USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 990 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 113 TYR OH : rot 180:sc= -1.74! USER MOD Set 1.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 106 GLN : amide:sc= -0.379 K(o=0.8,f=-0.26) USER MOD Set 2.2: A 138 ASN : amide:sc= 1.18 K(o=0.8,f=-0.26) USER MOD Set 3.1: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 93 TYR OH : rot 112:sc= 0.758 USER MOD Set 3.3: A 98 MET CE :methyl -160:sc= -3.9! (180deg=-4.14!) USER MOD Set 3.4: A 100 ASN : amide:sc= 1.13 K(o=-5.7,f=-18!) USER MOD Set 3.5: A 121 HIS : no HE2:sc= -3.67! C(o=-5.7!,f=-12!) USER MOD Set 4.1: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 68 ASN : amide:sc= -4.14! K(o=-4.1!,f=-2.1) USER MOD Set 5.1: A 24 LYS NZ :NH3+ -142:sc= 0.708 (180deg=-0.343) USER MOD Set 5.2: A 33 THR OG1 : rot 180:sc= 0.435 USER MOD Set 6.1: A 22 THR OG1 : rot 143:sc= 1.09 USER MOD Set 6.2: A 84 LYS NZ :NH3+ -178:sc= 2.18 (180deg=0.898) USER MOD Single : A 8 HIS : no HE2:sc= -0.875 K(o=-0.88,f=-1.6!) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 0.141 (180deg=-0.822!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -135:sc= -0.237 (180deg=-3.04) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0614 (180deg=-0.316) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 32 MET CE :methyl 137:sc= -0.377 (180deg=-4.18!) USER MOD Single : A 41 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -154:sc= 1.08 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 143:sc= -1.48 (180deg=-2.89!) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= -0.0142 (180deg=-0.131) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc=-0.00872 (180deg=-0.148) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0994 K(o=-0.099,f=-1.2) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.03) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -121:sc= -0.997 USER MOD Single : A 118 ASN : amide:sc= -12.7! C(o=-13!,f=-22!) USER MOD Single : A 119 ASN : amide:sc=-0.00103 X(o=-0.001,f=-0.11) USER MOD Single : A 120 THR OG1 : rot 117:sc= 0.828 USER MOD Single : A 123 GLN : amide:sc= -7.51! K(o=-7.5!,f=0.036) USER MOD Single : A 127 LYS NZ :NH3+ -160:sc= -0.0437 (180deg=-0.406) USER MOD Single : A 131 GLN : amide:sc= -0.305 K(o=-0.3,f=-0.93) USER MOD Single : A 133 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.23) USER MOD Single : A 134 LYS NZ :NH3+ -168:sc= -0.0086 (180deg=-0.15) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -13.207 7.006 1.093 1.00 0.00 N ATOM 116 CA HIS A 8 -14.060 6.103 1.789 1.00 0.00 C ATOM 117 C HIS A 8 -13.402 4.798 2.191 1.00 0.00 C ATOM 118 O HIS A 8 -12.817 4.098 1.370 1.00 0.00 O ATOM 119 CB HIS A 8 -15.376 5.894 1.036 1.00 0.00 C ATOM 120 CG HIS A 8 -15.315 5.458 -0.400 1.00 0.00 C ATOM 121 ND1 HIS A 8 -16.110 5.988 -1.385 1.00 0.00 N ATOM 122 CD2 HIS A 8 -14.613 4.488 -0.981 1.00 0.00 C ATOM 123 CE1 HIS A 8 -15.875 5.329 -2.508 1.00 0.00 C ATOM 124 NE2 HIS A 8 -14.965 4.395 -2.322 1.00 0.00 N ATOM 0 HA HIS A 8 -14.290 6.585 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -15.958 5.153 1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.934 6.830 1.076 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -16.769 6.758 -1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.881 3.867 -0.486 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.363 5.530 -3.450 1.00 0.00 H new ATOM 132 N LYS A 9 -13.483 4.506 3.469 1.00 0.00 N ATOM 133 CA LYS A 9 -12.951 3.305 4.037 1.00 0.00 C ATOM 134 C LYS A 9 -13.852 2.138 3.684 1.00 0.00 C ATOM 135 O LYS A 9 -15.077 2.237 3.781 1.00 0.00 O ATOM 136 CB LYS A 9 -12.907 3.434 5.542 1.00 0.00 C ATOM 137 CG LYS A 9 -11.645 2.892 6.165 1.00 0.00 C ATOM 138 CD LYS A 9 -10.440 3.759 5.829 1.00 0.00 C ATOM 139 CE LYS A 9 -10.667 5.207 6.290 1.00 0.00 C ATOM 140 NZ LYS A 9 -9.469 6.052 6.182 1.00 0.00 N ATOM 0 H LYS A 9 -13.932 5.116 4.152 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.948 3.139 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.010 4.486 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.764 2.911 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.766 2.839 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.472 1.875 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.549 3.354 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.259 3.738 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.467 5.648 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.005 5.201 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.740 7.052 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.798 5.801 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.021 5.902 5.256 1.00 0.00 H new ATOM 154 N GLU A 10 -13.259 1.033 3.382 1.00 0.00 N ATOM 155 CA GLU A 10 -13.955 -0.134 2.914 1.00 0.00 C ATOM 156 C GLU A 10 -13.243 -1.314 3.506 1.00 0.00 C ATOM 157 O GLU A 10 -12.071 -1.205 3.785 1.00 0.00 O ATOM 158 CB GLU A 10 -13.882 -0.220 1.394 1.00 0.00 C ATOM 159 CG GLU A 10 -14.644 0.858 0.614 1.00 0.00 C ATOM 160 CD GLU A 10 -16.144 0.788 0.811 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.750 -0.232 0.431 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.756 1.755 1.327 1.00 0.00 O ATOM 0 H GLU A 10 -12.250 0.905 3.453 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.006 -0.102 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.833 -0.178 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.261 -1.195 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.289 1.841 0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.418 0.757 -0.448 1.00 0.00 H new ATOM 169 N PRO A 11 -13.904 -2.426 3.721 1.00 0.00 N ATOM 170 CA PRO A 11 -13.304 -3.579 4.362 1.00 0.00 C ATOM 171 C PRO A 11 -12.641 -4.545 3.383 1.00 0.00 C ATOM 172 O PRO A 11 -13.110 -4.748 2.249 1.00 0.00 O ATOM 173 CB PRO A 11 -14.513 -4.245 5.036 1.00 0.00 C ATOM 174 CG PRO A 11 -15.656 -3.338 4.717 1.00 0.00 C ATOM 175 CD PRO A 11 -15.290 -2.692 3.440 1.00 0.00 C ATOM 0 HA PRO A 11 -12.499 -3.295 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.682 -5.250 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.367 -4.339 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.588 -3.896 4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.804 -2.599 5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.429 -3.347 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.863 -1.786 3.246 1.00 0.00 H new ATOM 183 N ALA A 12 -11.566 -5.124 3.829 1.00 0.00 N ATOM 184 CA ALA A 12 -10.828 -6.088 3.086 1.00 0.00 C ATOM 185 C ALA A 12 -10.306 -7.158 4.026 1.00 0.00 C ATOM 186 O ALA A 12 -10.030 -6.899 5.197 1.00 0.00 O ATOM 187 CB ALA A 12 -9.690 -5.409 2.345 1.00 0.00 C ATOM 0 H ALA A 12 -11.171 -4.929 4.749 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.477 -6.561 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.130 -6.153 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.095 -4.662 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.027 -4.924 3.062 1.00 0.00 H new ATOM 193 N THR A 13 -10.249 -8.355 3.556 1.00 0.00 N ATOM 194 CA THR A 13 -9.702 -9.436 4.359 1.00 0.00 C ATOM 195 C THR A 13 -8.526 -10.056 3.619 1.00 0.00 C ATOM 196 O THR A 13 -8.591 -10.218 2.421 1.00 0.00 O ATOM 197 CB THR A 13 -10.775 -10.496 4.672 1.00 0.00 C ATOM 198 OG1 THR A 13 -11.895 -9.868 5.314 1.00 0.00 O ATOM 199 CG2 THR A 13 -10.217 -11.573 5.577 1.00 0.00 C ATOM 0 H THR A 13 -10.568 -8.628 2.626 1.00 0.00 H new ATOM 0 HA THR A 13 -9.360 -9.034 5.313 1.00 0.00 H new ATOM 0 HB THR A 13 -11.092 -10.956 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.579 -10.542 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.992 -12.311 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.374 -12.060 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.882 -11.125 6.513 1.00 0.00 H new ATOM 207 N LEU A 14 -7.463 -10.371 4.310 1.00 0.00 N ATOM 208 CA LEU A 14 -6.279 -10.893 3.670 1.00 0.00 C ATOM 209 C LEU A 14 -6.508 -12.254 3.040 1.00 0.00 C ATOM 210 O LEU A 14 -7.004 -13.195 3.681 1.00 0.00 O ATOM 211 CB LEU A 14 -5.066 -10.877 4.634 1.00 0.00 C ATOM 212 CG LEU A 14 -3.685 -11.385 4.123 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.553 -12.891 4.216 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.419 -10.916 2.703 1.00 0.00 C ATOM 0 H LEU A 14 -7.390 -10.275 5.323 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.039 -10.225 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.932 -9.851 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.332 -11.473 5.507 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.932 -10.951 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.573 -13.194 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.662 -13.202 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.329 -13.362 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.448 -11.286 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.197 -11.299 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.421 -9.826 2.673 1.00 0.00 H new ATOM 226 N ILE A 15 -6.184 -12.330 1.776 1.00 0.00 N ATOM 227 CA ILE A 15 -6.209 -13.548 1.054 1.00 0.00 C ATOM 228 C ILE A 15 -4.788 -13.974 0.719 1.00 0.00 C ATOM 229 O ILE A 15 -4.359 -15.062 1.096 1.00 0.00 O ATOM 230 CB ILE A 15 -7.088 -13.447 -0.214 1.00 0.00 C ATOM 231 CG1 ILE A 15 -8.541 -13.211 0.209 1.00 0.00 C ATOM 232 CG2 ILE A 15 -6.962 -14.699 -1.085 1.00 0.00 C ATOM 233 CD1 ILE A 15 -9.500 -13.089 -0.931 1.00 0.00 C ATOM 0 H ILE A 15 -5.892 -11.526 1.221 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.664 -14.313 1.683 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.746 -12.608 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.859 -14.033 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.590 -12.302 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.593 -14.593 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.924 -14.824 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.279 -15.572 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.506 -12.923 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.211 -12.248 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.484 -14.006 -1.520 1.00 0.00 H new ATOM 245 N LYS A 16 -4.026 -13.091 0.088 1.00 0.00 N ATOM 246 CA LYS A 16 -2.670 -13.447 -0.329 1.00 0.00 C ATOM 247 C LYS A 16 -1.853 -12.224 -0.687 1.00 0.00 C ATOM 248 O LYS A 16 -2.199 -11.501 -1.593 1.00 0.00 O ATOM 249 CB LYS A 16 -2.729 -14.409 -1.540 1.00 0.00 C ATOM 250 CG LYS A 16 -1.383 -14.771 -2.173 1.00 0.00 C ATOM 251 CD LYS A 16 -0.466 -15.513 -1.226 1.00 0.00 C ATOM 252 CE LYS A 16 0.861 -15.824 -1.901 1.00 0.00 C ATOM 253 NZ LYS A 16 1.791 -16.541 -1.005 1.00 0.00 N ATOM 0 H LYS A 16 -4.313 -12.140 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.182 -13.940 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.219 -15.330 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.360 -13.959 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.557 -15.384 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.889 -13.860 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.294 -14.913 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.941 -16.439 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.681 -16.426 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.324 -14.895 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.681 -16.731 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.985 -15.957 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.362 -17.441 -0.708 1.00 0.00 H new ATOM 267 N ALA A 17 -0.785 -12.001 0.026 1.00 0.00 N ATOM 268 CA ALA A 17 0.134 -10.921 -0.302 1.00 0.00 C ATOM 269 C ALA A 17 0.907 -11.313 -1.547 1.00 0.00 C ATOM 270 O ALA A 17 1.573 -12.355 -1.568 1.00 0.00 O ATOM 271 CB ALA A 17 1.066 -10.627 0.862 1.00 0.00 C ATOM 0 H ALA A 17 -0.519 -12.549 0.844 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.424 -10.005 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.742 -9.816 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.479 -10.334 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.646 -11.519 1.098 1.00 0.00 H new ATOM 277 N ILE A 18 0.808 -10.508 -2.585 1.00 0.00 N ATOM 278 CA ILE A 18 1.400 -10.878 -3.860 1.00 0.00 C ATOM 279 C ILE A 18 2.817 -10.295 -3.989 1.00 0.00 C ATOM 280 O ILE A 18 3.773 -10.989 -4.344 1.00 0.00 O ATOM 281 CB ILE A 18 0.540 -10.378 -5.042 1.00 0.00 C ATOM 282 CG1 ILE A 18 -0.947 -10.730 -4.848 1.00 0.00 C ATOM 283 CG2 ILE A 18 1.049 -10.969 -6.344 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.279 -12.207 -4.800 1.00 0.00 C ATOM 0 H ILE A 18 0.332 -9.606 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 18 1.448 -11.966 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 18 0.625 -9.292 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.291 -10.270 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.516 -10.276 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.436 -10.610 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.084 -10.665 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.993 -12.057 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.352 -12.334 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.976 -12.679 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.747 -12.673 -3.970 1.00 0.00 H new ATOM 296 N ASP A 19 2.938 -9.026 -3.684 1.00 0.00 N ATOM 297 CA ASP A 19 4.213 -8.307 -3.764 1.00 0.00 C ATOM 298 C ASP A 19 4.323 -7.428 -2.568 1.00 0.00 C ATOM 299 O ASP A 19 3.520 -7.536 -1.641 1.00 0.00 O ATOM 300 CB ASP A 19 4.308 -7.383 -5.011 1.00 0.00 C ATOM 301 CG ASP A 19 4.340 -8.081 -6.347 1.00 0.00 C ATOM 302 OD1 ASP A 19 5.448 -8.398 -6.841 1.00 0.00 O ATOM 303 OD2 ASP A 19 3.271 -8.278 -6.951 1.00 0.00 O ATOM 0 H ASP A 19 2.158 -8.448 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 19 5.004 -9.055 -3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.458 -6.701 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.207 -6.773 -4.920 1.00 0.00 H new ATOM 308 N GLY A 20 5.317 -6.575 -2.573 1.00 0.00 N ATOM 309 CA GLY A 20 5.446 -5.568 -1.558 1.00 0.00 C ATOM 310 C GLY A 20 4.384 -4.512 -1.699 1.00 0.00 C ATOM 311 O GLY A 20 4.063 -3.830 -0.750 1.00 0.00 O ATOM 0 H GLY A 20 6.054 -6.561 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.374 -6.030 -0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.432 -5.107 -1.623 1.00 0.00 H new ATOM 315 N ASP A 21 3.825 -4.383 -2.889 1.00 0.00 N ATOM 316 CA ASP A 21 2.790 -3.390 -3.110 1.00 0.00 C ATOM 317 C ASP A 21 1.557 -3.955 -3.820 1.00 0.00 C ATOM 318 O ASP A 21 0.684 -3.201 -4.271 1.00 0.00 O ATOM 319 CB ASP A 21 3.302 -2.091 -3.794 1.00 0.00 C ATOM 320 CG ASP A 21 3.842 -2.256 -5.190 1.00 0.00 C ATOM 321 OD1 ASP A 21 3.073 -2.485 -6.108 1.00 0.00 O ATOM 322 OD2 ASP A 21 5.064 -2.110 -5.387 1.00 0.00 O ATOM 0 H ASP A 21 4.066 -4.944 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 21 2.474 -3.100 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.484 -1.371 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.084 -1.658 -3.171 1.00 0.00 H new ATOM 327 N THR A 22 1.432 -5.265 -3.821 1.00 0.00 N ATOM 328 CA THR A 22 0.306 -5.916 -4.482 1.00 0.00 C ATOM 329 C THR A 22 -0.233 -6.995 -3.536 1.00 0.00 C ATOM 330 O THR A 22 0.538 -7.848 -3.059 1.00 0.00 O ATOM 331 CB THR A 22 0.752 -6.581 -5.811 1.00 0.00 C ATOM 332 OG1 THR A 22 1.781 -5.811 -6.453 1.00 0.00 O ATOM 333 CG2 THR A 22 -0.412 -6.680 -6.757 1.00 0.00 C ATOM 0 H THR A 22 2.090 -5.904 -3.375 1.00 0.00 H new ATOM 0 HA THR A 22 -0.459 -5.174 -4.713 1.00 0.00 H new ATOM 0 HB THR A 22 1.133 -7.573 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.429 -6.416 -6.871 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.087 -7.148 -7.686 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.199 -7.282 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.795 -5.682 -6.968 1.00 0.00 H new ATOM 341 N VAL A 23 -1.523 -6.963 -3.218 1.00 0.00 N ATOM 342 CA VAL A 23 -2.054 -7.904 -2.217 1.00 0.00 C ATOM 343 C VAL A 23 -3.467 -8.355 -2.573 1.00 0.00 C ATOM 344 O VAL A 23 -4.312 -7.538 -2.801 1.00 0.00 O ATOM 345 CB VAL A 23 -2.199 -7.231 -0.827 1.00 0.00 C ATOM 346 CG1 VAL A 23 -2.343 -8.232 0.298 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.143 -6.203 -0.539 1.00 0.00 C ATOM 0 H VAL A 23 -2.207 -6.321 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.349 -8.735 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.138 -6.681 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.441 -7.703 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.230 -8.843 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.462 -8.873 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.310 -5.777 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.160 -6.673 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.191 -5.412 -1.288 1.00 0.00 H new ATOM 357 N LYS A 24 -3.740 -9.631 -2.564 1.00 0.00 N ATOM 358 CA LYS A 24 -5.097 -10.071 -2.753 1.00 0.00 C ATOM 359 C LYS A 24 -5.812 -10.041 -1.472 1.00 0.00 C ATOM 360 O LYS A 24 -5.439 -10.751 -0.498 1.00 0.00 O ATOM 361 CB LYS A 24 -5.291 -11.446 -3.392 1.00 0.00 C ATOM 362 CG LYS A 24 -4.990 -11.501 -4.878 1.00 0.00 C ATOM 363 CD LYS A 24 -5.314 -12.861 -5.468 1.00 0.00 C ATOM 364 CE LYS A 24 -6.788 -12.962 -5.854 1.00 0.00 C ATOM 365 NZ LYS A 24 -7.093 -12.103 -7.026 1.00 0.00 N ATOM 0 H LYS A 24 -3.055 -10.374 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.503 -9.364 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.652 -12.164 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.321 -11.764 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.567 -10.734 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.937 -11.274 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.693 -13.036 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.071 -13.640 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.037 -13.998 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.410 -12.665 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.031 -11.670 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.374 -11.356 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.088 -12.681 -7.891 1.00 0.00 H new ATOM 379 N LEU A 25 -6.792 -9.216 -1.445 1.00 0.00 N ATOM 380 CA LEU A 25 -7.640 -9.084 -0.324 1.00 0.00 C ATOM 381 C LEU A 25 -9.066 -9.370 -0.747 1.00 0.00 C ATOM 382 O LEU A 25 -9.400 -9.299 -1.923 1.00 0.00 O ATOM 383 CB LEU A 25 -7.555 -7.671 0.210 1.00 0.00 C ATOM 384 CG LEU A 25 -6.168 -7.166 0.573 1.00 0.00 C ATOM 385 CD1 LEU A 25 -6.213 -5.692 0.816 1.00 0.00 C ATOM 386 CD2 LEU A 25 -5.636 -7.876 1.799 1.00 0.00 C ATOM 0 H LEU A 25 -7.031 -8.599 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.333 -9.786 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.979 -6.998 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.186 -7.603 1.096 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.497 -7.376 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.216 -5.335 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.556 -5.185 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.899 -5.479 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.642 -7.496 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.304 -7.698 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.578 -8.947 1.603 1.00 0.00 H new ATOM 398 N MET A 26 -9.853 -9.749 0.196 1.00 0.00 N ATOM 399 CA MET A 26 -11.263 -9.939 0.037 1.00 0.00 C ATOM 400 C MET A 26 -11.915 -8.640 0.230 1.00 0.00 C ATOM 401 O MET A 26 -11.789 -8.054 1.288 1.00 0.00 O ATOM 402 CB MET A 26 -11.781 -10.883 1.091 1.00 0.00 C ATOM 403 CG MET A 26 -13.302 -10.991 1.158 1.00 0.00 C ATOM 404 SD MET A 26 -13.885 -12.680 1.202 1.00 0.00 S ATOM 405 CE MET A 26 -13.499 -13.167 -0.475 1.00 0.00 C ATOM 0 H MET A 26 -9.525 -9.945 1.142 1.00 0.00 H new ATOM 0 HA MET A 26 -11.469 -10.350 -0.951 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.368 -11.875 0.906 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.410 -10.559 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.659 -10.467 2.045 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.734 -10.486 0.294 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.344 -13.708 -0.901 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.297 -12.279 -1.074 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.620 -13.811 -0.474 1.00 0.00 H new ATOM 415 N TYR A 27 -12.597 -8.216 -0.744 1.00 0.00 N ATOM 416 CA TYR A 27 -13.256 -6.992 -0.736 1.00 0.00 C ATOM 417 C TYR A 27 -14.643 -7.212 -1.265 1.00 0.00 C ATOM 418 O TYR A 27 -14.832 -7.816 -2.346 1.00 0.00 O ATOM 419 CB TYR A 27 -12.451 -6.003 -1.570 1.00 0.00 C ATOM 420 CG TYR A 27 -13.156 -4.705 -1.949 1.00 0.00 C ATOM 421 CD1 TYR A 27 -13.138 -3.595 -1.111 1.00 0.00 C ATOM 422 CD2 TYR A 27 -13.834 -4.593 -3.158 1.00 0.00 C ATOM 423 CE1 TYR A 27 -13.776 -2.428 -1.467 1.00 0.00 C ATOM 424 CE2 TYR A 27 -14.473 -3.425 -3.515 1.00 0.00 C ATOM 425 CZ TYR A 27 -14.439 -2.347 -2.664 1.00 0.00 C ATOM 426 OH TYR A 27 -15.072 -1.172 -3.016 1.00 0.00 O ATOM 0 H TYR A 27 -12.716 -8.740 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.342 -6.573 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.544 -5.751 -1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.140 -6.503 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.616 -3.649 -0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.860 -5.438 -3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.754 -1.576 -0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.997 -3.358 -4.457 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.494 -1.278 -3.894 1.00 0.00 H new ATOM 436 N LYS A 28 -15.593 -6.905 -0.419 1.00 0.00 N ATOM 437 CA LYS A 28 -17.016 -6.939 -0.725 1.00 0.00 C ATOM 438 C LYS A 28 -17.441 -8.398 -0.905 1.00 0.00 C ATOM 439 O LYS A 28 -18.442 -8.715 -1.540 1.00 0.00 O ATOM 440 CB LYS A 28 -17.328 -6.067 -1.973 1.00 0.00 C ATOM 441 CG LYS A 28 -18.809 -5.800 -2.249 1.00 0.00 C ATOM 442 CD LYS A 28 -19.466 -5.013 -1.120 1.00 0.00 C ATOM 443 CE LYS A 28 -20.913 -4.667 -1.447 1.00 0.00 C ATOM 444 NZ LYS A 28 -21.028 -3.825 -2.667 1.00 0.00 N ATOM 0 H LYS A 28 -15.399 -6.613 0.539 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.592 -6.513 0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.821 -5.109 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.897 -6.553 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.910 -5.247 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.330 -6.748 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.430 -5.596 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.904 -4.097 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.482 -5.586 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.359 -4.142 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.979 -3.406 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.317 -3.067 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.869 -4.412 -3.510 1.00 0.00 H new ATOM 458 N GLY A 29 -16.668 -9.269 -0.300 1.00 0.00 N ATOM 459 CA GLY A 29 -16.924 -10.664 -0.379 1.00 0.00 C ATOM 460 C GLY A 29 -16.212 -11.324 -1.539 1.00 0.00 C ATOM 461 O GLY A 29 -16.375 -12.529 -1.748 1.00 0.00 O ATOM 0 H GLY A 29 -15.850 -9.019 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.613 -11.140 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.997 -10.827 -0.477 1.00 0.00 H new ATOM 465 N GLN A 30 -15.406 -10.567 -2.300 1.00 0.00 N ATOM 466 CA GLN A 30 -14.722 -11.137 -3.431 1.00 0.00 C ATOM 467 C GLN A 30 -13.225 -10.830 -3.401 1.00 0.00 C ATOM 468 O GLN A 30 -12.821 -9.764 -2.950 1.00 0.00 O ATOM 469 CB GLN A 30 -15.358 -10.628 -4.700 1.00 0.00 C ATOM 470 CG GLN A 30 -16.784 -11.105 -4.872 1.00 0.00 C ATOM 471 CD GLN A 30 -17.433 -10.640 -6.152 1.00 0.00 C ATOM 472 OE1 GLN A 30 -17.118 -9.570 -6.692 1.00 0.00 O ATOM 473 NE2 GLN A 30 -18.338 -11.431 -6.654 1.00 0.00 N ATOM 0 H GLN A 30 -15.225 -9.576 -2.142 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.818 -12.222 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.342 -9.538 -4.698 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.765 -10.954 -5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.798 -12.195 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.378 -10.756 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.571 -12.304 -6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -18.814 -11.177 -7.520 1.00 0.00 H new ATOM 482 N PRO A 31 -12.375 -11.778 -3.831 1.00 0.00 N ATOM 483 CA PRO A 31 -10.928 -11.579 -3.871 1.00 0.00 C ATOM 484 C PRO A 31 -10.511 -10.597 -4.946 1.00 0.00 C ATOM 485 O PRO A 31 -10.954 -10.688 -6.096 1.00 0.00 O ATOM 486 CB PRO A 31 -10.366 -12.963 -4.223 1.00 0.00 C ATOM 487 CG PRO A 31 -11.491 -13.907 -4.039 1.00 0.00 C ATOM 488 CD PRO A 31 -12.737 -13.123 -4.306 1.00 0.00 C ATOM 0 HA PRO A 31 -10.566 -11.175 -2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.997 -12.987 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.527 -13.222 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.407 -14.751 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.496 -14.315 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.997 -13.123 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.594 -13.527 -3.767 1.00 0.00 H new ATOM 496 N MET A 32 -9.653 -9.687 -4.592 1.00 0.00 N ATOM 497 CA MET A 32 -9.149 -8.732 -5.529 1.00 0.00 C ATOM 498 C MET A 32 -7.731 -8.430 -5.177 1.00 0.00 C ATOM 499 O MET A 32 -7.363 -8.392 -4.000 1.00 0.00 O ATOM 500 CB MET A 32 -10.000 -7.447 -5.564 1.00 0.00 C ATOM 501 CG MET A 32 -9.773 -6.606 -6.828 1.00 0.00 C ATOM 502 SD MET A 32 -10.768 -5.099 -6.906 1.00 0.00 S ATOM 503 CE MET A 32 -10.110 -4.194 -5.522 1.00 0.00 C ATOM 0 H MET A 32 -9.284 -9.587 -3.646 1.00 0.00 H new ATOM 0 HA MET A 32 -9.202 -9.157 -6.531 1.00 0.00 H new ATOM 0 HB2 MET A 32 -11.054 -7.715 -5.498 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.770 -6.842 -4.687 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.719 -6.335 -6.886 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.993 -7.219 -7.702 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.971 -3.150 -5.803 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.804 -4.255 -4.684 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.151 -4.622 -5.230 1.00 0.00 H new ATOM 513 N THR A 33 -6.937 -8.283 -6.174 1.00 0.00 N ATOM 514 CA THR A 33 -5.564 -8.018 -6.015 1.00 0.00 C ATOM 515 C THR A 33 -5.370 -6.512 -5.889 1.00 0.00 C ATOM 516 O THR A 33 -5.443 -5.798 -6.853 1.00 0.00 O ATOM 517 CB THR A 33 -4.822 -8.559 -7.233 1.00 0.00 C ATOM 518 OG1 THR A 33 -5.392 -9.845 -7.573 1.00 0.00 O ATOM 519 CG2 THR A 33 -3.363 -8.750 -6.902 1.00 0.00 C ATOM 0 H THR A 33 -7.237 -8.346 -7.147 1.00 0.00 H new ATOM 0 HA THR A 33 -5.173 -8.500 -5.119 1.00 0.00 H new ATOM 0 HB THR A 33 -4.914 -7.859 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.930 -10.211 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.839 -9.137 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.928 -7.794 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.266 -9.458 -6.079 1.00 0.00 H new ATOM 527 N PHE A 34 -5.199 -6.061 -4.693 1.00 0.00 N ATOM 528 CA PHE A 34 -5.039 -4.677 -4.382 1.00 0.00 C ATOM 529 C PHE A 34 -3.640 -4.191 -4.649 1.00 0.00 C ATOM 530 O PHE A 34 -2.692 -4.986 -4.759 1.00 0.00 O ATOM 531 CB PHE A 34 -5.420 -4.385 -2.949 1.00 0.00 C ATOM 532 CG PHE A 34 -6.886 -4.358 -2.678 1.00 0.00 C ATOM 533 CD1 PHE A 34 -7.616 -5.517 -2.544 1.00 0.00 C ATOM 534 CD2 PHE A 34 -7.528 -3.144 -2.531 1.00 0.00 C ATOM 535 CE1 PHE A 34 -8.964 -5.465 -2.268 1.00 0.00 C ATOM 536 CE2 PHE A 34 -8.867 -3.084 -2.260 1.00 0.00 C ATOM 537 CZ PHE A 34 -9.587 -4.242 -2.126 1.00 0.00 C ATOM 0 H PHE A 34 -5.165 -6.667 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.715 -4.135 -5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.961 -5.137 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.996 -3.422 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.128 -6.474 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.964 -2.228 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.531 -6.378 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.355 -2.127 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.644 -4.197 -1.909 1.00 0.00 H new ATOM 547 N ARG A 35 -3.529 -2.896 -4.723 1.00 0.00 N ATOM 548 CA ARG A 35 -2.345 -2.203 -5.065 1.00 0.00 C ATOM 549 C ARG A 35 -2.143 -1.129 -4.033 1.00 0.00 C ATOM 550 O ARG A 35 -3.071 -0.355 -3.756 1.00 0.00 O ATOM 551 CB ARG A 35 -2.601 -1.554 -6.405 1.00 0.00 C ATOM 552 CG ARG A 35 -1.409 -1.437 -7.332 1.00 0.00 C ATOM 553 CD ARG A 35 -0.386 -0.446 -6.834 1.00 0.00 C ATOM 554 NE ARG A 35 0.509 -0.019 -7.897 1.00 0.00 N ATOM 555 CZ ARG A 35 1.705 0.523 -7.717 1.00 0.00 C ATOM 556 NH1 ARG A 35 2.226 0.581 -6.503 1.00 0.00 N ATOM 557 NH2 ARG A 35 2.370 1.020 -8.762 1.00 0.00 N ATOM 0 H ARG A 35 -4.313 -2.271 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.473 -2.856 -5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.378 -2.121 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.998 -0.554 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.940 -2.415 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.751 -1.135 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.894 0.422 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.194 -0.895 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 35 0.191 -0.147 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.708 0.209 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.146 0.998 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.957 0.982 -9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.291 1.438 -8.629 1.00 0.00 H new ATOM 571 N LEU A 36 -0.975 -1.062 -3.470 1.00 0.00 N ATOM 572 CA LEU A 36 -0.710 -0.055 -2.480 1.00 0.00 C ATOM 573 C LEU A 36 -0.524 1.274 -3.152 1.00 0.00 C ATOM 574 O LEU A 36 0.421 1.479 -3.938 1.00 0.00 O ATOM 575 CB LEU A 36 0.520 -0.357 -1.651 1.00 0.00 C ATOM 576 CG LEU A 36 0.685 -1.757 -1.092 1.00 0.00 C ATOM 577 CD1 LEU A 36 1.890 -1.791 -0.191 1.00 0.00 C ATOM 578 CD2 LEU A 36 -0.532 -2.231 -0.350 1.00 0.00 C ATOM 0 H LEU A 36 -0.194 -1.685 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.568 -0.038 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.395 -0.138 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.535 0.339 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 36 0.822 -2.437 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.013 -2.795 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.778 -1.518 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.752 -1.084 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.358 -3.238 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.734 -1.560 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.389 -2.239 -1.024 1.00 0.00 H new ATOM 590 N LEU A 37 -1.477 2.115 -2.925 1.00 0.00 N ATOM 591 CA LEU A 37 -1.436 3.502 -3.360 1.00 0.00 C ATOM 592 C LEU A 37 -0.167 4.197 -2.974 1.00 0.00 C ATOM 593 O LEU A 37 0.287 4.119 -1.835 1.00 0.00 O ATOM 594 CB LEU A 37 -2.538 4.330 -2.763 1.00 0.00 C ATOM 595 CG LEU A 37 -3.715 4.736 -3.643 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.264 6.010 -3.201 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.315 4.978 -4.986 1.00 0.00 C ATOM 0 H LEU A 37 -2.330 1.869 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.533 3.432 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.938 3.781 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.089 5.243 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.428 3.914 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.103 6.286 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.606 5.921 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.494 6.779 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.184 5.264 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.580 5.783 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.874 4.073 -5.403 1.00 0.00 H new ATOM 609 N LEU A 38 0.338 4.902 -3.933 1.00 0.00 N ATOM 610 CA LEU A 38 1.484 5.778 -3.822 1.00 0.00 C ATOM 611 C LEU A 38 2.814 5.067 -3.504 1.00 0.00 C ATOM 612 O LEU A 38 3.811 5.711 -3.177 1.00 0.00 O ATOM 613 CB LEU A 38 1.251 6.989 -2.873 1.00 0.00 C ATOM 614 CG LEU A 38 0.373 8.150 -3.417 1.00 0.00 C ATOM 615 CD1 LEU A 38 1.071 8.807 -4.593 1.00 0.00 C ATOM 616 CD2 LEU A 38 -0.984 7.644 -3.866 1.00 0.00 C ATOM 0 H LEU A 38 -0.053 4.889 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 38 1.592 6.172 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.793 6.618 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.224 7.398 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 38 0.228 8.872 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.454 9.621 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.034 9.202 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.227 8.071 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.577 8.478 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.853 6.906 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.498 7.184 -3.022 1.00 0.00 H new ATOM 628 N VAL A 39 2.864 3.788 -3.750 1.00 0.00 N ATOM 629 CA VAL A 39 3.969 2.952 -3.277 1.00 0.00 C ATOM 630 C VAL A 39 4.769 2.376 -4.422 1.00 0.00 C ATOM 631 O VAL A 39 4.211 1.992 -5.451 1.00 0.00 O ATOM 632 CB VAL A 39 3.426 1.794 -2.389 1.00 0.00 C ATOM 633 CG1 VAL A 39 4.503 0.832 -1.968 1.00 0.00 C ATOM 634 CG2 VAL A 39 2.781 2.342 -1.164 1.00 0.00 C ATOM 0 H VAL A 39 2.153 3.283 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 39 4.630 3.590 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 39 2.702 1.253 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.068 0.046 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.960 0.388 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.262 1.364 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.406 1.522 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.512 2.915 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.953 2.991 -1.448 1.00 0.00 H new ATOM 644 N ASP A 40 6.065 2.372 -4.271 1.00 0.00 N ATOM 645 CA ASP A 40 6.936 1.748 -5.241 1.00 0.00 C ATOM 646 C ASP A 40 7.830 0.777 -4.509 1.00 0.00 C ATOM 647 O ASP A 40 8.799 1.203 -3.869 1.00 0.00 O ATOM 648 CB ASP A 40 7.804 2.803 -5.845 1.00 0.00 C ATOM 649 CG ASP A 40 8.322 2.495 -7.224 1.00 0.00 C ATOM 650 OD1 ASP A 40 9.243 1.690 -7.366 1.00 0.00 O ATOM 651 OD2 ASP A 40 7.858 3.137 -8.181 1.00 0.00 O ATOM 0 H ASP A 40 6.549 2.797 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 40 6.352 1.242 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.240 3.735 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.654 2.973 -5.185 1.00 0.00 H new ATOM 656 N THR A 41 7.473 -0.478 -4.498 1.00 0.00 N ATOM 657 CA THR A 41 8.335 -1.473 -3.856 1.00 0.00 C ATOM 658 C THR A 41 9.223 -2.139 -4.882 1.00 0.00 C ATOM 659 O THR A 41 8.841 -2.248 -6.066 1.00 0.00 O ATOM 660 CB THR A 41 7.578 -2.572 -3.057 1.00 0.00 C ATOM 661 OG1 THR A 41 6.707 -3.347 -3.890 1.00 0.00 O ATOM 662 CG2 THR A 41 6.811 -1.978 -1.917 1.00 0.00 C ATOM 0 H THR A 41 6.616 -0.845 -4.911 1.00 0.00 H new ATOM 0 HA THR A 41 8.922 -0.910 -3.130 1.00 0.00 H new ATOM 0 HB THR A 41 8.336 -3.245 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.109 -2.748 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.292 -2.769 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.499 -1.468 -1.242 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.083 -1.263 -2.301 1.00 0.00 H new ATOM 891 N GLY A 55 12.471 -7.343 -2.135 1.00 0.00 N ATOM 892 CA GLY A 55 11.186 -7.775 -2.512 1.00 0.00 C ATOM 893 C GLY A 55 10.567 -8.620 -1.440 1.00 0.00 C ATOM 894 O GLY A 55 9.466 -8.326 -1.019 1.00 0.00 O ATOM 0 HA2 GLY A 55 10.552 -6.911 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.248 -8.345 -3.439 1.00 0.00 H new ATOM 898 N PRO A 56 11.252 -9.700 -0.949 1.00 0.00 N ATOM 899 CA PRO A 56 10.729 -10.526 0.120 1.00 0.00 C ATOM 900 C PRO A 56 10.528 -9.737 1.397 1.00 0.00 C ATOM 901 O PRO A 56 9.580 -9.965 2.102 1.00 0.00 O ATOM 902 CB PRO A 56 11.806 -11.588 0.300 1.00 0.00 C ATOM 903 CG PRO A 56 13.026 -10.963 -0.219 1.00 0.00 C ATOM 904 CD PRO A 56 12.558 -10.233 -1.407 1.00 0.00 C ATOM 0 HA PRO A 56 9.748 -10.939 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.917 -11.867 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.562 -12.498 -0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.476 -10.292 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.780 -11.707 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 56 13.245 -9.437 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.450 -10.888 -2.272 1.00 0.00 H new ATOM 912 N GLU A 57 11.418 -8.789 1.665 1.00 0.00 N ATOM 913 CA GLU A 57 11.292 -7.934 2.833 1.00 0.00 C ATOM 914 C GLU A 57 9.996 -7.126 2.731 1.00 0.00 C ATOM 915 O GLU A 57 9.132 -7.172 3.632 1.00 0.00 O ATOM 916 CB GLU A 57 12.492 -6.975 2.967 1.00 0.00 C ATOM 917 CG GLU A 57 13.834 -7.601 3.368 1.00 0.00 C ATOM 918 CD GLU A 57 14.365 -8.627 2.400 1.00 0.00 C ATOM 919 OE1 GLU A 57 14.819 -8.264 1.306 1.00 0.00 O ATOM 920 OE2 GLU A 57 14.383 -9.821 2.747 1.00 0.00 O ATOM 0 H GLU A 57 12.235 -8.595 1.086 1.00 0.00 H new ATOM 0 HA GLU A 57 11.271 -8.569 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.627 -6.463 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.238 -6.213 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.572 -6.806 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.724 -8.068 4.347 1.00 0.00 H new ATOM 927 N ALA A 58 9.840 -6.451 1.602 1.00 0.00 N ATOM 928 CA ALA A 58 8.668 -5.625 1.339 1.00 0.00 C ATOM 929 C ALA A 58 7.430 -6.463 1.355 1.00 0.00 C ATOM 930 O ALA A 58 6.494 -6.195 2.123 1.00 0.00 O ATOM 931 CB ALA A 58 8.802 -4.915 -0.003 1.00 0.00 C ATOM 0 H ALA A 58 10.521 -6.459 0.842 1.00 0.00 H new ATOM 0 HA ALA A 58 8.595 -4.872 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.917 -4.304 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.687 -4.278 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.898 -5.655 -0.798 1.00 0.00 H new ATOM 937 N SER A 59 7.462 -7.530 0.580 1.00 0.00 N ATOM 938 CA SER A 59 6.317 -8.385 0.438 1.00 0.00 C ATOM 939 C SER A 59 5.930 -8.979 1.770 1.00 0.00 C ATOM 940 O SER A 59 4.761 -9.061 2.070 1.00 0.00 O ATOM 941 CB SER A 59 6.555 -9.492 -0.591 1.00 0.00 C ATOM 942 OG SER A 59 5.330 -10.130 -0.944 1.00 0.00 O ATOM 0 H SER A 59 8.277 -7.820 0.039 1.00 0.00 H new ATOM 0 HA SER A 59 5.495 -7.769 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.021 -9.072 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.249 -10.228 -0.185 1.00 0.00 H new ATOM 0 HG SER A 59 5.506 -10.833 -1.604 1.00 0.00 H new ATOM 948 N ALA A 60 6.912 -9.316 2.602 1.00 0.00 N ATOM 949 CA ALA A 60 6.629 -9.934 3.856 1.00 0.00 C ATOM 950 C ALA A 60 6.236 -8.921 4.874 1.00 0.00 C ATOM 951 O ALA A 60 5.587 -9.267 5.825 1.00 0.00 O ATOM 952 CB ALA A 60 7.755 -10.816 4.353 1.00 0.00 C ATOM 0 H ALA A 60 7.903 -9.164 2.414 1.00 0.00 H new ATOM 0 HA ALA A 60 5.781 -10.598 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.477 -11.256 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.942 -11.610 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.658 -10.218 4.477 1.00 0.00 H new ATOM 958 N PHE A 61 6.636 -7.670 4.693 1.00 0.00 N ATOM 959 CA PHE A 61 6.166 -6.620 5.583 1.00 0.00 C ATOM 960 C PHE A 61 4.702 -6.325 5.277 1.00 0.00 C ATOM 961 O PHE A 61 3.855 -6.238 6.207 1.00 0.00 O ATOM 962 CB PHE A 61 6.984 -5.352 5.442 1.00 0.00 C ATOM 963 CG PHE A 61 6.726 -4.377 6.557 1.00 0.00 C ATOM 964 CD1 PHE A 61 5.688 -3.466 6.478 1.00 0.00 C ATOM 965 CD2 PHE A 61 7.515 -4.384 7.688 1.00 0.00 C ATOM 966 CE1 PHE A 61 5.446 -2.585 7.500 1.00 0.00 C ATOM 967 CE2 PHE A 61 7.275 -3.500 8.720 1.00 0.00 C ATOM 968 CZ PHE A 61 6.238 -2.598 8.624 1.00 0.00 C ATOM 0 H PHE A 61 7.270 -7.363 3.956 1.00 0.00 H new ATOM 0 HA PHE A 61 6.276 -6.969 6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.044 -5.607 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.753 -4.878 4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.060 -3.449 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.329 -5.089 7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.632 -1.880 7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.899 -3.515 9.601 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.048 -1.903 9.429 1.00 0.00 H new ATOM 978 N THR A 62 4.396 -6.176 3.987 1.00 0.00 N ATOM 979 CA THR A 62 3.028 -5.976 3.557 1.00 0.00 C ATOM 980 C THR A 62 2.206 -7.165 4.042 1.00 0.00 C ATOM 981 O THR A 62 1.167 -7.010 4.737 1.00 0.00 O ATOM 982 CB THR A 62 2.972 -5.882 2.014 1.00 0.00 C ATOM 983 OG1 THR A 62 4.011 -5.024 1.597 1.00 0.00 O ATOM 984 CG2 THR A 62 1.647 -5.300 1.564 1.00 0.00 C ATOM 0 H THR A 62 5.080 -6.191 3.231 1.00 0.00 H new ATOM 0 HA THR A 62 2.629 -5.050 3.970 1.00 0.00 H new ATOM 0 HB THR A 62 3.080 -6.877 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.777 -4.622 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.626 -5.242 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.833 -5.938 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.527 -4.301 1.983 1.00 0.00 H new ATOM 992 N LYS A 63 2.760 -8.350 3.786 1.00 0.00 N ATOM 993 CA LYS A 63 2.168 -9.596 4.171 1.00 0.00 C ATOM 994 C LYS A 63 1.991 -9.659 5.658 1.00 0.00 C ATOM 995 O LYS A 63 0.967 -10.099 6.121 1.00 0.00 O ATOM 996 CB LYS A 63 2.989 -10.760 3.620 1.00 0.00 C ATOM 997 CG LYS A 63 3.384 -11.790 4.600 1.00 0.00 C ATOM 998 CD LYS A 63 4.148 -12.884 3.954 1.00 0.00 C ATOM 999 CE LYS A 63 4.306 -14.018 4.928 1.00 0.00 C ATOM 1000 NZ LYS A 63 5.128 -15.116 4.391 1.00 0.00 N ATOM 0 H LYS A 63 3.648 -8.455 3.296 1.00 0.00 H new ATOM 0 HA LYS A 63 1.171 -9.675 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.416 -11.241 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.892 -10.357 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.989 -11.335 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.495 -12.199 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.629 -13.227 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.126 -12.523 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.761 -13.644 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.322 -14.403 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.205 -15.871 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.683 -15.494 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.077 -14.759 4.161 1.00 0.00 H new ATOM 1014 N LYS A 64 2.984 -9.175 6.383 1.00 0.00 N ATOM 1015 CA LYS A 64 2.953 -9.092 7.802 1.00 0.00 C ATOM 1016 C LYS A 64 1.722 -8.317 8.159 1.00 0.00 C ATOM 1017 O LYS A 64 0.769 -8.888 8.624 1.00 0.00 O ATOM 1018 CB LYS A 64 4.255 -8.390 8.303 1.00 0.00 C ATOM 1019 CG LYS A 64 4.504 -8.268 9.804 1.00 0.00 C ATOM 1020 CD LYS A 64 3.543 -7.350 10.501 1.00 0.00 C ATOM 1021 CE LYS A 64 3.928 -7.163 11.948 1.00 0.00 C ATOM 1022 NZ LYS A 64 3.026 -6.246 12.657 1.00 0.00 N ATOM 0 H LYS A 64 3.850 -8.824 5.974 1.00 0.00 H new ATOM 0 HA LYS A 64 2.917 -10.073 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.102 -8.924 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.267 -7.383 7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.440 -9.258 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.520 -7.908 9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.527 -6.384 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.534 -7.758 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.924 -8.131 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.947 -6.780 12.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.334 -6.152 13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.048 -5.313 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.057 -6.623 12.630 1.00 0.00 H new ATOM 1036 N MET A 65 1.688 -7.059 7.796 1.00 0.00 N ATOM 1037 CA MET A 65 0.563 -6.203 8.170 1.00 0.00 C ATOM 1038 C MET A 65 -0.774 -6.794 7.787 1.00 0.00 C ATOM 1039 O MET A 65 -1.698 -6.829 8.601 1.00 0.00 O ATOM 1040 CB MET A 65 0.700 -4.854 7.558 1.00 0.00 C ATOM 1041 CG MET A 65 1.880 -4.100 8.092 1.00 0.00 C ATOM 1042 SD MET A 65 2.101 -2.469 7.369 1.00 0.00 S ATOM 1043 CE MET A 65 0.659 -1.612 7.981 1.00 0.00 C ATOM 0 H MET A 65 2.413 -6.598 7.247 1.00 0.00 H new ATOM 0 HA MET A 65 0.591 -6.121 9.257 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.797 -4.957 6.477 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.208 -4.280 7.743 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.772 -3.995 9.171 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.781 -4.687 7.918 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.920 -0.579 8.212 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.123 -1.628 7.222 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.298 -2.105 8.884 1.00 0.00 H new ATOM 1053 N VAL A 66 -0.836 -7.392 6.630 1.00 0.00 N ATOM 1054 CA VAL A 66 -2.130 -7.839 6.149 1.00 0.00 C ATOM 1055 C VAL A 66 -2.547 -9.155 6.760 1.00 0.00 C ATOM 1056 O VAL A 66 -3.721 -9.383 7.002 1.00 0.00 O ATOM 1057 CB VAL A 66 -2.291 -7.820 4.606 1.00 0.00 C ATOM 1058 CG1 VAL A 66 -2.260 -6.386 4.096 1.00 0.00 C ATOM 1059 CG2 VAL A 66 -1.214 -8.639 3.928 1.00 0.00 C ATOM 0 H VAL A 66 -0.043 -7.580 6.016 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.831 -7.083 6.503 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.254 -8.268 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.374 -6.383 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.075 -5.821 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.309 -5.926 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.356 -8.604 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.235 -8.231 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.274 -9.673 4.269 1.00 0.00 H new ATOM 1069 N GLU A 67 -1.586 -9.991 7.078 1.00 0.00 N ATOM 1070 CA GLU A 67 -1.885 -11.263 7.699 1.00 0.00 C ATOM 1071 C GLU A 67 -2.098 -11.063 9.186 1.00 0.00 C ATOM 1072 O GLU A 67 -2.812 -11.820 9.849 1.00 0.00 O ATOM 1073 CB GLU A 67 -0.759 -12.272 7.492 1.00 0.00 C ATOM 1074 CG GLU A 67 -0.510 -12.718 6.046 1.00 0.00 C ATOM 1075 CD GLU A 67 0.447 -13.875 5.935 1.00 0.00 C ATOM 1076 OE1 GLU A 67 1.307 -14.045 6.824 1.00 0.00 O ATOM 1077 OE2 GLU A 67 0.350 -14.656 4.957 1.00 0.00 O ATOM 0 H GLU A 67 -0.594 -9.816 6.918 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.788 -11.656 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.163 -11.842 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.976 -13.156 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.460 -12.997 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.118 -11.876 5.476 1.00 0.00 H new ATOM 1084 N ASN A 68 -1.461 -10.038 9.706 1.00 0.00 N ATOM 1085 CA ASN A 68 -1.508 -9.702 11.084 1.00 0.00 C ATOM 1086 C ASN A 68 -2.740 -8.949 11.382 1.00 0.00 C ATOM 1087 O ASN A 68 -3.260 -8.994 12.497 1.00 0.00 O ATOM 1088 CB ASN A 68 -0.285 -8.891 11.439 1.00 0.00 C ATOM 1089 CG ASN A 68 1.005 -9.678 11.487 1.00 0.00 C ATOM 1090 OD1 ASN A 68 1.870 -9.433 12.317 1.00 0.00 O ATOM 1091 ND2 ASN A 68 1.160 -10.586 10.569 1.00 0.00 N ATOM 0 H ASN A 68 -0.883 -9.406 9.153 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.516 -10.613 11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.176 -8.086 10.712 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.446 -8.424 12.411 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.026 -11.123 10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.415 -10.761 9.894 1.00 0.00 H new ATOM 1098 N ALA A 69 -3.210 -8.238 10.412 1.00 0.00 N ATOM 1099 CA ALA A 69 -4.413 -7.554 10.550 1.00 0.00 C ATOM 1100 C ALA A 69 -5.566 -8.499 10.515 1.00 0.00 C ATOM 1101 O ALA A 69 -5.643 -9.423 9.705 1.00 0.00 O ATOM 1102 CB ALA A 69 -4.585 -6.508 9.502 1.00 0.00 C ATOM 0 H ALA A 69 -2.755 -8.127 9.506 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.385 -7.056 11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.538 -5.999 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.773 -5.785 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.570 -6.974 8.517 1.00 0.00 H new ATOM 1108 N LYS A 70 -6.436 -8.270 11.406 1.00 0.00 N ATOM 1109 CA LYS A 70 -7.674 -8.979 11.475 1.00 0.00 C ATOM 1110 C LYS A 70 -8.668 -8.169 10.719 1.00 0.00 C ATOM 1111 O LYS A 70 -9.707 -8.637 10.322 1.00 0.00 O ATOM 1112 CB LYS A 70 -8.144 -9.172 12.928 1.00 0.00 C ATOM 1113 CG LYS A 70 -7.380 -10.162 13.742 1.00 0.00 C ATOM 1114 CD LYS A 70 -6.036 -9.599 14.113 1.00 0.00 C ATOM 1115 CE LYS A 70 -5.298 -10.523 14.990 1.00 0.00 C ATOM 1116 NZ LYS A 70 -4.932 -11.784 14.308 1.00 0.00 N ATOM 0 H LYS A 70 -6.320 -7.568 12.137 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.558 -9.977 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.101 -8.207 13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.190 -9.477 12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.939 -10.412 14.643 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.253 -11.087 13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.456 -9.409 13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.166 -8.641 14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.393 -10.033 15.349 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.906 -10.751 15.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.261 -12.316 14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.787 -12.356 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.490 -11.568 13.392 1.00 0.00 H new ATOM 1130 N LYS A 71 -8.300 -6.932 10.512 1.00 0.00 N ATOM 1131 CA LYS A 71 -9.068 -6.019 9.819 1.00 0.00 C ATOM 1132 C LYS A 71 -8.222 -5.270 8.866 1.00 0.00 C ATOM 1133 O LYS A 71 -7.276 -4.606 9.239 1.00 0.00 O ATOM 1134 CB LYS A 71 -9.765 -5.042 10.714 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.921 -4.135 11.554 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.302 -4.819 12.775 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.338 -5.196 13.820 1.00 0.00 C ATOM 1138 NZ LYS A 71 -9.938 -4.005 14.447 1.00 0.00 N ATOM 0 H LYS A 71 -7.416 -6.550 10.849 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.832 -6.592 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.408 -4.419 10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.416 -5.606 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.123 -3.723 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.530 -3.296 11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.771 -5.716 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.563 -4.155 13.224 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.121 -5.797 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.873 -5.816 14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.469 -4.289 15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.186 -3.338 14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.583 -3.546 13.773 1.00 0.00 H new ATOM 1152 N ILE A 72 -8.467 -5.452 7.679 1.00 0.00 N ATOM 1153 CA ILE A 72 -7.847 -4.677 6.693 1.00 0.00 C ATOM 1154 C ILE A 72 -8.892 -3.804 6.089 1.00 0.00 C ATOM 1155 O ILE A 72 -10.029 -4.235 5.885 1.00 0.00 O ATOM 1156 CB ILE A 72 -7.148 -5.541 5.616 1.00 0.00 C ATOM 1157 CG1 ILE A 72 -6.112 -6.446 6.273 1.00 0.00 C ATOM 1158 CG2 ILE A 72 -6.508 -4.684 4.529 1.00 0.00 C ATOM 1159 CD1 ILE A 72 -6.656 -7.779 6.733 1.00 0.00 C ATOM 0 H ILE A 72 -9.117 -6.155 7.326 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.057 -4.077 7.145 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.906 -6.157 5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.300 -6.622 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.683 -5.926 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.028 -5.329 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.275 -4.084 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.763 -4.026 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.855 -8.361 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.448 -7.616 7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.058 -8.322 5.878 1.00 0.00 H new ATOM 1171 N GLU A 73 -8.567 -2.587 5.888 1.00 0.00 N ATOM 1172 CA GLU A 73 -9.460 -1.706 5.251 1.00 0.00 C ATOM 1173 C GLU A 73 -8.758 -1.043 4.170 1.00 0.00 C ATOM 1174 O GLU A 73 -7.535 -1.010 4.127 1.00 0.00 O ATOM 1175 CB GLU A 73 -10.063 -0.654 6.149 1.00 0.00 C ATOM 1176 CG GLU A 73 -10.860 -1.191 7.298 1.00 0.00 C ATOM 1177 CD GLU A 73 -11.675 -0.149 7.997 1.00 0.00 C ATOM 1178 OE1 GLU A 73 -11.132 0.569 8.854 1.00 0.00 O ATOM 1179 OE2 GLU A 73 -12.897 -0.055 7.737 1.00 0.00 O ATOM 0 H GLU A 73 -7.675 -2.174 6.160 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.292 -2.317 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.261 -0.029 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.705 -0.009 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.523 -1.976 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.182 -1.653 8.016 1.00 0.00 H new ATOM 1186 N VAL A 74 -9.495 -0.526 3.319 1.00 0.00 N ATOM 1187 CA VAL A 74 -8.995 0.161 2.213 1.00 0.00 C ATOM 1188 C VAL A 74 -9.744 1.428 2.087 1.00 0.00 C ATOM 1189 O VAL A 74 -10.742 1.623 2.768 1.00 0.00 O ATOM 1190 CB VAL A 74 -9.120 -0.682 0.923 1.00 0.00 C ATOM 1191 CG1 VAL A 74 -8.249 -1.923 0.988 1.00 0.00 C ATOM 1192 CG2 VAL A 74 -10.565 -1.089 0.724 1.00 0.00 C ATOM 0 H VAL A 74 -10.514 -0.562 3.360 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.933 0.363 2.355 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.783 -0.073 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.360 -2.494 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.206 -1.630 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.555 -2.538 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.654 -1.683 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.897 -1.680 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.185 -0.197 0.636 1.00 0.00 H new ATOM 1202 N GLU A 75 -9.247 2.290 1.290 1.00 0.00 N ATOM 1203 CA GLU A 75 -9.881 3.524 1.032 1.00 0.00 C ATOM 1204 C GLU A 75 -9.573 3.895 -0.374 1.00 0.00 C ATOM 1205 O GLU A 75 -8.448 4.214 -0.700 1.00 0.00 O ATOM 1206 CB GLU A 75 -9.369 4.564 2.001 1.00 0.00 C ATOM 1207 CG GLU A 75 -10.144 5.841 2.008 1.00 0.00 C ATOM 1208 CD GLU A 75 -9.859 6.681 3.210 1.00 0.00 C ATOM 1209 OE1 GLU A 75 -8.700 6.766 3.653 1.00 0.00 O ATOM 1210 OE2 GLU A 75 -10.802 7.217 3.795 1.00 0.00 O ATOM 0 H GLU A 75 -8.370 2.157 0.787 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.961 3.455 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.380 4.142 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.330 4.786 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.908 6.409 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.210 5.615 1.972 1.00 0.00 H new ATOM 1217 N PHE A 76 -10.520 3.771 -1.224 1.00 0.00 N ATOM 1218 CA PHE A 76 -10.278 4.082 -2.590 1.00 0.00 C ATOM 1219 C PHE A 76 -10.142 5.563 -2.782 1.00 0.00 C ATOM 1220 O PHE A 76 -10.883 6.351 -2.171 1.00 0.00 O ATOM 1221 CB PHE A 76 -11.310 3.469 -3.486 1.00 0.00 C ATOM 1222 CG PHE A 76 -11.173 1.983 -3.625 1.00 0.00 C ATOM 1223 CD1 PHE A 76 -11.736 1.105 -2.707 1.00 0.00 C ATOM 1224 CD2 PHE A 76 -10.461 1.464 -4.679 1.00 0.00 C ATOM 1225 CE1 PHE A 76 -11.580 -0.250 -2.857 1.00 0.00 C ATOM 1226 CE2 PHE A 76 -10.302 0.114 -4.832 1.00 0.00 C ATOM 1227 CZ PHE A 76 -10.863 -0.747 -3.920 1.00 0.00 C ATOM 0 H PHE A 76 -11.466 3.459 -1.006 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.326 3.637 -2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.301 3.700 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.241 3.926 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.300 1.491 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.018 2.135 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.021 -0.927 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.737 -0.274 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.741 -1.814 -4.038 1.00 0.00 H new ATOM 1237 N ASP A 77 -9.195 5.928 -3.609 1.00 0.00 N ATOM 1238 CA ASP A 77 -8.842 7.320 -3.787 1.00 0.00 C ATOM 1239 C ASP A 77 -9.694 7.920 -4.886 1.00 0.00 C ATOM 1240 O ASP A 77 -10.613 7.270 -5.401 1.00 0.00 O ATOM 1241 CB ASP A 77 -7.374 7.465 -4.115 1.00 0.00 C ATOM 1242 CG ASP A 77 -6.775 8.873 -3.779 1.00 0.00 C ATOM 1243 OD1 ASP A 77 -6.975 9.812 -4.565 1.00 0.00 O ATOM 1244 OD2 ASP A 77 -6.104 9.049 -2.737 1.00 0.00 O ATOM 0 H ASP A 77 -8.649 5.278 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.029 7.854 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.815 6.705 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.229 7.265 -5.177 1.00 0.00 H new ATOM 1249 N LYS A 78 -9.372 9.101 -5.300 1.00 0.00 N ATOM 1250 CA LYS A 78 -10.190 9.806 -6.229 1.00 0.00 C ATOM 1251 C LYS A 78 -9.629 9.733 -7.621 1.00 0.00 C ATOM 1252 O LYS A 78 -10.179 10.316 -8.562 1.00 0.00 O ATOM 1253 CB LYS A 78 -10.406 11.256 -5.785 1.00 0.00 C ATOM 1254 CG LYS A 78 -9.128 12.095 -5.821 1.00 0.00 C ATOM 1255 CD LYS A 78 -9.333 13.506 -5.299 1.00 0.00 C ATOM 1256 CE LYS A 78 -9.510 13.543 -3.786 1.00 0.00 C ATOM 1257 NZ LYS A 78 -9.687 14.935 -3.306 1.00 0.00 N ATOM 0 H LYS A 78 -8.535 9.604 -5.004 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.165 9.319 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.154 11.718 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.809 11.263 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.359 11.602 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.759 12.142 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.478 14.122 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.210 13.944 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.375 12.944 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.641 13.096 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.806 14.934 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.850 15.498 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.530 15.351 -3.751 1.00 0.00 H new ATOM 1271 N GLY A 79 -8.575 9.016 -7.765 1.00 0.00 N ATOM 1272 CA GLY A 79 -7.970 8.897 -9.018 1.00 0.00 C ATOM 1273 C GLY A 79 -8.443 7.725 -9.783 1.00 0.00 C ATOM 1274 O GLY A 79 -8.976 7.838 -10.887 1.00 0.00 O ATOM 0 H GLY A 79 -8.117 8.501 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.163 9.801 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.890 8.826 -8.888 1.00 0.00 H new ATOM 1278 N GLN A 80 -8.263 6.592 -9.176 1.00 0.00 N ATOM 1279 CA GLN A 80 -8.456 5.361 -9.802 1.00 0.00 C ATOM 1280 C GLN A 80 -8.787 4.364 -8.759 1.00 0.00 C ATOM 1281 O GLN A 80 -8.595 4.625 -7.586 1.00 0.00 O ATOM 1282 CB GLN A 80 -7.146 4.975 -10.423 1.00 0.00 C ATOM 1283 CG GLN A 80 -7.280 4.281 -11.713 1.00 0.00 C ATOM 1284 CD GLN A 80 -7.917 5.216 -12.671 1.00 0.00 C ATOM 1285 OE1 GLN A 80 -9.138 5.218 -12.855 1.00 0.00 O ATOM 1286 NE2 GLN A 80 -7.126 6.099 -13.178 1.00 0.00 N ATOM 0 H GLN A 80 -7.969 6.518 -8.202 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.250 5.409 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.544 5.872 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.602 4.333 -9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.303 3.966 -12.080 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.884 3.380 -11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.124 6.051 -12.994 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.502 6.845 -13.763 1.00 0.00 H new ATOM 1295 N ARG A 81 -9.300 3.245 -9.166 1.00 0.00 N ATOM 1296 CA ARG A 81 -9.603 2.190 -8.225 1.00 0.00 C ATOM 1297 C ARG A 81 -8.779 0.956 -8.572 1.00 0.00 C ATOM 1298 O ARG A 81 -8.663 0.020 -7.808 1.00 0.00 O ATOM 1299 CB ARG A 81 -11.094 1.863 -8.283 1.00 0.00 C ATOM 1300 CG ARG A 81 -11.992 3.093 -8.256 1.00 0.00 C ATOM 1301 CD ARG A 81 -11.782 3.934 -7.015 1.00 0.00 C ATOM 1302 NE ARG A 81 -12.608 5.157 -7.057 1.00 0.00 N ATOM 1303 CZ ARG A 81 -13.364 5.633 -6.061 1.00 0.00 C ATOM 1304 NH1 ARG A 81 -13.667 4.868 -5.024 1.00 0.00 N ATOM 1305 NH2 ARG A 81 -13.894 6.842 -6.162 1.00 0.00 N ATOM 0 H ARG A 81 -9.520 3.030 -10.138 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.354 2.514 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.297 1.295 -9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.349 1.219 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.798 3.700 -9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.035 2.779 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.035 3.351 -6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.730 4.205 -6.929 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.602 5.689 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.324 3.909 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.244 5.238 -4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.725 7.405 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.471 7.211 -5.406 1.00 0.00 H new ATOM 1319 N THR A 82 -8.183 1.016 -9.712 1.00 0.00 N ATOM 1320 CA THR A 82 -7.446 -0.070 -10.302 1.00 0.00 C ATOM 1321 C THR A 82 -6.082 0.368 -10.983 1.00 0.00 C ATOM 1322 O THR A 82 -6.040 1.345 -11.741 1.00 0.00 O ATOM 1323 CB THR A 82 -8.335 -0.848 -11.298 1.00 0.00 C ATOM 1324 OG1 THR A 82 -8.925 0.062 -12.237 1.00 0.00 O ATOM 1325 CG2 THR A 82 -9.443 -1.626 -10.587 1.00 0.00 C ATOM 0 H THR A 82 -8.191 1.856 -10.291 1.00 0.00 H new ATOM 0 HA THR A 82 -7.163 -0.725 -9.478 1.00 0.00 H new ATOM 0 HB THR A 82 -7.697 -1.564 -11.816 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.486 -0.436 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.044 -2.158 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.999 -2.342 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.077 -0.933 -10.034 1.00 0.00 H new ATOM 1333 N ASP A 83 -4.967 -0.352 -10.669 1.00 0.00 N ATOM 1334 CA ASP A 83 -3.612 -0.046 -11.246 1.00 0.00 C ATOM 1335 C ASP A 83 -2.893 -1.333 -11.751 1.00 0.00 C ATOM 1336 O ASP A 83 -3.385 -2.414 -11.563 1.00 0.00 O ATOM 1337 CB ASP A 83 -2.779 0.676 -10.181 1.00 0.00 C ATOM 1338 CG ASP A 83 -1.362 1.100 -10.561 1.00 0.00 C ATOM 1339 OD1 ASP A 83 -0.432 0.306 -10.336 1.00 0.00 O ATOM 1340 OD2 ASP A 83 -1.161 2.213 -11.039 1.00 0.00 O ATOM 0 H ASP A 83 -4.973 -1.143 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.732 0.598 -12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.326 1.568 -9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.713 0.026 -9.308 1.00 0.00 H new ATOM 1345 N LYS A 84 -1.716 -1.181 -12.349 1.00 0.00 N ATOM 1346 CA LYS A 84 -0.897 -2.242 -12.973 1.00 0.00 C ATOM 1347 C LYS A 84 -1.646 -3.012 -14.040 1.00 0.00 C ATOM 1348 O LYS A 84 -1.508 -2.753 -15.227 1.00 0.00 O ATOM 1349 CB LYS A 84 -0.301 -3.230 -11.951 1.00 0.00 C ATOM 1350 CG LYS A 84 0.571 -2.610 -10.900 1.00 0.00 C ATOM 1351 CD LYS A 84 1.260 -3.665 -10.059 1.00 0.00 C ATOM 1352 CE LYS A 84 2.121 -3.016 -9.006 1.00 0.00 C ATOM 1353 NZ LYS A 84 2.871 -3.994 -8.207 1.00 0.00 N ATOM 0 H LYS A 84 -1.273 -0.265 -12.421 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.074 -1.705 -13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.119 -3.756 -11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.281 -3.978 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.319 -1.975 -11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.032 -1.967 -10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.516 -4.305 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.872 -4.304 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.821 -2.331 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.492 -2.419 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.420 -3.498 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.207 -4.653 -7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.518 -4.525 -8.825 1.00 0.00 H new ATOM 1367 N TYR A 85 -2.459 -3.926 -13.592 1.00 0.00 N ATOM 1368 CA TYR A 85 -3.204 -4.821 -14.460 1.00 0.00 C ATOM 1369 C TYR A 85 -4.664 -4.702 -14.103 1.00 0.00 C ATOM 1370 O TYR A 85 -5.495 -5.525 -14.487 1.00 0.00 O ATOM 1371 CB TYR A 85 -2.730 -6.278 -14.264 1.00 0.00 C ATOM 1372 CG TYR A 85 -1.231 -6.474 -14.413 1.00 0.00 C ATOM 1373 CD1 TYR A 85 -0.644 -6.666 -15.657 1.00 0.00 C ATOM 1374 CD2 TYR A 85 -0.406 -6.453 -13.299 1.00 0.00 C ATOM 1375 CE1 TYR A 85 0.729 -6.830 -15.778 1.00 0.00 C ATOM 1376 CE2 TYR A 85 0.956 -6.610 -13.411 1.00 0.00 C ATOM 1377 CZ TYR A 85 1.520 -6.797 -14.647 1.00 0.00 C ATOM 1378 OH TYR A 85 2.887 -6.949 -14.751 1.00 0.00 O ATOM 0 H TYR A 85 -2.632 -4.080 -12.599 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.043 -4.552 -15.504 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.032 -6.615 -13.272 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.241 -6.914 -14.987 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.264 -6.688 -16.541 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.842 -6.310 -12.321 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.175 -6.982 -16.750 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.579 -6.586 -12.529 1.00 0.00 H new ATOM 0 HH TYR A 85 3.290 -6.899 -13.859 1.00 0.00 H new ATOM 1388 N GLY A 86 -4.955 -3.664 -13.368 1.00 0.00 N ATOM 1389 CA GLY A 86 -6.274 -3.418 -12.899 1.00 0.00 C ATOM 1390 C GLY A 86 -6.442 -3.970 -11.506 1.00 0.00 C ATOM 1391 O GLY A 86 -7.488 -4.487 -11.128 1.00 0.00 O ATOM 0 H GLY A 86 -4.271 -2.964 -13.080 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.474 -2.347 -12.900 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.999 -3.879 -13.571 1.00 0.00 H new ATOM 1395 N ARG A 87 -5.356 -3.892 -10.774 1.00 0.00 N ATOM 1396 CA ARG A 87 -5.260 -4.245 -9.370 1.00 0.00 C ATOM 1397 C ARG A 87 -5.990 -3.166 -8.606 1.00 0.00 C ATOM 1398 O ARG A 87 -6.218 -2.169 -9.148 1.00 0.00 O ATOM 1399 CB ARG A 87 -3.781 -4.250 -8.963 1.00 0.00 C ATOM 1400 CG ARG A 87 -2.912 -5.145 -9.826 1.00 0.00 C ATOM 1401 CD ARG A 87 -3.427 -6.568 -9.794 1.00 0.00 C ATOM 1402 NE ARG A 87 -2.612 -7.506 -10.547 1.00 0.00 N ATOM 1403 CZ ARG A 87 -3.078 -8.646 -11.103 1.00 0.00 C ATOM 1404 NH1 ARG A 87 -4.396 -8.865 -11.211 1.00 0.00 N ATOM 1405 NH2 ARG A 87 -2.232 -9.536 -11.578 1.00 0.00 N ATOM 0 H ARG A 87 -4.469 -3.565 -11.157 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.687 -5.227 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.397 -3.231 -9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.700 -4.573 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.905 -4.777 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.882 -5.116 -9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.483 -6.901 -8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.443 -6.585 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.622 -7.290 -10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.058 -8.167 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.737 -9.729 -11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.228 -9.364 -11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.581 -10.398 -11.998 1.00 0.00 H new ATOM 1419 N GLY A 88 -6.240 -3.308 -7.359 1.00 0.00 N ATOM 1420 CA GLY A 88 -7.086 -2.352 -6.733 1.00 0.00 C ATOM 1421 C GLY A 88 -6.336 -1.379 -5.978 1.00 0.00 C ATOM 1422 O GLY A 88 -5.852 -1.613 -4.885 1.00 0.00 O ATOM 0 H GLY A 88 -5.885 -4.054 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.681 -1.842 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.784 -2.864 -6.071 1.00 0.00 H new ATOM 1426 N LEU A 89 -6.262 -0.318 -6.581 1.00 0.00 N ATOM 1427 CA LEU A 89 -5.507 0.767 -6.263 1.00 0.00 C ATOM 1428 C LEU A 89 -6.283 1.592 -5.258 1.00 0.00 C ATOM 1429 O LEU A 89 -7.336 2.142 -5.578 1.00 0.00 O ATOM 1430 CB LEU A 89 -5.325 1.398 -7.634 1.00 0.00 C ATOM 1431 CG LEU A 89 -4.534 2.653 -7.828 1.00 0.00 C ATOM 1432 CD1 LEU A 89 -5.257 3.866 -7.300 1.00 0.00 C ATOM 1433 CD2 LEU A 89 -3.181 2.445 -7.205 1.00 0.00 C ATOM 0 H LEU A 89 -6.804 -0.161 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.542 0.602 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.873 0.639 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.323 1.591 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.405 2.858 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.645 4.753 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.207 3.979 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.442 3.743 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.580 3.346 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.298 2.233 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.682 1.605 -7.690 1.00 0.00 H new ATOM 1445 N ALA A 90 -5.780 1.630 -4.042 1.00 0.00 N ATOM 1446 CA ALA A 90 -6.452 2.281 -2.961 1.00 0.00 C ATOM 1447 C ALA A 90 -5.511 2.464 -1.801 1.00 0.00 C ATOM 1448 O ALA A 90 -4.373 1.948 -1.798 1.00 0.00 O ATOM 1449 CB ALA A 90 -7.652 1.448 -2.505 1.00 0.00 C ATOM 0 H ALA A 90 -4.889 1.205 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.797 3.255 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.155 1.955 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.348 1.327 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.309 0.468 -2.173 1.00 0.00 H new ATOM 1455 N TYR A 91 -5.973 3.199 -0.847 1.00 0.00 N ATOM 1456 CA TYR A 91 -5.311 3.430 0.384 1.00 0.00 C ATOM 1457 C TYR A 91 -5.531 2.157 1.176 1.00 0.00 C ATOM 1458 O TYR A 91 -6.624 1.609 1.110 1.00 0.00 O ATOM 1459 CB TYR A 91 -6.083 4.523 1.061 1.00 0.00 C ATOM 1460 CG TYR A 91 -5.343 5.420 1.937 1.00 0.00 C ATOM 1461 CD1 TYR A 91 -4.199 5.022 2.528 1.00 0.00 C ATOM 1462 CD2 TYR A 91 -5.812 6.701 2.171 1.00 0.00 C ATOM 1463 CE1 TYR A 91 -3.527 5.842 3.331 1.00 0.00 C ATOM 1464 CE2 TYR A 91 -5.138 7.553 2.986 1.00 0.00 C ATOM 1465 CZ TYR A 91 -3.990 7.126 3.572 1.00 0.00 C ATOM 1466 OH TYR A 91 -3.292 7.968 4.399 1.00 0.00 O ATOM 0 H TYR A 91 -6.871 3.679 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.256 3.687 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.562 5.125 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.879 4.061 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.824 4.026 2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.727 7.028 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.614 5.505 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.508 8.552 3.165 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.756 8.829 4.456 1.00 0.00 H new ATOM 1476 N ILE A 92 -4.558 1.671 1.896 1.00 0.00 N ATOM 1477 CA ILE A 92 -4.764 0.447 2.591 1.00 0.00 C ATOM 1478 C ILE A 92 -4.299 0.467 4.053 1.00 0.00 C ATOM 1479 O ILE A 92 -3.143 0.839 4.395 1.00 0.00 O ATOM 1480 CB ILE A 92 -4.227 -0.759 1.792 1.00 0.00 C ATOM 1481 CG1 ILE A 92 -4.209 -2.017 2.637 1.00 0.00 C ATOM 1482 CG2 ILE A 92 -2.893 -0.460 1.183 1.00 0.00 C ATOM 1483 CD1 ILE A 92 -3.814 -3.274 1.894 1.00 0.00 C ATOM 0 H ILE A 92 -3.638 2.097 2.011 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.844 0.322 2.664 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.913 -0.946 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.518 -1.870 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.199 -2.163 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.543 -1.330 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.984 0.390 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.179 -0.222 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.829 -4.122 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.517 -3.452 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.810 -3.155 1.486 1.00 0.00 H new ATOM 1495 N TYR A 93 -5.220 0.070 4.886 1.00 0.00 N ATOM 1496 CA TYR A 93 -5.082 0.011 6.299 1.00 0.00 C ATOM 1497 C TYR A 93 -5.079 -1.432 6.739 1.00 0.00 C ATOM 1498 O TYR A 93 -5.890 -2.218 6.306 1.00 0.00 O ATOM 1499 CB TYR A 93 -6.235 0.769 6.959 1.00 0.00 C ATOM 1500 CG TYR A 93 -6.175 2.253 6.718 1.00 0.00 C ATOM 1501 CD1 TYR A 93 -5.466 3.073 7.577 1.00 0.00 C ATOM 1502 CD2 TYR A 93 -6.813 2.834 5.627 1.00 0.00 C ATOM 1503 CE1 TYR A 93 -5.390 4.428 7.369 1.00 0.00 C ATOM 1504 CE2 TYR A 93 -6.740 4.193 5.409 1.00 0.00 C ATOM 1505 CZ TYR A 93 -6.024 4.985 6.288 1.00 0.00 C ATOM 1506 OH TYR A 93 -5.952 6.339 6.088 1.00 0.00 O ATOM 0 H TYR A 93 -6.139 -0.238 4.569 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.143 0.475 6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.181 0.383 6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.220 0.580 8.032 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.962 2.639 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.372 2.213 4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.834 5.052 8.053 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.238 4.636 4.559 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.423 6.523 5.284 1.00 0.00 H new ATOM 1516 N ALA A 94 -4.219 -1.742 7.635 1.00 0.00 N ATOM 1517 CA ALA A 94 -4.007 -3.082 8.097 1.00 0.00 C ATOM 1518 C ALA A 94 -4.026 -2.974 9.547 1.00 0.00 C ATOM 1519 O ALA A 94 -3.146 -2.333 10.129 1.00 0.00 O ATOM 1520 CB ALA A 94 -2.662 -3.630 7.633 1.00 0.00 C ATOM 0 H ALA A 94 -3.618 -1.055 8.089 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.764 -3.764 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.537 -4.648 8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.626 -3.633 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.860 -3.002 8.021 1.00 0.00 H new ATOM 1526 N ASP A 95 -5.126 -3.415 10.129 1.00 0.00 N ATOM 1527 CA ASP A 95 -5.368 -3.332 11.547 1.00 0.00 C ATOM 1528 C ASP A 95 -5.467 -1.847 11.916 1.00 0.00 C ATOM 1529 O ASP A 95 -5.341 -1.431 13.059 1.00 0.00 O ATOM 1530 CB ASP A 95 -4.294 -4.107 12.349 1.00 0.00 C ATOM 1531 CG ASP A 95 -4.620 -4.315 13.815 1.00 0.00 C ATOM 1532 OD1 ASP A 95 -5.314 -5.313 14.151 1.00 0.00 O ATOM 1533 OD2 ASP A 95 -4.130 -3.543 14.661 1.00 0.00 O ATOM 0 H ASP A 95 -5.890 -3.850 9.612 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.308 -3.816 11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -4.146 -5.081 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.348 -3.571 12.274 1.00 0.00 H new ATOM 1538 N GLY A 96 -5.711 -1.070 10.877 1.00 0.00 N ATOM 1539 CA GLY A 96 -5.862 0.325 10.974 1.00 0.00 C ATOM 1540 C GLY A 96 -4.602 1.106 10.679 1.00 0.00 C ATOM 1541 O GLY A 96 -4.602 2.333 10.705 1.00 0.00 O ATOM 0 H GLY A 96 -5.808 -1.426 9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.644 0.644 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.203 0.573 11.979 1.00 0.00 H new ATOM 1545 N LYS A 97 -3.538 0.417 10.410 1.00 0.00 N ATOM 1546 CA LYS A 97 -2.270 1.058 10.140 1.00 0.00 C ATOM 1547 C LYS A 97 -2.108 1.175 8.636 1.00 0.00 C ATOM 1548 O LYS A 97 -2.530 0.288 7.924 1.00 0.00 O ATOM 1549 CB LYS A 97 -1.200 0.181 10.741 1.00 0.00 C ATOM 1550 CG LYS A 97 -1.396 -0.028 12.242 1.00 0.00 C ATOM 1551 CD LYS A 97 -1.094 -1.451 12.646 1.00 0.00 C ATOM 1552 CE LYS A 97 -1.184 -1.644 14.160 1.00 0.00 C ATOM 1553 NZ LYS A 97 -2.548 -1.413 14.695 1.00 0.00 N ATOM 0 H LYS A 97 -3.513 -0.602 10.369 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.206 2.058 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.202 -0.786 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.223 0.631 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.748 0.653 12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.422 0.219 12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.793 -2.125 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.095 -1.721 12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.868 -2.657 14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.488 -0.963 14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.539 -1.525 15.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.857 -0.450 14.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.206 -2.102 14.278 1.00 0.00 H new ATOM 1567 N MET A 98 -1.518 2.239 8.146 1.00 0.00 N ATOM 1568 CA MET A 98 -1.415 2.422 6.740 1.00 0.00 C ATOM 1569 C MET A 98 -0.223 1.677 6.170 1.00 0.00 C ATOM 1570 O MET A 98 0.969 2.025 6.405 1.00 0.00 O ATOM 1571 CB MET A 98 -1.459 3.910 6.330 1.00 0.00 C ATOM 1572 CG MET A 98 -0.694 4.183 5.063 1.00 0.00 C ATOM 1573 SD MET A 98 -0.735 5.875 4.458 1.00 0.00 S ATOM 1574 CE MET A 98 -0.673 6.835 5.966 1.00 0.00 C ATOM 0 H MET A 98 -1.106 2.983 8.709 1.00 0.00 H new ATOM 0 HA MET A 98 -2.302 1.977 6.290 1.00 0.00 H new ATOM 0 HB2 MET A 98 -2.497 4.216 6.197 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.048 4.518 7.136 1.00 0.00 H new ATOM 0 HG2 MET A 98 0.347 3.902 5.224 1.00 0.00 H new ATOM 0 HG3 MET A 98 -1.083 3.530 4.281 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.042 7.842 5.772 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.295 6.361 6.725 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.356 6.888 6.322 1.00 0.00 H new ATOM 1584 N VAL A 99 -0.561 0.673 5.402 1.00 0.00 N ATOM 1585 CA VAL A 99 0.385 -0.222 4.769 1.00 0.00 C ATOM 1586 C VAL A 99 1.318 0.548 3.857 1.00 0.00 C ATOM 1587 O VAL A 99 2.528 0.355 3.877 1.00 0.00 O ATOM 1588 CB VAL A 99 -0.395 -1.271 3.940 1.00 0.00 C ATOM 1589 CG1 VAL A 99 0.513 -2.070 3.058 1.00 0.00 C ATOM 1590 CG2 VAL A 99 -1.187 -2.191 4.837 1.00 0.00 C ATOM 0 H VAL A 99 -1.533 0.445 5.191 1.00 0.00 H new ATOM 0 HA VAL A 99 0.980 -0.715 5.538 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.087 -0.721 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.073 -2.795 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.029 -1.403 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.246 -2.595 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.725 -2.918 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.509 -2.714 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.900 -1.607 5.419 1.00 0.00 H new ATOM 1600 N ASN A 100 0.739 1.469 3.129 1.00 0.00 N ATOM 1601 CA ASN A 100 1.446 2.217 2.104 1.00 0.00 C ATOM 1602 C ASN A 100 2.641 2.956 2.757 1.00 0.00 C ATOM 1603 O ASN A 100 3.868 2.766 2.388 1.00 0.00 O ATOM 1604 CB ASN A 100 0.497 3.249 1.391 1.00 0.00 C ATOM 1605 CG ASN A 100 -0.966 2.831 1.212 1.00 0.00 C ATOM 1606 OD1 ASN A 100 -1.580 2.194 2.058 1.00 0.00 O ATOM 1607 ND2 ASN A 100 -1.513 3.213 0.124 1.00 0.00 N ATOM 0 H ASN A 100 -0.243 1.727 3.227 1.00 0.00 H new ATOM 0 HA ASN A 100 1.805 1.521 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.518 4.179 1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.911 3.468 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.491 2.989 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.973 3.742 -0.560 1.00 0.00 H new ATOM 1614 N GLU A 101 2.280 3.706 3.797 1.00 0.00 N ATOM 1615 CA GLU A 101 3.200 4.463 4.606 1.00 0.00 C ATOM 1616 C GLU A 101 4.178 3.540 5.171 1.00 0.00 C ATOM 1617 O GLU A 101 5.317 3.700 4.958 1.00 0.00 O ATOM 1618 CB GLU A 101 2.519 5.101 5.794 1.00 0.00 C ATOM 1619 CG GLU A 101 3.391 6.113 6.546 1.00 0.00 C ATOM 1620 CD GLU A 101 2.791 6.574 7.849 1.00 0.00 C ATOM 1621 OE1 GLU A 101 1.603 6.336 8.097 1.00 0.00 O ATOM 1622 OE2 GLU A 101 3.521 7.161 8.664 1.00 0.00 O ATOM 0 H GLU A 101 1.310 3.798 4.098 1.00 0.00 H new ATOM 0 HA GLU A 101 3.637 5.231 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.612 5.601 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.211 4.318 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.365 5.666 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.561 6.979 5.907 1.00 0.00 H new ATOM 1629 N ALA A 102 3.692 2.536 5.876 1.00 0.00 N ATOM 1630 CA ALA A 102 4.549 1.619 6.567 1.00 0.00 C ATOM 1631 C ALA A 102 5.585 0.971 5.643 1.00 0.00 C ATOM 1632 O ALA A 102 6.761 0.852 6.012 1.00 0.00 O ATOM 1633 CB ALA A 102 3.724 0.623 7.310 1.00 0.00 C ATOM 0 H ALA A 102 2.696 2.342 5.980 1.00 0.00 H new ATOM 0 HA ALA A 102 5.138 2.178 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.379 -0.073 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.092 1.140 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.098 0.073 6.608 1.00 0.00 H new ATOM 1639 N LEU A 103 5.193 0.673 4.407 1.00 0.00 N ATOM 1640 CA LEU A 103 6.122 0.092 3.464 1.00 0.00 C ATOM 1641 C LEU A 103 7.155 1.108 3.071 1.00 0.00 C ATOM 1642 O LEU A 103 8.370 0.830 3.103 1.00 0.00 O ATOM 1643 CB LEU A 103 5.426 -0.486 2.221 1.00 0.00 C ATOM 1644 CG LEU A 103 5.052 -1.974 2.274 1.00 0.00 C ATOM 1645 CD1 LEU A 103 6.300 -2.830 2.384 1.00 0.00 C ATOM 1646 CD2 LEU A 103 4.117 -2.271 3.428 1.00 0.00 C ATOM 0 H LEU A 103 4.251 0.824 4.046 1.00 0.00 H new ATOM 0 HA LEU A 103 6.608 -0.747 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.517 0.088 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.077 -0.329 1.361 1.00 0.00 H new ATOM 0 HG LEU A 103 4.532 -2.216 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.018 -3.882 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.938 -2.656 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.842 -2.568 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.873 -3.333 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.602 -2.004 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.202 -1.690 3.314 1.00 0.00 H new ATOM 1658 N VAL A 104 6.704 2.315 2.758 1.00 0.00 N ATOM 1659 CA VAL A 104 7.663 3.353 2.383 1.00 0.00 C ATOM 1660 C VAL A 104 8.422 3.904 3.628 1.00 0.00 C ATOM 1661 O VAL A 104 9.494 4.482 3.525 1.00 0.00 O ATOM 1662 CB VAL A 104 6.979 4.486 1.565 1.00 0.00 C ATOM 1663 CG1 VAL A 104 6.020 5.277 2.376 1.00 0.00 C ATOM 1664 CG2 VAL A 104 7.961 5.371 0.831 1.00 0.00 C ATOM 0 H VAL A 104 5.723 2.596 2.754 1.00 0.00 H new ATOM 0 HA VAL A 104 8.410 2.897 1.733 1.00 0.00 H new ATOM 0 HB VAL A 104 6.399 3.975 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.572 6.053 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.238 4.621 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.545 5.739 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.418 6.139 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.631 5.844 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.543 4.769 0.133 1.00 0.00 H new ATOM 1674 N ARG A 105 7.878 3.626 4.795 1.00 0.00 N ATOM 1675 CA ARG A 105 8.401 4.098 6.067 1.00 0.00 C ATOM 1676 C ARG A 105 9.386 3.112 6.579 1.00 0.00 C ATOM 1677 O ARG A 105 10.157 3.407 7.461 1.00 0.00 O ATOM 1678 CB ARG A 105 7.271 4.206 7.087 1.00 0.00 C ATOM 1679 CG ARG A 105 7.594 4.986 8.341 1.00 0.00 C ATOM 1680 CD ARG A 105 7.959 6.416 8.007 1.00 0.00 C ATOM 1681 NE ARG A 105 8.046 7.232 9.206 1.00 0.00 N ATOM 1682 CZ ARG A 105 7.500 8.442 9.387 1.00 0.00 C ATOM 1683 NH1 ARG A 105 6.715 8.991 8.448 1.00 0.00 N ATOM 1684 NH2 ARG A 105 7.711 9.077 10.529 1.00 0.00 N ATOM 0 H ARG A 105 7.040 3.052 4.891 1.00 0.00 H new ATOM 0 HA ARG A 105 8.865 5.073 5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.412 4.671 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.968 3.199 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.736 4.973 9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.420 4.509 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.913 6.437 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.213 6.836 7.332 1.00 0.00 H new ATOM 0 HE ARG A 105 8.575 6.845 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.527 8.486 7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.306 9.913 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.282 8.644 11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.303 9.999 10.683 1.00 0.00 H new ATOM 1698 N GLN A 106 9.266 1.906 6.102 1.00 0.00 N ATOM 1699 CA GLN A 106 10.182 0.879 6.423 1.00 0.00 C ATOM 1700 C GLN A 106 11.410 0.933 5.542 1.00 0.00 C ATOM 1701 O GLN A 106 12.430 0.361 5.872 1.00 0.00 O ATOM 1702 CB GLN A 106 9.552 -0.481 6.240 1.00 0.00 C ATOM 1703 CG GLN A 106 9.527 -1.327 7.494 1.00 0.00 C ATOM 1704 CD GLN A 106 10.912 -1.609 8.061 1.00 0.00 C ATOM 1705 OE1 GLN A 106 11.559 -2.598 7.701 1.00 0.00 O ATOM 1706 NE2 GLN A 106 11.371 -0.761 8.942 1.00 0.00 N ATOM 0 H GLN A 106 8.517 1.617 5.473 1.00 0.00 H new ATOM 0 HA GLN A 106 10.465 1.034 7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.530 -0.351 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.095 -1.019 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.928 -0.822 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.033 -2.273 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.809 0.045 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.292 -0.905 9.357 1.00 0.00 H new ATOM 1715 N GLY A 107 11.325 1.605 4.429 1.00 0.00 N ATOM 1716 CA GLY A 107 12.430 1.543 3.519 1.00 0.00 C ATOM 1717 C GLY A 107 12.267 0.365 2.609 1.00 0.00 C ATOM 1718 O GLY A 107 13.237 -0.203 2.145 1.00 0.00 O ATOM 0 H GLY A 107 10.535 2.181 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.485 2.462 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.365 1.461 4.072 1.00 0.00 H new ATOM 1722 N LEU A 108 11.043 -0.056 2.420 1.00 0.00 N ATOM 1723 CA LEU A 108 10.758 -1.129 1.500 1.00 0.00 C ATOM 1724 C LEU A 108 10.027 -0.614 0.298 1.00 0.00 C ATOM 1725 O LEU A 108 9.668 -1.368 -0.591 1.00 0.00 O ATOM 1726 CB LEU A 108 9.971 -2.281 2.135 1.00 0.00 C ATOM 1727 CG LEU A 108 10.749 -3.342 2.914 1.00 0.00 C ATOM 1728 CD1 LEU A 108 12.149 -3.559 2.415 1.00 0.00 C ATOM 1729 CD2 LEU A 108 10.669 -3.214 4.388 1.00 0.00 C ATOM 0 H LEU A 108 10.225 0.329 2.892 1.00 0.00 H new ATOM 0 HA LEU A 108 11.724 -1.534 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.232 -1.848 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.421 -2.787 1.341 1.00 0.00 H new ATOM 0 HG LEU A 108 10.213 -4.265 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.635 -4.326 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.118 -3.881 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.710 -2.628 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.251 -4.009 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.068 -2.246 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.629 -3.292 4.704 1.00 0.00 H new ATOM 1741 N ALA A 109 9.831 0.664 0.264 1.00 0.00 N ATOM 1742 CA ALA A 109 9.144 1.290 -0.805 1.00 0.00 C ATOM 1743 C ALA A 109 9.633 2.678 -0.967 1.00 0.00 C ATOM 1744 O ALA A 109 10.291 3.232 -0.082 1.00 0.00 O ATOM 1745 CB ALA A 109 7.653 1.308 -0.549 1.00 0.00 C ATOM 0 H ALA A 109 10.150 1.306 0.990 1.00 0.00 H new ATOM 0 HA ALA A 109 9.334 0.722 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.146 1.794 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.289 0.286 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.448 1.858 0.370 1.00 0.00 H new ATOM 1751 N LYS A 110 9.330 3.208 -2.083 1.00 0.00 N ATOM 1752 CA LYS A 110 9.619 4.549 -2.431 1.00 0.00 C ATOM 1753 C LYS A 110 8.291 5.178 -2.707 1.00 0.00 C ATOM 1754 O LYS A 110 7.286 4.441 -2.924 1.00 0.00 O ATOM 1755 CB LYS A 110 10.444 4.609 -3.715 1.00 0.00 C ATOM 1756 CG LYS A 110 11.770 3.850 -3.688 1.00 0.00 C ATOM 1757 CD LYS A 110 12.495 3.939 -5.031 1.00 0.00 C ATOM 1758 CE LYS A 110 11.706 3.257 -6.144 1.00 0.00 C ATOM 1759 NZ LYS A 110 12.310 3.465 -7.473 1.00 0.00 N ATOM 0 H LYS A 110 8.848 2.696 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 110 10.180 5.045 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.839 4.217 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.650 5.655 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.407 4.256 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.587 2.804 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.657 4.986 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.478 3.476 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.645 2.188 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.685 3.639 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.737 2.982 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.345 4.483 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.275 3.077 -7.480 1.00 0.00 H new ATOM 1773 N VAL A 111 8.244 6.475 -2.715 1.00 0.00 N ATOM 1774 CA VAL A 111 7.023 7.144 -3.027 1.00 0.00 C ATOM 1775 C VAL A 111 6.826 7.153 -4.530 1.00 0.00 C ATOM 1776 O VAL A 111 7.721 7.547 -5.308 1.00 0.00 O ATOM 1777 CB VAL A 111 6.913 8.579 -2.410 1.00 0.00 C ATOM 1778 CG1 VAL A 111 8.087 9.457 -2.789 1.00 0.00 C ATOM 1779 CG2 VAL A 111 5.596 9.249 -2.803 1.00 0.00 C ATOM 0 H VAL A 111 9.034 7.087 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 111 6.213 6.584 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 111 6.932 8.457 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.966 10.442 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.011 9.004 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.131 9.558 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.548 10.244 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.540 9.332 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.761 8.650 -2.441 1.00 0.00 H new ATOM 1789 N ALA A 112 5.718 6.632 -4.931 1.00 0.00 N ATOM 1790 CA ALA A 112 5.355 6.560 -6.312 1.00 0.00 C ATOM 1791 C ALA A 112 4.327 7.633 -6.640 1.00 0.00 C ATOM 1792 O ALA A 112 4.177 8.620 -5.918 1.00 0.00 O ATOM 1793 CB ALA A 112 4.806 5.169 -6.632 1.00 0.00 C ATOM 0 H ALA A 112 5.023 6.235 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 112 6.239 6.735 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.531 5.120 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.569 4.419 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.927 4.975 -6.018 1.00 0.00 H new ATOM 1799 N TYR A 113 3.627 7.413 -7.705 1.00 0.00 N ATOM 1800 CA TYR A 113 2.617 8.280 -8.231 1.00 0.00 C ATOM 1801 C TYR A 113 1.924 7.475 -9.264 1.00 0.00 C ATOM 1802 O TYR A 113 2.523 7.062 -10.257 1.00 0.00 O ATOM 1803 CB TYR A 113 3.198 9.566 -8.830 1.00 0.00 C ATOM 1804 CG TYR A 113 2.155 10.527 -9.394 1.00 0.00 C ATOM 1805 CD1 TYR A 113 1.060 10.950 -8.632 1.00 0.00 C ATOM 1806 CD2 TYR A 113 2.276 11.021 -10.682 1.00 0.00 C ATOM 1807 CE1 TYR A 113 0.134 11.831 -9.150 1.00 0.00 C ATOM 1808 CE2 TYR A 113 1.361 11.907 -11.195 1.00 0.00 C ATOM 1809 CZ TYR A 113 0.296 12.309 -10.429 1.00 0.00 C ATOM 1810 OH TYR A 113 -0.605 13.198 -10.941 1.00 0.00 O ATOM 0 H TYR A 113 3.751 6.571 -8.268 1.00 0.00 H new ATOM 0 HA TYR A 113 1.943 8.619 -7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 113 3.772 10.083 -8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.896 9.300 -9.624 1.00 0.00 H new ATOM 0 HD1 TYR A 113 0.938 10.581 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.106 10.703 -11.295 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.712 12.143 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.479 12.287 -12.199 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.345 13.437 -11.855 1.00 0.00 H new ATOM 1820 N VAL A 114 0.715 7.186 -9.000 1.00 0.00 N ATOM 1821 CA VAL A 114 -0.028 6.291 -9.805 1.00 0.00 C ATOM 1822 C VAL A 114 -0.781 6.965 -10.921 1.00 0.00 C ATOM 1823 O VAL A 114 -0.532 6.701 -12.087 1.00 0.00 O ATOM 1824 CB VAL A 114 -0.955 5.428 -8.945 1.00 0.00 C ATOM 1825 CG1 VAL A 114 -0.122 4.382 -8.203 1.00 0.00 C ATOM 1826 CG2 VAL A 114 -1.740 6.285 -7.927 1.00 0.00 C ATOM 0 H VAL A 114 0.199 7.567 -8.207 1.00 0.00 H new ATOM 0 HA VAL A 114 0.700 5.643 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.677 4.940 -9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.777 3.764 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.399 3.753 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.607 4.883 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.388 5.641 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.040 6.801 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.346 7.018 -8.459 1.00 0.00 H new ATOM 1836 N TYR A 115 -1.659 7.845 -10.573 1.00 0.00 N ATOM 1837 CA TYR A 115 -2.500 8.481 -11.516 1.00 0.00 C ATOM 1838 C TYR A 115 -2.788 9.855 -11.006 1.00 0.00 C ATOM 1839 O TYR A 115 -2.784 10.049 -9.778 1.00 0.00 O ATOM 1840 CB TYR A 115 -3.841 7.745 -11.659 1.00 0.00 C ATOM 1841 CG TYR A 115 -3.794 6.306 -12.102 1.00 0.00 C ATOM 1842 CD1 TYR A 115 -3.779 5.991 -13.448 1.00 0.00 C ATOM 1843 CD2 TYR A 115 -3.815 5.261 -11.177 1.00 0.00 C ATOM 1844 CE1 TYR A 115 -3.782 4.687 -13.879 1.00 0.00 C ATOM 1845 CE2 TYR A 115 -3.830 3.946 -11.609 1.00 0.00 C ATOM 1846 CZ TYR A 115 -3.812 3.665 -12.964 1.00 0.00 C ATOM 1847 OH TYR A 115 -3.870 2.354 -13.403 1.00 0.00 O ATOM 0 H TYR A 115 -1.811 8.143 -9.609 1.00 0.00 H new ATOM 0 HA TYR A 115 -2.001 8.490 -12.485 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.353 7.786 -10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.455 8.297 -12.370 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.765 6.788 -14.177 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.820 5.479 -10.119 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.761 4.466 -14.936 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.856 3.141 -10.890 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.671 1.922 -13.039 1.00 0.00 H new ATOM 1857 N LYS A 116 -2.999 10.798 -11.903 1.00 0.00 N ATOM 1858 CA LYS A 116 -3.414 12.151 -11.542 1.00 0.00 C ATOM 1859 C LYS A 116 -4.740 12.094 -10.809 1.00 0.00 C ATOM 1860 O LYS A 116 -5.812 11.944 -11.420 1.00 0.00 O ATOM 1861 CB LYS A 116 -3.528 13.052 -12.784 1.00 0.00 C ATOM 1862 CG LYS A 116 -3.966 14.531 -12.556 1.00 0.00 C ATOM 1863 CD LYS A 116 -2.933 15.419 -11.819 1.00 0.00 C ATOM 1864 CE LYS A 116 -2.909 15.217 -10.300 1.00 0.00 C ATOM 1865 NZ LYS A 116 -1.929 16.105 -9.645 1.00 0.00 N ATOM 0 H LYS A 116 -2.889 10.653 -12.907 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.655 12.583 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.560 13.060 -13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.238 12.592 -13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.184 14.982 -13.524 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.896 14.534 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.940 15.212 -12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.151 16.465 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.902 15.408 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.666 14.179 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.942 15.939 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.978 15.906 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.175 17.097 -9.839 1.00 0.00 H new ATOM 1879 N GLY A 117 -4.652 12.153 -9.522 1.00 0.00 N ATOM 1880 CA GLY A 117 -5.791 12.052 -8.699 1.00 0.00 C ATOM 1881 C GLY A 117 -5.419 11.411 -7.416 1.00 0.00 C ATOM 1882 O GLY A 117 -5.553 12.007 -6.358 1.00 0.00 O ATOM 0 H GLY A 117 -3.775 12.274 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.209 13.042 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.563 11.468 -9.199 1.00 0.00 H new ATOM 1886 N ASN A 118 -4.816 10.246 -7.522 1.00 0.00 N ATOM 1887 CA ASN A 118 -4.508 9.462 -6.342 1.00 0.00 C ATOM 1888 C ASN A 118 -3.143 9.816 -5.882 1.00 0.00 C ATOM 1889 O ASN A 118 -2.143 9.305 -6.421 1.00 0.00 O ATOM 1890 CB ASN A 118 -4.528 7.948 -6.582 1.00 0.00 C ATOM 1891 CG ASN A 118 -5.681 7.429 -7.388 1.00 0.00 C ATOM 1892 OD1 ASN A 118 -6.755 7.163 -6.900 1.00 0.00 O ATOM 1893 ND2 ASN A 118 -5.468 7.252 -8.648 1.00 0.00 N ATOM 0 H ASN A 118 -4.531 9.822 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.280 9.693 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.602 7.667 -7.084 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.531 7.446 -5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.210 6.884 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.558 7.480 -9.048 1.00 0.00 H new ATOM 1900 N ASN A 119 -3.074 10.737 -4.970 1.00 0.00 N ATOM 1901 CA ASN A 119 -1.817 11.169 -4.405 1.00 0.00 C ATOM 1902 C ASN A 119 -2.115 11.999 -3.168 1.00 0.00 C ATOM 1903 O ASN A 119 -1.268 12.725 -2.652 1.00 0.00 O ATOM 1904 CB ASN A 119 -1.026 11.980 -5.457 1.00 0.00 C ATOM 1905 CG ASN A 119 -1.481 13.427 -5.587 1.00 0.00 C ATOM 1906 OD1 ASN A 119 -0.919 14.333 -4.971 1.00 0.00 O ATOM 1907 ND2 ASN A 119 -2.527 13.644 -6.315 1.00 0.00 N ATOM 0 H ASN A 119 -3.889 11.218 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.203 10.315 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 119 0.032 11.964 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.121 11.491 -6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.909 14.587 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.970 12.872 -6.814 1.00 0.00 H new ATOM 1914 N THR A 120 -3.284 11.765 -2.614 1.00 0.00 N ATOM 1915 CA THR A 120 -3.838 12.554 -1.529 1.00 0.00 C ATOM 1916 C THR A 120 -3.000 12.439 -0.224 1.00 0.00 C ATOM 1917 O THR A 120 -3.160 13.218 0.716 1.00 0.00 O ATOM 1918 CB THR A 120 -5.292 12.106 -1.308 1.00 0.00 C ATOM 1919 OG1 THR A 120 -5.852 11.790 -2.603 1.00 0.00 O ATOM 1920 CG2 THR A 120 -6.108 13.235 -0.710 1.00 0.00 C ATOM 0 H THR A 120 -3.893 11.003 -2.911 1.00 0.00 H new ATOM 0 HA THR A 120 -3.809 13.609 -1.802 1.00 0.00 H new ATOM 0 HB THR A 120 -5.313 11.250 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.088 10.839 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.135 12.902 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.678 13.527 0.248 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.099 14.089 -1.388 1.00 0.00 H new ATOM 1928 N HIS A 121 -2.097 11.493 -0.216 1.00 0.00 N ATOM 1929 CA HIS A 121 -1.165 11.269 0.886 1.00 0.00 C ATOM 1930 C HIS A 121 0.269 11.135 0.366 1.00 0.00 C ATOM 1931 O HIS A 121 1.151 10.762 1.094 1.00 0.00 O ATOM 1932 CB HIS A 121 -1.548 10.024 1.691 1.00 0.00 C ATOM 1933 CG HIS A 121 -1.553 8.779 0.889 1.00 0.00 C ATOM 1934 ND1 HIS A 121 -1.793 7.533 1.374 1.00 0.00 N ATOM 1935 CD2 HIS A 121 -1.359 8.650 -0.404 1.00 0.00 C ATOM 1936 CE1 HIS A 121 -1.752 6.684 0.350 1.00 0.00 C ATOM 1937 NE2 HIS A 121 -1.492 7.322 -0.766 1.00 0.00 N ATOM 0 H HIS A 121 -1.977 10.836 -0.987 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.221 12.135 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.851 9.909 2.521 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -2.537 10.172 2.124 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -1.973 7.291 2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.130 9.459 -1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -1.911 5.619 0.427 1.00 0.00 H new ATOM 1945 N GLU A 122 0.474 11.472 -0.905 1.00 0.00 N ATOM 1946 CA GLU A 122 1.796 11.391 -1.561 1.00 0.00 C ATOM 1947 C GLU A 122 2.832 12.168 -0.760 1.00 0.00 C ATOM 1948 O GLU A 122 3.942 11.702 -0.564 1.00 0.00 O ATOM 1949 CB GLU A 122 1.636 11.876 -2.999 1.00 0.00 C ATOM 1950 CG GLU A 122 2.901 11.990 -3.877 1.00 0.00 C ATOM 1951 CD GLU A 122 3.684 13.275 -3.644 1.00 0.00 C ATOM 1952 OE1 GLU A 122 3.091 14.361 -3.786 1.00 0.00 O ATOM 1953 OE2 GLU A 122 4.887 13.229 -3.358 1.00 0.00 O ATOM 0 H GLU A 122 -0.267 11.811 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 122 2.166 10.366 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.942 11.203 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.163 12.857 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.550 11.137 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.612 11.934 -4.927 1.00 0.00 H new ATOM 1960 N GLN A 123 2.421 13.331 -0.284 1.00 0.00 N ATOM 1961 CA GLN A 123 3.182 14.129 0.672 1.00 0.00 C ATOM 1962 C GLN A 123 3.722 13.255 1.851 1.00 0.00 C ATOM 1963 O GLN A 123 4.923 13.274 2.183 1.00 0.00 O ATOM 1964 CB GLN A 123 2.288 15.263 1.212 1.00 0.00 C ATOM 1965 CG GLN A 123 0.849 14.843 1.572 1.00 0.00 C ATOM 1966 CD GLN A 123 -0.137 15.114 0.465 1.00 0.00 C ATOM 1967 OE1 GLN A 123 -0.716 16.188 0.365 1.00 0.00 O ATOM 1968 NE2 GLN A 123 -0.363 14.130 -0.330 1.00 0.00 N ATOM 0 H GLN A 123 1.534 13.758 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 123 4.046 14.552 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.760 15.686 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.243 16.056 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.836 13.780 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.535 15.375 2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 123 0.142 13.252 -0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.047 14.227 -1.080 1.00 0.00 H new ATOM 1977 N LEU A 124 2.853 12.449 2.404 1.00 0.00 N ATOM 1978 CA LEU A 124 3.186 11.577 3.490 1.00 0.00 C ATOM 1979 C LEU A 124 4.146 10.485 3.045 1.00 0.00 C ATOM 1980 O LEU A 124 5.087 10.166 3.750 1.00 0.00 O ATOM 1981 CB LEU A 124 1.902 11.011 4.126 1.00 0.00 C ATOM 1982 CG LEU A 124 2.068 9.827 5.078 1.00 0.00 C ATOM 1983 CD1 LEU A 124 1.020 9.875 6.162 1.00 0.00 C ATOM 1984 CD2 LEU A 124 1.921 8.527 4.298 1.00 0.00 C ATOM 0 H LEU A 124 1.880 12.382 2.105 1.00 0.00 H new ATOM 0 HA LEU A 124 3.708 12.150 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.408 11.817 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.230 10.709 3.323 1.00 0.00 H new ATOM 0 HG LEU A 124 3.056 9.879 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.151 9.026 6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.123 10.802 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.028 9.832 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.039 7.681 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.934 8.488 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.685 8.480 3.522 1.00 0.00 H new ATOM 1996 N LEU A 125 3.930 9.930 1.870 1.00 0.00 N ATOM 1997 CA LEU A 125 4.811 8.891 1.400 1.00 0.00 C ATOM 1998 C LEU A 125 6.162 9.412 1.038 1.00 0.00 C ATOM 1999 O LEU A 125 7.161 8.767 1.328 1.00 0.00 O ATOM 2000 CB LEU A 125 4.233 8.039 0.296 1.00 0.00 C ATOM 2001 CG LEU A 125 3.116 7.120 0.716 1.00 0.00 C ATOM 2002 CD1 LEU A 125 1.770 7.727 0.547 1.00 0.00 C ATOM 2003 CD2 LEU A 125 3.253 5.787 0.070 1.00 0.00 C ATOM 0 H LEU A 125 3.168 10.176 1.238 1.00 0.00 H new ATOM 0 HA LEU A 125 4.928 8.224 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.866 8.695 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.034 7.439 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 125 3.210 6.961 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.008 7.016 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.700 8.631 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.614 7.980 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.434 5.142 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.222 5.903 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.203 5.338 0.360 1.00 0.00 H new ATOM 2015 N ARG A 126 6.212 10.595 0.442 1.00 0.00 N ATOM 2016 CA ARG A 126 7.486 11.208 0.144 1.00 0.00 C ATOM 2017 C ARG A 126 8.183 11.544 1.439 1.00 0.00 C ATOM 2018 O ARG A 126 9.406 11.374 1.557 1.00 0.00 O ATOM 2019 CB ARG A 126 7.363 12.433 -0.756 1.00 0.00 C ATOM 2020 CG ARG A 126 6.714 13.607 -0.132 1.00 0.00 C ATOM 2021 CD ARG A 126 6.801 14.767 -1.024 1.00 0.00 C ATOM 2022 NE ARG A 126 6.358 15.990 -0.336 1.00 0.00 N ATOM 2023 CZ ARG A 126 6.556 17.242 -0.776 1.00 0.00 C ATOM 2024 NH1 ARG A 126 7.128 17.463 -1.959 1.00 0.00 N ATOM 2025 NH2 ARG A 126 6.179 18.270 -0.031 1.00 0.00 N ATOM 0 H ARG A 126 5.395 11.138 0.161 1.00 0.00 H new ATOM 0 HA ARG A 126 8.082 10.491 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.360 12.722 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.798 12.156 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.669 13.382 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.194 13.834 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.828 14.890 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.186 14.599 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 126 5.860 15.877 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.420 16.677 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 126 7.274 18.419 -2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.739 18.109 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.328 19.223 -0.363 1.00 0.00 H new ATOM 2039 N LYS A 127 7.386 11.954 2.436 1.00 0.00 N ATOM 2040 CA LYS A 127 7.901 12.241 3.746 1.00 0.00 C ATOM 2041 C LYS A 127 8.420 10.954 4.415 1.00 0.00 C ATOM 2042 O LYS A 127 9.474 10.966 5.035 1.00 0.00 O ATOM 2043 CB LYS A 127 6.819 12.904 4.606 1.00 0.00 C ATOM 2044 CG LYS A 127 7.309 13.513 5.904 1.00 0.00 C ATOM 2045 CD LYS A 127 8.326 14.609 5.636 1.00 0.00 C ATOM 2046 CE LYS A 127 8.641 15.393 6.886 1.00 0.00 C ATOM 2047 NZ LYS A 127 7.459 16.139 7.373 1.00 0.00 N ATOM 0 H LYS A 127 6.380 12.089 2.341 1.00 0.00 H new ATOM 0 HA LYS A 127 8.737 12.934 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.337 13.684 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.056 12.161 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 127 6.465 13.922 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.757 12.739 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 127 9.242 14.168 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 127 7.942 15.283 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.989 14.714 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.454 16.090 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.768 16.909 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.943 16.539 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.834 15.495 7.898 1.00 0.00 H new ATOM 2061 N ALA A 128 7.707 9.834 4.237 1.00 0.00 N ATOM 2062 CA ALA A 128 8.102 8.581 4.851 1.00 0.00 C ATOM 2063 C ALA A 128 9.329 8.049 4.155 1.00 0.00 C ATOM 2064 O ALA A 128 10.256 7.542 4.811 1.00 0.00 O ATOM 2065 CB ALA A 128 6.961 7.597 4.787 1.00 0.00 C ATOM 0 H ALA A 128 6.859 9.780 3.673 1.00 0.00 H new ATOM 0 HA ALA A 128 8.346 8.741 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.264 6.658 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.100 8.003 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.693 7.418 3.746 1.00 0.00 H new ATOM 2071 N GLU A 129 9.343 8.187 2.829 1.00 0.00 N ATOM 2072 CA GLU A 129 10.490 7.861 2.034 1.00 0.00 C ATOM 2073 C GLU A 129 11.676 8.644 2.558 1.00 0.00 C ATOM 2074 O GLU A 129 12.668 8.068 2.955 1.00 0.00 O ATOM 2075 CB GLU A 129 10.262 8.225 0.568 1.00 0.00 C ATOM 2076 CG GLU A 129 11.429 7.861 -0.320 1.00 0.00 C ATOM 2077 CD GLU A 129 11.305 8.402 -1.710 1.00 0.00 C ATOM 2078 OE1 GLU A 129 10.728 7.732 -2.574 1.00 0.00 O ATOM 2079 OE2 GLU A 129 11.798 9.532 -1.959 1.00 0.00 O ATOM 0 H GLU A 129 8.548 8.530 2.290 1.00 0.00 H new ATOM 0 HA GLU A 129 10.672 6.788 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.367 7.717 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.074 9.296 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 129 12.349 8.237 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.517 6.776 -0.366 1.00 0.00 H new ATOM 2086 N ALA A 130 11.525 9.965 2.630 1.00 0.00 N ATOM 2087 CA ALA A 130 12.584 10.837 3.088 1.00 0.00 C ATOM 2088 C ALA A 130 12.977 10.557 4.530 1.00 0.00 C ATOM 2089 O ALA A 130 14.131 10.742 4.903 1.00 0.00 O ATOM 2090 CB ALA A 130 12.235 12.289 2.881 1.00 0.00 C ATOM 0 H ALA A 130 10.666 10.451 2.372 1.00 0.00 H new ATOM 0 HA ALA A 130 13.459 10.619 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 130 13.054 12.914 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 130 12.070 12.476 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 130 11.328 12.528 3.437 1.00 0.00 H new ATOM 2096 N GLN A 131 12.029 10.106 5.322 1.00 0.00 N ATOM 2097 CA GLN A 131 12.273 9.709 6.691 1.00 0.00 C ATOM 2098 C GLN A 131 13.168 8.447 6.680 1.00 0.00 C ATOM 2099 O GLN A 131 14.226 8.370 7.365 1.00 0.00 O ATOM 2100 CB GLN A 131 10.900 9.438 7.353 1.00 0.00 C ATOM 2101 CG GLN A 131 10.858 9.410 8.878 1.00 0.00 C ATOM 2102 CD GLN A 131 11.548 8.234 9.530 1.00 0.00 C ATOM 2103 OE1 GLN A 131 12.062 8.366 10.628 1.00 0.00 O ATOM 2104 NE2 GLN A 131 11.533 7.086 8.902 1.00 0.00 N ATOM 0 H GLN A 131 11.057 10.004 5.030 1.00 0.00 H new ATOM 0 HA GLN A 131 12.789 10.483 7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.202 10.201 7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.531 8.480 6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 131 11.312 10.328 9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 131 9.815 9.417 9.195 1.00 0.00 H new ATOM 0 HE21 GLN A 131 11.094 7.012 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.960 6.265 9.330 1.00 0.00 H new ATOM 2113 N ALA A 132 12.812 7.512 5.817 1.00 0.00 N ATOM 2114 CA ALA A 132 13.508 6.256 5.727 1.00 0.00 C ATOM 2115 C ALA A 132 14.867 6.510 5.116 1.00 0.00 C ATOM 2116 O ALA A 132 15.829 5.823 5.386 1.00 0.00 O ATOM 2117 CB ALA A 132 12.686 5.285 4.891 1.00 0.00 C ATOM 0 H ALA A 132 12.034 7.608 5.164 1.00 0.00 H new ATOM 0 HA ALA A 132 13.646 5.810 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.210 4.332 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.715 5.131 5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.544 5.696 3.891 1.00 0.00 H new ATOM 2123 N LYS A 133 14.927 7.549 4.336 1.00 0.00 N ATOM 2124 CA LYS A 133 16.114 7.998 3.703 1.00 0.00 C ATOM 2125 C LYS A 133 17.044 8.604 4.688 1.00 0.00 C ATOM 2126 O LYS A 133 18.214 8.246 4.752 1.00 0.00 O ATOM 2127 CB LYS A 133 15.748 9.016 2.686 1.00 0.00 C ATOM 2128 CG LYS A 133 15.239 8.439 1.427 1.00 0.00 C ATOM 2129 CD LYS A 133 14.929 9.516 0.436 1.00 0.00 C ATOM 2130 CE LYS A 133 15.040 8.993 -0.977 1.00 0.00 C ATOM 2131 NZ LYS A 133 14.471 9.930 -1.970 1.00 0.00 N ATOM 0 H LYS A 133 14.113 8.124 4.120 1.00 0.00 H new ATOM 0 HA LYS A 133 16.614 7.148 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.990 9.679 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 133 16.622 9.629 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.979 7.756 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.342 7.853 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.923 9.897 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.615 10.352 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 133 16.088 8.810 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.525 8.035 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.704 9.603 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.438 9.968 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.870 10.879 -1.821 1.00 0.00 H new ATOM 2145 N LYS A 134 16.524 9.523 5.459 1.00 0.00 N ATOM 2146 CA LYS A 134 17.311 10.179 6.456 1.00 0.00 C ATOM 2147 C LYS A 134 17.772 9.217 7.521 1.00 0.00 C ATOM 2148 O LYS A 134 18.822 9.416 8.115 1.00 0.00 O ATOM 2149 CB LYS A 134 16.599 11.411 7.040 1.00 0.00 C ATOM 2150 CG LYS A 134 15.301 11.172 7.788 1.00 0.00 C ATOM 2151 CD LYS A 134 15.552 10.768 9.242 1.00 0.00 C ATOM 2152 CE LYS A 134 14.281 10.687 10.055 1.00 0.00 C ATOM 2153 NZ LYS A 134 13.649 12.009 10.232 1.00 0.00 N ATOM 0 H LYS A 134 15.553 9.832 5.411 1.00 0.00 H new ATOM 0 HA LYS A 134 18.208 10.554 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 134 17.291 11.912 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.395 12.103 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.694 12.077 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.731 10.390 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 134 16.054 9.801 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 134 16.228 11.489 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 134 13.579 10.013 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.503 10.258 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.904 11.944 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.366 12.699 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.231 12.317 9.331 1.00 0.00 H new ATOM 2167 N GLU A 135 17.002 8.166 7.781 1.00 0.00 N ATOM 2168 CA GLU A 135 17.486 7.235 8.795 1.00 0.00 C ATOM 2169 C GLU A 135 18.263 6.084 8.181 1.00 0.00 C ATOM 2170 O GLU A 135 19.028 5.392 8.856 1.00 0.00 O ATOM 2171 CB GLU A 135 16.392 6.745 9.684 1.00 0.00 C ATOM 2172 CG GLU A 135 15.385 5.855 9.040 1.00 0.00 C ATOM 2173 CD GLU A 135 14.516 5.175 10.068 1.00 0.00 C ATOM 2174 OE1 GLU A 135 15.015 4.255 10.763 1.00 0.00 O ATOM 2175 OE2 GLU A 135 13.337 5.552 10.226 1.00 0.00 O ATOM 0 H GLU A 135 16.108 7.945 7.343 1.00 0.00 H new ATOM 0 HA GLU A 135 18.177 7.795 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 135 16.841 6.209 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 135 15.873 7.608 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.761 6.439 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 135 15.894 5.103 8.437 1.00 0.00 H new ATOM 2182 N LYS A 136 17.998 5.880 6.929 1.00 0.00 N ATOM 2183 CA LYS A 136 18.649 4.898 6.048 1.00 0.00 C ATOM 2184 C LYS A 136 18.118 3.511 6.306 1.00 0.00 C ATOM 2185 O LYS A 136 18.661 2.730 7.084 1.00 0.00 O ATOM 2186 CB LYS A 136 20.188 4.973 6.024 1.00 0.00 C ATOM 2187 CG LYS A 136 20.702 6.353 5.635 1.00 0.00 C ATOM 2188 CD LYS A 136 22.194 6.385 5.337 1.00 0.00 C ATOM 2189 CE LYS A 136 22.523 5.685 4.028 1.00 0.00 C ATOM 2190 NZ LYS A 136 23.950 5.803 3.690 1.00 0.00 N ATOM 0 H LYS A 136 17.280 6.416 6.442 1.00 0.00 H new ATOM 0 HA LYS A 136 18.374 5.173 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 136 20.576 4.709 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 136 20.573 4.235 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 136 20.157 6.701 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 136 20.486 7.053 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 136 22.533 7.420 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 136 22.738 5.907 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 136 22.252 4.632 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 136 21.923 6.114 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 24.136 5.313 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 24.203 6.807 3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 24.522 5.372 4.444 1.00 0.00 H new ATOM 2204 N LEU A 137 17.010 3.263 5.678 1.00 0.00 N ATOM 2205 CA LEU A 137 16.223 2.078 5.849 1.00 0.00 C ATOM 2206 C LEU A 137 16.180 1.180 4.635 1.00 0.00 C ATOM 2207 O LEU A 137 15.754 1.607 3.577 1.00 0.00 O ATOM 2208 CB LEU A 137 14.840 2.520 6.115 1.00 0.00 C ATOM 2209 CG LEU A 137 14.452 2.778 7.535 1.00 0.00 C ATOM 2210 CD1 LEU A 137 13.048 3.219 7.612 1.00 0.00 C ATOM 2211 CD2 LEU A 137 14.619 1.577 8.389 1.00 0.00 C ATOM 0 H LEU A 137 16.610 3.911 5.000 1.00 0.00 H new ATOM 0 HA LEU A 137 16.675 1.500 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 137 14.666 3.435 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 137 14.164 1.764 5.715 1.00 0.00 H new ATOM 0 HG LEU A 137 15.116 3.560 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 137 12.781 3.403 8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 137 12.923 4.137 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.400 2.444 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.325 1.814 9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 137 13.993 0.770 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 137 15.663 1.263 8.375 1.00 0.00 H new ATOM 2223 N ASN A 138 16.544 -0.076 4.845 1.00 0.00 N ATOM 2224 CA ASN A 138 16.566 -1.174 3.838 1.00 0.00 C ATOM 2225 C ASN A 138 17.115 -0.725 2.483 1.00 0.00 C ATOM 2226 O ASN A 138 18.325 -0.773 2.254 1.00 0.00 O ATOM 2227 CB ASN A 138 15.199 -1.884 3.655 1.00 0.00 C ATOM 2228 CG ASN A 138 14.634 -2.598 4.884 1.00 0.00 C ATOM 2229 OD1 ASN A 138 14.945 -3.759 5.149 1.00 0.00 O ATOM 2230 ND2 ASN A 138 13.751 -1.946 5.591 1.00 0.00 N ATOM 0 H ASN A 138 16.851 -0.393 5.764 1.00 0.00 H new ATOM 0 HA ASN A 138 17.254 -1.908 4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 138 14.471 -1.143 3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 138 15.298 -2.614 2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 138 13.300 -2.398 6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 138 13.513 -0.984 5.348 1.00 0.00 H new ATOM 2237 N ILE A 139 16.230 -0.243 1.598 1.00 0.00 N ATOM 2238 CA ILE A 139 16.639 0.266 0.287 1.00 0.00 C ATOM 2239 C ILE A 139 17.535 1.479 0.442 1.00 0.00 C ATOM 2240 O ILE A 139 18.489 1.670 -0.291 1.00 0.00 O ATOM 2241 CB ILE A 139 15.429 0.621 -0.623 1.00 0.00 C ATOM 2242 CG1 ILE A 139 14.408 1.511 0.089 1.00 0.00 C ATOM 2243 CG2 ILE A 139 14.765 -0.626 -1.167 1.00 0.00 C ATOM 2244 CD1 ILE A 139 13.212 1.869 -0.771 1.00 0.00 C ATOM 0 H ILE A 139 15.226 -0.196 1.770 1.00 0.00 H new ATOM 0 HA ILE A 139 17.190 -0.539 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 139 15.827 1.192 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 139 14.060 1.003 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 139 14.900 2.428 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 139 13.923 -0.344 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 139 15.485 -1.195 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 139 14.408 -1.239 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 139 12.531 2.501 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 139 13.549 2.406 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 139 12.695 0.958 -1.073 1.00 0.00 H new ATOM 2256 N TRP A 140 17.266 2.226 1.458 1.00 0.00 N ATOM 2257 CA TRP A 140 17.945 3.455 1.761 1.00 0.00 C ATOM 2258 C TRP A 140 19.241 3.211 2.492 1.00 0.00 C ATOM 2259 O TRP A 140 19.961 4.141 2.819 1.00 0.00 O ATOM 2260 CB TRP A 140 16.991 4.329 2.545 1.00 0.00 C ATOM 2261 CG TRP A 140 15.767 4.651 1.780 1.00 0.00 C ATOM 2262 CD1 TRP A 140 14.533 4.627 2.268 1.00 0.00 C ATOM 2263 CD2 TRP A 140 15.644 4.990 0.371 1.00 0.00 C ATOM 2264 NE1 TRP A 140 13.624 4.874 1.277 1.00 0.00 N ATOM 2265 CE2 TRP A 140 14.281 5.119 0.112 1.00 0.00 C ATOM 2266 CE3 TRP A 140 16.544 5.187 -0.686 1.00 0.00 C ATOM 2267 CZ2 TRP A 140 13.783 5.433 -1.148 1.00 0.00 C ATOM 2268 CZ3 TRP A 140 16.048 5.503 -1.932 1.00 0.00 C ATOM 2269 CH2 TRP A 140 14.680 5.620 -2.154 1.00 0.00 C ATOM 0 H TRP A 140 16.537 1.994 2.133 1.00 0.00 H new ATOM 0 HA TRP A 140 18.228 3.966 0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 140 16.716 3.823 3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 140 17.496 5.254 2.825 1.00 0.00 H new ATOM 0 HD1 TRP A 140 14.282 4.439 3.302 1.00 0.00 H new ATOM 0 HE1 TRP A 140 12.611 4.874 1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 140 17.608 5.093 -0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 12.721 5.525 -1.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 16.734 5.663 -2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 140 14.323 5.864 -3.144 1.00 0.00 H new