USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 652 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 85 LYS NZ :NH3+ -141:sc= 1.63 (180deg=1.05) USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0.434 USER MOD Set 2.1: A 60 THR OG1 : rot -127:sc= 0.962 USER MOD Set 2.2: A 101 LYS NZ :NH3+ -158:sc= 1.19 (180deg=-0.187) USER MOD Set 2.3: A 103 ASN : amide:sc= 1.11 K(o=3.3,f=1.3) USER MOD Set 3.1: A 22 THR OG1 : rot -71:sc= 0.553 USER MOD Set 3.2: A 53 THR OG1 : rot -134:sc= 0.517 USER MOD Set 3.3: A 109 ASN : amide:sc= 0.678 K(o=1.7,f=1.2) USER MOD Set 4.1: A 21 TYR OH : rot 150:sc= 0.107 USER MOD Set 4.2: A 86 TYR OH : rot -2:sc= 1.21 USER MOD Single : A 20 THR OG1 : rot 82:sc= 1.16 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.377 K(o=0.38,f=-3.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -165:sc= 1.41 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.014) USER MOD Single : A 52 SER OG : rot -62:sc= 0.16 USER MOD Single : A 54 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.329 X(o=0.33,f=0) USER MOD Single : A 59 MET CE :methyl -174:sc= -0.253 (180deg=-0.272) USER MOD Single : A 66 ASN : amide:sc= -4.38! C(o=-4.4!,f=-14!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.799) USER MOD Single : A 78 ASN : amide:sc= -7.99! C(o=-8!,f=-10!) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.23) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -101:sc= 0.553 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 95 SER OG : rot 180:sc= 0.091 USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= 0.894 (180deg=0.148!) USER MOD Single : A 102 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.73) USER MOD Single : A 104 SER OG : rot 6:sc= 0.513 USER MOD Single : A 105 SER OG : rot 164:sc= 0.83 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 108 SER OG : rot 12:sc= 0.459 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -4.912 -10.264 0.576 1.00 0.00 N ATOM 92 CA ALA A 19 -4.112 -10.096 -0.625 1.00 0.00 C ATOM 93 C ALA A 19 -2.712 -9.635 -0.247 1.00 0.00 C ATOM 94 O ALA A 19 -2.423 -8.438 -0.202 1.00 0.00 O ATOM 95 CB ALA A 19 -4.770 -9.112 -1.583 1.00 0.00 C ATOM 0 HA ALA A 19 -4.040 -11.055 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.152 -9.003 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.754 -9.484 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.875 -8.143 -1.094 1.00 0.00 H new ATOM 101 N THR A 20 -1.856 -10.595 0.056 1.00 0.00 N ATOM 102 CA THR A 20 -0.505 -10.297 0.478 1.00 0.00 C ATOM 103 C THR A 20 0.407 -10.060 -0.725 1.00 0.00 C ATOM 104 O THR A 20 0.664 -10.961 -1.529 1.00 0.00 O ATOM 105 CB THR A 20 0.061 -11.419 1.379 1.00 0.00 C ATOM 106 OG1 THR A 20 1.424 -11.141 1.708 1.00 0.00 O ATOM 107 CG2 THR A 20 -0.048 -12.789 0.716 1.00 0.00 C ATOM 0 H THR A 20 -2.077 -11.590 0.016 1.00 0.00 H new ATOM 0 HA THR A 20 -0.539 -9.379 1.065 1.00 0.00 H new ATOM 0 HB THR A 20 -0.537 -11.445 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.458 -10.508 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.361 -13.549 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.095 -13.012 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.512 -12.786 -0.219 1.00 0.00 H new ATOM 115 N TYR A 21 0.869 -8.830 -0.863 1.00 0.00 N ATOM 116 CA TYR A 21 1.770 -8.479 -1.944 1.00 0.00 C ATOM 117 C TYR A 21 3.200 -8.788 -1.550 1.00 0.00 C ATOM 118 O TYR A 21 3.916 -7.922 -1.050 1.00 0.00 O ATOM 119 CB TYR A 21 1.643 -7.000 -2.302 1.00 0.00 C ATOM 120 CG TYR A 21 0.261 -6.599 -2.753 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.455 -7.376 -3.658 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.327 -5.443 -2.275 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.720 -7.005 -4.071 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.588 -5.067 -2.682 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.280 -5.847 -3.579 1.00 0.00 C ATOM 126 OH TYR A 21 -3.536 -5.459 -3.989 1.00 0.00 O ATOM 0 H TYR A 21 0.634 -8.058 -0.239 1.00 0.00 H new ATOM 0 HA TYR A 21 1.499 -9.071 -2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.920 -6.401 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.356 -6.765 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.015 -8.284 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.211 -4.825 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.265 -7.618 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.033 -4.161 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.973 -4.954 -3.271 1.00 0.00 H new ATOM 136 N THR A 22 3.600 -10.030 -1.751 1.00 0.00 N ATOM 137 CA THR A 22 4.964 -10.446 -1.483 1.00 0.00 C ATOM 138 C THR A 22 5.848 -10.136 -2.697 1.00 0.00 C ATOM 139 O THR A 22 6.348 -11.034 -3.379 1.00 0.00 O ATOM 140 CB THR A 22 5.029 -11.949 -1.110 1.00 0.00 C ATOM 141 OG1 THR A 22 6.389 -12.399 -1.057 1.00 0.00 O ATOM 142 CG2 THR A 22 4.243 -12.804 -2.100 1.00 0.00 C ATOM 0 H THR A 22 2.995 -10.773 -2.101 1.00 0.00 H new ATOM 0 HA THR A 22 5.339 -9.886 -0.626 1.00 0.00 H new ATOM 0 HB THR A 22 4.576 -12.059 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.757 -12.435 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.310 -13.852 -1.809 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.198 -12.493 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.659 -12.678 -3.100 1.00 0.00 H new ATOM 150 N GLY A 23 6.028 -8.849 -2.960 1.00 0.00 N ATOM 151 CA GLY A 23 6.787 -8.416 -4.118 1.00 0.00 C ATOM 152 C GLY A 23 8.216 -8.063 -3.769 1.00 0.00 C ATOM 153 O GLY A 23 8.587 -8.030 -2.598 1.00 0.00 O ATOM 0 H GLY A 23 5.659 -8.090 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.783 -9.207 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.300 -7.550 -4.566 1.00 0.00 H new ATOM 157 N THR A 24 9.018 -7.793 -4.783 1.00 0.00 N ATOM 158 CA THR A 24 10.410 -7.440 -4.571 1.00 0.00 C ATOM 159 C THR A 24 10.671 -5.992 -4.970 1.00 0.00 C ATOM 160 O THR A 24 10.335 -5.573 -6.079 1.00 0.00 O ATOM 161 CB THR A 24 11.346 -8.367 -5.371 1.00 0.00 C ATOM 162 OG1 THR A 24 10.603 -9.475 -5.903 1.00 0.00 O ATOM 163 CG2 THR A 24 12.478 -8.885 -4.494 1.00 0.00 C ATOM 0 H THR A 24 8.729 -7.811 -5.761 1.00 0.00 H new ATOM 0 HA THR A 24 10.617 -7.561 -3.508 1.00 0.00 H new ATOM 0 HB THR A 24 11.777 -7.791 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.204 -10.058 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.124 -9.537 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.059 -8.044 -4.115 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.062 -9.446 -3.657 1.00 0.00 H new ATOM 171 N ILE A 25 11.251 -5.227 -4.057 1.00 0.00 N ATOM 172 CA ILE A 25 11.575 -3.835 -4.322 1.00 0.00 C ATOM 173 C ILE A 25 13.055 -3.692 -4.667 1.00 0.00 C ATOM 174 O ILE A 25 13.905 -4.363 -4.079 1.00 0.00 O ATOM 175 CB ILE A 25 11.217 -2.929 -3.117 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.463 -1.457 -3.458 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.005 -3.324 -1.875 1.00 0.00 C ATOM 178 CD1 ILE A 25 10.195 -0.649 -3.596 1.00 0.00 C ATOM 0 H ILE A 25 11.507 -5.549 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 25 10.977 -3.511 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 25 10.157 -3.066 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.085 -1.012 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.025 -1.398 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.731 -2.670 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.776 -4.357 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.072 -3.228 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.446 0.384 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.581 -1.069 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.642 -0.677 -2.657 1.00 0.00 H new ATOM 190 N GLN A 26 13.353 -2.835 -5.635 1.00 0.00 N ATOM 191 CA GLN A 26 14.726 -2.624 -6.079 1.00 0.00 C ATOM 192 C GLN A 26 15.569 -2.002 -4.968 1.00 0.00 C ATOM 193 O GLN A 26 15.051 -1.285 -4.104 1.00 0.00 O ATOM 194 CB GLN A 26 14.755 -1.724 -7.317 1.00 0.00 C ATOM 195 CG GLN A 26 13.726 -2.093 -8.376 1.00 0.00 C ATOM 196 CD GLN A 26 12.484 -1.227 -8.306 1.00 0.00 C ATOM 197 OE1 GLN A 26 11.571 -1.496 -7.526 1.00 0.00 O ATOM 198 NE2 GLN A 26 12.438 -0.187 -9.123 1.00 0.00 N ATOM 0 H GLN A 26 12.660 -2.273 -6.129 1.00 0.00 H new ATOM 0 HA GLN A 26 15.149 -3.596 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.588 -0.692 -7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.749 -1.767 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.176 -1.998 -9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.443 -3.139 -8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.217 0.000 -9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.624 0.427 -9.121 1.00 0.00 H new ATOM 207 N GLY A 27 16.865 -2.287 -4.992 1.00 0.00 N ATOM 208 CA GLY A 27 17.774 -1.696 -4.031 1.00 0.00 C ATOM 209 C GLY A 27 17.846 -0.192 -4.189 1.00 0.00 C ATOM 210 O GLY A 27 18.182 0.303 -5.271 1.00 0.00 O ATOM 0 H GLY A 27 17.303 -2.919 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.447 -1.942 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.768 -2.124 -4.158 1.00 0.00 H new ATOM 214 N LYS A 28 17.518 0.527 -3.115 1.00 0.00 N ATOM 215 CA LYS A 28 17.464 1.989 -3.137 1.00 0.00 C ATOM 216 C LYS A 28 16.375 2.475 -4.091 1.00 0.00 C ATOM 217 O LYS A 28 16.544 3.482 -4.783 1.00 0.00 O ATOM 218 CB LYS A 28 18.818 2.582 -3.542 1.00 0.00 C ATOM 219 CG LYS A 28 19.856 2.559 -2.434 1.00 0.00 C ATOM 220 CD LYS A 28 21.259 2.379 -2.991 1.00 0.00 C ATOM 221 CE LYS A 28 22.039 3.685 -2.976 1.00 0.00 C ATOM 222 NZ LYS A 28 21.469 4.685 -3.914 1.00 0.00 N ATOM 0 H LYS A 28 17.284 0.116 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 28 17.225 2.328 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.204 2.030 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.670 3.612 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.805 3.488 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.632 1.749 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.791 1.630 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.200 2.001 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.040 4.095 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.078 3.490 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.030 5.560 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.491 4.305 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.486 4.892 -3.646 1.00 0.00 H new ATOM 236 N GLY A 29 15.265 1.747 -4.136 1.00 0.00 N ATOM 237 CA GLY A 29 14.178 2.098 -5.032 1.00 0.00 C ATOM 238 C GLY A 29 12.930 2.533 -4.290 1.00 0.00 C ATOM 239 O GLY A 29 12.686 2.098 -3.164 1.00 0.00 O ATOM 0 H GLY A 29 15.098 0.918 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.502 2.902 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.941 1.242 -5.663 1.00 0.00 H new ATOM 243 N GLU A 30 12.138 3.390 -4.924 1.00 0.00 N ATOM 244 CA GLU A 30 10.912 3.899 -4.318 1.00 0.00 C ATOM 245 C GLU A 30 9.797 3.990 -5.355 1.00 0.00 C ATOM 246 O GLU A 30 9.894 4.746 -6.321 1.00 0.00 O ATOM 247 CB GLU A 30 11.149 5.273 -3.680 1.00 0.00 C ATOM 248 CG GLU A 30 12.261 6.080 -4.333 1.00 0.00 C ATOM 249 CD GLU A 30 11.859 7.515 -4.594 1.00 0.00 C ATOM 250 OE1 GLU A 30 11.222 8.130 -3.710 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.162 8.034 -5.684 1.00 0.00 O ATOM 0 H GLU A 30 12.323 3.748 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 30 10.609 3.201 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.224 5.847 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.387 5.135 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.142 6.064 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.543 5.608 -5.274 1.00 0.00 H new ATOM 258 N VAL A 31 8.740 3.219 -5.150 1.00 0.00 N ATOM 259 CA VAL A 31 7.636 3.165 -6.104 1.00 0.00 C ATOM 260 C VAL A 31 6.317 3.516 -5.439 1.00 0.00 C ATOM 261 O VAL A 31 6.203 3.493 -4.216 1.00 0.00 O ATOM 262 CB VAL A 31 7.520 1.768 -6.781 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.889 1.119 -6.956 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.601 0.843 -5.983 1.00 0.00 C ATOM 0 H VAL A 31 8.621 2.621 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 31 7.856 3.904 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 31 7.085 1.924 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.772 0.145 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.516 1.755 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.359 0.992 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.539 -0.125 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.002 0.710 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.606 1.283 -5.921 1.00 0.00 H new ATOM 274 N CYS A 32 5.330 3.847 -6.251 1.00 0.00 N ATOM 275 CA CYS A 32 4.045 4.293 -5.750 1.00 0.00 C ATOM 276 C CYS A 32 2.901 3.505 -6.384 1.00 0.00 C ATOM 277 O CYS A 32 2.754 3.483 -7.605 1.00 0.00 O ATOM 278 CB CYS A 32 3.879 5.783 -6.039 1.00 0.00 C ATOM 279 SG CYS A 32 5.364 6.566 -6.754 1.00 0.00 S ATOM 0 H CYS A 32 5.396 3.815 -7.268 1.00 0.00 H new ATOM 0 HA CYS A 32 4.013 4.121 -4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.042 5.919 -6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.619 6.296 -5.113 1.00 0.00 H new ATOM 0 HG CYS A 32 5.258 7.859 -6.667 1.00 0.00 H new ATOM 284 N ILE A 33 2.115 2.839 -5.550 1.00 0.00 N ATOM 285 CA ILE A 33 0.903 2.170 -6.005 1.00 0.00 C ATOM 286 C ILE A 33 -0.292 3.113 -5.851 1.00 0.00 C ATOM 287 O ILE A 33 -0.111 4.275 -5.487 1.00 0.00 O ATOM 288 CB ILE A 33 0.637 0.841 -5.257 1.00 0.00 C ATOM 289 CG1 ILE A 33 1.935 0.278 -4.661 1.00 0.00 C ATOM 290 CG2 ILE A 33 0.008 -0.173 -6.207 1.00 0.00 C ATOM 291 CD1 ILE A 33 1.784 -1.103 -4.054 1.00 0.00 C ATOM 0 H ILE A 33 2.296 2.747 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 33 1.045 1.916 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.054 1.039 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.695 0.240 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.299 0.963 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.176 -1.106 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.935 0.220 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.685 -0.359 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.743 -1.432 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.049 -1.069 -3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.451 -1.803 -4.820 1.00 0.00 H new ATOM 476 N LEU A 46 -7.646 2.115 6.926 1.00 0.00 N ATOM 477 CA LEU A 46 -6.260 1.989 6.527 1.00 0.00 C ATOM 478 C LEU A 46 -5.458 1.089 7.462 1.00 0.00 C ATOM 479 O LEU A 46 -4.664 1.547 8.283 1.00 0.00 O ATOM 480 CB LEU A 46 -5.612 3.355 6.370 1.00 0.00 C ATOM 481 CG LEU A 46 -5.615 3.894 4.934 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.870 3.471 4.181 1.00 0.00 C ATOM 483 CD2 LEU A 46 -5.511 5.396 4.941 1.00 0.00 C ATOM 0 HA LEU A 46 -6.253 1.498 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.130 4.066 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.582 3.298 6.722 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.751 3.471 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.838 3.871 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.921 2.383 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.750 3.856 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.514 5.766 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.359 5.817 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.584 5.694 5.431 1.00 0.00 H new ATOM 495 N TYR A 47 -5.692 -0.210 7.312 1.00 0.00 N ATOM 496 CA TYR A 47 -4.795 -1.225 7.825 1.00 0.00 C ATOM 497 C TYR A 47 -4.357 -2.179 6.699 1.00 0.00 C ATOM 498 O TYR A 47 -5.177 -2.769 5.994 1.00 0.00 O ATOM 499 CB TYR A 47 -5.444 -2.017 8.975 1.00 0.00 C ATOM 500 CG TYR A 47 -5.416 -3.507 8.729 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.273 -4.245 8.994 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.503 -4.156 8.163 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.211 -5.587 8.706 1.00 0.00 C ATOM 504 CE2 TYR A 47 -6.455 -5.504 7.881 1.00 0.00 C ATOM 505 CZ TYR A 47 -5.306 -6.218 8.150 1.00 0.00 C ATOM 506 OH TYR A 47 -5.250 -7.562 7.858 1.00 0.00 O ATOM 0 H TYR A 47 -6.510 -0.583 6.831 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.913 -0.720 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.923 -1.794 9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.476 -1.691 9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.416 -3.757 9.434 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.400 -3.597 7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.310 -6.146 8.913 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.313 -5.999 7.451 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.104 -7.849 7.473 1.00 0.00 H new ATOM 516 N ALA A 48 -3.054 -2.270 6.514 1.00 0.00 N ATOM 517 CA ALA A 48 -2.432 -3.236 5.617 1.00 0.00 C ATOM 518 C ALA A 48 -1.020 -3.463 6.103 1.00 0.00 C ATOM 519 O ALA A 48 -0.171 -2.584 5.974 1.00 0.00 O ATOM 520 CB ALA A 48 -2.423 -2.740 4.178 1.00 0.00 C ATOM 0 H ALA A 48 -2.383 -1.666 6.989 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.002 -4.165 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.952 -3.487 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.447 -2.571 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.864 -1.806 4.118 1.00 0.00 H new ATOM 526 N VAL A 49 -0.768 -4.609 6.692 1.00 0.00 N ATOM 527 CA VAL A 49 0.486 -4.801 7.388 1.00 0.00 C ATOM 528 C VAL A 49 1.612 -5.139 6.424 1.00 0.00 C ATOM 529 O VAL A 49 1.632 -6.204 5.805 1.00 0.00 O ATOM 530 CB VAL A 49 0.374 -5.864 8.509 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.259 -7.151 7.995 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.736 -6.136 9.138 1.00 0.00 C ATOM 0 H VAL A 49 -1.400 -5.409 6.705 1.00 0.00 H new ATOM 0 HA VAL A 49 0.728 -3.852 7.867 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.282 -5.463 9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.322 -7.875 8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.260 -6.939 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.352 -7.561 7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.631 -6.886 9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.423 -6.503 8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.129 -5.214 9.567 1.00 0.00 H new ATOM 542 N LEU A 50 2.523 -4.194 6.275 1.00 0.00 N ATOM 543 CA LEU A 50 3.721 -4.419 5.502 1.00 0.00 C ATOM 544 C LEU A 50 4.719 -5.184 6.348 1.00 0.00 C ATOM 545 O LEU A 50 4.951 -4.837 7.509 1.00 0.00 O ATOM 546 CB LEU A 50 4.337 -3.098 5.025 1.00 0.00 C ATOM 547 CG LEU A 50 5.621 -3.262 4.207 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.297 -3.681 2.780 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.449 -1.983 4.214 1.00 0.00 C ATOM 0 H LEU A 50 2.451 -3.262 6.683 1.00 0.00 H new ATOM 0 HA LEU A 50 3.461 -4.999 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.602 -2.564 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.550 -2.475 5.894 1.00 0.00 H new ATOM 0 HG LEU A 50 6.215 -4.048 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.222 -3.792 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.763 -4.631 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.674 -2.920 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.354 -2.132 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.865 -1.169 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.721 -1.731 5.239 1.00 0.00 H new ATOM 561 N HIS A 51 5.263 -6.246 5.775 1.00 0.00 N ATOM 562 CA HIS A 51 6.266 -7.058 6.439 1.00 0.00 C ATOM 563 C HIS A 51 7.600 -6.933 5.717 1.00 0.00 C ATOM 564 O HIS A 51 7.649 -6.517 4.556 1.00 0.00 O ATOM 565 CB HIS A 51 5.824 -8.519 6.485 1.00 0.00 C ATOM 566 CG HIS A 51 4.871 -8.816 7.601 1.00 0.00 C ATOM 567 ND1 HIS A 51 5.231 -8.768 8.927 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.560 -9.147 7.581 1.00 0.00 C ATOM 569 CE1 HIS A 51 4.185 -9.055 9.676 1.00 0.00 C ATOM 570 NE2 HIS A 51 3.155 -9.293 8.886 1.00 0.00 N ATOM 0 H HIS A 51 5.021 -6.568 4.838 1.00 0.00 H new ATOM 0 HA HIS A 51 6.384 -6.701 7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.354 -8.779 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.704 -9.154 6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.945 -9.273 6.702 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.173 -9.090 10.755 1.00 0.00 H new ATOM 0 HE2 HIS A 51 2.215 -9.544 9.193 1.00 0.00 H new ATOM 579 N SER A 52 8.670 -7.315 6.393 1.00 0.00 N ATOM 580 CA SER A 52 10.010 -7.121 5.875 1.00 0.00 C ATOM 581 C SER A 52 10.716 -8.456 5.649 1.00 0.00 C ATOM 582 O SER A 52 10.888 -9.241 6.580 1.00 0.00 O ATOM 583 CB SER A 52 10.810 -6.271 6.862 1.00 0.00 C ATOM 584 OG SER A 52 10.147 -6.181 8.114 1.00 0.00 O ATOM 0 H SER A 52 8.634 -7.764 7.308 1.00 0.00 H new ATOM 0 HA SER A 52 9.941 -6.613 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.800 -6.705 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.955 -5.272 6.451 1.00 0.00 H new ATOM 0 HG SER A 52 9.278 -5.745 7.993 1.00 0.00 H new ATOM 590 N THR A 53 11.115 -8.714 4.413 1.00 0.00 N ATOM 591 CA THR A 53 11.855 -9.925 4.090 1.00 0.00 C ATOM 592 C THR A 53 13.272 -9.593 3.626 1.00 0.00 C ATOM 593 O THR A 53 13.622 -9.796 2.462 1.00 0.00 O ATOM 594 CB THR A 53 11.136 -10.742 3.003 1.00 0.00 C ATOM 595 OG1 THR A 53 9.715 -10.608 3.150 1.00 0.00 O ATOM 596 CG2 THR A 53 11.525 -12.212 3.081 1.00 0.00 C ATOM 0 H THR A 53 10.939 -8.101 3.617 1.00 0.00 H new ATOM 0 HA THR A 53 11.911 -10.523 5.000 1.00 0.00 H new ATOM 0 HB THR A 53 11.439 -10.356 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.294 -11.490 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.003 -12.768 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.601 -12.312 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.249 -12.610 4.058 1.00 0.00 H new ATOM 604 N ASN A 54 14.072 -9.053 4.541 1.00 0.00 N ATOM 605 CA ASN A 54 15.473 -8.752 4.271 1.00 0.00 C ATOM 606 C ASN A 54 16.165 -8.323 5.555 1.00 0.00 C ATOM 607 O ASN A 54 15.505 -7.833 6.474 1.00 0.00 O ATOM 608 CB ASN A 54 15.605 -7.642 3.226 1.00 0.00 C ATOM 609 CG ASN A 54 16.844 -7.807 2.374 1.00 0.00 C ATOM 610 OD1 ASN A 54 17.909 -7.280 2.693 1.00 0.00 O ATOM 611 ND2 ASN A 54 16.716 -8.547 1.286 1.00 0.00 N ATOM 0 H ASN A 54 13.769 -8.813 5.485 1.00 0.00 H new ATOM 0 HA ASN A 54 15.945 -9.654 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.723 -7.641 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.636 -6.675 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.519 -8.699 0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 54 15.815 -8.966 1.058 1.00 0.00 H new ATOM 618 N VAL A 55 17.481 -8.517 5.622 1.00 0.00 N ATOM 619 CA VAL A 55 18.262 -8.090 6.781 1.00 0.00 C ATOM 620 C VAL A 55 18.093 -6.595 7.009 1.00 0.00 C ATOM 621 O VAL A 55 17.533 -6.169 8.019 1.00 0.00 O ATOM 622 CB VAL A 55 19.767 -8.399 6.630 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.143 -9.620 7.454 1.00 0.00 C ATOM 624 CG2 VAL A 55 20.149 -8.593 5.167 1.00 0.00 C ATOM 0 H VAL A 55 18.028 -8.967 4.888 1.00 0.00 H new ATOM 0 HA VAL A 55 17.883 -8.654 7.633 1.00 0.00 H new ATOM 0 HB VAL A 55 20.327 -7.542 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.207 -9.825 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.923 -9.431 8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.568 -10.481 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.215 -8.809 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.581 -9.425 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.924 -7.684 4.609 1.00 0.00 H new ATOM 634 N ASN A 56 18.568 -5.801 6.063 1.00 0.00 N ATOM 635 CA ASN A 56 18.342 -4.367 6.100 1.00 0.00 C ATOM 636 C ASN A 56 17.124 -4.034 5.260 1.00 0.00 C ATOM 637 O ASN A 56 17.234 -3.405 4.207 1.00 0.00 O ATOM 638 CB ASN A 56 19.557 -3.582 5.591 1.00 0.00 C ATOM 639 CG ASN A 56 20.281 -2.843 6.702 1.00 0.00 C ATOM 640 OD1 ASN A 56 21.457 -3.094 6.965 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.592 -1.916 7.353 1.00 0.00 N ATOM 0 H ASN A 56 19.111 -6.125 5.263 1.00 0.00 H new ATOM 0 HA ASN A 56 18.177 -4.076 7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 56 20.250 -4.268 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 56 19.232 -2.867 4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.035 -1.382 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.619 -1.737 7.106 1.00 0.00 H new ATOM 648 N ALA A 57 15.964 -4.490 5.716 1.00 0.00 N ATOM 649 CA ALA A 57 14.713 -4.212 5.033 1.00 0.00 C ATOM 650 C ALA A 57 14.299 -2.777 5.305 1.00 0.00 C ATOM 651 O ALA A 57 13.298 -2.508 5.972 1.00 0.00 O ATOM 652 CB ALA A 57 13.638 -5.183 5.482 1.00 0.00 C ATOM 0 H ALA A 57 15.867 -5.056 6.559 1.00 0.00 H new ATOM 0 HA ALA A 57 14.849 -4.341 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.707 -4.961 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.949 -6.202 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.485 -5.085 6.557 1.00 0.00 H new ATOM 658 N ASP A 58 15.094 -1.867 4.783 1.00 0.00 N ATOM 659 CA ASP A 58 14.949 -0.448 5.060 1.00 0.00 C ATOM 660 C ASP A 58 13.857 0.166 4.201 1.00 0.00 C ATOM 661 O ASP A 58 14.101 1.103 3.454 1.00 0.00 O ATOM 662 CB ASP A 58 16.277 0.265 4.797 1.00 0.00 C ATOM 663 CG ASP A 58 16.918 0.792 6.062 1.00 0.00 C ATOM 664 OD1 ASP A 58 17.524 -0.010 6.805 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.837 2.013 6.306 1.00 0.00 O ATOM 0 H ASP A 58 15.864 -2.089 4.151 1.00 0.00 H new ATOM 0 HA ASP A 58 14.668 -0.328 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.964 -0.425 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.110 1.092 4.107 1.00 0.00 H new ATOM 670 N MET A 59 12.649 -0.347 4.323 1.00 0.00 N ATOM 671 CA MET A 59 11.550 0.153 3.520 1.00 0.00 C ATOM 672 C MET A 59 10.618 0.985 4.379 1.00 0.00 C ATOM 673 O MET A 59 10.117 0.519 5.401 1.00 0.00 O ATOM 674 CB MET A 59 10.771 -1.005 2.885 1.00 0.00 C ATOM 675 CG MET A 59 11.616 -1.928 2.028 1.00 0.00 C ATOM 676 SD MET A 59 10.696 -3.377 1.476 1.00 0.00 S ATOM 677 CE MET A 59 11.291 -4.619 2.618 1.00 0.00 C ATOM 0 H MET A 59 12.404 -1.102 4.963 1.00 0.00 H new ATOM 0 HA MET A 59 11.961 0.774 2.724 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.303 -1.590 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.967 -0.595 2.274 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.983 -1.380 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.490 -2.249 2.595 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.893 -5.594 2.335 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.380 -4.649 2.588 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.962 -4.372 3.628 1.00 0.00 H new ATOM 687 N THR A 60 10.401 2.215 3.968 1.00 0.00 N ATOM 688 CA THR A 60 9.455 3.079 4.636 1.00 0.00 C ATOM 689 C THR A 60 8.170 3.131 3.833 1.00 0.00 C ATOM 690 O THR A 60 8.163 3.600 2.693 1.00 0.00 O ATOM 691 CB THR A 60 10.008 4.509 4.806 1.00 0.00 C ATOM 692 OG1 THR A 60 11.434 4.517 4.623 1.00 0.00 O ATOM 693 CG2 THR A 60 9.663 5.062 6.180 1.00 0.00 C ATOM 0 H THR A 60 10.871 2.641 3.169 1.00 0.00 H new ATOM 0 HA THR A 60 9.268 2.670 5.629 1.00 0.00 H new ATOM 0 HB THR A 60 9.546 5.143 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.860 4.947 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.063 6.071 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.580 5.088 6.300 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.098 4.424 6.949 1.00 0.00 H new ATOM 701 N LEU A 61 7.093 2.617 4.400 1.00 0.00 N ATOM 702 CA LEU A 61 5.814 2.677 3.727 1.00 0.00 C ATOM 703 C LEU A 61 5.188 4.029 4.000 1.00 0.00 C ATOM 704 O LEU A 61 4.607 4.257 5.059 1.00 0.00 O ATOM 705 CB LEU A 61 4.898 1.556 4.218 1.00 0.00 C ATOM 706 CG LEU A 61 3.576 1.407 3.459 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.811 0.823 2.074 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.609 0.539 4.247 1.00 0.00 C ATOM 0 H LEU A 61 7.080 2.160 5.312 1.00 0.00 H new ATOM 0 HA LEU A 61 5.956 2.546 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.441 0.613 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.675 1.727 5.271 1.00 0.00 H new ATOM 0 HG LEU A 61 3.136 2.397 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.858 0.726 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.468 1.483 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.275 -0.159 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.674 0.442 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.046 -0.448 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.413 1.000 5.215 1.00 0.00 H new ATOM 720 N ILE A 62 5.293 4.924 3.043 1.00 0.00 N ATOM 721 CA ILE A 62 4.801 6.271 3.233 1.00 0.00 C ATOM 722 C ILE A 62 3.448 6.431 2.588 1.00 0.00 C ATOM 723 O ILE A 62 3.286 6.352 1.363 1.00 0.00 O ATOM 724 CB ILE A 62 5.807 7.349 2.743 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.099 8.671 2.423 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.596 6.859 1.540 1.00 0.00 C ATOM 727 CD1 ILE A 62 6.052 9.820 2.173 1.00 0.00 C ATOM 0 H ILE A 62 5.712 4.746 2.130 1.00 0.00 H new ATOM 0 HA ILE A 62 4.691 6.432 4.305 1.00 0.00 H new ATOM 0 HB ILE A 62 6.508 7.532 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.469 8.534 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.439 8.930 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.291 7.635 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.153 5.962 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.910 6.628 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.483 10.723 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.665 9.984 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.696 9.581 1.326 1.00 0.00 H new ATOM 739 N LEU A 63 2.474 6.593 3.457 1.00 0.00 N ATOM 740 CA LEU A 63 1.127 6.865 3.054 1.00 0.00 C ATOM 741 C LEU A 63 1.033 8.336 2.717 1.00 0.00 C ATOM 742 O LEU A 63 1.139 9.220 3.598 1.00 0.00 O ATOM 743 CB LEU A 63 0.163 6.479 4.163 1.00 0.00 C ATOM 744 CG LEU A 63 -1.292 6.852 3.929 1.00 0.00 C ATOM 745 CD1 LEU A 63 -1.708 6.614 2.489 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.189 6.073 4.868 1.00 0.00 C ATOM 0 H LEU A 63 2.604 6.538 4.467 1.00 0.00 H new ATOM 0 HA LEU A 63 0.856 6.277 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.223 5.401 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.495 6.949 5.089 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.397 7.918 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.754 6.892 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.088 7.219 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.581 5.560 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.228 6.349 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.062 5.005 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.923 6.303 5.900 1.00 0.00 H new ATOM 758 N LEU A 64 0.930 8.592 1.431 1.00 0.00 N ATOM 759 CA LEU A 64 1.007 9.937 0.951 1.00 0.00 C ATOM 760 C LEU A 64 -0.061 10.234 -0.093 1.00 0.00 C ATOM 761 O LEU A 64 -0.549 9.334 -0.767 1.00 0.00 O ATOM 762 CB LEU A 64 2.427 10.167 0.449 1.00 0.00 C ATOM 763 CG LEU A 64 2.647 10.193 -1.038 1.00 0.00 C ATOM 764 CD1 LEU A 64 2.686 11.620 -1.541 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.947 9.472 -1.318 1.00 0.00 C ATOM 0 H LEU A 64 0.794 7.884 0.709 1.00 0.00 H new ATOM 0 HA LEU A 64 0.798 10.641 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.777 11.115 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.062 9.386 0.868 1.00 0.00 H new ATOM 0 HG LEU A 64 1.829 9.696 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.846 11.621 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.740 12.112 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.500 12.156 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.139 9.472 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.763 9.980 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.877 8.444 -0.961 1.00 0.00 H new ATOM 777 N ARG A 65 -0.437 11.501 -0.198 1.00 0.00 N ATOM 778 CA ARG A 65 -1.390 11.932 -1.202 1.00 0.00 C ATOM 779 C ARG A 65 -1.166 13.407 -1.547 1.00 0.00 C ATOM 780 O ARG A 65 -1.420 14.303 -0.737 1.00 0.00 O ATOM 781 CB ARG A 65 -2.820 11.663 -0.689 1.00 0.00 C ATOM 782 CG ARG A 65 -3.839 12.762 -0.970 1.00 0.00 C ATOM 783 CD ARG A 65 -4.407 13.342 0.322 1.00 0.00 C ATOM 784 NE ARG A 65 -4.258 12.426 1.456 1.00 0.00 N ATOM 785 CZ ARG A 65 -4.449 12.775 2.729 1.00 0.00 C ATOM 786 NH1 ARG A 65 -4.760 14.029 3.038 1.00 0.00 N ATOM 787 NH2 ARG A 65 -4.314 11.866 3.690 1.00 0.00 N ATOM 0 H ARG A 65 -0.093 12.249 0.404 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.248 11.366 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.179 10.736 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.776 11.500 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.369 13.556 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.650 12.361 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.903 14.282 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.463 13.573 0.181 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.992 11.461 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.853 14.728 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.906 14.293 4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.065 10.906 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.459 12.129 4.665 1.00 0.00 H new ATOM 801 N ASN A 66 -0.607 13.639 -2.723 1.00 0.00 N ATOM 802 CA ASN A 66 -0.502 14.976 -3.289 1.00 0.00 C ATOM 803 C ASN A 66 -0.881 14.933 -4.758 1.00 0.00 C ATOM 804 O ASN A 66 -1.004 13.856 -5.334 1.00 0.00 O ATOM 805 CB ASN A 66 0.901 15.575 -3.113 1.00 0.00 C ATOM 806 CG ASN A 66 1.980 14.833 -3.879 1.00 0.00 C ATOM 807 OD1 ASN A 66 2.695 14.026 -3.303 1.00 0.00 O ATOM 808 ND2 ASN A 66 2.119 15.113 -5.169 1.00 0.00 N ATOM 0 H ASN A 66 -0.213 12.907 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.191 15.624 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.886 16.615 -3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.156 15.577 -2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.843 14.648 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.502 15.793 -5.613 1.00 0.00 H new ATOM 815 N VAL A 67 -1.062 16.095 -5.361 1.00 0.00 N ATOM 816 CA VAL A 67 -1.326 16.169 -6.789 1.00 0.00 C ATOM 817 C VAL A 67 -1.237 17.610 -7.280 1.00 0.00 C ATOM 818 O VAL A 67 -0.980 17.860 -8.456 1.00 0.00 O ATOM 819 CB VAL A 67 -2.698 15.557 -7.142 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.831 16.512 -6.808 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.746 15.152 -8.608 1.00 0.00 C ATOM 0 H VAL A 67 -1.031 16.998 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.561 15.583 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.830 14.661 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.784 16.051 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.816 16.736 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.708 17.435 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.722 14.723 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.581 16.029 -9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.970 14.413 -8.807 1.00 0.00 H new ATOM 831 N GLY A 68 -1.430 18.557 -6.366 1.00 0.00 N ATOM 832 CA GLY A 68 -1.250 19.956 -6.701 1.00 0.00 C ATOM 833 C GLY A 68 0.217 20.321 -6.724 1.00 0.00 C ATOM 834 O GLY A 68 0.596 21.386 -7.212 1.00 0.00 O ATOM 0 H GLY A 68 -1.708 18.379 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.695 20.161 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.772 20.578 -5.974 1.00 0.00 H new ATOM 838 N GLY A 69 1.038 19.425 -6.190 1.00 0.00 N ATOM 839 CA GLY A 69 2.466 19.632 -6.172 1.00 0.00 C ATOM 840 C GLY A 69 3.202 18.553 -6.931 1.00 0.00 C ATOM 841 O GLY A 69 2.749 17.409 -6.993 1.00 0.00 O ATOM 0 H GLY A 69 0.731 18.550 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.697 20.604 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.817 19.653 -5.140 1.00 0.00 H new ATOM 845 N ASN A 70 4.326 18.923 -7.522 1.00 0.00 N ATOM 846 CA ASN A 70 5.146 17.978 -8.264 1.00 0.00 C ATOM 847 C ASN A 70 5.998 17.161 -7.302 1.00 0.00 C ATOM 848 O ASN A 70 6.689 17.720 -6.445 1.00 0.00 O ATOM 849 CB ASN A 70 6.035 18.721 -9.268 1.00 0.00 C ATOM 850 CG ASN A 70 7.297 17.954 -9.628 1.00 0.00 C ATOM 851 OD1 ASN A 70 7.239 16.892 -10.250 1.00 0.00 O ATOM 852 ND2 ASN A 70 8.444 18.486 -9.237 1.00 0.00 N ATOM 0 H ASN A 70 4.693 19.874 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 70 4.494 17.301 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.464 18.916 -10.176 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.312 19.690 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.323 18.015 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.449 19.367 -8.724 1.00 0.00 H new ATOM 859 N GLY A 71 5.943 15.848 -7.440 1.00 0.00 N ATOM 860 CA GLY A 71 6.680 14.982 -6.546 1.00 0.00 C ATOM 861 C GLY A 71 5.842 14.555 -5.363 1.00 0.00 C ATOM 862 O GLY A 71 5.031 15.331 -4.859 1.00 0.00 O ATOM 0 H GLY A 71 5.401 15.365 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.017 14.100 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.572 15.499 -6.192 1.00 0.00 H new ATOM 866 N TRP A 72 6.035 13.327 -4.919 1.00 0.00 N ATOM 867 CA TRP A 72 5.252 12.781 -3.822 1.00 0.00 C ATOM 868 C TRP A 72 5.843 13.202 -2.476 1.00 0.00 C ATOM 869 O TRP A 72 6.988 12.866 -2.164 1.00 0.00 O ATOM 870 CB TRP A 72 5.194 11.254 -3.915 1.00 0.00 C ATOM 871 CG TRP A 72 4.518 10.730 -5.154 1.00 0.00 C ATOM 872 CD1 TRP A 72 5.094 9.971 -6.135 1.00 0.00 C ATOM 873 CD2 TRP A 72 3.136 10.895 -5.538 1.00 0.00 C ATOM 874 NE1 TRP A 72 4.173 9.686 -7.110 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.968 10.232 -6.768 1.00 0.00 C ATOM 876 CE3 TRP A 72 2.025 11.542 -4.976 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.747 10.195 -7.439 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.816 11.497 -5.643 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.685 10.828 -6.859 1.00 0.00 C ATOM 0 H TRP A 72 6.729 12.685 -5.302 1.00 0.00 H new ATOM 0 HA TRP A 72 4.239 13.177 -3.896 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.210 10.861 -3.877 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.670 10.869 -3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.123 9.644 -6.141 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.358 9.150 -7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.114 12.067 -4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.644 9.684 -8.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.044 11.990 -5.214 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.276 10.810 -7.352 1.00 0.00 H new ATOM 890 N GLY A 73 5.068 13.936 -1.678 1.00 0.00 N ATOM 891 CA GLY A 73 5.572 14.410 -0.398 1.00 0.00 C ATOM 892 C GLY A 73 4.496 14.612 0.661 1.00 0.00 C ATOM 893 O GLY A 73 4.227 15.741 1.071 1.00 0.00 O ATOM 0 H GLY A 73 4.109 14.209 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.306 13.697 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.095 15.354 -0.553 1.00 0.00 H new ATOM 897 N GLU A 74 3.876 13.522 1.099 1.00 0.00 N ATOM 898 CA GLU A 74 2.936 13.559 2.223 1.00 0.00 C ATOM 899 C GLU A 74 3.620 13.053 3.489 1.00 0.00 C ATOM 900 O GLU A 74 4.695 12.457 3.425 1.00 0.00 O ATOM 901 CB GLU A 74 1.670 12.764 1.937 1.00 0.00 C ATOM 902 CG GLU A 74 0.410 13.341 2.568 1.00 0.00 C ATOM 903 CD GLU A 74 -0.170 12.436 3.639 1.00 0.00 C ATOM 904 OE1 GLU A 74 0.281 12.523 4.799 1.00 0.00 O ATOM 905 OE2 GLU A 74 -1.083 11.639 3.335 1.00 0.00 O ATOM 0 H GLU A 74 4.006 12.595 0.693 1.00 0.00 H new ATOM 0 HA GLU A 74 2.632 14.595 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.528 12.706 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.807 11.744 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.638 14.314 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.338 13.506 1.792 1.00 0.00 H new ATOM 912 N ILE A 75 3.007 13.305 4.633 1.00 0.00 N ATOM 913 CA ILE A 75 3.694 13.199 5.910 1.00 0.00 C ATOM 914 C ILE A 75 3.596 11.818 6.582 1.00 0.00 C ATOM 915 O ILE A 75 4.299 11.579 7.570 1.00 0.00 O ATOM 916 CB ILE A 75 3.162 14.274 6.888 1.00 0.00 C ATOM 917 CG1 ILE A 75 4.212 14.596 7.955 1.00 0.00 C ATOM 918 CG2 ILE A 75 1.853 13.824 7.534 1.00 0.00 C ATOM 919 CD1 ILE A 75 5.097 15.769 7.598 1.00 0.00 C ATOM 0 H ILE A 75 2.029 13.586 4.704 1.00 0.00 H new ATOM 0 HA ILE A 75 4.748 13.355 5.682 1.00 0.00 H new ATOM 0 HB ILE A 75 2.961 15.182 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.707 14.806 8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.836 13.717 8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.500 14.597 8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.105 13.654 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.019 12.899 8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.816 15.939 8.399 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.630 15.554 6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.484 16.660 7.466 1.00 0.00 H new ATOM 931 N LYS A 76 2.761 10.894 6.097 1.00 0.00 N ATOM 932 CA LYS A 76 2.527 9.689 6.879 1.00 0.00 C ATOM 933 C LYS A 76 3.525 8.598 6.560 1.00 0.00 C ATOM 934 O LYS A 76 3.809 8.317 5.397 1.00 0.00 O ATOM 935 CB LYS A 76 1.125 9.173 6.665 1.00 0.00 C ATOM 936 CG LYS A 76 0.198 9.459 7.828 1.00 0.00 C ATOM 937 CD LYS A 76 -1.184 8.924 7.546 1.00 0.00 C ATOM 938 CE LYS A 76 -1.577 9.181 6.102 1.00 0.00 C ATOM 939 NZ LYS A 76 -1.683 10.636 5.788 1.00 0.00 N ATOM 0 H LYS A 76 2.260 10.954 5.210 1.00 0.00 H new ATOM 0 HA LYS A 76 2.654 9.966 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.713 9.623 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.163 8.097 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.593 9.003 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.149 10.533 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.213 7.854 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.905 9.396 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.841 8.723 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.533 8.698 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.717 10.767 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.550 11.021 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.856 11.135 6.173 1.00 0.00 H new ATOM 953 N ARG A 77 4.043 7.966 7.598 1.00 0.00 N ATOM 954 CA ARG A 77 4.993 6.894 7.414 1.00 0.00 C ATOM 955 C ARG A 77 4.662 5.700 8.294 1.00 0.00 C ATOM 956 O ARG A 77 4.656 5.790 9.521 1.00 0.00 O ATOM 957 CB ARG A 77 6.409 7.383 7.720 1.00 0.00 C ATOM 958 CG ARG A 77 7.157 7.886 6.498 1.00 0.00 C ATOM 959 CD ARG A 77 8.107 9.015 6.855 1.00 0.00 C ATOM 960 NE ARG A 77 9.074 8.620 7.877 1.00 0.00 N ATOM 961 CZ ARG A 77 9.591 9.458 8.773 1.00 0.00 C ATOM 962 NH1 ARG A 77 9.203 10.726 8.809 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.479 9.020 9.652 1.00 0.00 N ATOM 0 H ARG A 77 3.821 8.178 8.571 1.00 0.00 H new ATOM 0 HA ARG A 77 4.935 6.577 6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.356 8.183 8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.975 6.569 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.717 7.066 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.444 8.232 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.638 9.337 5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.534 9.871 7.211 1.00 0.00 H new ATOM 0 HE ARG A 77 9.370 7.644 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.504 11.065 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.603 11.362 9.498 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.766 8.041 9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.876 9.661 10.339 1.00 0.00 H new ATOM 977 N ASN A 78 4.368 4.589 7.647 1.00 0.00 N ATOM 978 CA ASN A 78 4.280 3.301 8.323 1.00 0.00 C ATOM 979 C ASN A 78 5.615 2.561 8.211 1.00 0.00 C ATOM 980 O ASN A 78 6.467 2.915 7.392 1.00 0.00 O ATOM 981 CB ASN A 78 3.161 2.454 7.717 1.00 0.00 C ATOM 982 CG ASN A 78 2.283 1.797 8.765 1.00 0.00 C ATOM 983 OD1 ASN A 78 1.806 0.685 8.573 1.00 0.00 O ATOM 984 ND2 ASN A 78 2.056 2.475 9.877 1.00 0.00 N ATOM 0 H ASN A 78 4.184 4.549 6.645 1.00 0.00 H new ATOM 0 HA ASN A 78 4.054 3.474 9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.543 3.083 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.599 1.683 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.468 2.074 10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.469 3.399 10.004 1.00 0.00 H new ATOM 991 N ASP A 79 5.787 1.533 9.029 1.00 0.00 N ATOM 992 CA ASP A 79 7.063 0.823 9.124 1.00 0.00 C ATOM 993 C ASP A 79 7.065 -0.447 8.273 1.00 0.00 C ATOM 994 O ASP A 79 6.157 -0.668 7.476 1.00 0.00 O ATOM 995 CB ASP A 79 7.342 0.470 10.585 1.00 0.00 C ATOM 996 CG ASP A 79 8.816 0.470 10.914 1.00 0.00 C ATOM 997 OD1 ASP A 79 9.408 1.563 11.011 1.00 0.00 O ATOM 998 OD2 ASP A 79 9.381 -0.626 11.092 1.00 0.00 O ATOM 0 H ASP A 79 5.058 1.167 9.641 1.00 0.00 H new ATOM 0 HA ASP A 79 7.846 1.479 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.830 1.183 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.925 -0.513 10.803 1.00 0.00 H new ATOM 1003 N ILE A 80 8.084 -1.285 8.469 1.00 0.00 N ATOM 1004 CA ILE A 80 8.212 -2.544 7.730 1.00 0.00 C ATOM 1005 C ILE A 80 7.588 -3.689 8.515 1.00 0.00 C ATOM 1006 O ILE A 80 7.818 -4.864 8.224 1.00 0.00 O ATOM 1007 CB ILE A 80 9.684 -2.904 7.418 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.655 -2.108 8.300 1.00 0.00 C ATOM 1009 CG2 ILE A 80 9.979 -2.671 5.945 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.730 -2.965 8.934 1.00 0.00 C ATOM 0 H ILE A 80 8.836 -1.114 9.136 1.00 0.00 H new ATOM 0 HA ILE A 80 7.688 -2.399 6.785 1.00 0.00 H new ATOM 0 HB ILE A 80 9.829 -3.961 7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.127 -1.331 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.092 -1.604 9.086 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.018 -2.928 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.323 -3.296 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.809 -1.622 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.382 -2.339 9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.266 -3.726 9.562 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.318 -3.448 8.153 1.00 0.00 H new ATOM 1022 N ASP A 81 6.814 -3.328 9.522 1.00 0.00 N ATOM 1023 CA ASP A 81 6.107 -4.285 10.358 1.00 0.00 C ATOM 1024 C ASP A 81 4.905 -3.583 10.972 1.00 0.00 C ATOM 1025 O ASP A 81 4.721 -3.561 12.192 1.00 0.00 O ATOM 1026 CB ASP A 81 7.038 -4.832 11.448 1.00 0.00 C ATOM 1027 CG ASP A 81 6.470 -6.043 12.164 1.00 0.00 C ATOM 1028 OD1 ASP A 81 5.660 -6.778 11.566 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.841 -6.270 13.333 1.00 0.00 O ATOM 0 H ASP A 81 6.656 -2.355 9.786 1.00 0.00 H new ATOM 0 HA ASP A 81 5.771 -5.132 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.995 -5.098 11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.235 -4.046 12.177 1.00 0.00 H new ATOM 1034 N LYS A 82 4.096 -2.986 10.106 1.00 0.00 N ATOM 1035 CA LYS A 82 3.009 -2.115 10.540 1.00 0.00 C ATOM 1036 C LYS A 82 1.841 -2.169 9.553 1.00 0.00 C ATOM 1037 O LYS A 82 2.046 -2.391 8.361 1.00 0.00 O ATOM 1038 CB LYS A 82 3.531 -0.682 10.666 1.00 0.00 C ATOM 1039 CG LYS A 82 3.362 -0.081 12.049 1.00 0.00 C ATOM 1040 CD LYS A 82 4.691 0.007 12.782 1.00 0.00 C ATOM 1041 CE LYS A 82 4.633 -0.684 14.131 1.00 0.00 C ATOM 1042 NZ LYS A 82 5.553 -1.848 14.201 1.00 0.00 N ATOM 0 H LYS A 82 4.172 -3.089 9.094 1.00 0.00 H new ATOM 0 HA LYS A 82 2.645 -2.458 11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.588 -0.667 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.013 -0.053 9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.925 0.914 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.665 -0.687 12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.473 -0.447 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.962 1.054 12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.890 0.029 14.915 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.613 -1.016 14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.663 -2.144 15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.160 -2.635 13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.481 -1.581 13.814 1.00 0.00 H new ATOM 1056 N PRO A 83 0.599 -1.984 10.043 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.607 -2.067 9.237 1.00 0.00 C ATOM 1058 C PRO A 83 -1.133 -0.707 8.766 1.00 0.00 C ATOM 1059 O PRO A 83 -1.729 0.049 9.537 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.602 -2.708 10.214 1.00 0.00 C ATOM 1061 CG PRO A 83 -1.000 -2.559 11.583 1.00 0.00 C ATOM 1062 CD PRO A 83 0.241 -1.719 11.427 1.00 0.00 C ATOM 0 HA PRO A 83 -0.438 -2.618 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.573 -2.215 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.764 -3.758 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.705 -2.083 12.265 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.756 -3.534 12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.045 -0.662 11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.028 -2.018 12.119 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.918 -0.417 7.494 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.481 0.761 6.845 1.00 0.00 C ATOM 1072 C LEU A 84 -2.087 0.342 5.517 1.00 0.00 C ATOM 1073 O LEU A 84 -1.384 -0.187 4.679 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.400 1.812 6.619 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.839 3.258 6.835 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -1.354 3.460 8.251 1.00 0.00 C ATOM 1077 CD2 LEU A 84 0.318 4.194 6.548 1.00 0.00 C ATOM 0 H LEU A 84 -0.346 -0.993 6.877 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.250 1.197 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.435 1.600 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.027 1.712 5.600 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.654 3.483 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.661 4.498 8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.207 2.804 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.563 3.223 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.001 5.225 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.146 3.965 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.642 4.066 5.515 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.392 0.528 5.353 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.115 -0.008 4.183 1.00 0.00 C ATOM 1091 C LYS A 85 -4.022 0.896 2.971 1.00 0.00 C ATOM 1092 O LYS A 85 -3.854 2.103 3.090 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.600 -0.220 4.478 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.412 -0.759 3.315 1.00 0.00 C ATOM 1095 CD LYS A 85 -6.035 -2.191 2.984 1.00 0.00 C ATOM 1096 CE LYS A 85 -7.176 -3.138 3.286 1.00 0.00 C ATOM 1097 NZ LYS A 85 -7.539 -3.120 4.725 1.00 0.00 N ATOM 0 H LYS A 85 -3.979 1.044 6.009 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.628 -0.959 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.694 -0.909 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.032 0.729 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.473 -0.709 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.255 -0.130 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.766 -2.265 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.156 -2.481 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.045 -2.863 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.896 -4.150 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.763 -4.086 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.740 -2.753 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.369 -2.509 4.866 1.00 0.00 H new ATOM 1111 N TYR A 86 -4.175 0.274 1.821 1.00 0.00 N ATOM 1112 CA TYR A 86 -4.365 0.974 0.558 1.00 0.00 C ATOM 1113 C TYR A 86 -5.447 0.289 -0.290 1.00 0.00 C ATOM 1114 O TYR A 86 -5.865 -0.829 0.009 1.00 0.00 O ATOM 1115 CB TYR A 86 -3.051 1.063 -0.222 1.00 0.00 C ATOM 1116 CG TYR A 86 -2.918 0.069 -1.358 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -2.865 -1.297 -1.113 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -2.852 0.501 -2.679 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -2.750 -2.198 -2.146 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -2.737 -0.398 -3.718 1.00 0.00 C ATOM 1121 CZ TYR A 86 -2.688 -1.746 -3.445 1.00 0.00 C ATOM 1122 OH TYR A 86 -2.572 -2.646 -4.476 1.00 0.00 O ATOM 0 H TYR A 86 -4.172 -0.742 1.731 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.697 1.987 0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.952 2.071 -0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.223 0.915 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.915 -1.657 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.892 1.559 -2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.708 -3.257 -1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.686 -0.047 -4.738 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.514 -3.554 -4.112 1.00 0.00 H new ATOM 1132 N GLU A 87 -5.854 0.985 -1.352 1.00 0.00 N ATOM 1133 CA GLU A 87 -6.876 0.541 -2.304 1.00 0.00 C ATOM 1134 C GLU A 87 -7.186 1.711 -3.237 1.00 0.00 C ATOM 1135 O GLU A 87 -6.564 1.856 -4.288 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.155 0.086 -1.599 1.00 0.00 C ATOM 1137 CG GLU A 87 -8.557 -1.343 -1.926 1.00 0.00 C ATOM 1138 CD GLU A 87 -9.704 -1.412 -2.911 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -10.271 -0.348 -3.253 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -10.047 -2.530 -3.349 1.00 0.00 O ATOM 0 H GLU A 87 -5.470 1.902 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.496 -0.316 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.018 0.178 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.970 0.756 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.698 -1.874 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.840 -1.857 -1.007 1.00 0.00 H new ATOM 1147 N ASP A 88 -8.141 2.546 -2.817 1.00 0.00 N ATOM 1148 CA ASP A 88 -8.397 3.852 -3.436 1.00 0.00 C ATOM 1149 C ASP A 88 -9.601 4.511 -2.781 1.00 0.00 C ATOM 1150 O ASP A 88 -10.680 3.925 -2.721 1.00 0.00 O ATOM 1151 CB ASP A 88 -8.630 3.755 -4.945 1.00 0.00 C ATOM 1152 CG ASP A 88 -8.349 5.072 -5.644 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -8.270 6.117 -4.956 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -8.219 5.071 -6.885 1.00 0.00 O ATOM 0 H ASP A 88 -8.761 2.335 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.503 4.456 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.990 2.978 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.661 3.455 -5.135 1.00 0.00 H new ATOM 1159 N TYR A 89 -9.412 5.730 -2.298 1.00 0.00 N ATOM 1160 CA TYR A 89 -10.453 6.438 -1.560 1.00 0.00 C ATOM 1161 C TYR A 89 -11.181 7.431 -2.457 1.00 0.00 C ATOM 1162 O TYR A 89 -12.370 7.693 -2.272 1.00 0.00 O ATOM 1163 CB TYR A 89 -9.843 7.189 -0.365 1.00 0.00 C ATOM 1164 CG TYR A 89 -10.540 6.934 0.960 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -11.887 7.234 1.130 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -9.850 6.391 2.042 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -12.523 7.000 2.336 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -10.481 6.155 3.247 1.00 0.00 C ATOM 1169 CZ TYR A 89 -11.815 6.461 3.389 1.00 0.00 C ATOM 1170 OH TYR A 89 -12.444 6.223 4.589 1.00 0.00 O ATOM 0 H TYR A 89 -8.543 6.254 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.168 5.697 -1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.795 6.906 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.866 8.259 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.445 7.656 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.802 6.150 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -13.570 7.239 2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.930 5.732 4.074 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.803 5.841 5.224 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.475 7.965 -3.444 1.00 0.00 N ATOM 1181 CA TYR A 90 -10.984 9.104 -4.194 1.00 0.00 C ATOM 1182 C TYR A 90 -11.023 8.836 -5.697 1.00 0.00 C ATOM 1183 O TYR A 90 -12.100 8.777 -6.292 1.00 0.00 O ATOM 1184 CB TYR A 90 -10.121 10.339 -3.912 1.00 0.00 C ATOM 1185 CG TYR A 90 -10.652 11.213 -2.797 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -11.048 10.662 -1.584 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -10.757 12.586 -2.957 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -11.533 11.457 -0.567 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -11.241 13.388 -1.943 1.00 0.00 C ATOM 1190 CZ TYR A 90 -11.627 12.816 -0.751 1.00 0.00 C ATOM 1191 OH TYR A 90 -12.113 13.609 0.259 1.00 0.00 O ATOM 0 H TYR A 90 -9.558 7.632 -3.742 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.008 9.280 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.112 10.015 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.045 10.934 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.975 9.595 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.455 13.036 -3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.838 11.014 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.316 14.456 -2.083 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.113 14.545 -0.031 1.00 0.00 H new ATOM 1201 N THR A 91 -9.839 8.680 -6.296 1.00 0.00 N ATOM 1202 CA THR A 91 -9.695 8.558 -7.749 1.00 0.00 C ATOM 1203 C THR A 91 -10.237 9.798 -8.469 1.00 0.00 C ATOM 1204 O THR A 91 -10.551 9.758 -9.661 1.00 0.00 O ATOM 1205 CB THR A 91 -10.397 7.295 -8.298 1.00 0.00 C ATOM 1206 OG1 THR A 91 -10.510 6.301 -7.269 1.00 0.00 O ATOM 1207 CG2 THR A 91 -9.626 6.715 -9.476 1.00 0.00 C ATOM 0 H THR A 91 -8.955 8.635 -5.789 1.00 0.00 H new ATOM 0 HA THR A 91 -8.627 8.469 -7.946 1.00 0.00 H new ATOM 0 HB THR A 91 -11.392 7.584 -8.635 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.817 5.620 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 91 -10.139 5.827 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 91 -9.566 7.457 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.620 6.445 -9.155 1.00 0.00 H new ATOM 1215 N SER A 92 -10.335 10.903 -7.740 1.00 0.00 N ATOM 1216 CA SER A 92 -10.850 12.142 -8.297 1.00 0.00 C ATOM 1217 C SER A 92 -9.732 13.173 -8.446 1.00 0.00 C ATOM 1218 O SER A 92 -9.022 13.189 -9.455 1.00 0.00 O ATOM 1219 CB SER A 92 -11.960 12.680 -7.395 1.00 0.00 C ATOM 1220 OG SER A 92 -11.817 12.178 -6.076 1.00 0.00 O ATOM 0 H SER A 92 -10.063 10.964 -6.759 1.00 0.00 H new ATOM 0 HA SER A 92 -11.257 11.945 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.929 13.769 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.933 12.394 -7.796 1.00 0.00 H new ATOM 0 HG SER A 92 -12.535 12.534 -5.511 1.00 0.00 H new ATOM 1226 N GLY A 93 -9.574 14.021 -7.437 1.00 0.00 N ATOM 1227 CA GLY A 93 -8.544 15.037 -7.471 1.00 0.00 C ATOM 1228 C GLY A 93 -7.405 14.709 -6.535 1.00 0.00 C ATOM 1229 O GLY A 93 -6.264 14.565 -6.965 1.00 0.00 O ATOM 0 H GLY A 93 -10.145 14.021 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.163 15.135 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.974 16.001 -7.197 1.00 0.00 H new ATOM 1233 N LEU A 94 -7.720 14.583 -5.252 1.00 0.00 N ATOM 1234 CA LEU A 94 -6.729 14.224 -4.247 1.00 0.00 C ATOM 1235 C LEU A 94 -6.378 12.740 -4.344 1.00 0.00 C ATOM 1236 O LEU A 94 -6.953 11.904 -3.642 1.00 0.00 O ATOM 1237 CB LEU A 94 -7.256 14.548 -2.846 1.00 0.00 C ATOM 1238 CG LEU A 94 -6.432 15.569 -2.059 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -6.378 16.897 -2.796 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.011 15.755 -0.664 1.00 0.00 C ATOM 0 H LEU A 94 -8.660 14.725 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.826 14.807 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.276 14.921 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.304 13.623 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.414 15.190 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.787 17.609 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.919 16.752 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.389 17.284 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.414 16.484 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.038 16.111 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.996 14.803 -0.134 1.00 0.00 H new ATOM 1252 N SER A 95 -5.448 12.423 -5.233 1.00 0.00 N ATOM 1253 CA SER A 95 -5.004 11.054 -5.439 1.00 0.00 C ATOM 1254 C SER A 95 -4.111 10.584 -4.296 1.00 0.00 C ATOM 1255 O SER A 95 -3.185 11.281 -3.883 1.00 0.00 O ATOM 1256 CB SER A 95 -4.259 10.959 -6.770 1.00 0.00 C ATOM 1257 OG SER A 95 -4.325 12.193 -7.471 1.00 0.00 O ATOM 0 H SER A 95 -4.982 13.106 -5.830 1.00 0.00 H new ATOM 0 HA SER A 95 -5.878 10.404 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.217 10.692 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.692 10.165 -7.379 1.00 0.00 H new ATOM 0 HG SER A 95 -3.841 12.113 -8.320 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.406 9.401 -3.785 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.606 8.798 -2.730 1.00 0.00 C ATOM 1265 C TRP A 96 -2.576 7.869 -3.355 1.00 0.00 C ATOM 1266 O TRP A 96 -2.845 7.256 -4.386 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.487 7.993 -1.768 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.479 8.797 -0.980 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.427 9.651 -1.467 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.636 8.795 0.443 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.156 10.185 -0.433 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.691 9.673 0.749 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.985 8.136 1.491 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.111 9.905 2.058 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.401 8.367 2.785 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.455 9.246 3.060 1.00 0.00 C ATOM 0 H TRP A 96 -5.199 8.835 -4.086 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.113 9.593 -2.170 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.028 7.240 -2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.841 7.459 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -6.581 9.874 -2.513 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.920 10.854 -0.530 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -4.170 7.457 1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.925 10.581 2.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.905 7.861 3.600 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -6.756 9.407 4.085 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.407 7.763 -2.741 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.349 6.917 -3.271 1.00 0.00 C ATOM 1289 C ILE A 97 0.254 6.003 -2.201 1.00 0.00 C ATOM 1290 O ILE A 97 0.320 6.356 -1.012 1.00 0.00 O ATOM 1291 CB ILE A 97 0.767 7.774 -3.923 1.00 0.00 C ATOM 1292 CG1 ILE A 97 0.929 7.426 -5.392 1.00 0.00 C ATOM 1293 CG2 ILE A 97 2.102 7.581 -3.232 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -0.344 7.519 -6.202 1.00 0.00 C ATOM 0 H ILE A 97 -1.168 8.251 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.805 6.282 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 97 0.460 8.815 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.673 8.091 -5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.322 6.412 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.856 8.199 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.015 7.872 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.396 6.533 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.136 7.254 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.086 6.833 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.729 8.538 -6.158 1.00 0.00 H new ATOM 1306 N TRP A 98 0.687 4.831 -2.657 1.00 0.00 N ATOM 1307 CA TRP A 98 1.404 3.862 -1.836 1.00 0.00 C ATOM 1308 C TRP A 98 2.887 3.900 -2.160 1.00 0.00 C ATOM 1309 O TRP A 98 3.343 3.179 -3.047 1.00 0.00 O ATOM 1310 CB TRP A 98 0.889 2.459 -2.140 1.00 0.00 C ATOM 1311 CG TRP A 98 0.506 1.642 -0.947 1.00 0.00 C ATOM 1312 CD1 TRP A 98 0.360 0.287 -0.922 1.00 0.00 C ATOM 1313 CD2 TRP A 98 0.204 2.105 0.375 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -0.043 -0.121 0.320 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -0.148 0.976 1.133 1.00 0.00 C ATOM 1316 CE3 TRP A 98 0.181 3.358 0.995 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -0.519 1.067 2.462 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.182 3.438 2.322 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -0.535 2.287 3.037 1.00 0.00 C ATOM 0 H TRP A 98 0.548 4.524 -3.620 1.00 0.00 H new ATOM 0 HA TRP A 98 1.245 4.110 -0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.022 2.543 -2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.657 1.921 -2.696 1.00 0.00 H new ATOM 0 HD1 TRP A 98 0.537 -0.369 -1.761 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -0.234 -1.084 0.595 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.443 4.248 0.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -0.789 0.185 3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.194 4.399 2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -0.827 2.378 4.073 1.00 0.00 H new ATOM 1330 N LYS A 99 3.650 4.727 -1.469 1.00 0.00 N ATOM 1331 CA LYS A 99 5.065 4.823 -1.776 1.00 0.00 C ATOM 1332 C LYS A 99 5.878 3.887 -0.898 1.00 0.00 C ATOM 1333 O LYS A 99 6.039 4.111 0.299 1.00 0.00 O ATOM 1334 CB LYS A 99 5.572 6.257 -1.644 1.00 0.00 C ATOM 1335 CG LYS A 99 5.869 6.920 -2.985 1.00 0.00 C ATOM 1336 CD LYS A 99 7.365 7.106 -3.206 1.00 0.00 C ATOM 1337 CE LYS A 99 7.662 8.417 -3.921 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.761 8.280 -4.915 1.00 0.00 N ATOM 0 H LYS A 99 3.325 5.327 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 99 5.193 4.518 -2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.829 6.850 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.477 6.260 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.456 6.313 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.372 7.889 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.881 7.088 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.754 6.274 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.761 8.766 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.931 9.176 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.603 8.943 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.671 8.494 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.778 7.307 -5.282 1.00 0.00 H new ATOM 1352 N ILE A 100 6.354 2.818 -1.505 1.00 0.00 N ATOM 1353 CA ILE A 100 7.292 1.925 -0.857 1.00 0.00 C ATOM 1354 C ILE A 100 8.698 2.373 -1.200 1.00 0.00 C ATOM 1355 O ILE A 100 9.228 2.033 -2.256 1.00 0.00 O ATOM 1356 CB ILE A 100 7.100 0.456 -1.296 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.613 0.102 -1.349 1.00 0.00 C ATOM 1358 CG2 ILE A 100 7.838 -0.480 -0.348 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.332 -1.263 -1.941 1.00 0.00 C ATOM 0 H ILE A 100 6.103 2.546 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 100 7.117 1.968 0.218 1.00 0.00 H new ATOM 0 HB ILE A 100 7.517 0.336 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.203 0.142 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.090 0.857 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.694 -1.511 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.902 -0.242 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.447 -0.357 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.257 -1.443 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.711 -1.302 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.826 -2.028 -1.342 1.00 0.00 H new ATOM 1371 N LYS A 101 9.277 3.187 -0.334 1.00 0.00 N ATOM 1372 CA LYS A 101 10.621 3.679 -0.557 1.00 0.00 C ATOM 1373 C LYS A 101 11.615 2.889 0.274 1.00 0.00 C ATOM 1374 O LYS A 101 11.654 2.999 1.501 1.00 0.00 O ATOM 1375 CB LYS A 101 10.728 5.175 -0.245 1.00 0.00 C ATOM 1376 CG LYS A 101 10.000 5.610 1.014 1.00 0.00 C ATOM 1377 CD LYS A 101 10.516 6.949 1.511 1.00 0.00 C ATOM 1378 CE LYS A 101 11.944 6.843 2.017 1.00 0.00 C ATOM 1379 NZ LYS A 101 12.013 6.994 3.491 1.00 0.00 N ATOM 0 H LYS A 101 8.838 3.518 0.525 1.00 0.00 H new ATOM 0 HA LYS A 101 10.858 3.543 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.781 5.439 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.333 5.739 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.931 5.681 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.129 4.856 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.468 7.680 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.872 7.314 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.362 5.878 1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.557 7.610 1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.972 7.287 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.329 7.715 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.786 6.086 3.944 1.00 0.00 H new ATOM 1393 N ASN A 102 12.398 2.076 -0.402 1.00 0.00 N ATOM 1394 CA ASN A 102 13.413 1.279 0.251 1.00 0.00 C ATOM 1395 C ASN A 102 14.725 2.053 0.262 1.00 0.00 C ATOM 1396 O ASN A 102 15.316 2.318 -0.785 1.00 0.00 O ATOM 1397 CB ASN A 102 13.552 -0.068 -0.456 1.00 0.00 C ATOM 1398 CG ASN A 102 14.714 -0.891 0.068 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.898 -1.039 1.277 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.510 -1.428 -0.844 1.00 0.00 N ATOM 0 H ASN A 102 12.350 1.949 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 102 13.128 1.077 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.628 -0.634 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.685 0.100 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.311 -1.989 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.322 -1.281 -1.836 1.00 0.00 H new ATOM 1407 N ASN A 103 15.149 2.412 1.463 1.00 0.00 N ATOM 1408 CA ASN A 103 16.237 3.364 1.685 1.00 0.00 C ATOM 1409 C ASN A 103 17.535 2.949 1.003 1.00 0.00 C ATOM 1410 O ASN A 103 18.232 3.781 0.421 1.00 0.00 O ATOM 1411 CB ASN A 103 16.486 3.524 3.189 1.00 0.00 C ATOM 1412 CG ASN A 103 15.292 4.109 3.929 1.00 0.00 C ATOM 1413 OD1 ASN A 103 14.588 4.980 3.416 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.063 3.644 5.150 1.00 0.00 N ATOM 0 H ASN A 103 14.745 2.048 2.326 1.00 0.00 H new ATOM 0 HA ASN A 103 15.925 4.310 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.731 2.552 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.352 4.167 3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.283 4.008 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.667 2.922 5.542 1.00 0.00 H new ATOM 1421 N SER A 104 17.872 1.671 1.079 1.00 0.00 N ATOM 1422 CA SER A 104 19.151 1.204 0.570 1.00 0.00 C ATOM 1423 C SER A 104 19.119 -0.293 0.279 1.00 0.00 C ATOM 1424 O SER A 104 18.128 -0.804 -0.245 1.00 0.00 O ATOM 1425 CB SER A 104 20.250 1.515 1.584 1.00 0.00 C ATOM 1426 OG SER A 104 20.494 2.912 1.675 1.00 0.00 O ATOM 0 H SER A 104 17.283 0.944 1.485 1.00 0.00 H new ATOM 0 HA SER A 104 19.357 1.723 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 104 19.963 1.130 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.168 1.002 1.296 1.00 0.00 H new ATOM 0 HG SER A 104 19.834 3.395 1.136 1.00 0.00 H new ATOM 1432 N SER A 105 20.219 -0.978 0.604 1.00 0.00 N ATOM 1433 CA SER A 105 20.320 -2.418 0.451 1.00 0.00 C ATOM 1434 C SER A 105 20.165 -2.828 -1.009 1.00 0.00 C ATOM 1435 O SER A 105 20.400 -2.035 -1.927 1.00 0.00 O ATOM 1436 CB SER A 105 19.272 -3.116 1.327 1.00 0.00 C ATOM 1437 OG SER A 105 19.071 -2.407 2.540 1.00 0.00 O ATOM 0 H SER A 105 21.061 -0.542 0.980 1.00 0.00 H new ATOM 0 HA SER A 105 21.312 -2.729 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.330 -3.190 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.595 -4.134 1.545 1.00 0.00 H new ATOM 0 HG SER A 105 18.242 -2.713 2.964 1.00 0.00 H new ATOM 1443 N GLU A 106 19.801 -4.072 -1.207 1.00 0.00 N ATOM 1444 CA GLU A 106 19.556 -4.608 -2.524 1.00 0.00 C ATOM 1445 C GLU A 106 18.107 -5.055 -2.605 1.00 0.00 C ATOM 1446 O GLU A 106 17.345 -4.804 -1.672 1.00 0.00 O ATOM 1447 CB GLU A 106 20.514 -5.761 -2.800 1.00 0.00 C ATOM 1448 CG GLU A 106 21.423 -5.533 -4.003 1.00 0.00 C ATOM 1449 CD GLU A 106 20.833 -4.586 -5.033 1.00 0.00 C ATOM 1450 OE1 GLU A 106 19.829 -4.954 -5.677 1.00 0.00 O ATOM 1451 OE2 GLU A 106 21.375 -3.470 -5.208 1.00 0.00 O ATOM 0 H GLU A 106 19.666 -4.746 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 106 19.731 -3.847 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.131 -5.928 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.936 -6.671 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.377 -5.134 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.631 -6.491 -4.479 1.00 0.00 H new ATOM 1458 N THR A 107 17.728 -5.673 -3.718 1.00 0.00 N ATOM 1459 CA THR A 107 16.356 -6.125 -3.939 1.00 0.00 C ATOM 1460 C THR A 107 15.776 -6.848 -2.721 1.00 0.00 C ATOM 1461 O THR A 107 16.058 -8.026 -2.480 1.00 0.00 O ATOM 1462 CB THR A 107 16.300 -7.059 -5.153 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.554 -7.014 -5.842 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.179 -6.659 -6.100 1.00 0.00 C ATOM 0 H THR A 107 18.361 -5.875 -4.492 1.00 0.00 H new ATOM 0 HA THR A 107 15.753 -5.235 -4.118 1.00 0.00 H new ATOM 0 HB THR A 107 16.103 -8.072 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.522 -7.611 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.163 -7.339 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.224 -6.711 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.345 -5.641 -6.451 1.00 0.00 H new ATOM 1472 N SER A 108 14.965 -6.128 -1.960 1.00 0.00 N ATOM 1473 CA SER A 108 14.358 -6.664 -0.759 1.00 0.00 C ATOM 1474 C SER A 108 12.931 -7.112 -1.035 1.00 0.00 C ATOM 1475 O SER A 108 12.210 -6.486 -1.812 1.00 0.00 O ATOM 1476 CB SER A 108 14.369 -5.614 0.355 1.00 0.00 C ATOM 1477 OG SER A 108 15.602 -4.919 0.395 1.00 0.00 O ATOM 0 H SER A 108 14.712 -5.160 -2.160 1.00 0.00 H new ATOM 0 HA SER A 108 14.939 -7.528 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.555 -4.906 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.190 -6.098 1.315 1.00 0.00 H new ATOM 0 HG SER A 108 16.119 -5.122 -0.413 1.00 0.00 H new ATOM 1483 N ASN A 109 12.536 -8.208 -0.418 1.00 0.00 N ATOM 1484 CA ASN A 109 11.171 -8.688 -0.537 1.00 0.00 C ATOM 1485 C ASN A 109 10.288 -7.999 0.494 1.00 0.00 C ATOM 1486 O ASN A 109 10.624 -7.948 1.681 1.00 0.00 O ATOM 1487 CB ASN A 109 11.113 -10.208 -0.350 1.00 0.00 C ATOM 1488 CG ASN A 109 9.758 -10.794 -0.712 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.476 -11.054 -1.883 1.00 0.00 O ATOM 1490 ND2 ASN A 109 8.918 -11.022 0.289 1.00 0.00 N ATOM 0 H ASN A 109 13.139 -8.783 0.170 1.00 0.00 H new ATOM 0 HA ASN A 109 10.806 -8.451 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.882 -10.675 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.344 -10.451 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.001 -11.427 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.190 -10.793 1.245 1.00 0.00 H new ATOM 1497 N TYR A 110 9.180 -7.446 0.039 1.00 0.00 N ATOM 1498 CA TYR A 110 8.216 -6.839 0.935 1.00 0.00 C ATOM 1499 C TYR A 110 6.941 -7.666 0.936 1.00 0.00 C ATOM 1500 O TYR A 110 6.613 -8.301 -0.062 1.00 0.00 O ATOM 1501 CB TYR A 110 7.925 -5.376 0.551 1.00 0.00 C ATOM 1502 CG TYR A 110 7.317 -5.172 -0.827 1.00 0.00 C ATOM 1503 CD1 TYR A 110 5.961 -5.381 -1.046 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.095 -4.755 -1.905 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.398 -5.185 -2.291 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.536 -4.558 -3.154 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.187 -4.775 -3.340 1.00 0.00 C ATOM 1508 OH TYR A 110 5.624 -4.581 -4.580 1.00 0.00 O ATOM 0 H TYR A 110 8.925 -7.405 -0.948 1.00 0.00 H new ATOM 0 HA TYR A 110 8.637 -6.824 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.250 -4.951 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.856 -4.812 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.336 -5.703 -0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.152 -4.583 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.342 -5.353 -2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.153 -4.236 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 110 6.315 -4.291 -5.211 1.00 0.00 H new ATOM 1518 N SER A 111 6.248 -7.692 2.055 1.00 0.00 N ATOM 1519 CA SER A 111 4.984 -8.404 2.138 1.00 0.00 C ATOM 1520 C SER A 111 3.881 -7.461 2.600 1.00 0.00 C ATOM 1521 O SER A 111 3.693 -7.250 3.793 1.00 0.00 O ATOM 1522 CB SER A 111 5.107 -9.595 3.091 1.00 0.00 C ATOM 1523 OG SER A 111 6.464 -9.820 3.449 1.00 0.00 O ATOM 0 H SER A 111 6.535 -7.231 2.919 1.00 0.00 H new ATOM 0 HA SER A 111 4.727 -8.781 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.516 -9.411 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.699 -10.488 2.618 1.00 0.00 H new ATOM 0 HG SER A 111 6.519 -10.585 4.060 1.00 0.00 H new ATOM 1529 N LEU A 112 3.184 -6.861 1.649 1.00 0.00 N ATOM 1530 CA LEU A 112 2.104 -5.945 1.968 1.00 0.00 C ATOM 1531 C LEU A 112 0.790 -6.707 2.076 1.00 0.00 C ATOM 1532 O LEU A 112 0.161 -7.021 1.064 1.00 0.00 O ATOM 1533 CB LEU A 112 2.005 -4.861 0.888 1.00 0.00 C ATOM 1534 CG LEU A 112 1.366 -3.531 1.315 1.00 0.00 C ATOM 1535 CD1 LEU A 112 -0.067 -3.446 0.815 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.410 -3.349 2.825 1.00 0.00 C ATOM 0 H LEU A 112 3.347 -6.992 0.651 1.00 0.00 H new ATOM 0 HA LEU A 112 2.310 -5.468 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.009 -4.655 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.433 -5.263 0.052 1.00 0.00 H new ATOM 0 HG LEU A 112 1.947 -2.726 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.505 -2.498 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.077 -3.511 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.648 -4.268 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.949 -2.397 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.866 -4.162 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.446 -3.357 3.162 1.00 0.00 H new ATOM 1548 N ASP A 113 0.388 -7.008 3.298 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.841 -7.752 3.534 1.00 0.00 C ATOM 1550 C ASP A 113 -2.026 -6.798 3.615 1.00 0.00 C ATOM 1551 O ASP A 113 -2.326 -6.250 4.681 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.749 -8.572 4.831 1.00 0.00 C ATOM 1553 CG ASP A 113 0.485 -9.458 4.918 1.00 0.00 C ATOM 1554 OD1 ASP A 113 1.085 -9.781 3.868 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.857 -9.845 6.046 1.00 0.00 O ATOM 0 H ASP A 113 0.894 -6.749 4.145 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.984 -8.438 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.754 -7.890 5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.638 -9.196 4.918 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.689 -6.586 2.485 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.832 -5.685 2.429 1.00 0.00 C ATOM 1562 C ALA A 114 -5.093 -6.426 1.989 1.00 0.00 C ATOM 1563 O ALA A 114 -5.057 -7.253 1.080 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.548 -4.516 1.491 1.00 0.00 C ATOM 0 H ALA A 114 -2.454 -7.026 1.595 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.001 -5.293 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.413 -3.854 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.680 -3.963 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.347 -4.894 0.489 1.00 0.00 H new ATOM 1570 N THR A 115 -6.205 -6.134 2.646 1.00 0.00 N ATOM 1571 CA THR A 115 -7.486 -6.716 2.275 1.00 0.00 C ATOM 1572 C THR A 115 -8.206 -5.832 1.258 1.00 0.00 C ATOM 1573 O THR A 115 -8.985 -4.954 1.629 1.00 0.00 O ATOM 1574 CB THR A 115 -8.385 -6.895 3.513 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.885 -6.106 4.607 1.00 0.00 O ATOM 1576 CG2 THR A 115 -8.446 -8.357 3.927 1.00 0.00 C ATOM 0 H THR A 115 -6.246 -5.496 3.441 1.00 0.00 H new ATOM 0 HA THR A 115 -7.289 -7.691 1.830 1.00 0.00 H new ATOM 0 HB THR A 115 -9.390 -6.560 3.255 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.464 -6.226 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.086 -8.461 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.853 -8.950 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.443 -8.709 4.167 1.00 0.00 H new