1.00 0.00 C ATOM 281 O VAL A 17 17.544 1.567 -12.221 1.00 0.00 O ATOM 282 CB VAL A 17 16.813 4.566 -10.387 1.00 0.00 C ATOM 283 CG1 VAL A 17 16.218 5.870 -10.918 1.00 0.00 C ATOM 284 CG2 VAL A 17 16.362 4.354 -8.940 1.00 0.00 C ATOM 0 H VAL A 17 15.134 2.466 -9.753 1.00 0.00 H new ATOM 0 HA VAL A 17 16.162 3.749 -12.270 1.00 0.00 H new ATOM 0 HB VAL A 17 17.901 4.620 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.557 6.702 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.542 6.025 -11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.130 5.814 -10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.703 5.188 -8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.274 4.297 -8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.787 3.425 -8.559 1.00 0.00 H new ATOM 294 N PHE A 18 18.161 2.191 -10.208 1.00 0.00 N ATOM 295 CA PHE A 18 19.221 1.144 -10.158 1.00 0.00 C ATOM 296 C PHE A 18 19.130 0.393 -8.828 1.00 0.00 C ATOM 297 O PHE A 18 20.088 0.312 -8.084 1.00 0.00 O ATOM 298 CB PHE A 18 20.595 1.806 -10.278 1.00 0.00 C ATOM 299 CG PHE A 18 20.771 2.349 -11.676 1.00 0.00 C ATOM 300 CD1 PHE A 18 20.238 3.600 -12.015 1.00 0.00 C ATOM 301 CD2 PHE A 18 21.469 1.602 -12.635 1.00 0.00 C ATOM 302 CE1 PHE A 18 20.402 4.103 -13.312 1.00 0.00 C ATOM 303 CE2 PHE A 18 21.633 2.105 -13.931 1.00 0.00 C ATOM 304 CZ PHE A 18 21.101 3.356 -14.270 1.00 0.00 C ATOM 0 H PHE A 18 18.092 2.779 -9.377 1.00 0.00 H new ATOM 0 HA PHE A 18 19.082 0.443 -10.981 1.00 0.00 H new ATOM 0 HB2 PHE A 18 20.688 2.611 -9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 18 21.380 1.083 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 18 19.701 4.176 -11.276 1.00 0.00 H new ATOM 0 HD2 PHE A 18 21.880 0.638 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.990 5.066 -13.574 1.00 0.00 H new ATOM 0 HE2 PHE A 18 22.170 1.529 -14.670 1.00 0.00 H new ATOM 0 HZ PHE A 18 21.230 3.745 -15.269 1.00 0.00 H new ATOM 314 N ASN A 19 17.987 -0.156 -8.521 1.00 0.00 N ATOM 315 CA ASN A 19 17.838 -0.900 -7.239 1.00 0.00 C ATOM 316 C ASN A 19 18.115 0.045 -6.069 1.00 0.00 C ATOM 317 O ASN A 19 19.219 0.117 -5.565 1.00 0.00 O ATOM 318 CB ASN A 19 18.835 -2.060 -7.205 1.00 0.00 C ATOM 319 CG ASN A 19 18.711 -2.803 -5.875 1.00 0.00 C ATOM 320 OD1 ASN A 19 18.259 -2.245 -4.894 1.00 0.00 O ATOM 321 ND2 ASN A 19 19.096 -4.047 -5.797 1.00 0.00 N ATOM 0 H ASN A 19 17.150 -0.121 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 19 16.824 -1.291 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.643 -2.742 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.850 -1.684 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.018 -4.551 -4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.475 -4.516 -6.620 1.00 0.00 H new ATOM 328 N THR A 20 17.124 0.775 -5.634 1.00 0.00 N ATOM 329 CA THR A 20 17.338 1.716 -4.498 1.00 0.00 C ATOM 330 C THR A 20 16.147 1.648 -3.540 1.00 0.00 C ATOM 331 O THR A 20 15.159 0.992 -3.803 1.00 0.00 O ATOM 332 CB THR A 20 17.474 3.141 -5.038 1.00 0.00 C ATOM 333 OG1 THR A 20 16.360 3.440 -5.867 1.00 0.00 O ATOM 334 CG2 THR A 20 18.764 3.259 -5.852 1.00 0.00 C ATOM 0 H THR A 20 16.178 0.761 -6.015 1.00 0.00 H new ATOM 0 HA THR A 20 18.247 1.437 -3.965 1.00 0.00 H new ATOM 0 HB THR A 20 17.507 3.844 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.445 4.353 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.860 4.274 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.618 3.030 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.734 2.557 -6.685 1.00 0.00 H new ATOM 342 N TRP A 21 16.236 2.326 -2.429 1.00 0.00 N ATOM 343 CA TRP A 21 15.117 2.310 -1.446 1.00 0.00 C ATOM 344 C TRP A 21 15.102 3.641 -0.688 1.00 0.00 C ATOM 345 O TRP A 21 15.879 3.855 0.221 1.00 0.00 O ATOM 346 CB TRP A 21 15.325 1.157 -0.459 1.00 0.00 C ATOM 347 CG TRP A 21 14.743 -0.098 -1.026 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.312 -0.855 -1.993 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.492 -0.757 -0.676 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.488 -1.933 -2.261 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.354 -1.917 -1.476 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.473 -0.462 0.249 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.244 -2.754 -1.361 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.354 -1.303 0.367 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.239 -2.447 -0.438 1.00 0.00 C ATOM 0 H TRP A 21 17.040 2.893 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 21 14.168 2.173 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.388 1.020 -0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.852 1.391 0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.256 -0.651 -2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.694 -2.652 -2.955 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.552 0.417 0.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.161 -3.634 -1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.578 -1.068 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.376 -3.089 -0.345 1.00 0.00 H new ATOM 366 N LYS A 22 14.231 4.542 -1.059 1.00 0.00 N ATOM 367 CA LYS A 22 14.184 5.861 -0.361 1.00 0.00 C ATOM 368 C LYS A 22 12.778 6.109 0.204 1.00 0.00 C ATOM 369 O LYS A 22 11.795 5.723 -0.399 1.00 0.00 O ATOM 370 CB LYS A 22 14.535 6.970 -1.355 1.00 0.00 C ATOM 371 CG LYS A 22 15.651 6.491 -2.285 1.00 0.00 C ATOM 372 CD LYS A 22 16.066 7.631 -3.219 1.00 0.00 C ATOM 373 CE LYS A 22 16.468 7.057 -4.579 1.00 0.00 C ATOM 374 NZ LYS A 22 17.924 7.277 -4.802 1.00 0.00 N ATOM 0 H LYS A 22 13.553 4.423 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 22 14.901 5.858 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.655 7.243 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.853 7.865 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.508 6.157 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.310 5.635 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.243 8.335 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.899 8.185 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.241 5.992 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.892 7.535 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.196 6.887 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.128 8.297 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.466 6.802 -4.052 1.00 0.00 H new ATOM 388 N PRO A 23 12.725 6.755 1.347 1.00 0.00 N ATOM 389 CA PRO A 23 11.460 7.069 2.003 1.00 0.00 C ATOM 390 C PRO A 23 10.519 7.798 1.035 1.00 0.00 C ATOM 391 O PRO A 23 10.927 8.272 -0.006 1.00 0.00 O ATOM 392 CB PRO A 23 11.842 7.986 3.160 1.00 0.00 C ATOM 393 CG PRO A 23 13.336 7.632 3.435 1.00 0.00 C ATOM 394 CD PRO A 23 13.929 7.210 2.061 1.00 0.00 C ATOM 0 HA PRO A 23 10.936 6.174 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.722 9.036 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.220 7.805 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.872 8.488 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.419 6.824 4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.417 8.041 1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.671 6.417 2.161 1.00 0.00 H new ATOM 402 N MET A 24 9.263 7.895 1.379 1.00 0.00 N ATOM 403 CA MET A 24 8.292 8.591 0.492 1.00 0.00 C ATOM 404 C MET A 24 6.944 8.703 1.208 1.00 0.00 C ATOM 405 O MET A 24 6.723 8.083 2.230 1.00 0.00 O ATOM 406 CB MET A 24 8.125 7.795 -0.807 1.00 0.00 C ATOM 407 CG MET A 24 7.140 6.635 -0.612 1.00 0.00 C ATOM 408 SD MET A 24 5.623 6.974 -1.537 1.00 0.00 S ATOM 409 CE MET A 24 5.907 5.793 -2.878 1.00 0.00 C ATOM 0 H MET A 24 8.868 7.520 2.241 1.00 0.00 H new ATOM 0 HA MET A 24 8.660 9.589 0.256 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.767 8.453 -1.599 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.092 7.407 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.587 5.702 -0.955 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.913 6.510 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.549 6.215 -3.817 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.974 5.583 -2.958 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.370 4.868 -2.668 1.00 0.00 H new ATOM 419 N TRP A 25 6.032 9.469 0.673 1.00 0.00 N ATOM 420 CA TRP A 25 4.702 9.586 1.325 1.00 0.00 C ATOM 421 C TRP A 25 3.792 8.511 0.766 1.00 0.00 C ATOM 422 O TRP A 25 3.834 8.194 -0.406 1.00 0.00 O ATOM 423 CB TRP A 25 4.091 10.957 1.050 1.00 0.00 C ATOM 424 CG TRP A 25 2.921 11.170 1.959 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.622 11.161 1.577 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.924 11.416 3.393 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.828 11.398 2.689 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.586 11.562 3.831 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.952 11.530 4.346 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.281 11.814 5.171 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.651 11.781 5.694 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.316 11.925 6.105 1.00 0.00 C ATOM 0 H TRP A 25 6.151 10.014 -0.181 1.00 0.00 H new ATOM 0 HA TRP A 25 4.817 9.466 2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.835 11.738 1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.774 11.024 0.009 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.263 10.996 0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.191 11.445 2.666 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.982 11.424 4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.253 11.922 5.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.449 11.864 6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.089 12.121 7.142 1.00 0.00 H new ATOM 443 N VAL A 26 2.983 7.931 1.593 1.00 0.00 N ATOM 444 CA VAL A 26 2.089 6.862 1.098 1.00 0.00 C ATOM 445 C VAL A 26 0.816 6.814 1.942 1.00 0.00 C ATOM 446 O VAL A 26 0.860 6.780 3.156 1.00 0.00 O ATOM 447 CB VAL A 26 2.847 5.534 1.157 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.666 5.463 2.444 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.867 4.358 1.099 1.00 0.00 C ATOM 0 H VAL A 26 2.901 8.149 2.586 1.00 0.00 H new ATOM 0 HA VAL A 26 1.792 7.058 0.068 1.00 0.00 H new ATOM 0 HB VAL A 26 3.517 5.474 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.204 4.516 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.380 6.287 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.000 5.536 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.421 3.420 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.182 4.414 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.300 4.402 0.169 1.00 0.00 H new ATOM 459 N VAL A 27 -0.321 6.818 1.302 1.00 0.00 N ATOM 460 CA VAL A 27 -1.605 6.782 2.052 1.00 0.00 C ATOM 461 C VAL A 27 -2.454 5.610 1.558 1.00 0.00 C ATOM 462 O VAL A 27 -2.931 5.607 0.439 1.00 0.00 O ATOM 463 CB VAL A 27 -2.364 8.090 1.816 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.697 9.218 2.608 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.328 8.435 0.327 1.00 0.00 C ATOM 0 H VAL A 27 -0.415 6.845 0.287 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.401 6.660 3.116 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.397 7.973 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.237 10.150 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.713 8.976 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.665 9.333 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.868 9.366 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.293 8.551 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.797 7.634 -0.244 1.00 0.00 H new ATOM 475 N LEU A 28 -2.654 4.616 2.379 1.00 0.00 N ATOM 476 CA LEU A 28 -3.482 3.457 1.942 1.00 0.00 C ATOM 477 C LEU A 28 -4.954 3.761 2.224 1.00 0.00 C ATOM 478 O LEU A 28 -5.368 3.885 3.360 1.00 0.00 O ATOM 479 CB LEU A 28 -3.053 2.192 2.695 1.00 0.00 C ATOM 480 CG LEU A 28 -3.545 2.248 4.142 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.893 1.530 4.252 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.525 1.552 5.046 1.00 0.00 C ATOM 0 H LEU A 28 -2.283 4.556 3.327 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.342 3.290 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.458 1.310 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.967 2.099 2.675 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.662 3.287 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.243 1.570 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.620 2.019 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.777 0.490 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.870 1.589 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.414 0.513 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.563 2.058 4.967 1.00 0.00 H new ATOM 494 N LEU A 29 -5.743 3.896 1.194 1.00 0.00 N ATOM 495 CA LEU A 29 -7.186 4.206 1.395 1.00 0.00 C ATOM 496 C LEU A 29 -7.991 2.905 1.434 1.00 0.00 C ATOM 497 O LEU A 29 -7.565 1.883 0.933 1.00 0.00 O ATOM 498 CB LEU A 29 -7.678 5.083 0.241 1.00 0.00 C ATOM 499 CG LEU A 29 -6.756 6.296 0.092 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.973 6.182 -1.218 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.601 7.572 0.070 1.00 0.00 C ATOM 0 H LEU A 29 -5.450 3.805 0.221 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.319 4.736 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.693 4.509 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.700 5.411 0.430 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.060 6.332 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.316 7.045 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.376 5.270 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.669 6.149 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.949 8.439 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.294 7.535 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.163 7.652 1.001 1.00 0.00 H new ATOM 513 N GLU A 30 -9.152 2.937 2.028 1.00 0.00 N ATOM 514 CA GLU A 30 -9.987 1.706 2.107 1.00 0.00 C ATOM 515 C GLU A 30 -10.553 1.378 0.725 1.00 0.00 C ATOM 516 O GLU A 30 -10.927 0.255 0.449 1.00 0.00 O ATOM 517 CB GLU A 30 -11.140 1.934 3.088 1.00 0.00 C ATOM 518 CG GLU A 30 -11.001 0.976 4.274 1.00 0.00 C ATOM 519 CD GLU A 30 -12.066 -0.118 4.174 1.00 0.00 C ATOM 520 OE1 GLU A 30 -11.865 -1.044 3.405 1.00 0.00 O ATOM 521 OE2 GLU A 30 -13.064 -0.011 4.868 1.00 0.00 O ATOM 0 H GLU A 30 -9.559 3.765 2.463 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.372 0.875 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.134 2.966 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.095 1.773 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.006 0.530 4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.112 1.522 5.211 1.00 0.00 H new ATOM 528 N ASP A 31 -10.619 2.345 -0.147 1.00 0.00 N ATOM 529 CA ASP A 31 -11.161 2.079 -1.509 1.00 0.00 C ATOM 530 C ASP A 31 -10.009 2.019 -2.512 1.00 0.00 C ATOM 531 O ASP A 31 -10.211 2.052 -3.710 1.00 0.00 O ATOM 532 CB ASP A 31 -12.129 3.197 -1.903 1.00 0.00 C ATOM 533 CG ASP A 31 -11.347 4.491 -2.139 1.00 0.00 C ATOM 534 OD1 ASP A 31 -10.250 4.600 -1.618 1.00 0.00 O ATOM 535 OD2 ASP A 31 -11.859 5.352 -2.836 1.00 0.00 O ATOM 0 H ASP A 31 -10.322 3.306 0.024 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.692 1.127 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.674 2.919 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.869 3.345 -1.117 1.00 0.00 H new ATOM 540 N GLY A 32 -8.800 1.931 -2.030 1.00 0.00 N ATOM 541 CA GLY A 32 -7.631 1.868 -2.951 1.00 0.00 C ATOM 542 C GLY A 32 -6.380 2.327 -2.203 1.00 0.00 C ATOM 543 O GLY A 32 -6.390 2.481 -1.000 1.00 0.00 O ATOM 0 H GLY A 32 -8.571 1.900 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.497 0.851 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.803 2.502 -3.821 1.00 0.00 H new ATOM 547 N ILE A 33 -5.300 2.546 -2.904 1.00 0.00 N ATOM 548 CA ILE A 33 -4.054 2.995 -2.224 1.00 0.00 C ATOM 549 C ILE A 33 -3.236 3.870 -3.177 1.00 0.00 C ATOM 550 O ILE A 33 -3.009 3.518 -4.318 1.00 0.00 O ATOM 551 CB ILE A 33 -3.224 1.776 -1.818 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.954 1.004 -0.714 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.861 2.235 -1.298 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.736 -0.155 -1.332 1.00 0.00 C ATOM 0 H ILE A 33 -5.228 2.433 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.316 3.570 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.085 1.130 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.237 0.625 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.632 1.669 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.270 1.366 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.339 2.784 -2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.001 2.883 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.255 -0.704 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.464 0.235 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.048 -0.824 -1.848 1.00 0.00 H new ATOM 566 N GLU A 34 -2.790 5.005 -2.718 1.00 0.00 N ATOM 567 CA GLU A 34 -1.985 5.902 -3.595 1.00 0.00 C ATOM 568 C GLU A 34 -0.876 6.550 -2.767 1.00 0.00 C ATOM 569 O GLU A 34 -1.131 7.206 -1.776 1.00 0.00 O ATOM 570 CB GLU A 34 -2.887 6.991 -4.181 1.00 0.00 C ATOM 571 CG GLU A 34 -3.757 7.587 -3.072 1.00 0.00 C ATOM 572 CD GLU A 34 -5.107 8.010 -3.653 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.755 7.174 -4.262 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.471 9.161 -3.480 1.00 0.00 O ATOM 0 H GLU A 34 -2.948 5.352 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.546 5.322 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.281 7.771 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.517 6.573 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.904 6.855 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.257 8.446 -2.625 1.00 0.00 H new ATOM 581 N PHE A 35 0.356 6.372 -3.158 1.00 0.00 N ATOM 582 CA PHE A 35 1.471 6.979 -2.380 1.00 0.00 C ATOM 583 C PHE A 35 2.274 7.924 -3.279 1.00 0.00 C ATOM 584 O PHE A 35 2.458 7.676 -4.454 1.00 0.00 O ATOM 585 CB PHE A 35 2.384 5.872 -1.845 1.00 0.00 C ATOM 586 CG PHE A 35 2.611 4.833 -2.914 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.390 5.144 -4.036 1.00 0.00 C ATOM 588 CD2 PHE A 35 2.051 3.556 -2.783 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.609 4.180 -5.027 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.268 2.590 -3.775 1.00 0.00 C ATOM 591 CZ PHE A 35 3.048 2.903 -4.897 1.00 0.00 C ATOM 0 H PHE A 35 0.637 5.835 -3.978 1.00 0.00 H new ATOM 0 HA PHE A 35 1.062 7.545 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.337 6.296 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.934 5.410 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.822 6.129 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.452 3.316 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.210 4.421 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.835 1.606 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.217 2.159 -5.662 1.00 0.00 H new ATOM 601 N TYR A 36 2.757 9.004 -2.729 1.00 0.00 N ATOM 602 CA TYR A 36 3.555 9.967 -3.539 1.00 0.00 C ATOM 603 C TYR A 36 4.862 10.259 -2.801 1.00 0.00 C ATOM 604 O TYR A 36 5.319 9.470 -1.999 1.00 0.00 O ATOM 605 CB TYR A 36 2.778 11.279 -3.717 1.00 0.00 C ATOM 606 CG TYR A 36 1.289 11.027 -3.647 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.695 10.643 -2.437 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.499 11.185 -4.794 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.686 10.416 -2.375 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.882 10.957 -4.732 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.474 10.572 -3.524 1.00 0.00 C ATOM 612 OH TYR A 36 -2.835 10.349 -3.462 1.00 0.00 O ATOM 0 H TYR A 36 2.633 9.262 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 36 3.756 9.537 -4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.069 11.989 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.031 11.731 -4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.302 10.522 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.955 11.483 -5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.144 10.121 -1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.490 11.078 -5.617 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.232 10.502 -4.345 1.00 0.00 H new ATOM 622 N LYS A 37 5.458 11.391 -3.050 1.00 0.00 N ATOM 623 CA LYS A 37 6.722 11.733 -2.343 1.00 0.00 C ATOM 624 C LYS A 37 6.372 12.529 -1.084 1.00 0.00 C ATOM 625 O LYS A 37 6.805 12.214 0.007 1.00 0.00 O ATOM 626 CB LYS A 37 7.612 12.578 -3.258 1.00 0.00 C ATOM 627 CG LYS A 37 9.053 12.071 -3.181 1.00 0.00 C ATOM 628 CD LYS A 37 9.921 12.840 -4.179 1.00 0.00 C ATOM 629 CE LYS A 37 11.260 12.120 -4.352 1.00 0.00 C ATOM 630 NZ LYS A 37 12.136 12.913 -5.261 1.00 0.00 N ATOM 0 H LYS A 37 5.125 12.093 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 37 7.258 10.823 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.251 12.524 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.568 13.625 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.441 12.200 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.086 11.004 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.410 12.916 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.086 13.858 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.744 11.991 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.099 11.123 -4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.046 12.424 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.674 13.014 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.299 13.855 -4.851 1.00 0.00 H new ATOM 644 N LYS A 38 5.570 13.550 -1.230 1.00 0.00 N ATOM 645 CA LYS A 38 5.163 14.361 -0.049 1.00 0.00 C ATOM 646 C LYS A 38 3.751 13.941 0.361 1.00 0.00 C ATOM 647 O LYS A 38 3.197 13.010 -0.185 1.00 0.00 O ATOM 648 CB LYS A 38 5.171 15.847 -0.416 1.00 0.00 C ATOM 649 CG LYS A 38 6.570 16.423 -0.188 1.00 0.00 C ATOM 650 CD LYS A 38 7.192 16.802 -1.532 1.00 0.00 C ATOM 651 CE LYS A 38 8.652 16.347 -1.564 1.00 0.00 C ATOM 652 NZ LYS A 38 9.376 16.922 -0.395 1.00 0.00 N ATOM 0 H LYS A 38 5.179 13.857 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 38 5.858 14.198 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.879 15.976 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.442 16.386 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.513 17.299 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.197 15.691 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.637 16.336 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.132 17.880 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.706 15.259 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.124 16.669 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.382 17.036 -0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.970 17.849 -0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.282 16.283 0.420 1.00 0.00 H new ATOM 666 N LYS A 39 3.159 14.613 1.311 1.00 0.00 N ATOM 667 CA LYS A 39 1.782 14.229 1.736 1.00 0.00 C ATOM 668 C LYS A 39 0.925 13.942 0.497 1.00 0.00 C ATOM 669 O LYS A 39 -0.022 13.183 0.550 1.00 0.00 O ATOM 670 CB LYS A 39 1.161 15.358 2.565 1.00 0.00 C ATOM 671 CG LYS A 39 -0.361 15.174 2.633 1.00 0.00 C ATOM 672 CD LYS A 39 -0.889 15.761 3.942 1.00 0.00 C ATOM 673 CE LYS A 39 -0.057 15.220 5.099 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.949 14.858 6.236 1.00 0.00 N ATOM 0 H LYS A 39 3.565 15.406 1.808 1.00 0.00 H new ATOM 0 HA LYS A 39 1.827 13.330 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.582 15.358 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.401 16.323 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.836 15.666 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.613 14.115 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.835 16.849 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.938 15.497 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.508 14.346 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.669 15.968 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.377 14.490 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.469 15.702 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.625 14.130 5.929 1.00 0.00 H new ATOM 688 N SER A 40 1.258 14.531 -0.621 1.00 0.00 N ATOM 689 CA SER A 40 0.471 14.276 -1.861 1.00 0.00 C ATOM 690 C SER A 40 1.382 14.427 -3.079 1.00 0.00 C ATOM 691 O SER A 40 1.392 13.595 -3.963 1.00 0.00 O ATOM 692 CB SER A 40 -0.673 15.285 -1.971 1.00 0.00 C ATOM 693 OG SER A 40 -1.207 15.537 -0.677 1.00 0.00 O ATOM 0 H SER A 40 2.040 15.177 -0.728 1.00 0.00 H new ATOM 0 HA SER A 40 0.063 13.266 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.313 16.213 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.451 14.898 -2.629 1.00 0.00 H new ATOM 0 HG SER A 40 -1.939 16.185 -0.746 1.00 0.00 H new ATOM 699 N ASP A 41 2.130 15.500 -3.135 1.00 0.00 N ATOM 700 CA ASP A 41 3.040 15.745 -4.291 1.00 0.00 C ATOM 701 C ASP A 41 2.232 16.007 -5.567 1.00 0.00 C ATOM 702 O ASP A 41 2.785 16.362 -6.588 1.00 0.00 O ATOM 703 CB ASP A 41 3.958 14.536 -4.472 1.00 0.00 C ATOM 704 CG ASP A 41 4.580 14.549 -5.871 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.002 15.610 -6.301 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.626 13.497 -6.488 1.00 0.00 O ATOM 0 H ASP A 41 2.148 16.225 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 41 3.645 16.629 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.744 14.551 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.392 13.616 -4.326 1.00 0.00 H new ATOM 711 N ASN A 42 0.934 15.855 -5.515 1.00 0.00 N ATOM 712 CA ASN A 42 0.093 16.102 -6.716 1.00 0.00 C ATOM 713 C ASN A 42 0.158 14.895 -7.664 1.00 0.00 C ATOM 714 O ASN A 42 -0.834 14.505 -8.247 1.00 0.00 O ATOM 715 CB ASN A 42 0.588 17.354 -7.444 1.00 0.00 C ATOM 716 CG ASN A 42 0.959 18.427 -6.419 1.00 0.00 C ATOM 717 OD1 ASN A 42 0.403 18.470 -5.339 1.00 0.00 O ATOM 718 ND2 ASN A 42 1.880 19.303 -6.713 1.00 0.00 N ATOM 0 H ASN A 42 0.419 15.568 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.940 16.250 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.453 17.111 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.186 17.728 -8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.133 20.023 -6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.347 19.267 -7.619 1.00 0.00 H new ATOM 725 N SER A 43 1.316 14.308 -7.839 1.00 0.00 N ATOM 726 CA SER A 43 1.434 13.153 -8.757 1.00 0.00 C ATOM 727 C SER A 43 1.860 11.901 -7.974 1.00 0.00 C ATOM 728 O SER A 43 2.922 11.883 -7.384 1.00 0.00 O ATOM 729 CB SER A 43 2.501 13.482 -9.790 1.00 0.00 C ATOM 730 OG SER A 43 3.334 14.518 -9.288 1.00 0.00 O ATOM 0 H SER A 43 2.183 14.586 -7.380 1.00 0.00 H new ATOM 0 HA SER A 43 0.475 12.959 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.096 12.596 -10.011 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.035 13.794 -10.725 1.00 0.00 H new ATOM 0 HG SER A 43 3.785 14.210 -8.474 1.00 0.00 H new ATOM 736 N PRO A 44 1.026 10.888 -7.995 1.00 0.00 N ATOM 737 CA PRO A 44 1.315 9.641 -7.299 1.00 0.00 C ATOM 738 C PRO A 44 2.369 8.834 -8.063 1.00 0.00 C ATOM 739 O PRO A 44 2.408 8.837 -9.277 1.00 0.00 O ATOM 740 CB PRO A 44 -0.015 8.899 -7.284 1.00 0.00 C ATOM 741 CG PRO A 44 -0.755 9.456 -8.539 1.00 0.00 C ATOM 742 CD PRO A 44 -0.262 10.923 -8.706 1.00 0.00 C ATOM 0 HA PRO A 44 1.712 9.805 -6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.126 7.820 -7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.574 9.094 -6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.525 8.863 -9.424 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.836 9.420 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.144 11.198 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.954 11.640 -8.264 1.00 0.00 H new ATOM 750 N LYS A 45 3.218 8.136 -7.358 1.00 0.00 N ATOM 751 CA LYS A 45 4.261 7.320 -8.040 1.00 0.00 C ATOM 752 C LYS A 45 3.708 5.917 -8.294 1.00 0.00 C ATOM 753 O LYS A 45 4.041 5.270 -9.267 1.00 0.00 O ATOM 754 CB LYS A 45 5.503 7.221 -7.149 1.00 0.00 C ATOM 755 CG LYS A 45 5.755 8.565 -6.462 1.00 0.00 C ATOM 756 CD LYS A 45 6.412 9.530 -7.450 1.00 0.00 C ATOM 757 CE LYS A 45 7.880 9.727 -7.071 1.00 0.00 C ATOM 758 NZ LYS A 45 8.100 11.142 -6.660 1.00 0.00 N ATOM 0 H LYS A 45 3.234 8.096 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 45 4.533 7.790 -8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.364 6.440 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.370 6.939 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.815 8.982 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.397 8.426 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.337 9.136 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.891 10.488 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.150 9.054 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.522 9.478 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.939 11.518 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.268 11.711 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.246 11.186 -5.631 1.00 0.00 H new ATOM 772 N GLY A 46 2.860 5.446 -7.421 1.00 0.00 N ATOM 773 CA GLY A 46 2.275 4.088 -7.599 1.00 0.00 C ATOM 774 C GLY A 46 0.936 4.018 -6.861 1.00 0.00 C ATOM 775 O GLY A 46 0.797 4.514 -5.760 1.00 0.00 O ATOM 0 H GLY A 46 2.546 5.946 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.132 3.876 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.957 3.331 -7.212 1.00 0.00 H new ATOM 779 N MET A 47 -0.052 3.411 -7.461 1.00 0.00 N ATOM 780 CA MET A 47 -1.381 3.317 -6.794 1.00 0.00 C ATOM 781 C MET A 47 -1.879 1.872 -6.838 1.00 0.00 C ATOM 782 O MET A 47 -2.091 1.311 -7.895 1.00 0.00 O ATOM 783 CB MET A 47 -2.382 4.219 -7.522 1.00 0.00 C ATOM 784 CG MET A 47 -1.733 5.571 -7.830 1.00 0.00 C ATOM 785 SD MET A 47 -2.447 6.253 -9.347 1.00 0.00 S ATOM 786 CE MET A 47 -4.164 5.772 -9.034 1.00 0.00 C ATOM 0 H MET A 47 0.004 2.977 -8.382 1.00 0.00 H new ATOM 0 HA MET A 47 -1.286 3.636 -5.756 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.709 3.743 -8.447 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.270 4.363 -6.907 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.891 6.259 -7.000 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.656 5.451 -7.944 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.834 6.450 -9.562 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.327 4.753 -9.387 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.367 5.822 -7.964 1.00 0.00 H new ATOM 796 N ILE A 48 -2.076 1.266 -5.699 1.00 0.00 N ATOM 797 CA ILE A 48 -2.571 -0.139 -5.681 1.00 0.00 C ATOM 798 C ILE A 48 -4.106 -0.125 -5.658 1.00 0.00 C ATOM 799 O ILE A 48 -4.699 0.554 -4.843 1.00 0.00 O ATOM 800 CB ILE A 48 -2.044 -0.846 -4.430 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.517 -0.748 -4.395 1.00 0.00 C ATOM 802 CG2 ILE A 48 -2.458 -2.318 -4.460 1.00 0.00 C ATOM 803 CD1 ILE A 48 -0.085 0.081 -3.184 1.00 0.00 C ATOM 0 H ILE A 48 -1.916 1.683 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.222 -0.669 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.461 -0.370 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.079 -1.745 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.151 -0.288 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.082 -2.820 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.545 -2.390 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.042 -2.795 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.003 0.150 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.511 1.082 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.438 -0.398 -2.271 1.00 0.00 H new ATOM 815 N PRO A 49 -4.709 -0.866 -6.557 1.00 0.00 N ATOM 816 CA PRO A 49 -6.162 -0.931 -6.650 1.00 0.00 C ATOM 817 C PRO A 49 -6.741 -1.708 -5.465 1.00 0.00 C ATOM 818 O PRO A 49 -6.142 -2.641 -4.969 1.00 0.00 O ATOM 819 CB PRO A 49 -6.427 -1.668 -7.959 1.00 0.00 C ATOM 820 CG PRO A 49 -5.136 -2.520 -8.165 1.00 0.00 C ATOM 821 CD PRO A 49 -3.982 -1.688 -7.538 1.00 0.00 C ATOM 0 HA PRO A 49 -6.626 0.055 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.316 -2.296 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.586 -0.975 -8.785 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.226 -3.492 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.954 -2.707 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.230 -2.321 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.466 -1.079 -8.280 1.00 0.00 H new ATOM 829 N LEU A 50 -7.909 -1.332 -5.014 1.00 0.00 N ATOM 830 CA LEU A 50 -8.533 -2.051 -3.867 1.00 0.00 C ATOM 831 C LEU A 50 -9.333 -3.249 -4.388 1.00 0.00 C ATOM 832 O LEU A 50 -10.367 -3.598 -3.851 1.00 0.00 O ATOM 833 CB LEU A 50 -9.470 -1.096 -3.122 1.00 0.00 C ATOM 834 CG LEU A 50 -9.112 -1.075 -1.634 1.00 0.00 C ATOM 835 CD1 LEU A 50 -9.485 -2.415 -0.998 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.609 -0.835 -1.473 1.00 0.00 C ATOM 0 H LEU A 50 -8.457 -0.558 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.755 -2.403 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.388 -0.092 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.505 -1.412 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.663 -0.274 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.229 -2.399 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.556 -2.586 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.936 -3.217 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.354 -0.820 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.058 -1.635 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.343 0.121 -1.924 1.00 0.00 H new ATOM 848 N LYS A 51 -8.865 -3.882 -5.430 1.00 0.00 N ATOM 849 CA LYS A 51 -9.598 -5.055 -5.984 1.00 0.00 C ATOM 850 C LYS A 51 -9.192 -6.315 -5.216 1.00 0.00 C ATOM 851 O LYS A 51 -9.874 -6.748 -4.309 1.00 0.00 O ATOM 852 CB LYS A 51 -9.244 -5.225 -7.462 1.00 0.00 C ATOM 853 CG LYS A 51 -9.760 -4.021 -8.253 1.00 0.00 C ATOM 854 CD LYS A 51 -9.817 -4.373 -9.741 1.00 0.00 C ATOM 855 CE LYS A 51 -8.504 -3.966 -10.413 1.00 0.00 C ATOM 856 NZ LYS A 51 -8.675 -3.995 -11.893 1.00 0.00 N ATOM 0 H LYS A 51 -8.006 -3.637 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.671 -4.895 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.164 -5.315 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.685 -6.144 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.750 -3.737 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.107 -3.163 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.986 -5.443 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.654 -3.861 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.212 -2.967 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.705 -4.644 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.783 -3.719 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.935 -4.956 -12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.426 -3.331 -12.169 1.00 0.00 H new ATOM 870 N GLY A 52 -8.085 -6.906 -5.573 1.00 0.00 N ATOM 871 CA GLY A 52 -7.634 -8.138 -4.864 1.00 0.00 C ATOM 872 C GLY A 52 -6.107 -8.215 -4.888 1.00 0.00 C ATOM 873 O GLY A 52 -5.530 -9.125 -5.451 1.00 0.00 O ATOM 0 H GLY A 52 -7.473 -6.589 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.991 -8.128 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.060 -9.021 -5.341 1.00 0.00 H new ATOM 877 N SER A 53 -5.445 -7.268 -4.281 1.00 0.00 N ATOM 878 CA SER A 53 -3.954 -7.288 -4.270 1.00 0.00 C ATOM 879 C SER A 53 -3.468 -8.481 -3.454 1.00 0.00 C ATOM 880 O SER A 53 -4.247 -9.288 -2.988 1.00 0.00 O ATOM 881 CB SER A 53 -3.433 -5.984 -3.656 1.00 0.00 C ATOM 882 OG SER A 53 -2.474 -6.279 -2.648 1.00 0.00 O ATOM 0 H SER A 53 -5.872 -6.481 -3.792 1.00 0.00 H new ATOM 0 HA SER A 53 -3.579 -7.378 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.983 -5.361 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.260 -5.415 -3.230 1.00 0.00 H new ATOM 0 HG SER A 53 -2.378 -5.507 -2.052 1.00 0.00 H new ATOM 888 N THR A 54 -2.181 -8.609 -3.286 1.00 0.00 N ATOM 889 CA THR A 54 -1.649 -9.758 -2.517 1.00 0.00 C ATOM 890 C THR A 54 -0.539 -9.275 -1.580 1.00 0.00 C ATOM 891 O THR A 54 0.509 -8.848 -2.015 1.00 0.00 O ATOM 892 CB THR A 54 -1.095 -10.784 -3.503 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.257 -10.293 -4.826 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.861 -12.094 -3.355 1.00 0.00 C ATOM 0 H THR A 54 -1.478 -7.965 -3.650 1.00 0.00 H new ATOM 0 HA THR A 54 -2.439 -10.212 -1.918 1.00 0.00 H new ATOM 0 HB THR A 54 -0.038 -10.955 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.030 -9.340 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.467 -12.828 -4.058 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.747 -12.469 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.917 -11.923 -3.563 1.00 0.00 H new ATOM 902 N LEU A 55 -0.762 -9.336 -0.296 1.00 0.00 N ATOM 903 CA LEU A 55 0.278 -8.870 0.664 1.00 0.00 C ATOM 904 C LEU A 55 1.218 -10.032 1.000 1.00 0.00 C ATOM 905 O LEU A 55 0.808 -11.046 1.528 1.00 0.00 O ATOM 906 CB LEU A 55 -0.406 -8.372 1.944 1.00 0.00 C ATOM 907 CG LEU A 55 0.643 -7.984 2.996 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.166 -9.242 3.689 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.809 -7.252 2.327 1.00 0.00 C ATOM 0 H LEU A 55 -1.619 -9.688 0.130 1.00 0.00 H new ATOM 0 HA LEU A 55 0.854 -8.059 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.037 -7.513 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.058 -9.150 2.341 1.00 0.00 H new ATOM 0 HG LEU A 55 0.180 -7.327 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.910 -8.964 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.340 -9.759 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.622 -9.902 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.548 -6.980 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.270 -7.904 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.440 -6.350 1.839 1.00 0.00 H new ATOM 921 N THR A 56 2.479 -9.889 0.688 1.00 0.00 N ATOM 922 CA THR A 56 3.452 -10.979 0.976 1.00 0.00 C ATOM 923 C THR A 56 4.394 -10.545 2.107 1.00 0.00 C ATOM 924 O THR A 56 4.976 -9.480 2.071 1.00 0.00 O ATOM 925 CB THR A 56 4.264 -11.270 -0.292 1.00 0.00 C ATOM 926 OG1 THR A 56 3.449 -11.972 -1.219 1.00 0.00 O ATOM 927 CG2 THR A 56 5.491 -12.117 0.051 1.00 0.00 C ATOM 0 H THR A 56 2.877 -9.061 0.245 1.00 0.00 H new ATOM 0 HA THR A 56 2.918 -11.878 1.285 1.00 0.00 H new ATOM 0 HB THR A 56 4.595 -10.328 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.964 -12.158 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.060 -12.317 -0.857 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.118 -11.578 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.170 -13.060 0.494 1.00 0.00 H new ATOM 935 N SER A 57 4.547 -11.371 3.108 1.00 0.00 N ATOM 936 CA SER A 57 5.450 -11.020 4.242 1.00 0.00 C ATOM 937 C SER A 57 6.030 -12.307 4.844 1.00 0.00 C ATOM 938 O SER A 57 5.293 -13.166 5.286 1.00 0.00 O ATOM 939 CB SER A 57 4.656 -10.269 5.312 1.00 0.00 C ATOM 940 OG SER A 57 4.597 -8.889 4.972 1.00 0.00 O ATOM 0 H SER A 57 4.084 -12.276 3.189 1.00 0.00 H new ATOM 0 HA SER A 57 6.261 -10.387 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.649 -10.680 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.127 -10.395 6.287 1.00 0.00 H new ATOM 0 HG SER A 57 4.752 -8.782 4.010 1.00 0.00 H new ATOM 946 N PRO A 58 7.337 -12.398 4.844 1.00 0.00 N ATOM 947 CA PRO A 58 8.196 -11.353 4.308 1.00 0.00 C ATOM 948 C PRO A 58 8.106 -11.324 2.780 1.00 0.00 C ATOM 949 O PRO A 58 7.273 -11.977 2.187 1.00 0.00 O ATOM 950 CB PRO A 58 9.588 -11.732 4.753 1.00 0.00 C ATOM 951 CG PRO A 58 9.505 -13.279 4.951 1.00 0.00 C ATOM 952 CD PRO A 58 8.038 -13.568 5.386 1.00 0.00 C ATOM 0 HA PRO A 58 7.911 -10.361 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.334 -11.463 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.865 -11.224 5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.751 -13.806 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.212 -13.616 5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.662 -14.502 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.938 -13.641 6.469 1.00 0.00 H new ATOM 960 N CYS A 59 8.953 -10.566 2.140 1.00 0.00 N ATOM 961 CA CYS A 59 8.906 -10.493 0.654 1.00 0.00 C ATOM 962 C CYS A 59 9.996 -11.387 0.048 1.00 0.00 C ATOM 963 O CYS A 59 9.831 -12.585 -0.063 1.00 0.00 O ATOM 964 CB CYS A 59 9.114 -9.044 0.215 1.00 0.00 C ATOM 965 SG CYS A 59 9.634 -9.002 -1.518 1.00 0.00 S ATOM 0 H CYS A 59 9.674 -9.995 2.581 1.00 0.00 H new ATOM 0 HA CYS A 59 7.935 -10.843 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.190 -8.479 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.867 -8.568 0.843 1.00 0.00 H new ATOM 0 HG CYS A 59 10.884 -8.650 -1.588 1.00 0.00 H new ATOM 971 N GLN A 60 11.105 -10.820 -0.351 1.00 0.00 N ATOM 972 CA GLN A 60 12.186 -11.651 -0.953 1.00 0.00 C ATOM 973 C GLN A 60 13.550 -11.115 -0.522 1.00 0.00 C ATOM 974 O GLN A 60 13.707 -10.598 0.565 1.00 0.00 O ATOM 975 CB GLN A 60 12.065 -11.609 -2.479 1.00 0.00 C ATOM 976 CG GLN A 60 12.208 -13.025 -3.048 1.00 0.00 C ATOM 977 CD GLN A 60 13.394 -13.733 -2.389 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.508 -13.648 -2.865 1.00 0.00 O ATOM 979 NE2 GLN A 60 13.200 -14.434 -1.306 1.00 0.00 N ATOM 0 H GLN A 60 11.307 -9.822 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 60 12.088 -12.681 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.102 -11.187 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.834 -10.959 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.293 -13.591 -2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.354 -12.980 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.265 -14.506 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.984 -14.910 -0.860 1.00 0.00 H new ATOM 988 N ASP A 61 14.542 -11.229 -1.365 1.00 0.00 N ATOM 989 CA ASP A 61 15.892 -10.719 -0.999 1.00 0.00 C ATOM 990 C ASP A 61 15.756 -9.329 -0.378 1.00 0.00 C ATOM 991 O ASP A 61 16.614 -8.880 0.354 1.00 0.00 O ATOM 992 CB ASP A 61 16.762 -10.637 -2.254 1.00 0.00 C ATOM 993 CG ASP A 61 17.413 -11.997 -2.514 1.00 0.00 C ATOM 994 OD1 ASP A 61 17.634 -12.719 -1.556 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.679 -12.293 -3.667 1.00 0.00 O ATOM 0 H ASP A 61 14.474 -11.653 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 61 16.357 -11.394 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.156 -10.342 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.529 -9.873 -2.128 1.00 0.00 H new ATOM 1000 N PHE A 62 14.680 -8.643 -0.659 1.00 0.00 N ATOM 1001 CA PHE A 62 14.494 -7.285 -0.077 1.00 0.00 C ATOM 1002 C PHE A 62 13.766 -7.412 1.262 1.00 0.00 C ATOM 1003 O PHE A 62 14.149 -6.815 2.248 1.00 0.00 O ATOM 1004 CB PHE A 62 13.661 -6.426 -1.031 1.00 0.00 C ATOM 1005 CG PHE A 62 14.574 -5.698 -1.989 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.651 -4.946 -1.500 1.00 0.00 C ATOM 1007 CD2 PHE A 62 14.343 -5.776 -3.370 1.00 0.00 C ATOM 1008 CE1 PHE A 62 16.496 -4.272 -2.393 1.00 0.00 C ATOM 1009 CE2 PHE A 62 15.188 -5.103 -4.261 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.265 -4.352 -3.772 1.00 0.00 C ATOM 0 H PHE A 62 13.925 -8.964 -1.265 1.00 0.00 H new ATOM 0 HA PHE A 62 15.466 -6.814 0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.963 -7.053 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.066 -5.709 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.830 -4.886 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.513 -6.355 -3.747 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.325 -3.691 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.010 -5.163 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.918 -3.834 -4.459 1.00 0.00 H new ATOM 1020 N GLY A 63 12.720 -8.192 1.302 1.00 0.00 N ATOM 1021 CA GLY A 63 11.960 -8.365 2.573 1.00 0.00 C ATOM 1022 C GLY A 63 12.739 -9.274 3.527 1.00 0.00 C ATOM 1023 O GLY A 63 12.291 -9.571 4.617 1.00 0.00 O ATOM 0 H GLY A 63 12.358 -8.718 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.789 -7.395 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.980 -8.796 2.365 1.00 0.00 H new ATOM 1027 N LYS A 64 13.899 -9.719 3.130 1.00 0.00 N ATOM 1028 CA LYS A 64 14.699 -10.607 4.019 1.00 0.00 C ATOM 1029 C LYS A 64 15.263 -9.792 5.184 1.00 0.00 C ATOM 1030 O LYS A 64 15.813 -10.333 6.122 1.00 0.00 O ATOM 1031 CB LYS A 64 15.852 -11.222 3.223 1.00 0.00 C ATOM 1032 CG LYS A 64 16.898 -10.145 2.926 1.00 0.00 C ATOM 1033 CD LYS A 64 17.999 -10.732 2.042 1.00 0.00 C ATOM 1034 CE LYS A 64 19.308 -9.978 2.287 1.00 0.00 C ATOM 1035 NZ LYS A 64 19.449 -8.887 1.282 1.00 0.00 N ATOM 0 H LYS A 64 14.327 -9.506 2.229 1.00 0.00 H new ATOM 0 HA LYS A 64 14.060 -11.401 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.304 -12.037 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.479 -11.648 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.430 -9.297 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.325 -9.771 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.131 -11.791 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.715 -10.658 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.317 -9.562 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.153 -10.663 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.773 -8.019 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.143 -9.168 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.529 -8.711 0.829 1.00 0.00 H new ATOM 1049 N ARG A 65 15.137 -8.494 5.131 1.00 0.00 N ATOM 1050 CA ARG A 65 15.674 -7.649 6.236 1.00 0.00 C ATOM 1051 C ARG A 65 14.797 -6.408 6.412 1.00 0.00 C ATOM 1052 O ARG A 65 13.895 -6.156 5.638 1.00 0.00 O ATOM 1053 CB ARG A 65 17.100 -7.216 5.895 1.00 0.00 C ATOM 1054 CG ARG A 65 18.094 -8.037 6.719 1.00 0.00 C ATOM 1055 CD ARG A 65 19.502 -7.859 6.147 1.00 0.00 C ATOM 1056 NE ARG A 65 20.200 -9.175 6.129 1.00 0.00 N ATOM 1057 CZ ARG A 65 21.471 -9.236 5.839 1.00 0.00 C ATOM 1058 NH1 ARG A 65 22.314 -8.427 6.420 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.900 -10.108 4.968 1.00 0.00 N ATOM 0 H ARG A 65 14.686 -7.983 4.372 1.00 0.00 H new ATOM 0 HA ARG A 65 15.675 -8.224 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.290 -7.357 4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.228 -6.154 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.070 -7.717 7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.814 -9.090 6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.447 -7.450 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.064 -7.145 6.750 1.00 0.00 H new ATOM 0 HE ARG A 65 19.684 -10.029 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.980 -7.746 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.307 -8.476 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.242 -10.742 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.893 -10.156 4.741 1.00 0.00 H new ATOM 1073 N MET A 66 15.062 -5.627 7.425 1.00 0.00 N ATOM 1074 CA MET A 66 14.251 -4.399 7.656 1.00 0.00 C ATOM 1075 C MET A 66 12.763 -4.746 7.592 1.00 0.00 C ATOM 1076 O MET A 66 12.388 -5.885 7.395 1.00 0.00 O ATOM 1077 CB MET A 66 14.580 -3.361 6.582 1.00 0.00 C ATOM 1078 CG MET A 66 15.810 -2.557 7.006 1.00 0.00 C ATOM 1079 SD MET A 66 15.902 -1.032 6.033 1.00 0.00 S ATOM 1080 CE MET A 66 16.222 -1.805 4.428 1.00 0.00 C ATOM 0 H MET A 66 15.807 -5.788 8.103 1.00 0.00 H new ATOM 0 HA MET A 66 14.485 -3.991 8.640 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.767 -3.856 5.629 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.730 -2.694 6.434 1.00 0.00 H new ATOM 0 HG2 MET A 66 15.754 -2.320 8.068 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.713 -3.149 6.859 1.00 0.00 H new ATOM 0 HE1 MET A 66 16.593 -1.054 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 66 16.967 -2.592 4.545 1.00 0.00 H new ATOM 0 HE3 MET A 66 15.298 -2.235 4.041 1.00 0.00 H new ATOM 1090 N PHE A 67 11.913 -3.771 7.755 1.00 0.00 N ATOM 1091 CA PHE A 67 10.450 -4.039 7.702 1.00 0.00 C ATOM 1092 C PHE A 67 9.923 -3.690 6.309 1.00 0.00 C ATOM 1093 O PHE A 67 9.134 -2.780 6.141 1.00 0.00 O ATOM 1094 CB PHE A 67 9.740 -3.187 8.753 1.00 0.00 C ATOM 1095 CG PHE A 67 10.527 -3.229 10.041 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.721 -4.449 10.702 1.00 0.00 C ATOM 1097 CD2 PHE A 67 11.066 -2.050 10.573 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.454 -4.489 11.896 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.799 -2.092 11.766 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.993 -3.311 12.429 1.00 0.00 C ATOM 0 H PHE A 67 12.170 -2.798 7.923 1.00 0.00 H new ATOM 0 HA PHE A 67 10.260 -5.093 7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.647 -2.159 8.403 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.729 -3.560 8.918 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.306 -5.358 10.292 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.916 -1.110 10.064 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.603 -5.429 12.406 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.215 -1.183 12.175 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.557 -3.342 13.349 1.00 0.00 H new ATOM 1110 N VAL A 68 10.363 -4.410 5.311 1.00 0.00 N ATOM 1111 CA VAL A 68 9.904 -4.135 3.920 1.00 0.00 C ATOM 1112 C VAL A 68 8.960 -5.255 3.466 1.00 0.00 C ATOM 1113 O VAL A 68 9.304 -6.420 3.487 1.00 0.00 O ATOM 1114 CB VAL A 68 11.131 -4.048 2.989 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.260 -4.928 3.529 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.767 -4.509 1.571 1.00 0.00 C ATOM 0 H VAL A 68 11.025 -5.181 5.401 1.00 0.00 H new ATOM 0 HA VAL A 68 9.366 -3.188 3.883 1.00 0.00 H new ATOM 0 HB VAL A 68 11.459 -3.009 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.122 -4.861 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.541 -4.588 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.922 -5.963 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.645 -4.440 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.420 -5.542 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.976 -3.873 1.173 1.00 0.00 H new ATOM 1126 N PHE A 69 7.769 -4.906 3.057 1.00 0.00 N ATOM 1127 CA PHE A 69 6.799 -5.943 2.602 1.00 0.00 C ATOM 1128 C PHE A 69 6.750 -5.974 1.068 1.00 0.00 C ATOM 1129 O PHE A 69 7.393 -5.183 0.402 1.00 0.00 O ATOM 1130 CB PHE A 69 5.408 -5.622 3.180 1.00 0.00 C ATOM 1131 CG PHE A 69 4.692 -4.573 2.345 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.415 -3.655 1.569 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.290 -4.525 2.350 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.740 -2.700 0.799 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.616 -3.566 1.583 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.341 -2.655 0.806 1.00 0.00 C ATOM 0 H PHE A 69 7.426 -3.946 3.019 1.00 0.00 H new ATOM 0 HA PHE A 69 7.115 -6.924 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.809 -6.532 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.511 -5.266 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.495 -3.685 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.729 -5.229 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.299 -1.997 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.537 -3.530 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.821 -1.918 0.212 1.00 0.00 H new ATOM 1146 N LYS A 70 5.988 -6.874 0.505 1.00 0.00 N ATOM 1147 CA LYS A 70 5.892 -6.949 -0.982 1.00 0.00 C ATOM 1148 C LYS A 70 4.451 -7.271 -1.387 1.00 0.00 C ATOM 1149 O LYS A 70 4.006 -8.395 -1.283 1.00 0.00 O ATOM 1150 CB LYS A 70 6.823 -8.047 -1.503 1.00 0.00 C ATOM 1151 CG LYS A 70 6.489 -8.352 -2.966 1.00 0.00 C ATOM 1152 CD LYS A 70 7.420 -9.450 -3.487 1.00 0.00 C ATOM 1153 CE LYS A 70 7.182 -10.739 -2.698 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.697 -11.804 -3.622 1.00 0.00 N ATOM 0 H LYS A 70 5.428 -7.560 1.011 1.00 0.00 H new ATOM 0 HA LYS A 70 6.186 -5.991 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.862 -7.729 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.713 -8.948 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.450 -8.670 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.599 -7.451 -3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.239 -9.622 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.459 -9.137 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.105 -11.056 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.450 -10.566 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.535 -12.681 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.807 -11.500 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.410 -11.975 -4.359 1.00 0.00 H new ATOM 1168 N ILE A 71 3.721 -6.295 -1.853 1.00 0.00 N ATOM 1169 CA ILE A 71 2.313 -6.552 -2.268 1.00 0.00 C ATOM 1170 C ILE A 71 2.292 -6.956 -3.745 1.00 0.00 C ATOM 1171 O ILE A 71 3.269 -6.823 -4.450 1.00 0.00 O ATOM 1172 CB ILE A 71 1.480 -5.276 -2.051 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.978 -5.245 -0.606 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.277 -5.243 -3.004 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.208 -3.946 -0.361 1.00 0.00 C ATOM 0 H ILE A 71 4.038 -5.332 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 71 1.887 -7.359 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 71 2.109 -4.409 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.334 -6.103 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.819 -5.318 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.298 -4.333 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.629 -5.262 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.356 -6.111 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.150 -3.924 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.866 -3.095 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.642 -3.893 -1.042 1.00 0.00 H new ATOM 1187 N THR A 72 1.179 -7.445 -4.211 1.00 0.00 N ATOM 1188 CA THR A 72 1.074 -7.855 -5.635 1.00 0.00 C ATOM 1189 C THR A 72 -0.331 -7.516 -6.128 1.00 0.00 C ATOM 1190 O THR A 72 -1.242 -8.315 -6.042 1.00 0.00 O ATOM 1191 CB THR A 72 1.324 -9.362 -5.756 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.713 -9.621 -5.610 1.00 0.00 O ATOM 1193 CG2 THR A 72 0.853 -9.857 -7.125 1.00 0.00 C ATOM 0 H THR A 72 0.331 -7.579 -3.661 1.00 0.00 H new ATOM 0 HA THR A 72 1.816 -7.330 -6.237 1.00 0.00 H new ATOM 0 HB THR A 72 0.770 -9.884 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.177 -8.791 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.033 -10.929 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.213 -9.659 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.403 -9.337 -7.909 1.00 0.00 H new ATOM 1201 N THR A 73 -0.517 -6.328 -6.626 1.00 0.00 N ATOM 1202 CA THR A 73 -1.870 -5.929 -7.107 1.00 0.00 C ATOM 1203 C THR A 73 -2.468 -7.063 -7.939 1.00 0.00 C ATOM 1204 O THR A 73 -1.756 -7.819 -8.565 1.00 0.00 O ATOM 1205 CB THR A 73 -1.772 -4.662 -7.963 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.422 -5.019 -9.292 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.710 -3.722 -7.386 1.00 0.00 C ATOM 0 H THR A 73 0.207 -5.616 -6.722 1.00 0.00 H new ATOM 0 HA THR A 73 -2.509 -5.728 -6.248 1.00 0.00 H new ATOM 0 HB THR A 73 -2.735 -4.152 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.531 -4.242 -9.879 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.647 -2.824 -8.000 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.983 -3.446 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.257 -4.226 -7.379 1.00 0.00 H new ATOM 1215 N THR A 74 -3.770 -7.185 -7.943 1.00 0.00 N ATOM 1216 CA THR A 74 -4.431 -8.268 -8.727 1.00 0.00 C ATOM 1217 C THR A 74 -3.918 -8.246 -10.166 1.00 0.00 C ATOM 1218 O THR A 74 -4.496 -7.623 -11.035 1.00 0.00 O ATOM 1219 CB THR A 74 -5.946 -8.052 -8.722 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.513 -8.661 -9.874 1.00 0.00 O ATOM 1221 CG2 THR A 74 -6.251 -6.553 -8.733 1.00 0.00 C ATOM 0 H THR A 74 -4.408 -6.575 -7.432 1.00 0.00 H new ATOM 0 HA THR A 74 -4.200 -9.233 -8.275 1.00 0.00 H new ATOM 0 HB THR A 74 -6.374 -8.500 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.186 -8.207 -10.679 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.330 -6.401 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.816 -6.087 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.824 -6.101 -9.629 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.835 -8.925 -10.415 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.256 -8.962 -11.789 1.00 0.00 C ATOM 1231 C LYS A 75 -0.785 -9.367 -11.694 1.00 0.00 C ATOM 1232 O LYS A 75 -0.419 -10.489 -11.979 1.00 0.00 O ATOM 1233 CB LYS A 75 -2.358 -7.577 -12.433 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.388 -7.613 -13.564 1.00 0.00 C ATOM 1235 CD LYS A 75 -2.815 -8.388 -14.751 1.00 0.00 C ATOM 1236 CE LYS A 75 -3.958 -9.023 -15.546 1.00 0.00 C ATOM 1237 NZ LYS A 75 -3.924 -8.522 -16.949 1.00 0.00 N ATOM 0 H LYS A 75 -2.319 -9.463 -9.718 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.805 -9.681 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.648 -6.838 -11.686 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.386 -7.273 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.308 -8.085 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.645 -6.598 -13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.240 -7.720 -15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.130 -9.160 -14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.865 -10.109 -15.534 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.915 -8.780 -15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.700 -8.953 -17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.033 -7.488 -16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.015 -8.775 -17.386 1.00 0.00 H new ATOM 1251 N GLN A 76 0.059 -8.457 -11.287 1.00 0.00 N ATOM 1252 CA GLN A 76 1.507 -8.780 -11.161 1.00 0.00 C ATOM 1253 C GLN A 76 2.293 -7.494 -10.898 1.00 0.00 C ATOM 1254 O GLN A 76 3.405 -7.330 -11.359 1.00 0.00 O ATOM 1255 CB GLN A 76 2.007 -9.426 -12.455 1.00 0.00 C ATOM 1256 CG GLN A 76 1.570 -8.579 -13.653 1.00 0.00 C ATOM 1257 CD GLN A 76 1.868 -9.336 -14.949 1.00 0.00 C ATOM 1258 OE1 GLN A 76 2.781 -8.990 -15.672 1.00 0.00 O ATOM 1259 NE2 GLN A 76 1.132 -10.364 -15.274 1.00 0.00 N ATOM 0 H GLN A 76 -0.194 -7.501 -11.036 1.00 0.00 H new ATOM 0 HA GLN A 76 1.651 -9.474 -10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.093 -9.512 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.609 -10.437 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.505 -8.357 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.096 -7.624 -13.648 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.365 -10.655 -14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.324 -10.877 -16.135 1.00 0.00 H new ATOM 1268 N GLN A 77 1.728 -6.580 -10.155 1.00 0.00 N ATOM 1269 CA GLN A 77 2.449 -5.311 -9.860 1.00 0.00 C ATOM 1270 C GLN A 77 3.046 -5.391 -8.456 1.00 0.00 C ATOM 1271 O GLN A 77 2.456 -4.946 -7.492 1.00 0.00 O ATOM 1272 CB GLN A 77 1.473 -4.136 -9.937 1.00 0.00 C ATOM 1273 CG GLN A 77 1.823 -3.261 -11.142 1.00 0.00 C ATOM 1274 CD GLN A 77 2.833 -2.192 -10.722 1.00 0.00 C ATOM 1275 OE1 GLN A 77 2.490 -1.035 -10.590 1.00 0.00 O ATOM 1276 NE2 GLN A 77 4.074 -2.534 -10.506 1.00 0.00 N ATOM 0 H GLN A 77 0.799 -6.658 -9.741 1.00 0.00 H new ATOM 0 HA GLN A 77 3.245 -5.163 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.451 -4.504 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.522 -3.548 -9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.238 -3.874 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.923 -2.790 -11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.362 -3.506 -10.617 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.756 -1.829 -10.226 1.00 0.00 H new ATOM 1285 N ASP A 78 4.209 -5.967 -8.334 1.00 0.00 N ATOM 1286 CA ASP A 78 4.842 -6.090 -6.992 1.00 0.00 C ATOM 1287 C ASP A 78 5.195 -4.703 -6.453 1.00 0.00 C ATOM 1288 O ASP A 78 5.687 -3.852 -7.167 1.00 0.00 O ATOM 1289 CB ASP A 78 6.113 -6.932 -7.106 1.00 0.00 C ATOM 1290 CG ASP A 78 6.912 -6.489 -8.333 1.00 0.00 C ATOM 1291 OD1 ASP A 78 6.683 -5.385 -8.798 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.739 -7.262 -8.787 1.00 0.00 O ATOM 0 H ASP A 78 4.749 -6.358 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 78 4.143 -6.571 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.717 -6.820 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.856 -7.988 -7.188 1.00 0.00 H new ATOM 1297 N HIS A 79 4.951 -4.474 -5.191 1.00 0.00 N ATOM 1298 CA HIS A 79 5.274 -3.148 -4.592 1.00 0.00 C ATOM 1299 C HIS A 79 6.028 -3.367 -3.278 1.00 0.00 C ATOM 1300 O HIS A 79 5.439 -3.653 -2.255 1.00 0.00 O ATOM 1301 CB HIS A 79 3.978 -2.383 -4.320 1.00 0.00 C ATOM 1302 CG HIS A 79 3.508 -1.727 -5.589 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.010 -0.510 -6.023 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.579 -2.106 -6.527 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.387 -0.202 -7.176 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.505 -1.142 -7.529 1.00 0.00 N ATOM 0 H HIS A 79 4.541 -5.151 -4.547 1.00 0.00 H new ATOM 0 HA HIS A 79 5.893 -2.571 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.213 -3.063 -3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.142 -1.631 -3.548 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.995 -3.014 -6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.577 0.695 -7.746 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.906 -1.151 -8.355 1.00 0.00 H new ATOM 1314 N PHE A 80 7.327 -3.248 -3.300 1.00 0.00 N ATOM 1315 CA PHE A 80 8.116 -3.464 -2.051 1.00 0.00 C ATOM 1316 C PHE A 80 8.366 -2.126 -1.354 1.00 0.00 C ATOM 1317 O PHE A 80 8.914 -1.207 -1.930 1.00 0.00 O ATOM 1318 CB PHE A 80 9.465 -4.112 -2.390 1.00 0.00 C ATOM 1319 CG PHE A 80 9.367 -4.863 -3.697 1.00 0.00 C ATOM 1320 CD1 PHE A 80 8.802 -6.145 -3.730 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.842 -4.278 -4.878 1.00 0.00 C ATOM 1322 CE1 PHE A 80 8.711 -6.842 -4.943 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.751 -4.973 -6.092 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.186 -6.255 -6.124 1.00 0.00 C ATOM 0 H PHE A 80 7.877 -3.011 -4.126 1.00 0.00 H new ATOM 0 HA PHE A 80 7.551 -4.121 -1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.238 -3.346 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.761 -4.793 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.436 -6.597 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.279 -3.291 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.275 -7.830 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.116 -4.521 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.116 -6.791 -7.059 1.00 0.00 H new ATOM 1334 N PHE A 81 7.981 -2.011 -0.111 1.00 0.00 N ATOM 1335 CA PHE A 81 8.211 -0.734 0.625 1.00 0.00 C ATOM 1336 C PHE A 81 8.390 -1.038 2.118 1.00 0.00 C ATOM 1337 O PHE A 81 7.737 -1.902 2.668 1.00 0.00 O ATOM 1338 CB PHE A 81 7.031 0.240 0.364 1.00 0.00 C ATOM 1339 CG PHE A 81 6.076 0.342 1.547 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.537 0.776 2.798 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.721 0.022 1.381 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.655 0.879 3.875 1.00 0.00 C ATOM 1343 CE2 PHE A 81 3.834 0.133 2.463 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.306 0.561 3.712 1.00 0.00 C ATOM 0 H PHE A 81 7.518 -2.745 0.426 1.00 0.00 H new ATOM 0 HA PHE A 81 9.120 -0.248 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.427 1.230 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.479 -0.093 -0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.578 1.032 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.359 -0.310 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.018 1.206 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.790 -0.111 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.626 0.644 4.547 1.00 0.00 H new ATOM 1354 N GLN A 82 9.264 -0.324 2.779 1.00 0.00 N ATOM 1355 CA GLN A 82 9.477 -0.562 4.235 1.00 0.00 C ATOM 1356 C GLN A 82 8.887 0.602 5.036 1.00 0.00 C ATOM 1357 O GLN A 82 9.056 1.751 4.688 1.00 0.00 O ATOM 1358 CB GLN A 82 10.976 -0.663 4.527 1.00 0.00 C ATOM 1359 CG GLN A 82 11.193 -0.791 6.036 1.00 0.00 C ATOM 1360 CD GLN A 82 12.346 0.118 6.467 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.219 0.425 5.679 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.386 0.565 7.692 1.00 0.00 N ATOM 0 H GLN A 82 9.839 0.414 2.372 1.00 0.00 H new ATOM 0 HA GLN A 82 8.986 -1.492 4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.400 -1.526 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.492 0.219 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.282 -0.518 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.416 -1.826 6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.653 0.307 8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.150 1.172 7.989 1.00 0.00 H new ATOM 1371 N ALA A 83 8.196 0.316 6.106 1.00 0.00 N ATOM 1372 CA ALA A 83 7.600 1.410 6.921 1.00 0.00 C ATOM 1373 C ALA A 83 8.578 1.825 8.024 1.00 0.00 C ATOM 1374 O ALA A 83 9.780 1.767 7.856 1.00 0.00 O ATOM 1375 CB ALA A 83 6.295 0.920 7.553 1.00 0.00 C ATOM 0 H ALA A 83 8.019 -0.628 6.450 1.00 0.00 H new ATOM 0 HA ALA A 83 7.396 2.268 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.857 1.720 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.597 0.630 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.500 0.061 8.192 1.00 0.00 H new ATOM 1381 N ALA A 84 8.069 2.253 9.149 1.00 0.00 N ATOM 1382 CA ALA A 84 8.964 2.683 10.261 1.00 0.00 C ATOM 1383 C ALA A 84 9.536 1.463 10.981 1.00 0.00 C ATOM 1384 O ALA A 84 10.580 0.950 10.630 1.00 0.00 O ATOM 1385 CB ALA A 84 8.164 3.532 11.252 1.00 0.00 C ATOM 0 H ALA A 84 7.071 2.323 9.345 1.00 0.00 H new ATOM 0 HA ALA A 84 9.787 3.268 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.814 3.849 12.067 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.767 4.410 10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.340 2.943 11.654 1.00 0.00 H new ATOM 1391 N PHE A 85 8.860 1.002 11.989 1.00 0.00 N ATOM 1392 CA PHE A 85 9.352 -0.184 12.751 1.00 0.00 C ATOM 1393 C PHE A 85 8.502 -1.395 12.390 1.00 0.00 C ATOM 1394 O PHE A 85 7.563 -1.297 11.631 1.00 0.00 O ATOM 1395 CB PHE A 85 9.247 0.074 14.262 1.00 0.00 C ATOM 1396 CG PHE A 85 9.123 1.557 14.534 1.00 0.00 C ATOM 1397 CD1 PHE A 85 10.267 2.366 14.553 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.862 2.122 14.767 1.00 0.00 C ATOM 1399 CE1 PHE A 85 10.148 3.740 14.805 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.744 3.495 15.020 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.887 4.303 15.039 1.00 0.00 C ATOM 0 H PHE A 85 7.981 1.395 12.324 1.00 0.00 H new ATOM 0 HA PHE A 85 10.395 -0.366 12.493 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.382 -0.451 14.668 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.127 -0.323 14.768 1.00 0.00 H new ATOM 0 HD1 PHE A 85 11.239 1.932 14.374 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.980 1.499 14.752 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.029 4.365 14.819 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.772 3.930 15.200 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.796 5.361 15.234 1.00 0.00 H new ATOM 1411 N LEU A 86 8.820 -2.537 12.929 1.00 0.00 N ATOM 1412 CA LEU A 86 8.015 -3.749 12.612 1.00 0.00 C ATOM 1413 C LEU A 86 6.562 -3.506 13.021 1.00 0.00 C ATOM 1414 O LEU A 86 5.650 -4.102 12.485 1.00 0.00 O ATOM 1415 CB LEU A 86 8.560 -4.954 13.379 1.00 0.00 C ATOM 1416 CG LEU A 86 7.589 -6.126 13.224 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.335 -6.383 11.737 1.00 0.00 C ATOM 1418 CD2 LEU A 86 8.194 -7.378 13.857 1.00 0.00 C ATOM 0 H LEU A 86 9.598 -2.684 13.572 1.00 0.00 H new ATOM 0 HA LEU A 86 8.073 -3.950 11.542 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.544 -5.228 12.999 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.683 -4.705 14.433 1.00 0.00 H new ATOM 0 HG LEU A 86 6.649 -5.885 13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.643 -7.218 11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.904 -5.491 11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.277 -6.623 11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.502 -8.213 13.746 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.134 -7.618 13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.378 -7.198 14.916 1.00 0.00 H new ATOM 1430 N GLU A 87 6.340 -2.634 13.967 1.00 0.00 N ATOM 1431 CA GLU A 87 4.944 -2.355 14.404 1.00 0.00 C ATOM 1432 C GLU A 87 4.182 -1.689 13.258 1.00 0.00 C ATOM 1433 O GLU A 87 3.234 -2.236 12.730 1.00 0.00 O ATOM 1434 CB GLU A 87 4.964 -1.422 15.618 1.00 0.00 C ATOM 1435 CG GLU A 87 4.004 -1.955 16.685 1.00 0.00 C ATOM 1436 CD GLU A 87 4.782 -2.266 17.966 1.00 0.00 C ATOM 1437 OE1 GLU A 87 5.977 -2.494 17.869 1.00 0.00 O ATOM 1438 OE2 GLU A 87 4.170 -2.270 19.020 1.00 0.00 O ATOM 0 H GLU A 87 7.063 -2.105 14.454 1.00 0.00 H new ATOM 0 HA GLU A 87 4.452 -3.289 14.676 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.974 -1.355 16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.672 -0.415 15.321 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.226 -1.219 16.889 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.505 -2.854 16.323 1.00 0.00 H new ATOM 1445 N GLU A 88 4.595 -0.516 12.860 1.00 0.00 N ATOM 1446 CA GLU A 88 3.901 0.177 11.740 1.00 0.00 C ATOM 1447 C GLU A 88 3.979 -0.700 10.490 1.00 0.00 C ATOM 1448 O GLU A 88 3.171 -0.593 9.588 1.00 0.00 O ATOM 1449 CB GLU A 88 4.585 1.519 11.468 1.00 0.00 C ATOM 1450 CG GLU A 88 3.526 2.615 11.335 1.00 0.00 C ATOM 1451 CD GLU A 88 3.672 3.607 12.490 1.00 0.00 C ATOM 1452 OE1 GLU A 88 4.677 4.297 12.530 1.00 0.00 O ATOM 1453 OE2 GLU A 88 2.774 3.662 13.316 1.00 0.00 O ATOM 0 H GLU A 88 5.383 -0.009 13.263 1.00 0.00 H new ATOM 0 HA GLU A 88 2.858 0.353 12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.272 1.760 12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.178 1.459 10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.639 3.131 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.529 2.175 11.343 1.00 0.00 H new ATOM 1460 N ARG A 89 4.951 -1.569 10.433 1.00 0.00 N ATOM 1461 CA ARG A 89 5.092 -2.463 9.248 1.00 0.00 C ATOM 1462 C ARG A 89 3.881 -3.394 9.167 1.00 0.00 C ATOM 1463 O ARG A 89 3.075 -3.298 8.265 1.00 0.00 O ATOM 1464 CB ARG A 89 6.367 -3.297 9.385 1.00 0.00 C ATOM 1465 CG ARG A 89 6.523 -4.197 8.157 1.00 0.00 C ATOM 1466 CD ARG A 89 6.584 -5.660 8.601 1.00 0.00 C ATOM 1467 NE ARG A 89 8.007 -6.101 8.661 1.00 0.00 N ATOM 1468 CZ ARG A 89 8.480 -6.905 7.748 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.971 -6.900 6.546 1.00 0.00 N ATOM 1470 NH2 ARG A 89 9.461 -7.715 8.038 1.00 0.00 N ATOM 0 H ARG A 89 5.656 -1.699 11.159 1.00 0.00 H new ATOM 0 HA ARG A 89 5.149 -1.859 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.233 -2.643 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.322 -3.903 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.686 -4.048 7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.429 -3.933 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.115 -5.775 9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.027 -6.286 7.904 1.00 0.00 H new ATOM 0 HE ARG A 89 8.611 -5.774 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.203 -6.268 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.341 -7.528 5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.858 -7.720 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.831 -8.344 7.325 1.00 0.00 H new ATOM 1484 N ASP A 90 3.745 -4.293 10.104 1.00 0.00 N ATOM 1485 CA ASP A 90 2.580 -5.224 10.079 1.00 0.00 C ATOM 1486 C ASP A 90 1.286 -4.409 10.166 1.00 0.00 C ATOM 1487 O ASP A 90 0.210 -4.902 9.895 1.00 0.00 O ATOM 1488 CB ASP A 90 2.666 -6.181 11.269 1.00 0.00 C ATOM 1489 CG ASP A 90 1.790 -7.406 11.007 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.716 -7.236 10.454 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.208 -8.496 11.365 1.00 0.00 O ATOM 0 H ASP A 90 4.389 -4.423 10.884 1.00 0.00 H new ATOM 0 HA ASP A 90 2.588 -5.800 9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.700 -6.488 11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.340 -5.676 12.179 1.00 0.00 H new ATOM 1496 N ALA A 91 1.384 -3.162 10.533 1.00 0.00 N ATOM 1497 CA ALA A 91 0.161 -2.317 10.619 1.00 0.00 C ATOM 1498 C ALA A 91 -0.212 -1.870 9.206 1.00 0.00 C ATOM 1499 O ALA A 91 -1.371 -1.732 8.866 1.00 0.00 O ATOM 1500 CB ALA A 91 0.442 -1.091 11.490 1.00 0.00 C ATOM 0 H ALA A 91 2.256 -2.692 10.777 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.658 -2.883 11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.455 -0.475 11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.729 -1.414 12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.252 -0.510 11.050 1.00 0.00 H new ATOM 1506 N TRP A 92 0.774 -1.657 8.379 1.00 0.00 N ATOM 1507 CA TRP A 92 0.513 -1.235 6.981 1.00 0.00 C ATOM 1508 C TRP A 92 0.109 -2.463 6.161 1.00 0.00 C ATOM 1509 O TRP A 92 -0.677 -2.381 5.238 1.00 0.00 O ATOM 1510 CB TRP A 92 1.802 -0.653 6.402 1.00 0.00 C ATOM 1511 CG TRP A 92 1.753 0.840 6.426 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.199 1.612 7.443 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.250 1.751 5.408 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.004 2.941 7.113 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.417 3.079 5.870 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.667 1.557 4.141 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.024 4.175 5.101 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.269 2.658 3.364 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.447 3.964 3.845 1.00 0.00 C ATOM 0 H TRP A 92 1.760 -1.760 8.619 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.283 -0.491 6.952 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.658 -1.005 6.977 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.940 -1.003 5.379 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.636 1.250 8.362 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.262 3.724 7.714 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.525 0.555 3.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.164 5.179 5.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.176 2.498 2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.138 4.807 3.245 1.00 0.00 H new ATOM 1530 N VAL A 93 0.658 -3.602 6.491 1.00 0.00 N ATOM 1531 CA VAL A 93 0.333 -4.849 5.741 1.00 0.00 C ATOM 1532 C VAL A 93 -1.090 -5.303 6.084 1.00 0.00 C ATOM 1533 O VAL A 93 -1.793 -5.850 5.258 1.00 0.00 O ATOM 1534 CB VAL A 93 1.344 -5.941 6.119 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.735 -5.321 6.252 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.949 -6.586 7.452 1.00 0.00 C ATOM 0 H VAL A 93 1.323 -3.722 7.255 1.00 0.00 H new ATOM 0 HA VAL A 93 0.390 -4.660 4.669 1.00 0.00 H new ATOM 0 HB VAL A 93 1.351 -6.704 5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.454 -6.095 6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.025 -4.870 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.719 -4.555 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.673 -7.359 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.934 -5.826 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.041 -7.032 7.361 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.518 -5.084 7.298 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.893 -5.509 7.689 1.00 0.00 C ATOM 1548 C ARG A 94 -3.905 -4.450 7.246 1.00 0.00 C ATOM 1549 O ARG A 94 -5.074 -4.731 7.078 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.965 -5.679 9.208 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.773 -4.322 9.884 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.841 -4.134 10.964 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.223 -3.533 12.180 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.979 -3.007 13.104 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.302 -1.744 13.041 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -4.413 -3.742 14.090 1.00 0.00 N ATOM 0 H ARG A 94 -0.977 -4.630 8.034 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.127 -6.458 7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.927 -6.105 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.197 -6.376 9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.779 -4.262 10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.842 -3.523 9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.638 -3.490 10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.295 -5.093 11.211 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.209 -3.533 12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.963 -1.169 12.270 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.893 -1.332 13.763 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.161 -4.729 14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.004 -3.330 14.812 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.468 -3.236 7.056 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.411 -2.165 6.627 1.00 0.00 C ATOM 1572 C ASP A 95 -4.656 -2.271 5.119 1.00 0.00 C ATOM 1573 O ASP A 95 -5.782 -2.273 4.663 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.810 -0.797 6.951 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.874 0.088 7.604 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.619 0.721 6.873 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.926 0.117 8.822 1.00 0.00 O ATOM 0 H ASP A 95 -2.500 -2.939 7.179 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.357 -2.282 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.957 -0.912 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.439 -0.326 6.040 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.610 -2.356 4.342 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.790 -2.461 2.866 1.00 0.00 C ATOM 1584 C ILE A 96 -4.404 -3.823 2.525 1.00 0.00 C ATOM 1585 O ILE A 96 -5.277 -3.928 1.688 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.428 -2.314 2.172 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -2.034 -0.834 2.142 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.515 -2.845 0.737 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.643 -0.674 1.518 1.00 0.00 C ATOM 0 H ILE A 96 -2.642 -2.357 4.664 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.455 -1.669 2.520 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.680 -2.885 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.766 -0.266 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.037 -0.428 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.546 -2.738 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.798 -3.898 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.264 -2.278 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.371 0.381 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.087 -1.227 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.654 -1.062 0.500 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.953 -4.866 3.168 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.509 -6.217 2.878 1.00 0.00 C ATOM 1603 C ASN A 97 -5.925 -6.327 3.450 1.00 0.00 C ATOM 1604 O ASN A 97 -6.759 -7.043 2.931 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.616 -7.283 3.518 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.202 -8.670 3.253 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.243 -9.504 4.136 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -4.659 -8.957 2.065 1.00 0.00 N ATOM 0 H ASN A 97 -3.224 -4.840 3.881 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.544 -6.369 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.607 -7.219 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.537 -7.109 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.050 -9.880 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.625 -8.258 1.323 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.205 -5.624 4.512 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.568 -5.690 5.113 1.00 0.00 C ATOM 1617 C LYS A 98 -8.568 -4.988 4.192 1.00 0.00 C ATOM 1618 O LYS A 98 -9.649 -5.482 3.942 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.558 -4.997 6.477 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.995 -4.794 6.960 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.051 -4.969 8.479 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.479 -5.326 8.897 1.00 0.00 C ATOM 1623 NZ LYS A 98 -11.266 -4.074 9.085 1.00 0.00 N ATOM 0 H LYS A 98 -5.549 -5.006 4.990 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.859 -6.733 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.003 -5.598 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.049 -4.036 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.346 -3.799 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.658 -5.511 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.362 -5.754 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.734 -4.051 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.947 -5.952 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.466 -5.903 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.237 -4.314 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.822 -3.493 9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.288 -3.541 8.192 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.214 -3.840 3.686 1.00 0.00 N ATOM 1638 CA ALA A 99 -9.145 -3.105 2.784 1.00 0.00 C ATOM 1639 C ALA A 99 -9.379 -3.926 1.514 1.00 0.00 C ATOM 1640 O ALA A 99 -10.493 -4.058 1.047 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.533 -1.754 2.412 1.00 0.00 C ATOM 0 H ALA A 99 -7.321 -3.379 3.858 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.095 -2.946 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.213 -1.216 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.366 -1.169 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.583 -1.913 1.902 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.339 -4.478 0.951 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.506 -5.291 -0.287 1.00 0.00 C ATOM 1649 C ILE A 100 -9.340 -6.535 0.033 1.00 0.00 C ATOM 1650 O ILE A 100 -10.137 -6.981 -0.768 1.00 0.00 O ATOM 1651 CB ILE A 100 -7.127 -5.705 -0.814 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.470 -4.509 -1.505 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -7.278 -6.849 -1.821 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -5.112 -4.230 -0.860 1.00 0.00 C ATOM 0 H ILE A 100 -7.382 -4.401 1.294 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.017 -4.703 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.508 -6.037 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.344 -4.714 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.111 -3.631 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.295 -7.139 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.748 -7.703 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.898 -6.520 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.644 -3.378 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.251 -4.007 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.472 -5.106 -0.965 1.00 0.00 H new ATOM 1666 N LYS A 101 -9.167 -7.096 1.199 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.956 -8.306 1.563 1.00 0.00 C ATOM 1668 C LYS A 101 -11.382 -7.890 1.921 1.00 0.00 C ATOM 1669 O LYS A 101 -12.274 -8.709 2.026 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.308 -9.001 2.762 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.928 -10.432 2.379 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.438 -11.401 3.448 1.00 0.00 C ATOM 1673 CE LYS A 101 -9.625 -12.788 2.830 1.00 0.00 C ATOM 1674 NZ LYS A 101 -10.398 -13.650 3.768 1.00 0.00 N ATOM 0 H LYS A 101 -8.516 -6.770 1.913 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.978 -8.994 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.422 -8.451 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.997 -9.010 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.356 -10.686 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.846 -10.518 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.730 -11.452 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.382 -11.043 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.150 -12.706 1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.655 -13.239 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.525 -14.593 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.880 -13.738 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.329 -13.222 3.946 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.603 -6.620 2.103 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.970 -6.138 2.450 1.00 0.00 C ATOM 1690 C CYS A 102 -13.690 -5.700 1.174 1.00 0.00 C ATOM 1691 O CYS A 102 -14.903 -5.713 1.099 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.865 -4.951 3.410 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.212 -5.031 4.617 1.00 0.00 S ATOM 0 H CYS A 102 -10.894 -5.891 2.026 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.530 -6.941 2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.903 -4.967 3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.915 -4.015 2.854 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.123 -4.024 5.434 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.953 -5.310 0.171 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.592 -4.871 -1.101 1.00 0.00 C ATOM 1701 C ILE A 103 -13.950 -6.101 -1.938 1.00 0.00 C ATOM 1702 O ILE A 103 -14.848 -6.065 -2.757 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.615 -3.981 -1.878 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.566 -2.592 -1.236 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -13.076 -3.849 -3.332 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.986 -2.042 -1.093 1.00 0.00 C ATOM 0 H ILE A 103 -11.934 -5.276 0.178 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.499 -4.307 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.623 -4.433 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.087 -2.649 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.964 -1.919 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.378 -3.215 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -13.109 -4.836 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -14.070 -3.402 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.949 -1.053 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.449 -1.970 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.574 -2.711 -0.464 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.260 -7.190 -1.739 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.568 -8.419 -2.524 1.00 0.00 C ATOM 1720 C GLU A 104 -14.928 -8.972 -2.094 1.00 0.00 C ATOM 1721 O GLU A 104 -15.449 -9.897 -2.684 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.483 -9.469 -2.274 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.183 -9.034 -2.954 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.395 -10.271 -3.390 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -9.757 -10.872 -2.542 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.444 -10.595 -4.565 1.00 0.00 O ATOM 0 H GLU A 104 -12.497 -7.282 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.597 -8.175 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.322 -9.592 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.802 -10.436 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.404 -8.408 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.586 -8.432 -2.269 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.507 -8.409 -1.071 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.835 -8.895 -0.601 1.00 0.00 C ATOM 1735 C GLY A 105 -17.819 -7.726 -0.558 1.00 0.00 C ATOM 1736 O GLY A 105 -18.918 -7.843 -0.051 1.00 0.00 O ATOM 0 H GLY A 105 -15.117 -7.631 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.207 -9.673 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.741 -9.342 0.389 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.432 -6.599 -1.085 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.339 -5.419 -1.077 1.00 0.00 C ATOM 1742 C LEU A 106 -18.825 -5.147 -2.497 1.00 0.00 C ATOM 1743 O LEU A 106 -18.598 -4.093 -3.057 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.583 -4.197 -0.553 1.00 0.00 C ATOM 1745 CG LEU A 106 -18.212 -3.731 0.760 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -19.654 -3.285 0.507 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.203 -4.883 1.766 1.00 0.00 C ATOM 0 H LEU A 106 -16.524 -6.444 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 106 -19.193 -5.620 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.533 -4.445 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.615 -3.394 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.639 -2.894 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -20.102 -2.953 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -19.660 -2.464 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -20.228 -4.120 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.651 -4.552 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.775 -5.720 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -17.176 -5.200 1.947 1.00 0.00 H new