USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 52 ASN : amide:sc= -5.67! C(o=-9!,f=-21!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -166:sc= -1.5! (180deg=-2.62!) USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= -1.81! USER MOD Set 2.1: A 31 THR OG1 : rot 147:sc= -1.51 USER MOD Set 2.2: A 62 ASN : amide:sc= -8.4! C(o=-12!,f=-19!) USER MOD Set 2.3: A 63 LYS NZ :NH3+ -130:sc= -2.39! (180deg=-5.73!) USER MOD Single : A 7 SER OG : rot 32:sc= 0.482 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -121:sc= -3.09! USER MOD Single : A 17 GLN : amide:sc= -9.68! C(o=-9.7!,f=-7.6!) USER MOD Single : A 22 LYS NZ :NH3+ -140:sc= 0.298 (180deg=-0.0328) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= -0.213 (180deg=-0.467) USER MOD Single : A 26 GLN : amide:sc= -0.774 K(o=-0.77,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= -0.265 (180deg=-1.62!) USER MOD Single : A 32 ASN : amide:sc= -4.27! C(o=-4.3!,f=-2.9!) USER MOD Single : A 34 THR OG1 : rot -54:sc= 0.268 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.99 (180deg=-1.47) USER MOD Single : A 42 GLN : amide:sc= -29.3! C(o=-29!,f=-23!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 102:sc= 0.468 USER MOD Single : A 53 TYR OH : rot -32:sc= -1.81! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 66 HIS : no HD1:sc= -10.6! C(o=-11!,f=-21!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 74:sc= 0.124 USER MOD Single : A 76 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.94) USER MOD Single : A 77 ASN : amide:sc= -4.27! C(o=-4.3!,f=-2.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.722 K(o=-0.72,f=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.89! C(o=-4.9!,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.814 -5.559 -8.564 1.00 0.00 N ATOM 87 CA SER A 7 -16.663 -6.659 -8.033 1.00 0.00 C ATOM 88 C SER A 7 -16.111 -7.090 -6.669 1.00 0.00 C ATOM 89 O SER A 7 -16.606 -6.677 -5.639 1.00 0.00 O ATOM 90 CB SER A 7 -16.666 -7.840 -9.010 1.00 0.00 C ATOM 91 OG SER A 7 -16.696 -7.345 -10.342 1.00 0.00 O ATOM 0 HA SER A 7 -17.690 -6.314 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.779 -8.455 -8.858 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.531 -8.477 -8.827 1.00 0.00 H new ATOM 0 HG SER A 7 -16.221 -6.489 -10.384 1.00 0.00 H new ATOM 97 N GLU A 8 -15.086 -7.904 -6.642 1.00 0.00 N ATOM 98 CA GLU A 8 -14.519 -8.330 -5.337 1.00 0.00 C ATOM 99 C GLU A 8 -13.240 -7.544 -5.045 1.00 0.00 C ATOM 100 O GLU A 8 -12.151 -8.001 -5.321 1.00 0.00 O ATOM 101 CB GLU A 8 -14.211 -9.836 -5.345 1.00 0.00 C ATOM 102 CG GLU A 8 -15.237 -10.586 -6.203 1.00 0.00 C ATOM 103 CD GLU A 8 -16.464 -10.919 -5.353 1.00 0.00 C ATOM 104 OE1 GLU A 8 -16.336 -10.926 -4.140 1.00 0.00 O ATOM 105 OE2 GLU A 8 -17.511 -11.167 -5.930 1.00 0.00 O ATOM 0 H GLU A 8 -14.623 -8.288 -7.466 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.255 -8.129 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.207 -10.006 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.227 -10.223 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.528 -9.976 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.797 -11.501 -6.600 1.00 0.00 H new ATOM 112 N ALA A 9 -13.346 -6.364 -4.495 1.00 0.00 N ATOM 113 CA ALA A 9 -12.105 -5.597 -4.210 1.00 0.00 C ATOM 114 C ALA A 9 -12.424 -4.239 -3.572 1.00 0.00 C ATOM 115 O ALA A 9 -13.201 -3.463 -4.091 1.00 0.00 O ATOM 116 CB ALA A 9 -11.362 -5.384 -5.528 1.00 0.00 C ATOM 0 H ALA A 9 -14.221 -5.907 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.491 -6.158 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.446 -4.822 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.112 -6.351 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.996 -4.827 -6.217 1.00 0.00 H new ATOM 122 N LYS A 10 -11.788 -3.933 -2.467 1.00 0.00 N ATOM 123 CA LYS A 10 -12.004 -2.612 -1.813 1.00 0.00 C ATOM 124 C LYS A 10 -10.807 -1.714 -2.150 1.00 0.00 C ATOM 125 O LYS A 10 -9.730 -2.203 -2.420 1.00 0.00 O ATOM 126 CB LYS A 10 -12.117 -2.793 -0.298 1.00 0.00 C ATOM 127 CG LYS A 10 -13.580 -2.649 0.128 1.00 0.00 C ATOM 128 CD LYS A 10 -14.038 -3.930 0.830 1.00 0.00 C ATOM 129 CE LYS A 10 -14.391 -4.991 -0.214 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.863 -5.233 -0.200 1.00 0.00 N ATOM 0 H LYS A 10 -11.127 -4.546 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.927 -2.157 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.738 -3.774 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.504 -2.051 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.692 -1.796 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.206 -2.456 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.249 -4.299 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.904 -3.722 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.075 -4.661 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.857 -5.917 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.103 -5.954 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.151 -5.565 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.362 -4.348 -0.423 1.00 0.00 H new ATOM 144 N PRO A 11 -11.034 -0.427 -2.167 1.00 0.00 N ATOM 145 CA PRO A 11 -9.988 0.552 -2.526 1.00 0.00 C ATOM 146 C PRO A 11 -8.936 0.710 -1.425 1.00 0.00 C ATOM 147 O PRO A 11 -9.227 1.115 -0.317 1.00 0.00 O ATOM 148 CB PRO A 11 -10.770 1.847 -2.749 1.00 0.00 C ATOM 149 CG PRO A 11 -12.105 1.688 -1.985 1.00 0.00 C ATOM 150 CD PRO A 11 -12.336 0.173 -1.820 1.00 0.00 C ATOM 0 HA PRO A 11 -9.417 0.244 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.211 2.707 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.948 2.015 -3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.058 2.181 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.925 2.148 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.632 -0.077 -0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.128 -0.184 -2.478 1.00 0.00 H new ATOM 158 N ALA A 12 -7.707 0.399 -1.757 1.00 0.00 N ATOM 159 CA ALA A 12 -6.571 0.520 -0.795 1.00 0.00 C ATOM 160 C ALA A 12 -7.033 0.311 0.650 1.00 0.00 C ATOM 161 O ALA A 12 -7.011 1.230 1.447 1.00 0.00 O ATOM 162 CB ALA A 12 -5.949 1.904 -0.911 1.00 0.00 C ATOM 0 H ALA A 12 -7.439 0.057 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.842 -0.251 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.120 1.991 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.581 2.054 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.699 2.661 -0.682 1.00 0.00 H new ATOM 168 N THR A 13 -7.433 -0.878 1.009 1.00 0.00 N ATOM 169 CA THR A 13 -7.870 -1.116 2.418 1.00 0.00 C ATOM 170 C THR A 13 -6.871 -0.448 3.360 1.00 0.00 C ATOM 171 O THR A 13 -5.784 -0.093 2.950 1.00 0.00 O ATOM 172 CB THR A 13 -7.891 -2.621 2.703 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.460 -3.329 1.553 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.308 -3.053 3.081 1.00 0.00 C ATOM 0 H THR A 13 -7.477 -1.691 0.394 1.00 0.00 H new ATOM 0 HA THR A 13 -8.868 -0.704 2.568 1.00 0.00 H new ATOM 0 HB THR A 13 -7.218 -2.842 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.166 -3.944 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.320 -4.124 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.628 -2.512 3.972 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.988 -2.831 2.258 1.00 0.00 H new ATOM 182 N PRO A 14 -7.246 -0.325 4.604 1.00 0.00 N ATOM 183 CA PRO A 14 -6.366 0.261 5.624 1.00 0.00 C ATOM 184 C PRO A 14 -5.288 -0.771 5.960 1.00 0.00 C ATOM 185 O PRO A 14 -4.338 -0.508 6.672 1.00 0.00 O ATOM 186 CB PRO A 14 -7.304 0.520 6.806 1.00 0.00 C ATOM 187 CG PRO A 14 -8.517 -0.422 6.609 1.00 0.00 C ATOM 188 CD PRO A 14 -8.559 -0.767 5.107 1.00 0.00 C ATOM 0 HA PRO A 14 -5.854 1.175 5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.803 0.317 7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.621 1.563 6.830 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.411 -1.324 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.441 0.064 6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.709 -1.835 4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.375 -0.251 4.601 1.00 0.00 H new ATOM 196 N GLU A 15 -5.447 -1.950 5.419 1.00 0.00 N ATOM 197 CA GLU A 15 -4.482 -3.051 5.636 1.00 0.00 C ATOM 198 C GLU A 15 -3.540 -3.109 4.438 1.00 0.00 C ATOM 199 O GLU A 15 -2.336 -2.996 4.562 1.00 0.00 O ATOM 200 CB GLU A 15 -5.275 -4.352 5.704 1.00 0.00 C ATOM 201 CG GLU A 15 -4.327 -5.549 5.610 1.00 0.00 C ATOM 202 CD GLU A 15 -4.732 -6.604 6.644 1.00 0.00 C ATOM 203 OE1 GLU A 15 -5.260 -6.221 7.676 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.508 -7.776 6.387 1.00 0.00 O ATOM 0 H GLU A 15 -6.233 -2.196 4.818 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.910 -2.899 6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.838 -4.396 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.001 -4.388 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.361 -5.975 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.300 -5.228 5.785 1.00 0.00 H new ATOM 211 N ILE A 16 -4.097 -3.289 3.274 1.00 0.00 N ATOM 212 CA ILE A 16 -3.266 -3.356 2.036 1.00 0.00 C ATOM 213 C ILE A 16 -2.431 -2.088 1.919 1.00 0.00 C ATOM 214 O ILE A 16 -1.255 -2.134 1.633 1.00 0.00 O ATOM 215 CB ILE A 16 -4.175 -3.464 0.813 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.076 -4.689 0.968 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.317 -3.623 -0.445 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.236 -5.959 0.820 1.00 0.00 C ATOM 0 H ILE A 16 -5.100 -3.394 3.124 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.614 -4.228 2.088 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.785 -2.565 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.564 -4.674 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.865 -4.672 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.964 -3.700 -1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.664 -2.757 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.711 -4.525 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.877 -6.834 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.768 -5.973 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.463 -5.976 1.589 1.00 0.00 H new ATOM 230 N GLN A 17 -3.029 -0.957 2.134 1.00 0.00 N ATOM 231 CA GLN A 17 -2.263 0.309 2.030 1.00 0.00 C ATOM 232 C GLN A 17 -1.099 0.266 3.023 1.00 0.00 C ATOM 233 O GLN A 17 -0.067 0.870 2.811 1.00 0.00 O ATOM 234 CB GLN A 17 -3.200 1.488 2.324 1.00 0.00 C ATOM 235 CG GLN A 17 -3.326 1.724 3.832 1.00 0.00 C ATOM 236 CD GLN A 17 -4.017 3.068 4.071 1.00 0.00 C ATOM 237 OE1 GLN A 17 -3.959 3.609 5.158 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.677 3.633 3.094 1.00 0.00 N ATOM 0 H GLN A 17 -4.014 -0.853 2.377 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.859 0.434 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.820 2.389 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.184 1.290 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.899 0.919 4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.340 1.720 4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.726 3.179 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.143 4.528 3.244 1.00 0.00 H new ATOM 247 N GLU A 18 -1.253 -0.459 4.100 1.00 0.00 N ATOM 248 CA GLU A 18 -0.148 -0.555 5.093 1.00 0.00 C ATOM 249 C GLU A 18 1.025 -1.299 4.451 1.00 0.00 C ATOM 250 O GLU A 18 2.175 -1.016 4.723 1.00 0.00 O ATOM 251 CB GLU A 18 -0.629 -1.316 6.328 1.00 0.00 C ATOM 252 CG GLU A 18 -0.061 -0.655 7.586 1.00 0.00 C ATOM 253 CD GLU A 18 1.121 -1.475 8.104 1.00 0.00 C ATOM 254 OE1 GLU A 18 2.128 -1.528 7.415 1.00 0.00 O ATOM 255 OE2 GLU A 18 1.001 -2.037 9.180 1.00 0.00 O ATOM 0 H GLU A 18 -2.094 -0.987 4.333 1.00 0.00 H new ATOM 0 HA GLU A 18 0.167 0.444 5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.718 -1.319 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.309 -2.357 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.259 0.363 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.833 -0.585 8.353 1.00 0.00 H new ATOM 262 N ILE A 19 0.741 -2.239 3.588 1.00 0.00 N ATOM 263 CA ILE A 19 1.839 -2.984 2.908 1.00 0.00 C ATOM 264 C ILE A 19 2.594 -2.004 2.015 1.00 0.00 C ATOM 265 O ILE A 19 3.799 -2.062 1.871 1.00 0.00 O ATOM 266 CB ILE A 19 1.245 -4.120 2.056 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.269 -5.253 1.953 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.902 -3.623 0.642 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.590 -4.696 1.417 1.00 0.00 C ATOM 0 H ILE A 19 -0.203 -2.522 3.325 1.00 0.00 H new ATOM 0 HA ILE A 19 2.515 -3.419 3.644 1.00 0.00 H new ATOM 0 HB ILE A 19 0.330 -4.473 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.424 -5.708 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.897 -6.036 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.484 -4.444 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.172 -2.816 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.806 -3.257 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.321 -5.501 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.428 -4.261 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.963 -3.929 2.095 1.00 0.00 H new ATOM 281 N VAL A 20 1.874 -1.100 1.417 1.00 0.00 N ATOM 282 CA VAL A 20 2.511 -0.099 0.529 1.00 0.00 C ATOM 283 C VAL A 20 3.504 0.717 1.359 1.00 0.00 C ATOM 284 O VAL A 20 4.358 1.387 0.833 1.00 0.00 O ATOM 285 CB VAL A 20 1.412 0.797 -0.062 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.962 2.185 -0.421 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.858 0.135 -1.325 1.00 0.00 C ATOM 0 H VAL A 20 0.862 -1.013 1.508 1.00 0.00 H new ATOM 0 HA VAL A 20 3.048 -0.577 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 20 0.626 0.921 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.162 2.797 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.356 2.663 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.759 2.081 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.077 0.763 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.661 0.009 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.441 -0.840 -1.072 1.00 0.00 H new ATOM 297 N ASP A 21 3.401 0.650 2.656 1.00 0.00 N ATOM 298 CA ASP A 21 4.349 1.408 3.525 1.00 0.00 C ATOM 299 C ASP A 21 5.424 0.457 4.064 1.00 0.00 C ATOM 300 O ASP A 21 6.472 0.881 4.510 1.00 0.00 O ATOM 301 CB ASP A 21 3.582 2.028 4.694 1.00 0.00 C ATOM 302 CG ASP A 21 4.473 3.045 5.409 1.00 0.00 C ATOM 303 OD1 ASP A 21 5.384 3.552 4.777 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.230 3.298 6.578 1.00 0.00 O ATOM 0 H ASP A 21 2.700 0.102 3.155 1.00 0.00 H new ATOM 0 HA ASP A 21 4.824 2.197 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.676 2.514 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.269 1.250 5.390 1.00 0.00 H new ATOM 309 N LYS A 22 5.171 -0.825 4.037 1.00 0.00 N ATOM 310 CA LYS A 22 6.176 -1.798 4.560 1.00 0.00 C ATOM 311 C LYS A 22 7.202 -2.132 3.471 1.00 0.00 C ATOM 312 O LYS A 22 8.342 -1.717 3.536 1.00 0.00 O ATOM 313 CB LYS A 22 5.467 -3.080 5.002 1.00 0.00 C ATOM 314 CG LYS A 22 5.853 -3.398 6.448 1.00 0.00 C ATOM 315 CD LYS A 22 5.333 -2.293 7.367 1.00 0.00 C ATOM 316 CE LYS A 22 5.330 -2.790 8.813 1.00 0.00 C ATOM 317 NZ LYS A 22 3.944 -3.175 9.202 1.00 0.00 N ATOM 0 H LYS A 22 4.312 -1.241 3.676 1.00 0.00 H new ATOM 0 HA LYS A 22 6.691 -1.352 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.387 -2.959 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.745 -3.907 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.435 -4.360 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.936 -3.481 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.960 -1.406 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.326 -2.002 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.999 -3.644 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.703 -2.011 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.759 -2.868 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.264 -2.719 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.840 -4.208 9.139 1.00 0.00 H new ATOM 331 N VAL A 23 6.810 -2.883 2.476 1.00 0.00 N ATOM 332 CA VAL A 23 7.759 -3.243 1.388 1.00 0.00 C ATOM 333 C VAL A 23 7.853 -2.087 0.392 1.00 0.00 C ATOM 334 O VAL A 23 8.633 -2.117 -0.538 1.00 0.00 O ATOM 335 CB VAL A 23 7.240 -4.483 0.668 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.361 -5.095 -0.165 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.758 -5.499 1.701 1.00 0.00 C ATOM 0 H VAL A 23 5.869 -3.263 2.372 1.00 0.00 H new ATOM 0 HA VAL A 23 8.744 -3.442 1.810 1.00 0.00 H new ATOM 0 HB VAL A 23 6.414 -4.207 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.990 -5.981 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.707 -4.368 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.188 -5.374 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.386 -6.388 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.586 -5.775 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.957 -5.060 2.297 1.00 0.00 H new ATOM 347 N LYS A 24 7.058 -1.073 0.580 1.00 0.00 N ATOM 348 CA LYS A 24 7.088 0.083 -0.351 1.00 0.00 C ATOM 349 C LYS A 24 7.135 1.385 0.461 1.00 0.00 C ATOM 350 O LYS A 24 6.327 2.265 0.260 1.00 0.00 O ATOM 351 CB LYS A 24 5.820 0.050 -1.204 1.00 0.00 C ATOM 352 CG LYS A 24 5.860 -1.172 -2.124 1.00 0.00 C ATOM 353 CD LYS A 24 4.940 -2.261 -1.569 1.00 0.00 C ATOM 354 CE LYS A 24 3.797 -2.508 -2.555 1.00 0.00 C ATOM 355 NZ LYS A 24 3.876 -3.903 -3.069 1.00 0.00 N ATOM 0 H LYS A 24 6.386 -0.996 1.343 1.00 0.00 H new ATOM 0 HA LYS A 24 7.967 0.032 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.939 0.009 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.742 0.962 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.545 -0.893 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.880 -1.548 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.502 -3.181 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.541 -1.958 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.838 -2.344 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.857 -1.801 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.936 -4.208 -3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.545 -3.943 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.203 -4.535 -2.310 1.00 0.00 H new ATOM 369 N PRO A 25 8.084 1.469 1.361 1.00 0.00 N ATOM 370 CA PRO A 25 8.244 2.648 2.231 1.00 0.00 C ATOM 371 C PRO A 25 8.804 3.833 1.449 1.00 0.00 C ATOM 372 O PRO A 25 9.057 4.887 1.998 1.00 0.00 O ATOM 373 CB PRO A 25 9.218 2.175 3.308 1.00 0.00 C ATOM 374 CG PRO A 25 9.989 0.980 2.701 1.00 0.00 C ATOM 375 CD PRO A 25 9.099 0.415 1.579 1.00 0.00 C ATOM 0 HA PRO A 25 7.301 2.999 2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.902 2.975 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.685 1.876 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.954 1.300 2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.189 0.221 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.674 0.221 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.638 -0.528 1.872 1.00 0.00 H new ATOM 383 N GLN A 26 8.962 3.685 0.167 1.00 0.00 N ATOM 384 CA GLN A 26 9.456 4.809 -0.650 1.00 0.00 C ATOM 385 C GLN A 26 8.397 5.050 -1.698 1.00 0.00 C ATOM 386 O GLN A 26 7.953 6.146 -1.910 1.00 0.00 O ATOM 387 CB GLN A 26 10.780 4.435 -1.320 1.00 0.00 C ATOM 388 CG GLN A 26 11.698 3.760 -0.300 1.00 0.00 C ATOM 389 CD GLN A 26 13.026 3.396 -0.968 1.00 0.00 C ATOM 390 OE1 GLN A 26 14.069 3.464 -0.349 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.030 3.011 -2.215 1.00 0.00 N ATOM 0 H GLN A 26 8.768 2.826 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 26 9.636 5.697 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.598 3.765 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.260 5.327 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.874 4.427 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.221 2.864 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.154 2.954 -2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.909 2.767 -2.671 1.00 0.00 H new ATOM 400 N LEU A 27 7.959 4.002 -2.314 1.00 0.00 N ATOM 401 CA LEU A 27 6.899 4.107 -3.335 1.00 0.00 C ATOM 402 C LEU A 27 5.624 4.669 -2.689 1.00 0.00 C ATOM 403 O LEU A 27 4.704 5.096 -3.359 1.00 0.00 O ATOM 404 CB LEU A 27 6.648 2.700 -3.863 1.00 0.00 C ATOM 405 CG LEU A 27 7.986 2.041 -4.230 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.900 0.532 -4.014 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.304 2.340 -5.693 1.00 0.00 C ATOM 0 H LEU A 27 8.299 3.055 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 27 7.192 4.773 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.132 2.105 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.999 2.739 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 27 8.777 2.441 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.853 0.072 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.674 0.327 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.112 0.119 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.253 1.875 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.512 1.940 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.374 3.418 -5.837 1.00 0.00 H new ATOM 419 N GLU A 28 5.572 4.656 -1.385 1.00 0.00 N ATOM 420 CA GLU A 28 4.371 5.168 -0.651 1.00 0.00 C ATOM 421 C GLU A 28 4.553 6.635 -0.246 1.00 0.00 C ATOM 422 O GLU A 28 3.613 7.292 0.156 1.00 0.00 O ATOM 423 CB GLU A 28 4.154 4.328 0.608 1.00 0.00 C ATOM 424 CG GLU A 28 3.043 4.952 1.455 1.00 0.00 C ATOM 425 CD GLU A 28 3.654 5.661 2.664 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.436 6.576 2.458 1.00 0.00 O ATOM 427 OE2 GLU A 28 3.329 5.280 3.776 1.00 0.00 O ATOM 0 H GLU A 28 6.320 4.308 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 28 3.508 5.095 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.887 3.307 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.077 4.273 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.471 5.661 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.348 4.180 1.786 1.00 0.00 H new ATOM 434 N GLU A 29 5.744 7.161 -0.332 1.00 0.00 N ATOM 435 CA GLU A 29 5.952 8.582 0.067 1.00 0.00 C ATOM 436 C GLU A 29 6.879 9.227 -0.948 1.00 0.00 C ATOM 437 O GLU A 29 7.470 10.264 -0.715 1.00 0.00 O ATOM 438 CB GLU A 29 6.589 8.637 1.457 1.00 0.00 C ATOM 439 CG GLU A 29 8.016 8.090 1.385 1.00 0.00 C ATOM 440 CD GLU A 29 9.000 9.156 1.872 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.645 10.322 1.832 1.00 0.00 O ATOM 442 OE2 GLU A 29 10.090 8.788 2.277 1.00 0.00 O ATOM 0 H GLU A 29 6.577 6.672 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 29 4.999 9.111 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.599 9.663 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.999 8.052 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.104 7.193 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.254 7.801 0.361 1.00 0.00 H new ATOM 449 N LYS A 30 7.008 8.598 -2.072 1.00 0.00 N ATOM 450 CA LYS A 30 7.885 9.110 -3.139 1.00 0.00 C ATOM 451 C LYS A 30 7.056 9.969 -4.066 1.00 0.00 C ATOM 452 O LYS A 30 7.237 11.168 -4.149 1.00 0.00 O ATOM 453 CB LYS A 30 8.428 7.903 -3.881 1.00 0.00 C ATOM 454 CG LYS A 30 9.798 8.223 -4.477 1.00 0.00 C ATOM 455 CD LYS A 30 9.624 8.749 -5.902 1.00 0.00 C ATOM 456 CE LYS A 30 10.142 7.707 -6.895 1.00 0.00 C ATOM 457 NZ LYS A 30 11.556 7.369 -6.566 1.00 0.00 N ATOM 0 H LYS A 30 6.528 7.727 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 30 8.705 9.710 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.508 7.055 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.738 7.613 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.309 8.965 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.422 7.329 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.573 8.962 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.167 9.686 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.523 6.811 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.076 8.094 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.083 7.186 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.994 8.164 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.579 6.520 -5.965 1.00 0.00 H new ATOM 471 N THR A 31 6.127 9.367 -4.744 1.00 0.00 N ATOM 472 CA THR A 31 5.250 10.151 -5.646 1.00 0.00 C ATOM 473 C THR A 31 4.821 11.411 -4.894 1.00 0.00 C ATOM 474 O THR A 31 4.594 12.453 -5.475 1.00 0.00 O ATOM 475 CB THR A 31 4.037 9.290 -6.011 1.00 0.00 C ATOM 476 OG1 THR A 31 3.518 9.713 -7.264 1.00 0.00 O ATOM 477 CG2 THR A 31 2.947 9.404 -4.940 1.00 0.00 C ATOM 0 H THR A 31 5.937 8.365 -4.713 1.00 0.00 H new ATOM 0 HA THR A 31 5.763 10.435 -6.565 1.00 0.00 H new ATOM 0 HB THR A 31 4.354 8.249 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.148 8.942 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.095 8.784 -5.220 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.342 9.066 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.628 10.443 -4.855 1.00 0.00 H new ATOM 485 N ASN A 32 4.748 11.305 -3.590 1.00 0.00 N ATOM 486 CA ASN A 32 4.373 12.467 -2.741 1.00 0.00 C ATOM 487 C ASN A 32 3.333 13.324 -3.467 1.00 0.00 C ATOM 488 O ASN A 32 3.357 14.538 -3.413 1.00 0.00 O ATOM 489 CB ASN A 32 5.647 13.273 -2.431 1.00 0.00 C ATOM 490 CG ASN A 32 5.898 14.324 -3.521 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.675 15.499 -3.309 1.00 0.00 O ATOM 492 ND2 ASN A 32 6.349 13.947 -4.685 1.00 0.00 N ATOM 0 H ASN A 32 4.937 10.446 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 32 3.928 12.131 -1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.548 13.762 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.502 12.600 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.514 14.639 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.537 12.961 -4.864 1.00 0.00 H new ATOM 499 N GLU A 33 2.420 12.694 -4.150 1.00 0.00 N ATOM 500 CA GLU A 33 1.378 13.458 -4.889 1.00 0.00 C ATOM 501 C GLU A 33 0.504 14.223 -3.895 1.00 0.00 C ATOM 502 O GLU A 33 0.369 13.840 -2.749 1.00 0.00 O ATOM 503 CB GLU A 33 0.510 12.486 -5.689 1.00 0.00 C ATOM 504 CG GLU A 33 0.601 12.823 -7.179 1.00 0.00 C ATOM 505 CD GLU A 33 2.000 12.476 -7.696 1.00 0.00 C ATOM 506 OE1 GLU A 33 2.949 13.090 -7.234 1.00 0.00 O ATOM 507 OE2 GLU A 33 2.097 11.607 -8.545 1.00 0.00 O ATOM 0 H GLU A 33 2.350 11.679 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 33 1.856 14.164 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.840 11.462 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.526 12.548 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.153 12.266 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.396 13.882 -7.337 1.00 0.00 H new ATOM 514 N THR A 34 -0.097 15.299 -4.326 1.00 0.00 N ATOM 515 CA THR A 34 -0.967 16.080 -3.406 1.00 0.00 C ATOM 516 C THR A 34 -2.388 15.511 -3.454 1.00 0.00 C ATOM 517 O THR A 34 -3.362 16.236 -3.454 1.00 0.00 O ATOM 518 CB THR A 34 -0.985 17.549 -3.841 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.605 18.332 -2.832 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.767 17.687 -5.148 1.00 0.00 C ATOM 0 H THR A 34 -0.022 15.669 -5.274 1.00 0.00 H new ATOM 0 HA THR A 34 -0.581 16.012 -2.389 1.00 0.00 H new ATOM 0 HB THR A 34 0.037 17.895 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.486 17.958 -2.623 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.779 18.732 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.290 17.086 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.790 17.341 -4.998 1.00 0.00 H new ATOM 528 N TYR A 35 -2.506 14.210 -3.488 1.00 0.00 N ATOM 529 CA TYR A 35 -3.852 13.575 -3.532 1.00 0.00 C ATOM 530 C TYR A 35 -3.851 12.340 -2.638 1.00 0.00 C ATOM 531 O TYR A 35 -3.098 12.243 -1.689 1.00 0.00 O ATOM 532 CB TYR A 35 -4.172 13.133 -4.964 1.00 0.00 C ATOM 533 CG TYR A 35 -3.654 14.163 -5.943 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.362 15.355 -6.139 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.472 13.927 -6.652 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.886 16.309 -7.046 1.00 0.00 C ATOM 537 CE2 TYR A 35 -1.997 14.882 -7.559 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.703 16.074 -7.755 1.00 0.00 C ATOM 539 OH TYR A 35 -2.235 17.015 -8.650 1.00 0.00 O ATOM 0 H TYR A 35 -1.722 13.558 -3.487 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.597 14.294 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.716 12.164 -5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.248 13.011 -5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.274 15.538 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.925 13.008 -6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.433 17.228 -7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.085 14.698 -8.108 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.402 16.695 -9.056 1.00 0.00 H new ATOM 549 N GLY A 36 -4.674 11.385 -2.955 1.00 0.00 N ATOM 550 CA GLY A 36 -4.714 10.137 -2.156 1.00 0.00 C ATOM 551 C GLY A 36 -4.260 8.991 -3.054 1.00 0.00 C ATOM 552 O GLY A 36 -5.035 8.124 -3.410 1.00 0.00 O ATOM 0 H GLY A 36 -5.325 11.417 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.063 10.220 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.722 9.954 -1.784 1.00 0.00 H new ATOM 556 N LYS A 37 -3.008 8.975 -3.427 1.00 0.00 N ATOM 557 CA LYS A 37 -2.511 7.893 -4.294 1.00 0.00 C ATOM 558 C LYS A 37 -1.152 7.481 -3.746 1.00 0.00 C ATOM 559 O LYS A 37 -0.252 7.111 -4.447 1.00 0.00 O ATOM 560 CB LYS A 37 -2.381 8.406 -5.727 1.00 0.00 C ATOM 561 CG LYS A 37 -3.770 8.515 -6.359 1.00 0.00 C ATOM 562 CD LYS A 37 -3.662 9.220 -7.713 1.00 0.00 C ATOM 563 CE LYS A 37 -3.594 10.733 -7.498 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.953 11.249 -7.169 1.00 0.00 N ATOM 0 H LYS A 37 -2.313 9.673 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.192 7.042 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.890 9.379 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.756 7.730 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.201 7.522 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.438 9.070 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.773 8.877 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.521 8.969 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.900 10.966 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.215 11.222 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.975 12.280 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.654 10.802 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.179 11.025 -6.179 1.00 0.00 H new ATOM 578 N LEU A 38 -1.006 7.592 -2.472 1.00 0.00 N ATOM 579 CA LEU A 38 0.260 7.272 -1.811 1.00 0.00 C ATOM 580 C LEU A 38 0.023 6.066 -0.923 1.00 0.00 C ATOM 581 O LEU A 38 0.174 6.131 0.281 1.00 0.00 O ATOM 582 CB LEU A 38 0.602 8.455 -0.932 1.00 0.00 C ATOM 583 CG LEU A 38 0.232 9.788 -1.616 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.378 9.710 -3.142 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.194 10.195 -1.239 1.00 0.00 C ATOM 0 H LEU A 38 -1.743 7.904 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 38 1.056 7.067 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.072 8.371 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.668 8.445 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 38 0.930 10.546 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.108 10.669 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.411 9.472 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.280 8.933 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.445 11.137 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.891 9.422 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.264 10.317 -0.158 1.00 0.00 H new ATOM 597 N GLU A 39 -0.401 4.985 -1.485 1.00 0.00 N ATOM 598 CA GLU A 39 -0.703 3.814 -0.641 1.00 0.00 C ATOM 599 C GLU A 39 -1.202 2.685 -1.532 1.00 0.00 C ATOM 600 O GLU A 39 -0.873 2.623 -2.696 1.00 0.00 O ATOM 601 CB GLU A 39 -1.780 4.244 0.350 1.00 0.00 C ATOM 602 CG GLU A 39 -1.238 4.094 1.773 1.00 0.00 C ATOM 603 CD GLU A 39 -2.205 4.752 2.758 1.00 0.00 C ATOM 604 OE1 GLU A 39 -3.161 5.358 2.304 1.00 0.00 O ATOM 605 OE2 GLU A 39 -1.970 4.642 3.950 1.00 0.00 O ATOM 0 H GLU A 39 -0.551 4.860 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 39 0.176 3.460 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.070 5.278 0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.674 3.634 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.115 3.039 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.254 4.556 1.849 1.00 0.00 H new ATOM 612 N ALA A 40 -2.003 1.805 -1.013 1.00 0.00 N ATOM 613 CA ALA A 40 -2.522 0.705 -1.874 1.00 0.00 C ATOM 614 C ALA A 40 -3.485 1.295 -2.901 1.00 0.00 C ATOM 615 O ALA A 40 -4.124 2.298 -2.664 1.00 0.00 O ATOM 616 CB ALA A 40 -3.272 -0.325 -1.024 1.00 0.00 C ATOM 0 H ALA A 40 -2.320 1.795 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.685 0.215 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.646 -1.123 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.595 -0.745 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.109 0.159 -0.521 1.00 0.00 H new ATOM 622 N VAL A 41 -3.605 0.668 -4.032 1.00 0.00 N ATOM 623 CA VAL A 41 -4.537 1.171 -5.071 1.00 0.00 C ATOM 624 C VAL A 41 -5.845 0.413 -4.927 1.00 0.00 C ATOM 625 O VAL A 41 -6.922 0.969 -5.005 1.00 0.00 O ATOM 626 CB VAL A 41 -3.939 0.912 -6.472 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.785 -0.096 -7.242 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.916 2.209 -7.272 1.00 0.00 C ATOM 0 H VAL A 41 -3.094 -0.178 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.701 2.242 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.930 0.523 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.346 -0.264 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.818 -1.038 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.797 0.292 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.493 2.020 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.932 2.589 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.306 2.947 -6.751 1.00 0.00 H new ATOM 638 N GLN A 42 -5.745 -0.870 -4.758 1.00 0.00 N ATOM 639 CA GLN A 42 -6.982 -1.682 -4.656 1.00 0.00 C ATOM 640 C GLN A 42 -6.622 -3.164 -4.504 1.00 0.00 C ATOM 641 O GLN A 42 -5.815 -3.695 -5.239 1.00 0.00 O ATOM 642 CB GLN A 42 -7.797 -1.449 -5.944 1.00 0.00 C ATOM 643 CG GLN A 42 -8.795 -2.591 -6.167 1.00 0.00 C ATOM 644 CD GLN A 42 -9.674 -2.710 -4.953 1.00 0.00 C ATOM 645 OE1 GLN A 42 -10.432 -1.820 -4.629 1.00 0.00 O ATOM 646 NE2 GLN A 42 -9.603 -3.805 -4.293 1.00 0.00 N ATOM 0 H GLN A 42 -4.869 -1.388 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.567 -1.391 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.331 -0.501 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.124 -1.376 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.399 -2.396 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.265 -3.527 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.957 -4.537 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.193 -3.945 -3.473 1.00 0.00 H new ATOM 655 N TYR A 43 -7.222 -3.836 -3.556 1.00 0.00 N ATOM 656 CA TYR A 43 -6.920 -5.281 -3.363 1.00 0.00 C ATOM 657 C TYR A 43 -8.173 -6.107 -3.654 1.00 0.00 C ATOM 658 O TYR A 43 -9.165 -6.028 -2.951 1.00 0.00 O ATOM 659 CB TYR A 43 -6.474 -5.532 -1.925 1.00 0.00 C ATOM 660 CG TYR A 43 -7.668 -5.460 -0.998 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.275 -4.230 -0.712 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.179 -6.638 -0.441 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.394 -4.182 0.130 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.292 -6.590 0.404 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.902 -5.363 0.689 1.00 0.00 C ATOM 666 OH TYR A 43 -11.003 -5.315 1.519 1.00 0.00 O ATOM 0 H TYR A 43 -7.907 -3.445 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.120 -5.572 -4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.000 -6.510 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.729 -4.793 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.881 -3.320 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.713 -7.586 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.865 -3.235 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.681 -7.500 0.837 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.226 -6.221 1.819 1.00 0.00 H new ATOM 676 N LYS A 44 -8.151 -6.877 -4.697 1.00 0.00 N ATOM 677 CA LYS A 44 -9.349 -7.682 -5.028 1.00 0.00 C ATOM 678 C LYS A 44 -9.202 -9.043 -4.344 1.00 0.00 C ATOM 679 O LYS A 44 -8.119 -9.568 -4.231 1.00 0.00 O ATOM 680 CB LYS A 44 -9.486 -7.813 -6.565 1.00 0.00 C ATOM 681 CG LYS A 44 -9.530 -9.281 -7.028 1.00 0.00 C ATOM 682 CD LYS A 44 -10.940 -9.863 -6.833 1.00 0.00 C ATOM 683 CE LYS A 44 -11.953 -9.095 -7.688 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.363 -9.935 -8.849 1.00 0.00 N ATOM 0 H LYS A 44 -7.360 -6.984 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.259 -7.202 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.394 -7.305 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.648 -7.308 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.245 -9.346 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.806 -9.869 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.947 -10.918 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.223 -9.806 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.825 -8.833 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.515 -8.161 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.051 -9.413 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.527 -10.164 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.797 -10.815 -8.505 1.00 0.00 H new ATOM 698 N THR A 45 -10.262 -9.619 -3.874 1.00 0.00 N ATOM 699 CA THR A 45 -10.122 -10.937 -3.199 1.00 0.00 C ATOM 700 C THR A 45 -10.933 -11.993 -3.941 1.00 0.00 C ATOM 701 O THR A 45 -12.052 -11.762 -4.357 1.00 0.00 O ATOM 702 CB THR A 45 -10.622 -10.829 -1.755 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.268 -9.577 -1.572 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.443 -10.947 -0.791 1.00 0.00 C ATOM 0 H THR A 45 -11.210 -9.245 -3.924 1.00 0.00 H new ATOM 0 HA THR A 45 -9.072 -11.228 -3.201 1.00 0.00 H new ATOM 0 HB THR A 45 -11.329 -11.634 -1.554 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.590 -9.507 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.803 -10.870 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.953 -11.910 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.731 -10.145 -0.987 1.00 0.00 H new ATOM 712 N GLN A 46 -10.372 -13.158 -4.100 1.00 0.00 N ATOM 713 CA GLN A 46 -11.091 -14.250 -4.807 1.00 0.00 C ATOM 714 C GLN A 46 -10.527 -15.589 -4.332 1.00 0.00 C ATOM 715 O GLN A 46 -9.498 -15.640 -3.690 1.00 0.00 O ATOM 716 CB GLN A 46 -10.886 -14.104 -6.317 1.00 0.00 C ATOM 717 CG GLN A 46 -9.389 -14.136 -6.636 1.00 0.00 C ATOM 718 CD GLN A 46 -9.150 -13.555 -8.030 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.614 -14.096 -9.014 1.00 0.00 O ATOM 720 NE2 GLN A 46 -8.440 -12.467 -8.159 1.00 0.00 N ATOM 0 H GLN A 46 -9.439 -13.401 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.158 -14.200 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.398 -14.910 -6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.323 -13.168 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.836 -13.563 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.019 -15.160 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.050 -12.012 -7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.275 -12.072 -9.085 1.00 0.00 H new ATOM 729 N VAL A 47 -11.187 -16.669 -4.635 1.00 0.00 N ATOM 730 CA VAL A 47 -10.679 -18.000 -4.192 1.00 0.00 C ATOM 731 C VAL A 47 -9.765 -18.574 -5.257 1.00 0.00 C ATOM 732 O VAL A 47 -9.199 -17.850 -6.051 1.00 0.00 O ATOM 733 CB VAL A 47 -11.852 -18.958 -3.949 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.514 -19.893 -2.786 1.00 0.00 C ATOM 735 CG2 VAL A 47 -13.112 -18.159 -3.603 1.00 0.00 C ATOM 0 H VAL A 47 -12.055 -16.691 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.123 -17.877 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.030 -19.542 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.347 -20.574 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.620 -20.468 -3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.334 -19.304 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.942 -18.845 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.934 -17.572 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.358 -17.491 -4.429 1.00 0.00 H new ATOM 745 N VAL A 48 -9.600 -19.868 -5.239 1.00 0.00 N ATOM 746 CA VAL A 48 -8.701 -20.552 -6.209 1.00 0.00 C ATOM 747 C VAL A 48 -8.419 -21.943 -5.660 1.00 0.00 C ATOM 748 O VAL A 48 -8.512 -22.951 -6.334 1.00 0.00 O ATOM 749 CB VAL A 48 -7.380 -19.749 -6.315 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.237 -20.408 -5.528 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.977 -19.618 -7.787 1.00 0.00 C ATOM 0 H VAL A 48 -10.061 -20.493 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.156 -20.619 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.557 -18.765 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.332 -19.810 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.510 -20.473 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.057 -21.410 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.048 -19.053 -7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.833 -20.610 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.763 -19.097 -8.334 1.00 0.00 H new ATOM 761 N ALA A 49 -8.040 -21.954 -4.423 1.00 0.00 N ATOM 762 CA ALA A 49 -7.681 -23.206 -3.710 1.00 0.00 C ATOM 763 C ALA A 49 -6.714 -22.796 -2.603 1.00 0.00 C ATOM 764 O ALA A 49 -5.653 -23.361 -2.425 1.00 0.00 O ATOM 765 CB ALA A 49 -6.995 -24.174 -4.677 1.00 0.00 C ATOM 0 H ALA A 49 -7.960 -21.113 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.560 -23.708 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.733 -25.091 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.672 -24.408 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.090 -23.713 -5.073 1.00 0.00 H new ATOM 771 N GLY A 50 -7.085 -21.769 -1.893 1.00 0.00 N ATOM 772 CA GLY A 50 -6.239 -21.211 -0.806 1.00 0.00 C ATOM 773 C GLY A 50 -6.669 -19.755 -0.619 1.00 0.00 C ATOM 774 O GLY A 50 -6.575 -19.204 0.458 1.00 0.00 O ATOM 0 H GLY A 50 -7.969 -21.279 -2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.372 -21.776 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.183 -21.272 -1.067 1.00 0.00 H new ATOM 778 N THR A 51 -7.167 -19.162 -1.691 1.00 0.00 N ATOM 779 CA THR A 51 -7.673 -17.750 -1.689 1.00 0.00 C ATOM 780 C THR A 51 -6.693 -16.819 -2.408 1.00 0.00 C ATOM 781 O THR A 51 -5.678 -16.429 -1.865 1.00 0.00 O ATOM 782 CB THR A 51 -7.886 -17.260 -0.267 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.680 -18.202 0.444 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.594 -15.906 -0.301 1.00 0.00 C ATOM 0 H THR A 51 -7.243 -19.623 -2.598 1.00 0.00 H new ATOM 0 HA THR A 51 -8.626 -17.738 -2.218 1.00 0.00 H new ATOM 0 HB THR A 51 -6.924 -17.152 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.105 -18.740 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.749 -15.551 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.981 -15.188 -0.846 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.558 -16.012 -0.799 1.00 0.00 H new ATOM 792 N ASN A 52 -6.993 -16.454 -3.631 1.00 0.00 N ATOM 793 CA ASN A 52 -6.082 -15.542 -4.388 1.00 0.00 C ATOM 794 C ASN A 52 -6.287 -14.085 -3.948 1.00 0.00 C ATOM 795 O ASN A 52 -7.373 -13.684 -3.576 1.00 0.00 O ATOM 796 CB ASN A 52 -6.407 -15.642 -5.876 1.00 0.00 C ATOM 797 CG ASN A 52 -5.119 -15.843 -6.674 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.128 -15.189 -6.423 1.00 0.00 O ATOM 799 ND2 ASN A 52 -5.091 -16.726 -7.634 1.00 0.00 N ATOM 0 H ASN A 52 -7.829 -16.748 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.051 -15.837 -4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.089 -16.473 -6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.914 -14.736 -6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.237 -16.866 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.924 -17.276 -7.845 1.00 0.00 H new ATOM 806 N TYR A 53 -5.255 -13.281 -4.027 1.00 0.00 N ATOM 807 CA TYR A 53 -5.388 -11.837 -3.657 1.00 0.00 C ATOM 808 C TYR A 53 -4.706 -10.989 -4.729 1.00 0.00 C ATOM 809 O TYR A 53 -3.633 -11.307 -5.203 1.00 0.00 O ATOM 810 CB TYR A 53 -4.742 -11.553 -2.297 1.00 0.00 C ATOM 811 CG TYR A 53 -5.309 -12.482 -1.249 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.669 -12.419 -0.931 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.478 -13.397 -0.591 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.201 -13.270 0.045 1.00 0.00 C ATOM 815 CE2 TYR A 53 -5.008 -14.247 0.387 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.369 -14.185 0.704 1.00 0.00 C ATOM 817 OH TYR A 53 -6.889 -15.022 1.669 1.00 0.00 O ATOM 0 H TYR A 53 -4.324 -13.563 -4.333 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.447 -11.589 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.662 -11.684 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.920 -10.517 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.310 -11.713 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.428 -13.447 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.252 -13.221 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.366 -14.950 0.897 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.623 -14.569 2.134 1.00 0.00 H new ATOM 827 N TYR A 54 -5.330 -9.916 -5.115 1.00 0.00 N ATOM 828 CA TYR A 54 -4.748 -9.033 -6.164 1.00 0.00 C ATOM 829 C TYR A 54 -4.489 -7.645 -5.568 1.00 0.00 C ATOM 830 O TYR A 54 -5.349 -6.790 -5.588 1.00 0.00 O ATOM 831 CB TYR A 54 -5.755 -8.915 -7.309 1.00 0.00 C ATOM 832 CG TYR A 54 -5.070 -9.225 -8.617 1.00 0.00 C ATOM 833 CD1 TYR A 54 -3.898 -8.549 -8.968 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.608 -10.190 -9.477 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.261 -8.836 -10.180 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.971 -10.479 -10.691 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.797 -9.801 -11.041 1.00 0.00 C ATOM 838 OH TYR A 54 -3.169 -10.085 -12.237 1.00 0.00 O ATOM 0 H TYR A 54 -6.229 -9.607 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.810 -9.449 -6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.585 -9.603 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.175 -7.909 -7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.484 -7.805 -8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.514 -10.711 -9.205 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.356 -8.313 -10.451 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.385 -11.223 -11.355 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.671 -10.779 -12.713 1.00 0.00 H new ATOM 848 N ILE A 55 -3.331 -7.408 -5.021 1.00 0.00 N ATOM 849 CA ILE A 55 -3.078 -6.076 -4.413 1.00 0.00 C ATOM 850 C ILE A 55 -2.375 -5.145 -5.393 1.00 0.00 C ATOM 851 O ILE A 55 -1.167 -5.016 -5.390 1.00 0.00 O ATOM 852 CB ILE A 55 -2.218 -6.248 -3.156 1.00 0.00 C ATOM 853 CG1 ILE A 55 -3.078 -6.784 -2.003 1.00 0.00 C ATOM 854 CG2 ILE A 55 -1.623 -4.899 -2.743 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.012 -7.886 -2.512 1.00 0.00 C ATOM 0 H ILE A 55 -2.557 -8.071 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.037 -5.629 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.416 -6.953 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.438 -7.176 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.662 -5.973 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.013 -5.029 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.004 -4.512 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.428 -4.195 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.618 -8.260 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.664 -7.482 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.420 -8.702 -2.926 1.00 0.00 H new ATOM 867 N LYS A 56 -3.129 -4.438 -6.179 1.00 0.00 N ATOM 868 CA LYS A 56 -2.519 -3.458 -7.097 1.00 0.00 C ATOM 869 C LYS A 56 -2.182 -2.258 -6.223 1.00 0.00 C ATOM 870 O LYS A 56 -3.062 -1.591 -5.725 1.00 0.00 O ATOM 871 CB LYS A 56 -3.537 -3.067 -8.159 1.00 0.00 C ATOM 872 CG LYS A 56 -2.876 -2.139 -9.179 1.00 0.00 C ATOM 873 CD LYS A 56 -3.658 -2.180 -10.491 1.00 0.00 C ATOM 874 CE LYS A 56 -2.925 -1.346 -11.544 1.00 0.00 C ATOM 875 NZ LYS A 56 -3.550 -1.568 -12.877 1.00 0.00 N ATOM 0 H LYS A 56 -4.146 -4.500 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.638 -3.847 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.920 -3.958 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.389 -2.569 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.846 -1.120 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.844 -2.445 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.762 -3.210 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.665 -1.792 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.969 -0.289 -11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.871 -1.623 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.052 -1.001 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.486 -2.575 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.550 -1.283 -12.844 1.00 0.00 H new ATOM 889 N VAL A 57 -0.939 -1.997 -5.968 1.00 0.00 N ATOM 890 CA VAL A 57 -0.639 -0.861 -5.053 1.00 0.00 C ATOM 891 C VAL A 57 -0.612 0.471 -5.812 1.00 0.00 C ATOM 892 O VAL A 57 -0.193 0.560 -6.947 1.00 0.00 O ATOM 893 CB VAL A 57 0.680 -1.096 -4.281 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.479 -2.236 -4.897 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.515 0.179 -4.272 1.00 0.00 C ATOM 0 H VAL A 57 -0.134 -2.502 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.443 -0.806 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 57 0.429 -1.370 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.401 -2.379 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.889 -3.152 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.719 -1.994 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.442 0.003 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.747 0.469 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.954 0.978 -3.787 1.00 0.00 H new ATOM 905 N ARG A 58 -1.066 1.498 -5.154 1.00 0.00 N ATOM 906 CA ARG A 58 -1.099 2.858 -5.755 1.00 0.00 C ATOM 907 C ARG A 58 0.181 3.612 -5.398 1.00 0.00 C ATOM 908 O ARG A 58 0.634 3.574 -4.269 1.00 0.00 O ATOM 909 CB ARG A 58 -2.336 3.594 -5.181 1.00 0.00 C ATOM 910 CG ARG A 58 -1.982 4.924 -4.473 1.00 0.00 C ATOM 911 CD ARG A 58 -2.780 5.048 -3.175 1.00 0.00 C ATOM 912 NE ARG A 58 -4.173 4.600 -3.415 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.168 5.190 -2.809 1.00 0.00 C ATOM 914 NH1 ARG A 58 -5.217 5.212 -1.506 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.116 5.754 -3.507 1.00 0.00 N ATOM 0 H ARG A 58 -1.425 1.450 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.165 2.800 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.038 3.797 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.845 2.938 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.914 4.959 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.204 5.766 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.321 4.444 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.772 6.081 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.355 3.828 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.478 4.768 -0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.994 5.673 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.080 5.734 -4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.893 6.215 -3.033 1.00 0.00 H new ATOM 929 N ALA A 59 0.736 4.346 -6.318 1.00 0.00 N ATOM 930 CA ALA A 59 1.939 5.135 -5.976 1.00 0.00 C ATOM 931 C ALA A 59 1.745 6.561 -6.470 1.00 0.00 C ATOM 932 O ALA A 59 2.690 7.264 -6.732 1.00 0.00 O ATOM 933 CB ALA A 59 3.177 4.529 -6.619 1.00 0.00 C ATOM 0 H ALA A 59 0.410 4.431 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 59 2.079 5.129 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.052 5.124 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.311 3.508 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.057 4.520 -7.702 1.00 0.00 H new ATOM 939 N GLY A 60 0.528 7.006 -6.585 1.00 0.00 N ATOM 940 CA GLY A 60 0.318 8.404 -7.046 1.00 0.00 C ATOM 941 C GLY A 60 -0.460 8.403 -8.361 1.00 0.00 C ATOM 942 O GLY A 60 -1.210 7.490 -8.649 1.00 0.00 O ATOM 0 H GLY A 60 -0.318 6.473 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.228 8.968 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.279 8.900 -7.182 1.00 0.00 H new ATOM 946 N ASP A 61 -0.285 9.414 -9.165 1.00 0.00 N ATOM 947 CA ASP A 61 -1.011 9.467 -10.465 1.00 0.00 C ATOM 948 C ASP A 61 -0.075 9.021 -11.591 1.00 0.00 C ATOM 949 O ASP A 61 -0.489 8.849 -12.721 1.00 0.00 O ATOM 950 CB ASP A 61 -1.476 10.901 -10.731 1.00 0.00 C ATOM 951 CG ASP A 61 -2.721 10.879 -11.621 1.00 0.00 C ATOM 952 OD1 ASP A 61 -3.583 10.051 -11.380 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.790 11.691 -12.530 1.00 0.00 O ATOM 0 H ASP A 61 0.330 10.206 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.875 8.804 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.698 11.403 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.681 11.468 -11.214 1.00 0.00 H new ATOM 958 N ASN A 62 1.183 8.836 -11.294 1.00 0.00 N ATOM 959 CA ASN A 62 2.140 8.406 -12.344 1.00 0.00 C ATOM 960 C ASN A 62 2.835 7.113 -11.912 1.00 0.00 C ATOM 961 O ASN A 62 3.158 6.269 -12.725 1.00 0.00 O ATOM 962 CB ASN A 62 3.186 9.502 -12.561 1.00 0.00 C ATOM 963 CG ASN A 62 3.924 9.769 -11.248 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.084 9.434 -11.111 1.00 0.00 O ATOM 965 ND2 ASN A 62 3.296 10.362 -10.270 1.00 0.00 N ATOM 0 H ASN A 62 1.587 8.965 -10.366 1.00 0.00 H new ATOM 0 HA ASN A 62 1.599 8.230 -13.274 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.893 9.197 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.705 10.415 -12.912 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.779 10.544 -9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.322 10.643 -10.385 1.00 0.00 H new ATOM 972 N LYS A 63 3.064 6.947 -10.638 1.00 0.00 N ATOM 973 CA LYS A 63 3.732 5.704 -10.158 1.00 0.00 C ATOM 974 C LYS A 63 2.661 4.651 -9.862 1.00 0.00 C ATOM 975 O LYS A 63 1.522 4.972 -9.564 1.00 0.00 O ATOM 976 CB LYS A 63 4.531 6.013 -8.894 1.00 0.00 C ATOM 977 CG LYS A 63 5.739 6.875 -9.255 1.00 0.00 C ATOM 978 CD LYS A 63 5.577 8.261 -8.630 1.00 0.00 C ATOM 979 CE LYS A 63 6.756 9.146 -9.040 1.00 0.00 C ATOM 980 NZ LYS A 63 6.472 10.557 -8.660 1.00 0.00 N ATOM 0 H LYS A 63 2.818 7.617 -9.910 1.00 0.00 H new ATOM 0 HA LYS A 63 4.413 5.324 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.902 6.533 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.859 5.087 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.655 6.406 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.829 6.960 -10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.640 8.711 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.530 8.179 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.669 8.803 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.922 9.074 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.643 11.178 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.479 10.643 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.095 10.837 -7.876 1.00 0.00 H new ATOM 994 N TYR A 64 2.997 3.394 -9.956 1.00 0.00 N ATOM 995 CA TYR A 64 1.972 2.351 -9.711 1.00 0.00 C ATOM 996 C TYR A 64 2.666 1.016 -9.476 1.00 0.00 C ATOM 997 O TYR A 64 3.452 0.566 -10.285 1.00 0.00 O ATOM 998 CB TYR A 64 1.089 2.242 -10.955 1.00 0.00 C ATOM 999 CG TYR A 64 -0.341 2.577 -10.606 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -1.192 1.591 -10.094 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -0.815 3.879 -10.805 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.519 1.909 -9.779 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.141 4.196 -10.492 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.993 3.212 -9.979 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.302 3.528 -9.675 1.00 0.00 O ATOM 0 H TYR A 64 3.928 3.050 -10.190 1.00 0.00 H new ATOM 0 HA TYR A 64 1.370 2.609 -8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.451 2.919 -11.728 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.145 1.233 -11.363 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.826 0.586 -9.942 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.157 4.639 -11.200 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.177 1.150 -9.382 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.507 5.200 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.465 4.474 -9.873 1.00 0.00 H new ATOM 1015 N LEU A 65 2.382 0.374 -8.385 1.00 0.00 N ATOM 1016 CA LEU A 65 3.029 -0.930 -8.116 1.00 0.00 C ATOM 1017 C LEU A 65 1.985 -2.029 -8.161 1.00 0.00 C ATOM 1018 O LEU A 65 0.858 -1.807 -8.558 1.00 0.00 O ATOM 1019 CB LEU A 65 3.697 -0.893 -6.749 1.00 0.00 C ATOM 1020 CG LEU A 65 4.621 0.334 -6.701 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.850 1.526 -6.154 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.816 0.076 -5.781 1.00 0.00 C ATOM 0 H LEU A 65 1.731 0.696 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 65 3.787 -1.129 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.947 -0.835 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.268 -1.806 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 65 4.977 0.534 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.504 2.397 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.999 1.737 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.494 1.299 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.457 0.957 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.460 -0.136 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.383 -0.777 -6.152 1.00 0.00 H new ATOM 1034 N HIS A 66 2.332 -3.221 -7.773 1.00 0.00 N ATOM 1035 CA HIS A 66 1.325 -4.292 -7.836 1.00 0.00 C ATOM 1036 C HIS A 66 1.815 -5.560 -7.133 1.00 0.00 C ATOM 1037 O HIS A 66 2.996 -5.816 -7.021 1.00 0.00 O ATOM 1038 CB HIS A 66 1.059 -4.581 -9.299 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.297 -5.174 -9.436 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.301 -4.548 -10.142 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.839 -6.326 -8.941 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.391 -5.319 -10.054 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.167 -6.420 -9.333 1.00 0.00 N ATOM 0 H HIS A 66 3.252 -3.490 -7.423 1.00 0.00 H new ATOM 0 HA HIS A 66 0.416 -3.972 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.129 -3.663 -9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.811 -5.266 -9.690 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.315 -7.052 -8.337 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.339 -5.079 -10.512 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.827 -7.167 -9.117 1.00 0.00 H new ATOM 1051 N LEU A 67 0.890 -6.346 -6.660 1.00 0.00 N ATOM 1052 CA LEU A 67 1.233 -7.610 -5.951 1.00 0.00 C ATOM 1053 C LEU A 67 0.056 -8.562 -6.050 1.00 0.00 C ATOM 1054 O LEU A 67 -1.066 -8.171 -6.292 1.00 0.00 O ATOM 1055 CB LEU A 67 1.450 -7.311 -4.471 1.00 0.00 C ATOM 1056 CG LEU A 67 1.487 -8.621 -3.667 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.744 -9.410 -4.008 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.501 -8.283 -2.179 1.00 0.00 C ATOM 0 H LEU A 67 -0.110 -6.162 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 67 2.129 -8.043 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.384 -6.766 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.650 -6.670 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 67 0.611 -9.221 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.760 -10.336 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.749 -9.644 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.624 -8.816 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.527 -9.204 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.382 -7.684 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.603 -7.719 -1.926 1.00 0.00 H new ATOM 1070 N LYS A 68 0.312 -9.797 -5.805 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.739 -10.805 -5.797 1.00 0.00 C ATOM 1072 C LYS A 68 -0.523 -11.602 -4.553 1.00 0.00 C ATOM 1073 O LYS A 68 0.348 -12.453 -4.531 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.528 -11.744 -6.932 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.782 -12.572 -7.186 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.780 -13.757 -6.215 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.500 -15.076 -6.946 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.047 -15.028 -8.333 1.00 0.00 N ATOM 0 H LYS A 68 1.245 -10.157 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.724 -10.343 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.268 -11.184 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.312 -12.404 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.675 -11.964 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.801 -12.926 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.025 -13.598 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.743 -13.817 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.426 -15.261 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.950 -15.905 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.066 -15.988 -8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.013 -14.643 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.444 -14.419 -8.923 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.252 -11.366 -3.520 1.00 0.00 N ATOM 1093 CA VAL A 69 -0.994 -12.175 -2.330 1.00 0.00 C ATOM 1094 C VAL A 69 -1.763 -13.481 -2.479 1.00 0.00 C ATOM 1095 O VAL A 69 -2.915 -13.491 -2.864 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.426 -11.433 -1.064 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -0.661 -11.995 0.137 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -1.116 -9.942 -1.214 1.00 0.00 C ATOM 0 H VAL A 69 -1.994 -10.669 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 69 0.073 -12.375 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.497 -11.566 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.966 -11.469 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.881 -13.057 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.409 -11.860 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.424 -9.414 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.045 -9.807 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.658 -9.542 -2.071 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.146 -14.594 -2.225 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.886 -15.866 -2.411 1.00 0.00 C ATOM 1110 C PHE A 70 -1.602 -16.843 -1.273 1.00 0.00 C ATOM 1111 O PHE A 70 -0.482 -17.228 -1.041 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.449 -16.492 -3.729 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.170 -17.804 -3.914 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.481 -17.952 -3.443 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.531 -18.870 -4.554 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -4.153 -19.166 -3.614 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.204 -20.088 -4.725 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.514 -20.234 -4.255 1.00 0.00 C ATOM 0 H PHE A 70 -0.182 -14.680 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.955 -15.653 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.673 -15.820 -4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.371 -16.652 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.973 -17.128 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.520 -18.755 -4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.164 -19.280 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.712 -20.913 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.033 -21.172 -4.387 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.622 -17.275 -0.583 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.414 -18.257 0.515 1.00 0.00 C ATOM 1130 C LYS A 71 -2.516 -19.658 -0.083 1.00 0.00 C ATOM 1131 O LYS A 71 -3.380 -20.438 0.268 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.492 -18.070 1.585 1.00 0.00 C ATOM 1133 CG LYS A 71 -3.062 -16.969 2.556 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.131 -17.495 3.990 1.00 0.00 C ATOM 1135 CE LYS A 71 -4.526 -17.239 4.563 1.00 0.00 C ATOM 1136 NZ LYS A 71 -4.422 -16.988 6.029 1.00 0.00 N ATOM 0 H LYS A 71 -3.590 -16.990 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.437 -18.112 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.441 -17.807 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.650 -19.004 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.048 -16.643 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.709 -16.099 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.910 -18.562 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.378 -17.003 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.983 -16.382 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.171 -18.097 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.370 -16.814 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.003 -17.818 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.820 -16.157 6.197 1.00 0.00 H new ATOM 1150 N SER A 72 -1.645 -19.966 -1.007 1.00 0.00 N ATOM 1151 CA SER A 72 -1.678 -21.299 -1.672 1.00 0.00 C ATOM 1152 C SER A 72 -2.038 -22.391 -0.666 1.00 0.00 C ATOM 1153 O SER A 72 -1.252 -22.766 0.182 1.00 0.00 O ATOM 1154 CB SER A 72 -0.306 -21.598 -2.280 1.00 0.00 C ATOM 1155 OG SER A 72 -0.441 -21.762 -3.686 1.00 0.00 O ATOM 0 H SER A 72 -0.905 -19.344 -1.332 1.00 0.00 H new ATOM 0 HA SER A 72 -2.435 -21.282 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.386 -20.785 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.113 -22.501 -1.835 1.00 0.00 H new ATOM 0 HG SER A 72 -0.589 -20.888 -4.105 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.227 -22.912 -0.771 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.668 -23.992 0.151 1.00 0.00 C ATOM 1163 C LEU A 73 -4.700 -24.856 -0.580 1.00 0.00 C ATOM 1164 O LEU A 73 -5.841 -24.941 -0.178 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.275 -23.364 1.408 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.066 -24.411 2.187 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.635 -24.395 3.655 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.552 -24.078 2.092 1.00 0.00 C ATOM 0 H LEU A 73 -3.920 -22.632 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.826 -24.615 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.485 -22.952 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.927 -22.535 1.132 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.878 -25.400 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.202 -25.144 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.571 -24.621 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.825 -23.409 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.127 -24.820 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.731 -23.090 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.860 -24.086 1.047 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.265 -25.457 -1.662 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.128 -26.311 -2.495 1.00 0.00 C ATOM 1182 C PRO A 74 -5.240 -27.716 -1.893 1.00 0.00 C ATOM 1183 O PRO A 74 -5.026 -28.706 -2.563 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.390 -26.353 -3.837 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.907 -26.037 -3.531 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.879 -25.333 -2.162 1.00 0.00 C ATOM 0 HA PRO A 74 -6.148 -25.937 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.490 -27.333 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.807 -25.624 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.313 -26.951 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.480 -25.398 -4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.168 -25.806 -1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.582 -24.289 -2.257 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.585 -27.815 -0.637 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.720 -29.157 -0.002 1.00 0.00 C ATOM 1196 C GLY A 75 -4.388 -29.588 0.617 1.00 0.00 C ATOM 1197 O GLY A 75 -4.321 -29.941 1.778 1.00 0.00 O ATOM 0 H GLY A 75 -5.779 -27.024 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.493 -29.127 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.037 -29.888 -0.745 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.329 -29.573 -0.144 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.010 -29.996 0.416 1.00 0.00 C ATOM 1203 C GLN A 76 -1.432 -28.875 1.284 1.00 0.00 C ATOM 1204 O GLN A 76 -0.659 -29.118 2.189 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.044 -30.310 -0.728 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.214 -31.546 -0.368 1.00 0.00 C ATOM 1207 CD GLN A 76 1.272 -31.180 -0.358 1.00 0.00 C ATOM 1208 OE1 GLN A 76 1.766 -30.626 0.603 1.00 0.00 O ATOM 1209 NE2 GLN A 76 2.010 -31.470 -1.395 1.00 0.00 N ATOM 0 H GLN A 76 -3.317 -29.288 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.149 -30.888 1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.599 -30.487 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.388 -29.458 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.512 -31.925 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.398 -32.343 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.595 -31.935 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.002 -31.231 -1.398 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.796 -27.651 1.019 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.260 -26.523 1.835 1.00 0.00 C ATOM 1220 C ASN A 77 0.269 -26.566 1.820 1.00 0.00 C ATOM 1221 O ASN A 77 0.898 -27.026 2.754 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.756 -26.656 3.276 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.207 -25.498 4.111 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.448 -25.706 5.036 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -1.560 -24.277 3.820 1.00 0.00 N ATOM 0 H ASN A 77 -2.440 -27.382 0.275 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.603 -25.577 1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.846 -26.651 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.433 -27.608 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.199 -23.497 4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.197 -24.102 3.043 1.00 0.00 H new ATOM 1232 N GLU A 78 0.876 -26.091 0.767 1.00 0.00 N ATOM 1233 CA GLU A 78 2.363 -26.105 0.695 1.00 0.00 C ATOM 1234 C GLU A 78 2.888 -24.670 0.742 1.00 0.00 C ATOM 1235 O GLU A 78 3.410 -24.156 -0.227 1.00 0.00 O ATOM 1236 CB GLU A 78 2.803 -26.762 -0.615 1.00 0.00 C ATOM 1237 CG GLU A 78 3.407 -28.137 -0.320 1.00 0.00 C ATOM 1238 CD GLU A 78 4.862 -28.165 -0.788 1.00 0.00 C ATOM 1239 OE1 GLU A 78 5.133 -27.618 -1.845 1.00 0.00 O ATOM 1240 OE2 GLU A 78 5.680 -28.728 -0.082 1.00 0.00 O ATOM 0 H GLU A 78 0.406 -25.694 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 78 2.762 -26.668 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.951 -26.864 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.535 -26.133 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.353 -28.348 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.835 -28.914 -0.828 1.00 0.00 H new ATOM 1247 N ASP A 79 2.752 -24.015 1.863 1.00 0.00 N ATOM 1248 CA ASP A 79 3.239 -22.611 1.968 1.00 0.00 C ATOM 1249 C ASP A 79 2.382 -21.713 1.075 1.00 0.00 C ATOM 1250 O ASP A 79 1.712 -22.176 0.174 1.00 0.00 O ATOM 1251 CB ASP A 79 4.699 -22.546 1.510 1.00 0.00 C ATOM 1252 CG ASP A 79 5.495 -21.656 2.466 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.522 -20.457 2.243 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.062 -22.188 3.406 1.00 0.00 O ATOM 0 H ASP A 79 2.325 -24.391 2.709 1.00 0.00 H new ATOM 0 HA ASP A 79 3.168 -22.272 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.129 -23.548 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.756 -22.150 0.496 1.00 0.00 H new ATOM 1259 N LEU A 80 2.391 -20.429 1.316 1.00 0.00 N ATOM 1260 CA LEU A 80 1.568 -19.516 0.475 1.00 0.00 C ATOM 1261 C LEU A 80 2.250 -19.281 -0.863 1.00 0.00 C ATOM 1262 O LEU A 80 2.899 -20.154 -1.403 1.00 0.00 O ATOM 1263 CB LEU A 80 1.344 -18.190 1.202 1.00 0.00 C ATOM 1264 CG LEU A 80 2.630 -17.377 1.219 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.289 -15.895 1.060 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.329 -17.616 2.553 1.00 0.00 C ATOM 0 H LEU A 80 2.930 -19.976 2.054 1.00 0.00 H new ATOM 0 HA LEU A 80 0.598 -19.980 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.554 -17.625 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.010 -18.378 2.223 1.00 0.00 H new ATOM 0 HG LEU A 80 3.286 -17.676 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.207 -15.307 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.771 -15.740 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.646 -15.579 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.255 -17.042 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.677 -17.301 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.556 -18.677 2.660 1.00 0.00 H new ATOM 1278 N VAL A 81 2.073 -18.122 -1.415 1.00 0.00 N ATOM 1279 CA VAL A 81 2.668 -17.830 -2.741 1.00 0.00 C ATOM 1280 C VAL A 81 2.292 -16.402 -3.140 1.00 0.00 C ATOM 1281 O VAL A 81 1.298 -15.867 -2.693 1.00 0.00 O ATOM 1282 CB VAL A 81 2.091 -18.854 -3.733 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.776 -18.203 -5.086 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.105 -19.980 -3.947 1.00 0.00 C ATOM 0 H VAL A 81 1.538 -17.358 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 81 3.755 -17.905 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 81 1.165 -19.248 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.370 -18.953 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.045 -17.407 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.689 -17.786 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.698 -20.707 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.030 -19.565 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.310 -20.471 -2.995 1.00 0.00 H new ATOM 1294 N LEU A 82 3.065 -15.788 -3.989 1.00 0.00 N ATOM 1295 CA LEU A 82 2.731 -14.417 -4.418 1.00 0.00 C ATOM 1296 C LEU A 82 3.043 -14.265 -5.888 1.00 0.00 C ATOM 1297 O LEU A 82 4.018 -13.650 -6.271 1.00 0.00 O ATOM 1298 CB LEU A 82 3.532 -13.390 -3.633 1.00 0.00 C ATOM 1299 CG LEU A 82 2.634 -12.805 -2.559 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.547 -13.772 -1.377 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.197 -11.465 -2.086 1.00 0.00 C ATOM 0 H LEU A 82 3.911 -16.181 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 82 1.670 -14.247 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.409 -13.856 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.894 -12.604 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 82 1.637 -12.649 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.901 -13.349 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.134 -14.723 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.543 -13.934 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.548 -11.050 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.197 -11.614 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.248 -10.774 -2.928 1.00 0.00 H new ATOM 1313 N THR A 83 2.207 -14.798 -6.720 1.00 0.00 N ATOM 1314 CA THR A 83 2.439 -14.658 -8.173 1.00 0.00 C ATOM 1315 C THR A 83 2.458 -13.168 -8.536 1.00 0.00 C ATOM 1316 O THR A 83 2.725 -12.810 -9.666 1.00 0.00 O ATOM 1317 CB THR A 83 1.323 -15.356 -8.942 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.815 -16.432 -8.165 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.870 -15.893 -10.267 1.00 0.00 C ATOM 0 H THR A 83 1.374 -15.324 -6.458 1.00 0.00 H new ATOM 0 HA THR A 83 3.393 -15.114 -8.436 1.00 0.00 H new ATOM 0 HB THR A 83 0.522 -14.645 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.096 -16.880 -8.658 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.071 -16.392 -10.815 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.258 -15.066 -10.862 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.672 -16.604 -10.068 1.00 0.00 H new ATOM 1327 N GLY A 84 2.179 -12.285 -7.599 1.00 0.00 N ATOM 1328 CA GLY A 84 2.195 -10.840 -7.946 1.00 0.00 C ATOM 1329 C GLY A 84 3.316 -10.146 -7.188 1.00 0.00 C ATOM 1330 O GLY A 84 3.685 -10.540 -6.101 1.00 0.00 O ATOM 0 H GLY A 84 1.946 -12.505 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.336 -10.715 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.237 -10.385 -7.696 1.00 0.00 H new ATOM 1334 N TYR A 85 3.853 -9.113 -7.757 1.00 0.00 N ATOM 1335 CA TYR A 85 4.948 -8.369 -7.091 1.00 0.00 C ATOM 1336 C TYR A 85 5.501 -7.347 -8.081 1.00 0.00 C ATOM 1337 O TYR A 85 5.949 -7.699 -9.154 1.00 0.00 O ATOM 1338 CB TYR A 85 6.061 -9.334 -6.674 1.00 0.00 C ATOM 1339 CG TYR A 85 6.300 -10.345 -7.774 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.104 -10.012 -8.871 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.717 -11.618 -7.697 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.325 -10.948 -9.889 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.940 -12.554 -8.713 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.743 -12.219 -9.810 1.00 0.00 C ATOM 1345 OH TYR A 85 6.962 -13.141 -10.811 1.00 0.00 O ATOM 0 H TYR A 85 3.577 -8.747 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 85 4.570 -7.869 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.978 -8.781 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.786 -9.845 -5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.554 -9.032 -8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.095 -11.876 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.944 -10.689 -10.735 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.493 -13.535 -8.651 1.00 0.00 H new ATOM 0 HH TYR A 85 6.487 -13.972 -10.600 1.00 0.00 H new ATOM 1355 N GLN A 86 5.459 -6.089 -7.752 1.00 0.00 N ATOM 1356 CA GLN A 86 5.975 -5.078 -8.721 1.00 0.00 C ATOM 1357 C GLN A 86 6.314 -3.763 -8.018 1.00 0.00 C ATOM 1358 O GLN A 86 5.738 -3.414 -7.008 1.00 0.00 O ATOM 1359 CB GLN A 86 4.909 -4.818 -9.787 1.00 0.00 C ATOM 1360 CG GLN A 86 5.303 -5.516 -11.090 1.00 0.00 C ATOM 1361 CD GLN A 86 6.577 -4.879 -11.648 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.475 -5.572 -12.081 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.689 -3.581 -11.658 1.00 0.00 N ATOM 0 H GLN A 86 5.098 -5.718 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 86 6.884 -5.469 -9.178 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.941 -5.185 -9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.802 -3.746 -9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.464 -6.579 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.495 -5.434 -11.817 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.933 -3.001 -11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.533 -3.145 -12.030 1.00 0.00 H new ATOM 1372 N VAL A 87 7.243 -3.027 -8.573 1.00 0.00 N ATOM 1373 CA VAL A 87 7.633 -1.721 -7.979 1.00 0.00 C ATOM 1374 C VAL A 87 6.817 -0.615 -8.655 1.00 0.00 C ATOM 1375 O VAL A 87 5.771 -0.868 -9.209 1.00 0.00 O ATOM 1376 CB VAL A 87 9.132 -1.493 -8.206 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.381 -1.007 -9.636 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.643 -0.449 -7.214 1.00 0.00 C ATOM 0 H VAL A 87 7.750 -3.281 -9.420 1.00 0.00 H new ATOM 0 HA VAL A 87 7.435 -1.713 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 87 9.662 -2.433 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.449 -0.848 -9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.023 -1.756 -10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.849 -0.070 -9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.709 -0.286 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.106 0.488 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.479 -0.803 -6.196 1.00 0.00 H new ATOM 1388 N ASP A 88 7.276 0.604 -8.624 1.00 0.00 N ATOM 1389 CA ASP A 88 6.504 1.687 -9.267 1.00 0.00 C ATOM 1390 C ASP A 88 7.328 2.334 -10.387 1.00 0.00 C ATOM 1391 O ASP A 88 8.127 1.689 -11.034 1.00 0.00 O ATOM 1392 CB ASP A 88 6.124 2.736 -8.217 1.00 0.00 C ATOM 1393 CG ASP A 88 7.314 3.663 -7.948 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.432 3.244 -8.198 1.00 0.00 O ATOM 1395 OD2 ASP A 88 7.087 4.774 -7.496 1.00 0.00 O ATOM 0 H ASP A 88 8.149 0.891 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 88 5.597 1.270 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.270 3.318 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.819 2.244 -7.293 1.00 0.00 H new ATOM 1400 N LYS A 89 7.126 3.609 -10.615 1.00 0.00 N ATOM 1401 CA LYS A 89 7.882 4.324 -11.687 1.00 0.00 C ATOM 1402 C LYS A 89 7.192 4.112 -13.037 1.00 0.00 C ATOM 1403 O LYS A 89 7.779 3.608 -13.972 1.00 0.00 O ATOM 1404 CB LYS A 89 9.318 3.801 -11.758 1.00 0.00 C ATOM 1405 CG LYS A 89 10.284 4.979 -11.889 1.00 0.00 C ATOM 1406 CD LYS A 89 10.658 5.172 -13.360 1.00 0.00 C ATOM 1407 CE LYS A 89 12.180 5.172 -13.506 1.00 0.00 C ATOM 1408 NZ LYS A 89 12.555 5.781 -14.814 1.00 0.00 N ATOM 0 H LYS A 89 6.464 4.188 -10.099 1.00 0.00 H new ATOM 0 HA LYS A 89 7.902 5.388 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.551 3.224 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.430 3.129 -12.609 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.823 5.886 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.180 4.796 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.225 4.375 -13.964 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.247 6.111 -13.730 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.634 5.732 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.562 4.153 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.590 5.781 -14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.133 5.229 -15.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.204 6.759 -14.855 1.00 0.00 H new ATOM 1422 N ASN A 90 5.952 4.503 -13.139 1.00 0.00 N ATOM 1423 CA ASN A 90 5.207 4.343 -14.422 1.00 0.00 C ATOM 1424 C ASN A 90 5.549 3.001 -15.072 1.00 0.00 C ATOM 1425 O ASN A 90 5.624 2.886 -16.279 1.00 0.00 O ATOM 1426 CB ASN A 90 5.579 5.482 -15.373 1.00 0.00 C ATOM 1427 CG ASN A 90 7.100 5.630 -15.417 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.652 6.538 -14.829 1.00 0.00 O ATOM 1429 ND2 ASN A 90 7.806 4.768 -16.094 1.00 0.00 N ATOM 0 H ASN A 90 5.417 4.930 -12.383 1.00 0.00 H new ATOM 0 HA ASN A 90 4.137 4.371 -14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.193 5.277 -16.372 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.121 6.413 -15.039 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.822 4.856 -16.130 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.343 4.005 -16.588 1.00 0.00 H new ATOM 1436 N LYS A 91 5.740 1.984 -14.283 1.00 0.00 N ATOM 1437 CA LYS A 91 6.057 0.645 -14.857 1.00 0.00 C ATOM 1438 C LYS A 91 4.819 -0.229 -14.763 1.00 0.00 C ATOM 1439 O LYS A 91 4.260 -0.652 -15.756 1.00 0.00 O ATOM 1440 CB LYS A 91 7.191 -0.010 -14.070 1.00 0.00 C ATOM 1441 CG LYS A 91 8.525 0.627 -14.448 1.00 0.00 C ATOM 1442 CD LYS A 91 9.541 0.330 -13.347 1.00 0.00 C ATOM 1443 CE LYS A 91 10.918 0.095 -13.973 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.877 -0.349 -12.920 1.00 0.00 N ATOM 0 H LYS A 91 5.691 2.020 -13.265 1.00 0.00 H new ATOM 0 HA LYS A 91 6.366 0.760 -15.896 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.015 0.103 -13.000 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.218 -1.080 -14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.875 0.232 -15.402 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.407 1.703 -14.573 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.586 1.163 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.233 -0.549 -12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.848 -0.659 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.276 1.011 -14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.812 -0.508 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.952 0.385 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.537 -1.233 -12.491 1.00 0.00 H new ATOM 1458 N ASP A 92 4.374 -0.491 -13.569 1.00 0.00 N ATOM 1459 CA ASP A 92 3.155 -1.322 -13.397 1.00 0.00 C ATOM 1460 C ASP A 92 1.937 -0.538 -13.897 1.00 0.00 C ATOM 1461 O ASP A 92 0.826 -1.032 -13.888 1.00 0.00 O ATOM 1462 CB ASP A 92 2.972 -1.663 -11.917 1.00 0.00 C ATOM 1463 CG ASP A 92 2.336 -3.048 -11.785 1.00 0.00 C ATOM 1464 OD1 ASP A 92 1.312 -3.270 -12.412 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.881 -3.861 -11.057 1.00 0.00 O ATOM 0 H ASP A 92 4.803 -0.165 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 92 3.257 -2.245 -13.968 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.935 -1.644 -11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.342 -0.915 -11.436 1.00 0.00 H new ATOM 1470 N ASP A 93 2.132 0.683 -14.334 1.00 0.00 N ATOM 1471 CA ASP A 93 0.981 1.487 -14.830 1.00 0.00 C ATOM 1472 C ASP A 93 0.269 0.727 -15.950 1.00 0.00 C ATOM 1473 O ASP A 93 0.776 0.599 -17.045 1.00 0.00 O ATOM 1474 CB ASP A 93 1.487 2.828 -15.365 1.00 0.00 C ATOM 1475 CG ASP A 93 0.357 3.860 -15.314 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.271 3.970 -14.274 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.142 4.525 -16.314 1.00 0.00 O ATOM 0 H ASP A 93 3.037 1.153 -14.367 1.00 0.00 H new ATOM 0 HA ASP A 93 0.283 1.662 -14.011 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.334 3.172 -14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.842 2.712 -16.389 1.00 0.00 H new