USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 722 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 57 ASN : amide:sc= -12.2! C(o=-12!,f=-15!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.2 X(o=-12,f=-13) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -143:sc= 0.0264 (180deg=-1.66!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -172:sc= -0.0785 (180deg=0.00475) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 151:sc= -0.364 (180deg=-1.83!) USER MOD Set 3.2: A 35 GLN : amide:sc= -5.77! C(o=-6.1!,f=-7.3!) USER MOD Single : A 8 MET CE :methyl 159:sc= -8.14! (180deg=-8.99!) USER MOD Single : A 15 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.21) USER MOD Single : A 17 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.04! K(o=-2!,f=-1) USER MOD Single : A 20 THR OG1 : rot -37:sc= 0.0185 USER MOD Single : A 28 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -48:sc= -0.332 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -13.8! C(o=-14!,f=-13!) USER MOD Single : A 66 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= -0.158 (180deg=-0.883) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0079) USER MOD Single : A 80 ASN : amide:sc= -0.475 K(o=-0.47,f=-4.4!) USER MOD Single : A 83 CYS SG : rot 103:sc= 1.18 USER MOD Single : A 85 MET CE :methyl 144:sc= -8! (180deg=-10.5!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot -16:sc= -3.94! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 97.291 -2.137 -13.258 1.00 0.00 N ATOM 90 CA ARG A 7 95.969 -2.496 -12.668 1.00 0.00 C ATOM 91 C ARG A 7 95.989 -2.251 -11.155 1.00 0.00 C ATOM 92 O ARG A 7 97.027 -2.018 -10.561 1.00 0.00 O ATOM 93 CB ARG A 7 95.673 -3.973 -12.941 1.00 0.00 C ATOM 94 CG ARG A 7 94.173 -4.158 -13.182 1.00 0.00 C ATOM 95 CD ARG A 7 93.932 -4.545 -14.643 1.00 0.00 C ATOM 96 NE ARG A 7 94.600 -5.848 -14.931 1.00 0.00 N ATOM 97 CZ ARG A 7 94.089 -6.962 -14.479 1.00 0.00 C ATOM 98 NH1 ARG A 7 92.990 -6.941 -13.771 1.00 0.00 N ATOM 99 NH2 ARG A 7 94.679 -8.098 -14.734 1.00 0.00 N ATOM 0 HA ARG A 7 95.195 -1.877 -13.121 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.236 -4.313 -13.810 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.994 -4.581 -12.095 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.781 -4.931 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.640 -3.237 -12.947 1.00 0.00 H new ATOM 0 HD2 ARG A 7 92.862 -4.622 -14.838 1.00 0.00 H new ATOM 0 HD3 ARG A 7 94.322 -3.771 -15.304 1.00 0.00 H new ATOM 0 HE ARG A 7 95.458 -5.869 -15.482 1.00 0.00 H new ATOM 0 HH11 ARG A 7 92.529 -6.053 -13.570 1.00 0.00 H new ATOM 0 HH12 ARG A 7 92.593 -7.812 -13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 7 95.537 -8.115 -15.285 1.00 0.00 H new ATOM 0 HH22 ARG A 7 94.282 -8.969 -14.382 1.00 0.00 H new ATOM 113 N MET A 8 94.846 -2.308 -10.524 1.00 0.00 N ATOM 114 CA MET A 8 94.791 -2.082 -9.053 1.00 0.00 C ATOM 115 C MET A 8 95.523 -3.215 -8.322 1.00 0.00 C ATOM 116 O MET A 8 96.169 -3.002 -7.316 1.00 0.00 O ATOM 117 CB MET A 8 93.329 -2.046 -8.597 1.00 0.00 C ATOM 118 CG MET A 8 93.215 -1.236 -7.303 1.00 0.00 C ATOM 119 SD MET A 8 93.961 -2.164 -5.940 1.00 0.00 S ATOM 120 CE MET A 8 92.983 -1.441 -4.599 1.00 0.00 C ATOM 0 H MET A 8 93.947 -2.502 -10.966 1.00 0.00 H new ATOM 0 HA MET A 8 95.273 -1.133 -8.819 1.00 0.00 H new ATOM 0 HB2 MET A 8 92.706 -1.601 -9.373 1.00 0.00 H new ATOM 0 HB3 MET A 8 92.962 -3.060 -8.437 1.00 0.00 H new ATOM 0 HG2 MET A 8 93.715 -0.274 -7.418 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.168 -1.027 -7.084 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.001 -2.107 -3.736 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.405 -0.475 -4.321 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.954 -1.305 -4.932 1.00 0.00 H new ATOM 130 N ARG A 9 95.419 -4.419 -8.816 1.00 0.00 N ATOM 131 CA ARG A 9 96.097 -5.571 -8.149 1.00 0.00 C ATOM 132 C ARG A 9 97.584 -5.265 -7.924 1.00 0.00 C ATOM 133 O ARG A 9 98.058 -5.300 -6.802 1.00 0.00 O ATOM 134 CB ARG A 9 95.965 -6.816 -9.028 1.00 0.00 C ATOM 135 CG ARG A 9 94.966 -7.785 -8.394 1.00 0.00 C ATOM 136 CD ARG A 9 95.580 -9.185 -8.330 1.00 0.00 C ATOM 137 NE ARG A 9 94.833 -10.095 -9.243 1.00 0.00 N ATOM 138 CZ ARG A 9 95.220 -11.334 -9.396 1.00 0.00 C ATOM 139 NH1 ARG A 9 96.263 -11.781 -8.750 1.00 0.00 N ATOM 140 NH2 ARG A 9 94.561 -12.127 -10.196 1.00 0.00 N ATOM 0 H ARG A 9 94.892 -4.657 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 9 95.623 -5.744 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.631 -6.535 -10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.935 -7.299 -9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.701 -7.447 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.045 -7.807 -8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 9 96.631 -9.147 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.542 -9.565 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 9 94.018 -9.750 -9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 9 96.778 -11.163 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 9 96.562 -12.748 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 9 93.745 -11.780 -10.701 1.00 0.00 H new ATOM 0 HH22 ARG A 9 94.861 -13.094 -10.317 1.00 0.00 H new ATOM 154 N PRO A 10 98.280 -4.979 -8.996 1.00 0.00 N ATOM 155 CA PRO A 10 99.720 -4.673 -8.945 1.00 0.00 C ATOM 156 C PRO A 10 99.979 -3.328 -8.262 1.00 0.00 C ATOM 157 O PRO A 10 100.966 -3.159 -7.576 1.00 0.00 O ATOM 158 CB PRO A 10 100.147 -4.662 -10.412 1.00 0.00 C ATOM 159 CG PRO A 10 98.863 -4.429 -11.229 1.00 0.00 C ATOM 160 CD PRO A 10 97.699 -4.919 -10.350 1.00 0.00 C ATOM 0 HA PRO A 10 100.285 -5.398 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.877 -3.874 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.619 -5.605 -10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.746 -3.374 -11.477 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.896 -4.976 -12.171 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.851 -4.235 -10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.337 -5.895 -10.673 1.00 0.00 H new ATOM 168 N TRP A 11 99.106 -2.370 -8.424 1.00 0.00 N ATOM 169 CA TRP A 11 99.338 -1.061 -7.752 1.00 0.00 C ATOM 170 C TRP A 11 99.410 -1.286 -6.238 1.00 0.00 C ATOM 171 O TRP A 11 100.248 -0.728 -5.553 1.00 0.00 O ATOM 172 CB TRP A 11 98.194 -0.099 -8.072 1.00 0.00 C ATOM 173 CG TRP A 11 98.441 1.208 -7.388 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.129 2.245 -7.920 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.020 1.634 -6.061 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.155 3.280 -7.002 1.00 0.00 N ATOM 177 CE2 TRP A 11 98.485 2.953 -5.843 1.00 0.00 C ATOM 178 CE3 TRP A 11 97.286 1.012 -5.036 1.00 0.00 C ATOM 179 CZ2 TRP A 11 98.232 3.631 -4.652 1.00 0.00 C ATOM 180 CZ3 TRP A 11 97.028 1.691 -3.834 1.00 0.00 C ATOM 181 CH2 TRP A 11 97.500 2.998 -3.644 1.00 0.00 C ATOM 0 H TRP A 11 98.256 -2.435 -8.983 1.00 0.00 H new ATOM 0 HA TRP A 11 100.273 -0.629 -8.109 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.119 0.050 -9.149 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.245 -0.522 -7.742 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.583 2.262 -8.900 1.00 0.00 H new ATOM 0 HE1 TRP A 11 99.614 4.176 -7.164 1.00 0.00 H new ATOM 0 HE3 TRP A 11 96.918 0.006 -5.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 98.598 4.637 -4.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 96.464 1.204 -3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 11 97.298 3.516 -2.718 1.00 0.00 H new ATOM 192 N LEU A 12 98.544 -2.113 -5.711 1.00 0.00 N ATOM 193 CA LEU A 12 98.565 -2.388 -4.250 1.00 0.00 C ATOM 194 C LEU A 12 99.784 -3.249 -3.930 1.00 0.00 C ATOM 195 O LEU A 12 100.549 -2.946 -3.041 1.00 0.00 O ATOM 196 CB LEU A 12 97.292 -3.142 -3.844 1.00 0.00 C ATOM 197 CG LEU A 12 96.739 -2.591 -2.520 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.885 -2.215 -1.575 1.00 0.00 C ATOM 199 CD2 LEU A 12 95.888 -1.351 -2.803 1.00 0.00 C ATOM 0 H LEU A 12 97.823 -2.609 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 12 98.614 -1.448 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.540 -3.046 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.509 -4.205 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 12 96.130 -3.361 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 12 97.475 -1.827 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.489 -3.098 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 12 98.507 -1.452 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.494 -0.958 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 12 96.502 -0.591 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 12 95.060 -1.620 -3.460 1.00 0.00 H new ATOM 211 N GLU A 13 99.976 -4.317 -4.653 1.00 0.00 N ATOM 212 CA GLU A 13 101.156 -5.181 -4.381 1.00 0.00 C ATOM 213 C GLU A 13 102.427 -4.340 -4.502 1.00 0.00 C ATOM 214 O GLU A 13 103.465 -4.684 -3.977 1.00 0.00 O ATOM 215 CB GLU A 13 101.200 -6.326 -5.394 1.00 0.00 C ATOM 216 CG GLU A 13 102.512 -7.097 -5.234 1.00 0.00 C ATOM 217 CD GLU A 13 102.659 -8.092 -6.386 1.00 0.00 C ATOM 218 OE1 GLU A 13 101.829 -8.981 -6.486 1.00 0.00 O ATOM 219 OE2 GLU A 13 103.599 -7.947 -7.149 1.00 0.00 O ATOM 0 H GLU A 13 99.372 -4.626 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 13 101.083 -5.597 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.352 -6.994 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.118 -5.933 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.355 -6.406 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.523 -7.624 -4.280 1.00 0.00 H new ATOM 226 N GLU A 14 102.348 -3.233 -5.191 1.00 0.00 N ATOM 227 CA GLU A 14 103.548 -2.363 -5.350 1.00 0.00 C ATOM 228 C GLU A 14 103.712 -1.487 -4.106 1.00 0.00 C ATOM 229 O GLU A 14 104.711 -1.554 -3.417 1.00 0.00 O ATOM 230 CB GLU A 14 103.372 -1.472 -6.582 1.00 0.00 C ATOM 231 CG GLU A 14 104.744 -1.013 -7.082 1.00 0.00 C ATOM 232 CD GLU A 14 105.092 0.339 -6.455 1.00 0.00 C ATOM 233 OE1 GLU A 14 105.463 0.352 -5.294 1.00 0.00 O ATOM 234 OE2 GLU A 14 104.980 1.337 -7.148 1.00 0.00 O ATOM 0 H GLU A 14 101.503 -2.894 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 14 104.434 -2.985 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 14 102.851 -2.019 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 14 102.756 -0.608 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.503 -1.752 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.737 -0.930 -8.169 1.00 0.00 H new ATOM 241 N GLN A 15 102.740 -0.667 -3.810 1.00 0.00 N ATOM 242 CA GLN A 15 102.852 0.207 -2.605 1.00 0.00 C ATOM 243 C GLN A 15 103.205 -0.656 -1.395 1.00 0.00 C ATOM 244 O GLN A 15 103.878 -0.224 -0.480 1.00 0.00 O ATOM 245 CB GLN A 15 101.517 0.914 -2.351 1.00 0.00 C ATOM 246 CG GLN A 15 101.086 1.671 -3.609 1.00 0.00 C ATOM 247 CD GLN A 15 102.047 2.835 -3.861 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.286 3.642 -2.984 1.00 0.00 O ATOM 249 NE2 GLN A 15 102.613 2.957 -5.031 1.00 0.00 N ATOM 0 H GLN A 15 101.878 -0.564 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 15 103.628 0.954 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 15 100.755 0.185 -2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.614 1.606 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.080 0.998 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.069 2.045 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.413 2.280 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.255 3.729 -5.209 1.00 0.00 H new ATOM 258 N ILE A 16 102.752 -1.876 -1.389 1.00 0.00 N ATOM 259 CA ILE A 16 103.052 -2.784 -0.246 1.00 0.00 C ATOM 260 C ILE A 16 104.492 -3.286 -0.354 1.00 0.00 C ATOM 261 O ILE A 16 105.317 -3.024 0.499 1.00 0.00 O ATOM 262 CB ILE A 16 102.096 -3.979 -0.282 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.652 -3.477 -0.336 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.288 -4.823 0.978 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.747 -4.588 -0.875 1.00 0.00 C ATOM 0 H ILE A 16 102.184 -2.287 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 16 102.926 -2.241 0.690 1.00 0.00 H new ATOM 0 HB ILE A 16 102.306 -4.584 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.323 -3.175 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.585 -2.596 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.608 -5.674 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.316 -5.182 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.077 -4.216 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.718 -4.232 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.072 -4.868 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.806 -5.456 -0.218 1.00 0.00 H new ATOM 277 N ASN A 17 104.803 -4.012 -1.394 1.00 0.00 N ATOM 278 CA ASN A 17 106.190 -4.534 -1.548 1.00 0.00 C ATOM 279 C ASN A 17 107.194 -3.406 -1.302 1.00 0.00 C ATOM 280 O ASN A 17 108.334 -3.644 -0.957 1.00 0.00 O ATOM 281 CB ASN A 17 106.380 -5.084 -2.963 1.00 0.00 C ATOM 282 CG ASN A 17 106.597 -6.597 -2.901 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.105 -7.110 -1.924 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.229 -7.339 -3.909 1.00 0.00 N ATOM 0 H ASN A 17 104.157 -4.265 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 17 106.355 -5.332 -0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.506 -4.857 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.234 -4.603 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.368 -8.349 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 17 105.802 -6.909 -4.730 1.00 0.00 H new ATOM 291 N SER A 18 106.784 -2.179 -1.479 1.00 0.00 N ATOM 292 CA SER A 18 107.725 -1.047 -1.256 1.00 0.00 C ATOM 293 C SER A 18 107.658 -0.596 0.203 1.00 0.00 C ATOM 294 O SER A 18 108.660 -0.259 0.802 1.00 0.00 O ATOM 295 CB SER A 18 107.348 0.121 -2.168 1.00 0.00 C ATOM 296 OG SER A 18 108.531 0.798 -2.576 1.00 0.00 O ATOM 0 H SER A 18 105.842 -1.913 -1.767 1.00 0.00 H new ATOM 0 HA SER A 18 108.739 -1.375 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 18 106.805 -0.244 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 18 106.684 0.808 -1.643 1.00 0.00 H new ATOM 0 HG SER A 18 108.294 1.547 -3.162 1.00 0.00 H new ATOM 302 N ASN A 19 106.489 -0.577 0.780 1.00 0.00 N ATOM 303 CA ASN A 19 106.374 -0.136 2.197 1.00 0.00 C ATOM 304 C ASN A 19 106.573 1.379 2.257 1.00 0.00 C ATOM 305 O ASN A 19 107.648 1.863 2.549 1.00 0.00 O ATOM 306 CB ASN A 19 107.451 -0.829 3.033 1.00 0.00 C ATOM 307 CG ASN A 19 106.978 -0.954 4.481 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.959 0.016 5.212 1.00 0.00 O ATOM 309 ND2 ASN A 19 106.591 -2.118 4.929 1.00 0.00 N ATOM 0 H ASN A 19 105.612 -0.847 0.334 1.00 0.00 H new ATOM 0 HA ASN A 19 105.392 -0.396 2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 19 107.664 -1.816 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.380 -0.260 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 19 106.272 -2.213 5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 19 106.607 -2.932 4.315 1.00 0.00 H new ATOM 316 N THR A 20 105.550 2.134 1.961 1.00 0.00 N ATOM 317 CA THR A 20 105.688 3.616 1.979 1.00 0.00 C ATOM 318 C THR A 20 105.082 4.193 3.263 1.00 0.00 C ATOM 319 O THR A 20 105.318 5.334 3.608 1.00 0.00 O ATOM 320 CB THR A 20 104.961 4.201 0.764 1.00 0.00 C ATOM 321 OG1 THR A 20 105.384 5.545 0.562 1.00 0.00 O ATOM 322 CG2 THR A 20 103.449 4.161 0.996 1.00 0.00 C ATOM 0 H THR A 20 104.625 1.787 1.708 1.00 0.00 H new ATOM 0 HA THR A 20 106.746 3.877 1.943 1.00 0.00 H new ATOM 0 HB THR A 20 105.199 3.610 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 20 105.519 5.979 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.937 4.578 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.131 3.129 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 20 103.201 4.747 1.881 1.00 0.00 H new ATOM 330 N ILE A 21 104.296 3.428 3.969 1.00 0.00 N ATOM 331 CA ILE A 21 103.679 3.962 5.219 1.00 0.00 C ATOM 332 C ILE A 21 103.762 2.912 6.333 1.00 0.00 C ATOM 333 O ILE A 21 103.593 1.732 6.085 1.00 0.00 O ATOM 334 CB ILE A 21 102.216 4.315 4.939 1.00 0.00 C ATOM 335 CG1 ILE A 21 102.164 5.474 3.946 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.516 4.735 6.232 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.136 5.161 2.863 1.00 0.00 C ATOM 0 H ILE A 21 104.055 2.464 3.739 1.00 0.00 H new ATOM 0 HA ILE A 21 104.215 4.854 5.542 1.00 0.00 H new ATOM 0 HB ILE A 21 101.711 3.441 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.898 6.398 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 21 103.146 5.629 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.476 4.983 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.553 3.915 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 21 102.019 5.607 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.095 5.985 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.422 4.247 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 21 100.156 5.027 3.320 1.00 0.00 H new ATOM 349 N PRO A 22 104.018 3.376 7.535 1.00 0.00 N ATOM 350 CA PRO A 22 104.134 2.500 8.713 1.00 0.00 C ATOM 351 C PRO A 22 102.754 1.995 9.125 1.00 0.00 C ATOM 352 O PRO A 22 102.145 2.490 10.052 1.00 0.00 O ATOM 353 CB PRO A 22 104.744 3.406 9.786 1.00 0.00 C ATOM 354 CG PRO A 22 104.436 4.857 9.353 1.00 0.00 C ATOM 355 CD PRO A 22 104.198 4.814 7.832 1.00 0.00 C ATOM 0 HA PRO A 22 104.741 1.612 8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.315 3.193 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.819 3.244 9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.558 5.240 9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.266 5.520 9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.318 5.392 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.043 5.231 7.284 1.00 0.00 H new ATOM 363 N GLY A 23 102.260 1.012 8.431 1.00 0.00 N ATOM 364 CA GLY A 23 100.920 0.462 8.756 1.00 0.00 C ATOM 365 C GLY A 23 100.431 -0.372 7.573 1.00 0.00 C ATOM 366 O GLY A 23 99.645 -1.286 7.726 1.00 0.00 O ATOM 0 H GLY A 23 102.732 0.563 7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 100.972 -0.152 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.220 1.271 8.963 1.00 0.00 H new ATOM 370 N LEU A 24 100.898 -0.067 6.392 1.00 0.00 N ATOM 371 CA LEU A 24 100.470 -0.842 5.201 1.00 0.00 C ATOM 372 C LEU A 24 101.665 -1.669 4.707 1.00 0.00 C ATOM 373 O LEU A 24 102.727 -1.140 4.453 1.00 0.00 O ATOM 374 CB LEU A 24 99.986 0.140 4.114 1.00 0.00 C ATOM 375 CG LEU A 24 100.555 -0.243 2.747 1.00 0.00 C ATOM 376 CD1 LEU A 24 100.064 -1.641 2.370 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.094 0.764 1.693 1.00 0.00 C ATOM 0 H LEU A 24 101.558 0.687 6.204 1.00 0.00 H new ATOM 0 HA LEU A 24 99.650 -1.517 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.897 0.137 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.293 1.154 4.370 1.00 0.00 H new ATOM 0 HG LEU A 24 101.644 -0.237 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.467 -1.918 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.399 -2.359 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.975 -1.645 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.502 0.486 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.005 0.765 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.445 1.760 1.963 1.00 0.00 H new ATOM 389 N LYS A 25 101.506 -2.958 4.567 1.00 0.00 N ATOM 390 CA LYS A 25 102.661 -3.781 4.083 1.00 0.00 C ATOM 391 C LYS A 25 102.260 -5.249 3.894 1.00 0.00 C ATOM 392 O LYS A 25 101.206 -5.682 4.318 1.00 0.00 O ATOM 393 CB LYS A 25 103.815 -3.706 5.090 1.00 0.00 C ATOM 394 CG LYS A 25 103.270 -3.435 6.490 1.00 0.00 C ATOM 395 CD LYS A 25 102.158 -4.435 6.807 1.00 0.00 C ATOM 396 CE LYS A 25 102.206 -4.797 8.291 1.00 0.00 C ATOM 397 NZ LYS A 25 102.631 -3.606 9.078 1.00 0.00 N ATOM 0 H LYS A 25 100.647 -3.472 4.761 1.00 0.00 H new ATOM 0 HA LYS A 25 102.975 -3.377 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.375 -4.641 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.509 -2.916 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.070 -3.519 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.886 -2.417 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.187 -4.007 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.277 -5.332 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.226 -5.137 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.901 -5.621 8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.218 -3.654 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.668 -3.590 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 102.304 -2.741 8.602 1.00 0.00 H new ATOM 411 N TRP A 26 103.113 -6.013 3.256 1.00 0.00 N ATOM 412 CA TRP A 26 102.824 -7.459 3.023 1.00 0.00 C ATOM 413 C TRP A 26 103.078 -8.246 4.310 1.00 0.00 C ATOM 414 O TRP A 26 104.203 -8.598 4.607 1.00 0.00 O ATOM 415 CB TRP A 26 103.779 -8.008 1.950 1.00 0.00 C ATOM 416 CG TRP A 26 103.278 -7.702 0.573 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.947 -6.966 -0.342 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.044 -8.130 -0.073 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.195 -6.898 -1.501 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.014 -7.601 -1.384 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.959 -8.911 0.351 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.942 -7.840 -2.245 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.877 -9.156 -0.511 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.869 -8.620 -1.807 1.00 0.00 C ATOM 0 H TRP A 26 104.006 -5.691 2.884 1.00 0.00 H new ATOM 0 HA TRP A 26 101.786 -7.562 2.706 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.770 -7.574 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.885 -9.086 2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.912 -6.506 -0.193 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.479 -6.390 -2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.955 -9.327 1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.942 -7.425 -3.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.047 -9.760 -0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.034 -8.810 -2.466 1.00 0.00 H new ATOM 435 N LEU A 27 102.064 -8.559 5.069 1.00 0.00 N ATOM 436 CA LEU A 27 102.320 -9.354 6.302 1.00 0.00 C ATOM 437 C LEU A 27 103.060 -10.616 5.879 1.00 0.00 C ATOM 438 O LEU A 27 103.953 -11.094 6.549 1.00 0.00 O ATOM 439 CB LEU A 27 101.003 -9.749 6.972 1.00 0.00 C ATOM 440 CG LEU A 27 100.045 -8.557 7.030 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.044 -8.792 8.161 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.822 -7.265 7.305 1.00 0.00 C ATOM 0 H LEU A 27 101.091 -8.306 4.895 1.00 0.00 H new ATOM 0 HA LEU A 27 102.902 -8.766 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.540 -10.567 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.198 -10.114 7.980 1.00 0.00 H new ATOM 0 HG LEU A 27 99.527 -8.460 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.353 -7.951 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.486 -9.708 7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.578 -8.885 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.129 -6.425 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.343 -7.350 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.548 -7.100 6.508 1.00 0.00 H new ATOM 454 N ASN A 28 102.685 -11.144 4.750 1.00 0.00 N ATOM 455 CA ASN A 28 103.337 -12.366 4.222 1.00 0.00 C ATOM 456 C ASN A 28 103.240 -12.335 2.696 1.00 0.00 C ATOM 457 O ASN A 28 102.372 -12.950 2.107 1.00 0.00 O ATOM 458 CB ASN A 28 102.620 -13.607 4.762 1.00 0.00 C ATOM 459 CG ASN A 28 103.638 -14.541 5.418 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.560 -15.744 5.270 1.00 0.00 O ATOM 461 ND2 ASN A 28 104.602 -14.034 6.141 1.00 0.00 N ATOM 0 H ASN A 28 101.940 -10.771 4.162 1.00 0.00 H new ATOM 0 HA ASN A 28 104.381 -12.403 4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.860 -13.314 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.106 -14.124 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 28 105.288 -14.649 6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 28 104.669 -13.024 6.266 1.00 0.00 H new ATOM 468 N LYS A 29 104.113 -11.607 2.052 1.00 0.00 N ATOM 469 CA LYS A 29 104.060 -11.529 0.566 1.00 0.00 C ATOM 470 C LYS A 29 104.250 -12.933 -0.008 1.00 0.00 C ATOM 471 O LYS A 29 103.789 -13.240 -1.089 1.00 0.00 O ATOM 472 CB LYS A 29 105.166 -10.594 0.055 1.00 0.00 C ATOM 473 CG LYS A 29 105.321 -10.746 -1.461 1.00 0.00 C ATOM 474 CD LYS A 29 104.173 -10.021 -2.163 1.00 0.00 C ATOM 475 CE LYS A 29 103.169 -11.045 -2.693 1.00 0.00 C ATOM 476 NZ LYS A 29 103.866 -11.993 -3.608 1.00 0.00 N ATOM 0 H LYS A 29 104.858 -11.065 2.490 1.00 0.00 H new ATOM 0 HA LYS A 29 103.096 -11.132 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.923 -9.561 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 29 106.108 -10.827 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.277 -10.334 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.320 -11.801 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.681 -9.340 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.559 -9.416 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.716 -11.589 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.361 -10.539 -3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 103.235 -12.241 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 104.728 -11.545 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 104.122 -12.855 -3.085 1.00 0.00 H new ATOM 490 N GLU A 30 104.912 -13.795 0.714 1.00 0.00 N ATOM 491 CA GLU A 30 105.115 -15.182 0.213 1.00 0.00 C ATOM 492 C GLU A 30 103.748 -15.813 -0.056 1.00 0.00 C ATOM 493 O GLU A 30 103.571 -16.559 -0.998 1.00 0.00 O ATOM 494 CB GLU A 30 105.862 -16.004 1.267 1.00 0.00 C ATOM 495 CG GLU A 30 105.756 -17.495 0.931 1.00 0.00 C ATOM 496 CD GLU A 30 107.092 -18.183 1.217 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.576 -18.054 2.329 1.00 0.00 O ATOM 498 OE2 GLU A 30 107.608 -18.826 0.318 1.00 0.00 O ATOM 0 H GLU A 30 105.320 -13.598 1.628 1.00 0.00 H new ATOM 0 HA GLU A 30 105.702 -15.163 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.909 -15.703 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.443 -15.813 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.965 -17.956 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 30 105.487 -17.623 -0.117 1.00 0.00 H new ATOM 505 N LYS A 31 102.778 -15.507 0.763 1.00 0.00 N ATOM 506 CA LYS A 31 101.417 -16.077 0.557 1.00 0.00 C ATOM 507 C LYS A 31 100.500 -14.998 -0.027 1.00 0.00 C ATOM 508 O LYS A 31 99.379 -15.268 -0.410 1.00 0.00 O ATOM 509 CB LYS A 31 100.860 -16.565 1.895 1.00 0.00 C ATOM 510 CG LYS A 31 101.634 -17.807 2.341 1.00 0.00 C ATOM 511 CD LYS A 31 100.910 -18.469 3.514 1.00 0.00 C ATOM 512 CE LYS A 31 100.707 -19.955 3.214 1.00 0.00 C ATOM 513 NZ LYS A 31 99.395 -20.398 3.764 1.00 0.00 N ATOM 0 H LYS A 31 102.870 -14.886 1.567 1.00 0.00 H new ATOM 0 HA LYS A 31 101.471 -16.918 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.946 -15.780 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.800 -16.798 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 31 101.723 -18.509 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 31 102.647 -17.531 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 31 101.490 -18.348 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.947 -17.986 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.739 -20.127 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 31 101.514 -20.540 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 99.257 -21.408 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 99.381 -20.247 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 98.630 -19.848 3.323 1.00 0.00 H new ATOM 527 N LYS A 32 100.983 -13.783 -0.115 1.00 0.00 N ATOM 528 CA LYS A 32 100.166 -12.674 -0.696 1.00 0.00 C ATOM 529 C LYS A 32 99.207 -12.079 0.342 1.00 0.00 C ATOM 530 O LYS A 32 98.034 -11.909 0.075 1.00 0.00 O ATOM 531 CB LYS A 32 99.357 -13.196 -1.883 1.00 0.00 C ATOM 532 CG LYS A 32 100.224 -14.135 -2.722 1.00 0.00 C ATOM 533 CD LYS A 32 100.054 -13.794 -4.202 1.00 0.00 C ATOM 534 CE LYS A 32 100.467 -12.340 -4.439 1.00 0.00 C ATOM 535 NZ LYS A 32 101.183 -12.233 -5.742 1.00 0.00 N ATOM 0 H LYS A 32 101.916 -13.511 0.194 1.00 0.00 H new ATOM 0 HA LYS A 32 100.851 -11.891 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.471 -13.723 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 32 99.010 -12.363 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 32 101.270 -14.038 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.938 -15.171 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.663 -14.461 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 32 99.017 -13.943 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 32 99.587 -11.697 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 32 101.111 -11.997 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 101.582 -11.278 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.951 -12.934 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 100.517 -12.413 -6.520 1.00 0.00 H new ATOM 549 N ILE A 33 99.684 -11.730 1.508 1.00 0.00 N ATOM 550 CA ILE A 33 98.767 -11.115 2.519 1.00 0.00 C ATOM 551 C ILE A 33 99.234 -9.697 2.828 1.00 0.00 C ATOM 552 O ILE A 33 100.323 -9.491 3.325 1.00 0.00 O ATOM 553 CB ILE A 33 98.765 -11.922 3.810 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.188 -13.314 3.540 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.894 -11.189 4.834 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.232 -14.166 2.816 1.00 0.00 C ATOM 0 H ILE A 33 100.654 -11.841 1.804 1.00 0.00 H new ATOM 0 HA ILE A 33 97.758 -11.103 2.106 1.00 0.00 H new ATOM 0 HB ILE A 33 99.780 -12.029 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.902 -13.789 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.285 -13.234 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.879 -11.751 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.304 -10.195 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.878 -11.098 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.822 -15.157 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.496 -13.692 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.123 -14.256 3.438 1.00 0.00 H new ATOM 568 N PHE A 34 98.431 -8.713 2.537 1.00 0.00 N ATOM 569 CA PHE A 34 98.861 -7.318 2.817 1.00 0.00 C ATOM 570 C PHE A 34 97.856 -6.632 3.741 1.00 0.00 C ATOM 571 O PHE A 34 96.669 -6.627 3.488 1.00 0.00 O ATOM 572 CB PHE A 34 98.973 -6.542 1.497 1.00 0.00 C ATOM 573 CG PHE A 34 97.600 -6.114 1.017 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.776 -7.016 0.327 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.154 -4.808 1.256 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.513 -6.608 -0.119 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.892 -4.402 0.810 1.00 0.00 C ATOM 578 CZ PHE A 34 95.072 -5.302 0.121 1.00 0.00 C ATOM 0 H PHE A 34 97.505 -8.813 2.122 1.00 0.00 H new ATOM 0 HA PHE A 34 99.833 -7.336 3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.606 -5.666 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.452 -7.165 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.116 -8.024 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.787 -4.112 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.878 -7.303 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.551 -3.395 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.098 -4.989 -0.226 1.00 0.00 H new ATOM 588 N GLN A 35 98.328 -6.043 4.806 1.00 0.00 N ATOM 589 CA GLN A 35 97.404 -5.349 5.741 1.00 0.00 C ATOM 590 C GLN A 35 97.585 -3.836 5.595 1.00 0.00 C ATOM 591 O GLN A 35 98.690 -3.342 5.478 1.00 0.00 O ATOM 592 CB GLN A 35 97.691 -5.809 7.188 1.00 0.00 C ATOM 593 CG GLN A 35 98.446 -4.729 7.976 1.00 0.00 C ATOM 594 CD GLN A 35 98.788 -5.253 9.373 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.238 -6.241 9.817 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.677 -4.623 10.093 1.00 0.00 N ATOM 0 H GLN A 35 99.314 -6.014 5.067 1.00 0.00 H new ATOM 0 HA GLN A 35 96.370 -5.599 5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.752 -6.040 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.278 -6.727 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.358 -4.451 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 35 97.836 -3.829 8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.139 -3.793 9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.909 -4.961 11.027 1.00 0.00 H new ATOM 605 N ILE A 36 96.510 -3.100 5.607 1.00 0.00 N ATOM 606 CA ILE A 36 96.620 -1.620 5.478 1.00 0.00 C ATOM 607 C ILE A 36 96.250 -1.006 6.836 1.00 0.00 C ATOM 608 O ILE A 36 95.526 -1.616 7.598 1.00 0.00 O ATOM 609 CB ILE A 36 95.646 -1.152 4.375 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.312 -1.301 3.007 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.241 0.315 4.557 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.239 -1.253 1.916 1.00 0.00 C ATOM 0 H ILE A 36 95.560 -3.459 5.701 1.00 0.00 H new ATOM 0 HA ILE A 36 97.629 -1.310 5.204 1.00 0.00 H new ATOM 0 HB ILE A 36 94.752 -1.772 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.039 -0.503 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.858 -2.243 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.555 0.605 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.750 0.440 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.129 0.945 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.709 -1.359 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.529 -2.066 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.713 -0.299 1.964 1.00 0.00 H new ATOM 624 N PRO A 37 96.762 0.173 7.107 1.00 0.00 N ATOM 625 CA PRO A 37 96.482 0.886 8.367 1.00 0.00 C ATOM 626 C PRO A 37 95.154 1.653 8.296 1.00 0.00 C ATOM 627 O PRO A 37 94.406 1.688 9.251 1.00 0.00 O ATOM 628 CB PRO A 37 97.649 1.851 8.498 1.00 0.00 C ATOM 629 CG PRO A 37 98.221 2.051 7.071 1.00 0.00 C ATOM 630 CD PRO A 37 97.690 0.888 6.210 1.00 0.00 C ATOM 0 HA PRO A 37 96.386 0.208 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.321 2.801 8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.410 1.450 9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.907 3.011 6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.311 2.053 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.181 1.252 5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.499 0.239 5.873 1.00 0.00 H new ATOM 638 N TRP A 38 94.834 2.255 7.181 1.00 0.00 N ATOM 639 CA TRP A 38 93.532 2.983 7.101 1.00 0.00 C ATOM 640 C TRP A 38 93.541 4.147 8.094 1.00 0.00 C ATOM 641 O TRP A 38 94.575 4.707 8.399 1.00 0.00 O ATOM 642 CB TRP A 38 92.426 2.001 7.470 1.00 0.00 C ATOM 643 CG TRP A 38 92.685 0.740 6.728 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.491 -0.259 7.140 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.174 0.346 5.434 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.512 -1.243 6.167 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.705 -0.916 5.099 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.306 0.961 4.534 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.386 -1.545 3.899 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.977 0.343 3.330 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.515 -0.912 3.006 1.00 0.00 C ATOM 0 H TRP A 38 95.405 2.275 6.336 1.00 0.00 H new ATOM 0 HA TRP A 38 93.371 3.377 6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.417 1.819 8.545 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.449 2.407 7.208 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.031 -0.287 8.075 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.057 -2.103 6.232 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.884 1.926 4.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.806 -2.511 3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.304 0.832 2.642 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.258 -1.387 2.071 1.00 0.00 H new ATOM 865 N ALA A 52 97.588 10.471 3.464 1.00 0.00 N ATOM 866 CA ALA A 52 98.038 11.592 2.587 1.00 0.00 C ATOM 867 C ALA A 52 98.762 11.099 1.314 1.00 0.00 C ATOM 868 O ALA A 52 98.584 11.677 0.260 1.00 0.00 O ATOM 869 CB ALA A 52 98.987 12.493 3.377 1.00 0.00 C ATOM 0 HA ALA A 52 97.148 12.135 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 52 99.320 13.315 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 52 98.468 12.894 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.850 11.914 3.704 1.00 0.00 H new ATOM 875 N PRO A 53 99.602 10.093 1.445 1.00 0.00 N ATOM 876 CA PRO A 53 100.401 9.586 0.308 1.00 0.00 C ATOM 877 C PRO A 53 99.578 8.765 -0.702 1.00 0.00 C ATOM 878 O PRO A 53 98.955 9.314 -1.588 1.00 0.00 O ATOM 879 CB PRO A 53 101.485 8.737 0.983 1.00 0.00 C ATOM 880 CG PRO A 53 100.931 8.343 2.372 1.00 0.00 C ATOM 881 CD PRO A 53 99.832 9.366 2.712 1.00 0.00 C ATOM 0 HA PRO A 53 100.803 10.399 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.710 7.851 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.414 9.299 1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.527 7.331 2.355 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.721 8.358 3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 53 98.923 8.873 3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.150 10.042 3.506 1.00 0.00 H new ATOM 889 N LEU A 54 99.615 7.460 -0.620 1.00 0.00 N ATOM 890 CA LEU A 54 98.879 6.633 -1.626 1.00 0.00 C ATOM 891 C LEU A 54 97.400 7.018 -1.702 1.00 0.00 C ATOM 892 O LEU A 54 96.724 6.698 -2.660 1.00 0.00 O ATOM 893 CB LEU A 54 99.038 5.137 -1.315 1.00 0.00 C ATOM 894 CG LEU A 54 98.267 4.726 -0.054 1.00 0.00 C ATOM 895 CD1 LEU A 54 98.592 5.669 1.099 1.00 0.00 C ATOM 896 CD2 LEU A 54 96.761 4.741 -0.316 1.00 0.00 C ATOM 0 H LEU A 54 100.119 6.933 0.094 1.00 0.00 H new ATOM 0 HA LEU A 54 99.318 6.834 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 54 98.684 4.551 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 54 100.095 4.904 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 54 98.571 3.714 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 98.037 5.364 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 54 99.661 5.632 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 54 98.311 6.686 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 54 96.231 4.447 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.452 5.745 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 54 96.524 4.042 -1.118 1.00 0.00 H new ATOM 908 N PHE A 55 96.887 7.721 -0.736 1.00 0.00 N ATOM 909 CA PHE A 55 95.462 8.133 -0.822 1.00 0.00 C ATOM 910 C PHE A 55 95.427 9.325 -1.774 1.00 0.00 C ATOM 911 O PHE A 55 94.565 9.440 -2.623 1.00 0.00 O ATOM 912 CB PHE A 55 94.952 8.511 0.574 1.00 0.00 C ATOM 913 CG PHE A 55 93.903 9.598 0.483 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.293 10.934 0.339 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.545 9.267 0.540 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.324 11.940 0.252 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.576 10.272 0.452 1.00 0.00 C ATOM 918 CZ PHE A 55 91.964 11.610 0.308 1.00 0.00 C ATOM 0 H PHE A 55 97.385 8.026 0.100 1.00 0.00 H new ATOM 0 HA PHE A 55 94.819 7.333 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.531 7.633 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 55 95.784 8.852 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.342 11.189 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.245 8.236 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.625 12.971 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.528 10.016 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.216 12.386 0.240 1.00 0.00 H new ATOM 928 N ARG A 56 96.403 10.184 -1.664 1.00 0.00 N ATOM 929 CA ARG A 56 96.491 11.341 -2.587 1.00 0.00 C ATOM 930 C ARG A 56 96.867 10.794 -3.966 1.00 0.00 C ATOM 931 O ARG A 56 96.714 11.451 -4.976 1.00 0.00 O ATOM 932 CB ARG A 56 97.581 12.303 -2.102 1.00 0.00 C ATOM 933 CG ARG A 56 97.791 13.405 -3.142 1.00 0.00 C ATOM 934 CD ARG A 56 99.165 13.240 -3.794 1.00 0.00 C ATOM 935 NE ARG A 56 100.155 14.105 -3.091 1.00 0.00 N ATOM 936 CZ ARG A 56 101.435 13.927 -3.281 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.855 12.990 -4.088 1.00 0.00 N ATOM 938 NH2 ARG A 56 102.298 14.686 -2.662 1.00 0.00 N ATOM 0 H ARG A 56 97.147 10.130 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 56 95.544 11.879 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.295 12.741 -1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.512 11.761 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 56 97.009 13.357 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.717 14.384 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.479 12.197 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 56 99.114 13.510 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 56 99.832 14.838 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 101.183 12.395 -4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.855 12.853 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 56 101.973 15.418 -2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.298 14.547 -2.810 1.00 0.00 H new ATOM 952 N ASN A 57 97.347 9.574 -4.003 1.00 0.00 N ATOM 953 CA ASN A 57 97.727 8.938 -5.289 1.00 0.00 C ATOM 954 C ASN A 57 96.441 8.646 -6.088 1.00 0.00 C ATOM 955 O ASN A 57 96.483 8.245 -7.233 1.00 0.00 O ATOM 956 CB ASN A 57 98.496 7.644 -4.961 1.00 0.00 C ATOM 957 CG ASN A 57 98.172 6.555 -5.974 1.00 0.00 C ATOM 958 OD1 ASN A 57 98.839 6.412 -6.978 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.169 5.771 -5.733 1.00 0.00 N ATOM 0 H ASN A 57 97.491 8.989 -3.180 1.00 0.00 H new ATOM 0 HA ASN A 57 98.363 9.585 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.568 7.842 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.236 7.304 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.934 5.026 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.614 5.898 -4.887 1.00 0.00 H new ATOM 966 N TRP A 58 95.303 8.846 -5.474 1.00 0.00 N ATOM 967 CA TRP A 58 93.999 8.589 -6.157 1.00 0.00 C ATOM 968 C TRP A 58 93.823 9.522 -7.365 1.00 0.00 C ATOM 969 O TRP A 58 94.248 9.222 -8.462 1.00 0.00 O ATOM 970 CB TRP A 58 92.865 8.847 -5.160 1.00 0.00 C ATOM 971 CG TRP A 58 92.445 7.573 -4.497 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.290 7.410 -3.815 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.142 6.296 -4.429 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.228 6.114 -3.342 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.346 5.388 -3.693 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.371 5.836 -4.929 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.755 4.076 -3.462 1.00 0.00 C ATOM 978 CZ3 TRP A 58 94.786 4.516 -4.699 1.00 0.00 C ATOM 979 CH2 TRP A 58 93.979 3.638 -3.966 1.00 0.00 C ATOM 0 H TRP A 58 95.221 9.181 -4.514 1.00 0.00 H new ATOM 0 HA TRP A 58 93.980 7.557 -6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.192 9.564 -4.407 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.014 9.292 -5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.537 8.170 -3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.450 5.740 -2.799 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.002 6.504 -5.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.128 3.403 -2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 95.733 4.175 -5.090 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.304 2.623 -3.791 1.00 0.00 H new ATOM 990 N ALA A 59 93.172 10.642 -7.165 1.00 0.00 N ATOM 991 CA ALA A 59 92.921 11.602 -8.281 1.00 0.00 C ATOM 992 C ALA A 59 94.107 11.661 -9.253 1.00 0.00 C ATOM 993 O ALA A 59 93.943 11.981 -10.414 1.00 0.00 O ATOM 994 CB ALA A 59 92.671 12.992 -7.695 1.00 0.00 C ATOM 0 H ALA A 59 92.799 10.934 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 59 92.049 11.260 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.487 13.700 -8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 59 91.803 12.959 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.545 13.310 -7.127 1.00 0.00 H new ATOM 1000 N ILE A 60 95.296 11.376 -8.803 1.00 0.00 N ATOM 1001 CA ILE A 60 96.464 11.443 -9.727 1.00 0.00 C ATOM 1002 C ILE A 60 96.658 10.096 -10.438 1.00 0.00 C ATOM 1003 O ILE A 60 96.355 9.950 -11.605 1.00 0.00 O ATOM 1004 CB ILE A 60 97.723 11.792 -8.928 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.698 13.280 -8.569 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.968 11.501 -9.768 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.046 13.463 -7.199 1.00 0.00 C ATOM 0 H ILE A 60 95.510 11.102 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 60 96.281 12.212 -10.478 1.00 0.00 H new ATOM 0 HB ILE A 60 97.750 11.190 -8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 60 98.712 13.679 -8.557 1.00 0.00 H new ATOM 0 HG13 ILE A 60 97.145 13.838 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.861 11.751 -9.194 1.00 0.00 H new ATOM 0 HG22 ILE A 60 98.990 10.443 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.941 12.101 -10.678 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.028 14.522 -6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 60 96.026 13.079 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 60 97.618 12.918 -6.448 1.00 0.00 H new ATOM 1019 N HIS A 61 97.179 9.119 -9.747 1.00 0.00 N ATOM 1020 CA HIS A 61 97.417 7.790 -10.383 1.00 0.00 C ATOM 1021 C HIS A 61 96.126 7.250 -11.005 1.00 0.00 C ATOM 1022 O HIS A 61 96.042 7.055 -12.202 1.00 0.00 O ATOM 1023 CB HIS A 61 97.917 6.806 -9.327 1.00 0.00 C ATOM 1024 CG HIS A 61 98.061 5.441 -9.939 1.00 0.00 C ATOM 1025 ND1 HIS A 61 99.231 5.030 -10.557 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.192 4.384 -10.036 1.00 0.00 C ATOM 1027 CE1 HIS A 61 99.036 3.773 -10.995 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.810 3.330 -10.703 1.00 0.00 N ATOM 0 H HIS A 61 97.451 9.183 -8.766 1.00 0.00 H new ATOM 0 HA HIS A 61 98.163 7.907 -11.169 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.875 7.140 -8.929 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.219 6.769 -8.490 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.182 4.371 -9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.781 3.192 -11.519 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.412 2.416 -10.922 1.00 0.00 H new ATOM 1036 N THR A 62 95.126 6.991 -10.204 1.00 0.00 N ATOM 1037 CA THR A 62 93.847 6.447 -10.750 1.00 0.00 C ATOM 1038 C THR A 62 93.501 7.145 -12.067 1.00 0.00 C ATOM 1039 O THR A 62 93.032 6.528 -13.002 1.00 0.00 O ATOM 1040 CB THR A 62 92.719 6.672 -9.741 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.548 8.065 -9.521 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.067 5.981 -8.421 1.00 0.00 C ATOM 0 H THR A 62 95.140 7.133 -9.194 1.00 0.00 H new ATOM 0 HA THR A 62 93.965 5.379 -10.932 1.00 0.00 H new ATOM 0 HB THR A 62 91.793 6.253 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.420 8.479 -9.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.263 6.142 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.192 4.912 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.994 6.396 -8.026 1.00 0.00 H new ATOM 1050 N GLY A 63 93.731 8.426 -12.153 1.00 0.00 N ATOM 1051 CA GLY A 63 93.417 9.155 -13.415 1.00 0.00 C ATOM 1052 C GLY A 63 92.023 9.779 -13.315 1.00 0.00 C ATOM 1053 O GLY A 63 91.242 9.727 -14.243 1.00 0.00 O ATOM 0 H GLY A 63 94.122 8.999 -11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.162 9.931 -13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.460 8.471 -14.262 1.00 0.00 H new ATOM 1057 N LYS A 64 91.706 10.370 -12.197 1.00 0.00 N ATOM 1058 CA LYS A 64 90.364 10.998 -12.041 1.00 0.00 C ATOM 1059 C LYS A 64 90.536 12.496 -11.790 1.00 0.00 C ATOM 1060 O LYS A 64 89.610 13.180 -11.402 1.00 0.00 O ATOM 1061 CB LYS A 64 89.634 10.367 -10.854 1.00 0.00 C ATOM 1062 CG LYS A 64 89.862 8.854 -10.857 1.00 0.00 C ATOM 1063 CD LYS A 64 88.516 8.133 -10.961 1.00 0.00 C ATOM 1064 CE LYS A 64 88.695 6.828 -11.739 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.416 6.062 -11.729 1.00 0.00 N ATOM 0 H LYS A 64 92.318 10.445 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 64 89.782 10.839 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 64 89.996 10.798 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.568 10.584 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 90.502 8.574 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 64 90.379 8.552 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.125 7.924 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.788 8.771 -11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.995 7.042 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 64 89.491 6.232 -11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.538 5.175 -12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 87.149 5.846 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 86.668 6.630 -12.174 1.00 0.00 H new ATOM 1079 N HIS A 65 91.715 13.010 -12.003 1.00 0.00 N ATOM 1080 CA HIS A 65 91.941 14.463 -11.768 1.00 0.00 C ATOM 1081 C HIS A 65 93.419 14.795 -12.017 1.00 0.00 C ATOM 1082 O HIS A 65 94.255 13.922 -12.142 1.00 0.00 O ATOM 1083 CB HIS A 65 91.544 14.796 -10.315 1.00 0.00 C ATOM 1084 CG HIS A 65 92.462 15.842 -9.730 1.00 0.00 C ATOM 1085 ND1 HIS A 65 92.081 17.167 -9.589 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.748 15.767 -9.252 1.00 0.00 C ATOM 1087 CE1 HIS A 65 93.119 17.830 -9.047 1.00 0.00 C ATOM 1088 NE2 HIS A 65 94.161 17.025 -8.822 1.00 0.00 N ATOM 0 H HIS A 65 92.529 12.489 -12.328 1.00 0.00 H new ATOM 0 HA HIS A 65 91.334 15.059 -12.450 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.515 15.154 -10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.583 13.892 -9.707 1.00 0.00 H new ATOM 0 HD1 HIS A 65 91.179 17.566 -9.849 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.347 14.869 -9.215 1.00 0.00 H new ATOM 0 HE1 HIS A 65 93.111 18.886 -8.821 1.00 0.00 H new ATOM 1096 N GLN A 66 93.741 16.059 -12.078 1.00 0.00 N ATOM 1097 CA GLN A 66 95.156 16.468 -12.301 1.00 0.00 C ATOM 1098 C GLN A 66 95.437 17.735 -11.487 1.00 0.00 C ATOM 1099 O GLN A 66 94.562 18.560 -11.308 1.00 0.00 O ATOM 1100 CB GLN A 66 95.382 16.752 -13.790 1.00 0.00 C ATOM 1101 CG GLN A 66 96.380 15.740 -14.357 1.00 0.00 C ATOM 1102 CD GLN A 66 95.705 14.913 -15.451 1.00 0.00 C ATOM 1103 OE1 GLN A 66 95.938 13.726 -15.563 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.871 15.494 -16.270 1.00 0.00 N ATOM 0 H GLN A 66 93.080 16.830 -11.982 1.00 0.00 H new ATOM 0 HA GLN A 66 95.827 15.669 -11.986 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.438 16.689 -14.330 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.760 17.766 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 66 97.249 16.259 -14.763 1.00 0.00 H new ATOM 0 HG3 GLN A 66 96.741 15.086 -13.563 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.675 16.491 -16.176 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.415 14.951 -17.004 1.00 0.00 H new ATOM 1113 N PRO A 67 96.648 17.849 -11.008 1.00 0.00 N ATOM 1114 CA PRO A 67 97.074 19.002 -10.197 1.00 0.00 C ATOM 1115 C PRO A 67 97.332 20.217 -11.091 1.00 0.00 C ATOM 1116 O PRO A 67 97.486 21.327 -10.619 1.00 0.00 O ATOM 1117 CB PRO A 67 98.369 18.519 -9.538 1.00 0.00 C ATOM 1118 CG PRO A 67 98.905 17.368 -10.423 1.00 0.00 C ATOM 1119 CD PRO A 67 97.705 16.842 -11.234 1.00 0.00 C ATOM 0 HA PRO A 67 96.325 19.316 -9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.096 19.328 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.182 18.173 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.694 17.724 -11.085 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.336 16.576 -9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.949 16.751 -12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.395 15.855 -10.892 1.00 0.00 H new ATOM 1127 N GLY A 68 97.377 20.015 -12.377 1.00 0.00 N ATOM 1128 CA GLY A 68 97.619 21.156 -13.301 1.00 0.00 C ATOM 1129 C GLY A 68 96.353 21.428 -14.116 1.00 0.00 C ATOM 1130 O GLY A 68 96.344 22.251 -15.010 1.00 0.00 O ATOM 0 H GLY A 68 97.257 19.108 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.898 22.044 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.451 20.929 -13.967 1.00 0.00 H new ATOM 1134 N ILE A 69 95.284 20.740 -13.818 1.00 0.00 N ATOM 1135 CA ILE A 69 94.024 20.956 -14.582 1.00 0.00 C ATOM 1136 C ILE A 69 92.823 20.926 -13.632 1.00 0.00 C ATOM 1137 O ILE A 69 92.306 21.952 -13.236 1.00 0.00 O ATOM 1138 CB ILE A 69 93.875 19.846 -15.625 1.00 0.00 C ATOM 1139 CG1 ILE A 69 94.905 20.056 -16.737 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.465 19.884 -16.219 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.743 18.785 -16.904 1.00 0.00 C ATOM 0 H ILE A 69 95.230 20.039 -13.079 1.00 0.00 H new ATOM 0 HA ILE A 69 94.063 21.927 -15.075 1.00 0.00 H new ATOM 0 HB ILE A 69 94.040 18.878 -15.152 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.401 20.298 -17.673 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.550 20.901 -16.495 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.361 19.093 -16.961 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.732 19.736 -15.426 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.296 20.851 -16.693 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.477 18.934 -17.696 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.258 18.563 -15.969 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.091 17.951 -17.166 1.00 0.00 H new ATOM 1153 N ASP A 70 92.370 19.756 -13.275 1.00 0.00 N ATOM 1154 CA ASP A 70 91.194 19.653 -12.363 1.00 0.00 C ATOM 1155 C ASP A 70 91.593 20.051 -10.938 1.00 0.00 C ATOM 1156 O ASP A 70 92.760 20.163 -10.617 1.00 0.00 O ATOM 1157 CB ASP A 70 90.681 18.212 -12.368 1.00 0.00 C ATOM 1158 CG ASP A 70 89.225 18.184 -11.900 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.587 19.223 -11.949 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.773 17.124 -11.500 1.00 0.00 O ATOM 0 H ASP A 70 92.764 18.864 -13.576 1.00 0.00 H new ATOM 0 HA ASP A 70 90.410 20.327 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.760 17.791 -13.370 1.00 0.00 H new ATOM 0 HB3 ASP A 70 91.296 17.594 -11.714 1.00 0.00 H new ATOM 1165 N LYS A 71 90.628 20.269 -10.084 1.00 0.00 N ATOM 1166 CA LYS A 71 90.942 20.665 -8.680 1.00 0.00 C ATOM 1167 C LYS A 71 91.077 19.412 -7.807 1.00 0.00 C ATOM 1168 O LYS A 71 90.466 18.399 -8.079 1.00 0.00 O ATOM 1169 CB LYS A 71 89.816 21.544 -8.129 1.00 0.00 C ATOM 1170 CG LYS A 71 90.032 22.991 -8.576 1.00 0.00 C ATOM 1171 CD LYS A 71 89.787 23.104 -10.081 1.00 0.00 C ATOM 1172 CE LYS A 71 88.315 22.823 -10.384 1.00 0.00 C ATOM 1173 NZ LYS A 71 88.076 22.955 -11.849 1.00 0.00 N ATOM 0 H LYS A 71 89.634 20.190 -10.299 1.00 0.00 H new ATOM 0 HA LYS A 71 91.880 21.221 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.851 21.183 -8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 71 89.796 21.488 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 71 89.356 23.654 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 71 91.047 23.308 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 71 90.056 24.101 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 71 90.420 22.397 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 71 88.049 21.820 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.680 23.520 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.075 22.764 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 88.315 23.920 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 88.672 22.273 -12.361 1.00 0.00 H new ATOM 1187 N PRO A 72 91.876 19.527 -6.777 1.00 0.00 N ATOM 1188 CA PRO A 72 92.120 18.423 -5.833 1.00 0.00 C ATOM 1189 C PRO A 72 90.941 18.282 -4.867 1.00 0.00 C ATOM 1190 O PRO A 72 90.726 19.115 -4.008 1.00 0.00 O ATOM 1191 CB PRO A 72 93.388 18.857 -5.092 1.00 0.00 C ATOM 1192 CG PRO A 72 93.473 20.396 -5.239 1.00 0.00 C ATOM 1193 CD PRO A 72 92.609 20.770 -6.457 1.00 0.00 C ATOM 0 HA PRO A 72 92.231 17.455 -6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 72 93.342 18.569 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 72 94.270 18.377 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 72 93.109 20.892 -4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.505 20.715 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.926 21.587 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 72 93.223 21.097 -7.296 1.00 0.00 H new ATOM 1201 N ASP A 73 90.173 17.238 -5.004 1.00 0.00 N ATOM 1202 CA ASP A 73 89.006 17.047 -4.099 1.00 0.00 C ATOM 1203 C ASP A 73 89.163 15.733 -3.325 1.00 0.00 C ATOM 1204 O ASP A 73 88.886 14.673 -3.852 1.00 0.00 O ATOM 1205 CB ASP A 73 87.724 16.993 -4.931 1.00 0.00 C ATOM 1206 CG ASP A 73 87.233 18.415 -5.206 1.00 0.00 C ATOM 1207 OD1 ASP A 73 88.067 19.273 -5.440 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.031 18.621 -5.178 1.00 0.00 O ATOM 0 H ASP A 73 90.303 16.508 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 73 88.954 17.878 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.910 16.473 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.957 16.429 -4.400 1.00 0.00 H new ATOM 1213 N PRO A 74 89.596 15.841 -2.094 1.00 0.00 N ATOM 1214 CA PRO A 74 89.792 14.672 -1.221 1.00 0.00 C ATOM 1215 C PRO A 74 88.444 14.181 -0.687 1.00 0.00 C ATOM 1216 O PRO A 74 88.362 13.176 -0.008 1.00 0.00 O ATOM 1217 CB PRO A 74 90.671 15.209 -0.088 1.00 0.00 C ATOM 1218 CG PRO A 74 90.463 16.741 -0.066 1.00 0.00 C ATOM 1219 CD PRO A 74 89.929 17.133 -1.458 1.00 0.00 C ATOM 0 HA PRO A 74 90.245 13.823 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.389 14.765 0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.719 14.961 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.757 17.025 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 74 91.399 17.256 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 74 89.053 17.777 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.677 17.679 -2.033 1.00 0.00 H new ATOM 1227 N LYS A 75 87.385 14.881 -0.992 1.00 0.00 N ATOM 1228 CA LYS A 75 86.041 14.456 -0.509 1.00 0.00 C ATOM 1229 C LYS A 75 85.642 13.155 -1.207 1.00 0.00 C ATOM 1230 O LYS A 75 85.025 12.288 -0.621 1.00 0.00 O ATOM 1231 CB LYS A 75 85.016 15.544 -0.835 1.00 0.00 C ATOM 1232 CG LYS A 75 84.678 16.324 0.437 1.00 0.00 C ATOM 1233 CD LYS A 75 83.711 15.508 1.297 1.00 0.00 C ATOM 1234 CE LYS A 75 83.658 16.101 2.707 1.00 0.00 C ATOM 1235 NZ LYS A 75 84.984 15.936 3.365 1.00 0.00 N ATOM 0 H LYS A 75 87.393 15.731 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 75 86.072 14.298 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.414 16.219 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.113 15.096 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 75 85.588 16.537 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 75 84.230 17.284 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 75 82.717 15.514 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.035 14.468 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.393 17.157 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 75 82.885 15.604 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 84.854 15.862 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 85.442 15.072 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 85.583 16.758 3.150 1.00 0.00 H new ATOM 1249 N THR A 76 85.994 13.011 -2.456 1.00 0.00 N ATOM 1250 CA THR A 76 85.642 11.765 -3.191 1.00 0.00 C ATOM 1251 C THR A 76 86.794 10.767 -3.068 1.00 0.00 C ATOM 1252 O THR A 76 86.586 9.574 -2.959 1.00 0.00 O ATOM 1253 CB THR A 76 85.403 12.091 -4.667 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.336 13.501 -4.834 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.088 11.459 -5.126 1.00 0.00 C ATOM 0 H THR A 76 86.510 13.703 -2.998 1.00 0.00 H new ATOM 0 HA THR A 76 84.736 11.333 -2.767 1.00 0.00 H new ATOM 0 HB THR A 76 86.223 11.692 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.185 13.712 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 76 83.920 11.692 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.140 10.378 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.266 11.856 -4.530 1.00 0.00 H new ATOM 1263 N TRP A 77 88.007 11.246 -3.079 1.00 0.00 N ATOM 1264 CA TRP A 77 89.172 10.326 -2.957 1.00 0.00 C ATOM 1265 C TRP A 77 88.899 9.312 -1.843 1.00 0.00 C ATOM 1266 O TRP A 77 89.418 8.214 -1.848 1.00 0.00 O ATOM 1267 CB TRP A 77 90.426 11.133 -2.609 1.00 0.00 C ATOM 1268 CG TRP A 77 90.666 12.170 -3.659 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.958 12.295 -4.805 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.667 13.227 -3.678 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.462 13.362 -5.527 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.517 13.969 -4.873 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.682 13.610 -2.783 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.343 15.052 -5.170 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.517 14.702 -3.079 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.347 15.421 -4.270 1.00 0.00 C ATOM 0 H TRP A 77 88.242 12.235 -3.167 1.00 0.00 H new ATOM 0 HA TRP A 77 89.325 9.804 -3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.306 11.608 -1.636 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.288 10.470 -2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.134 11.665 -5.107 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.099 13.664 -6.431 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.821 13.062 -1.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.208 15.602 -6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.293 14.988 -2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.991 16.259 -4.492 1.00 0.00 H new ATOM 1287 N LYS A 78 88.093 9.679 -0.883 1.00 0.00 N ATOM 1288 CA LYS A 78 87.788 8.745 0.241 1.00 0.00 C ATOM 1289 C LYS A 78 86.933 7.580 -0.265 1.00 0.00 C ATOM 1290 O LYS A 78 87.257 6.428 -0.059 1.00 0.00 O ATOM 1291 CB LYS A 78 87.023 9.497 1.332 1.00 0.00 C ATOM 1292 CG LYS A 78 87.214 8.784 2.672 1.00 0.00 C ATOM 1293 CD LYS A 78 87.729 9.779 3.714 1.00 0.00 C ATOM 1294 CE LYS A 78 86.664 9.986 4.794 1.00 0.00 C ATOM 1295 NZ LYS A 78 85.513 10.738 4.219 1.00 0.00 N ATOM 0 H LYS A 78 87.631 10.587 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 78 88.722 8.355 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 78 87.381 10.524 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 78 85.963 9.545 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 78 86.270 8.351 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 78 87.920 7.961 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 78 88.650 9.407 4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.968 10.730 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 78 86.328 9.023 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 78 87.086 10.534 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 84.812 10.923 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 85.849 11.641 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 85.074 10.175 3.463 1.00 0.00 H new ATOM 1309 N ALA A 79 85.839 7.869 -0.915 1.00 0.00 N ATOM 1310 CA ALA A 79 84.963 6.774 -1.424 1.00 0.00 C ATOM 1311 C ALA A 79 85.682 6.019 -2.542 1.00 0.00 C ATOM 1312 O ALA A 79 85.330 4.906 -2.880 1.00 0.00 O ATOM 1313 CB ALA A 79 83.662 7.369 -1.966 1.00 0.00 C ATOM 0 H ALA A 79 85.514 8.815 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 79 84.736 6.086 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.023 6.568 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.147 7.904 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 79 83.888 8.059 -2.779 1.00 0.00 H new ATOM 1319 N ASN A 80 86.688 6.613 -3.118 1.00 0.00 N ATOM 1320 CA ASN A 80 87.427 5.927 -4.213 1.00 0.00 C ATOM 1321 C ASN A 80 88.332 4.850 -3.613 1.00 0.00 C ATOM 1322 O ASN A 80 88.849 4.000 -4.310 1.00 0.00 O ATOM 1323 CB ASN A 80 88.277 6.949 -4.969 1.00 0.00 C ATOM 1324 CG ASN A 80 87.362 7.986 -5.626 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.597 9.173 -5.523 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.319 7.582 -6.299 1.00 0.00 N ATOM 0 H ASN A 80 87.031 7.543 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 80 86.719 5.465 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.969 7.440 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.880 6.448 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 80 85.701 8.264 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.122 6.585 -6.385 1.00 0.00 H new ATOM 1333 N PHE A 81 88.524 4.876 -2.322 1.00 0.00 N ATOM 1334 CA PHE A 81 89.393 3.851 -1.680 1.00 0.00 C ATOM 1335 C PHE A 81 88.526 2.726 -1.117 1.00 0.00 C ATOM 1336 O PHE A 81 88.739 1.566 -1.403 1.00 0.00 O ATOM 1337 CB PHE A 81 90.195 4.489 -0.545 1.00 0.00 C ATOM 1338 CG PHE A 81 91.643 4.092 -0.686 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.002 2.739 -0.661 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.624 5.073 -0.858 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.343 2.368 -0.806 1.00 0.00 C ATOM 1342 CE2 PHE A 81 93.965 4.703 -1.007 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.325 3.349 -0.981 1.00 0.00 C ATOM 0 H PHE A 81 88.117 5.562 -1.686 1.00 0.00 H new ATOM 0 HA PHE A 81 90.079 3.447 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.097 5.574 -0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.807 4.163 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.243 1.982 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.347 6.117 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.620 1.324 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 81 94.723 5.461 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.360 3.063 -1.096 1.00 0.00 H new ATOM 1353 N ARG A 82 87.551 3.056 -0.317 1.00 0.00 N ATOM 1354 CA ARG A 82 86.677 1.998 0.262 1.00 0.00 C ATOM 1355 C ARG A 82 86.272 1.011 -0.836 1.00 0.00 C ATOM 1356 O ARG A 82 86.150 -0.175 -0.603 1.00 0.00 O ATOM 1357 CB ARG A 82 85.423 2.641 0.857 1.00 0.00 C ATOM 1358 CG ARG A 82 85.816 3.540 2.032 1.00 0.00 C ATOM 1359 CD ARG A 82 86.446 2.692 3.138 1.00 0.00 C ATOM 1360 NE ARG A 82 85.582 2.737 4.352 1.00 0.00 N ATOM 1361 CZ ARG A 82 85.466 3.846 5.036 1.00 0.00 C ATOM 1362 NH1 ARG A 82 86.108 4.919 4.660 1.00 0.00 N ATOM 1363 NH2 ARG A 82 84.707 3.882 6.097 1.00 0.00 N ATOM 0 H ARG A 82 87.322 4.010 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 82 87.220 1.468 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 82 84.905 3.225 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 82 84.730 1.869 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.520 4.303 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.938 4.061 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 82 86.563 1.662 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 82 87.443 3.065 3.374 1.00 0.00 H new ATOM 0 HE ARG A 82 85.080 1.901 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 82 86.702 4.894 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 82 86.016 5.782 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 82 84.204 3.045 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 82 84.617 4.747 6.630 1.00 0.00 H new ATOM 1377 N CYS A 83 86.062 1.492 -2.033 1.00 0.00 N ATOM 1378 CA CYS A 83 85.665 0.578 -3.144 1.00 0.00 C ATOM 1379 C CYS A 83 86.801 -0.408 -3.418 1.00 0.00 C ATOM 1380 O CYS A 83 86.583 -1.592 -3.580 1.00 0.00 O ATOM 1381 CB CYS A 83 85.379 1.394 -4.405 1.00 0.00 C ATOM 1382 SG CYS A 83 84.093 2.618 -4.050 1.00 0.00 S ATOM 0 H CYS A 83 86.148 2.476 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 83 84.766 0.030 -2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.288 1.892 -4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.057 0.736 -5.212 1.00 0.00 H new ATOM 0 HG CYS A 83 84.638 3.789 -3.900 1.00 0.00 H new ATOM 1388 N ALA A 84 88.015 0.066 -3.466 1.00 0.00 N ATOM 1389 CA ALA A 84 89.158 -0.855 -3.717 1.00 0.00 C ATOM 1390 C ALA A 84 89.033 -2.059 -2.785 1.00 0.00 C ATOM 1391 O ALA A 84 89.541 -3.128 -3.058 1.00 0.00 O ATOM 1392 CB ALA A 84 90.476 -0.129 -3.439 1.00 0.00 C ATOM 0 H ALA A 84 88.264 1.047 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 84 89.145 -1.185 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.310 -0.806 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.560 0.737 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.498 0.199 -2.400 1.00 0.00 H new ATOM 1398 N MET A 85 88.354 -1.894 -1.682 1.00 0.00 N ATOM 1399 CA MET A 85 88.188 -3.024 -0.729 1.00 0.00 C ATOM 1400 C MET A 85 87.067 -3.939 -1.224 1.00 0.00 C ATOM 1401 O MET A 85 87.166 -5.149 -1.167 1.00 0.00 O ATOM 1402 CB MET A 85 87.830 -2.471 0.649 1.00 0.00 C ATOM 1403 CG MET A 85 89.079 -1.851 1.277 1.00 0.00 C ATOM 1404 SD MET A 85 89.331 -0.193 0.601 1.00 0.00 S ATOM 1405 CE MET A 85 90.994 -0.466 -0.061 1.00 0.00 C ATOM 0 H MET A 85 87.906 -1.022 -1.401 1.00 0.00 H new ATOM 0 HA MET A 85 89.116 -3.592 -0.662 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.042 -1.723 0.561 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.444 -3.267 1.286 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.968 -1.801 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.950 -2.475 1.074 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.109 0.085 -0.994 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.734 -0.118 0.660 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.141 -1.530 -0.248 1.00 0.00 H new ATOM 1415 N ASN A 86 86.006 -3.374 -1.722 1.00 0.00 N ATOM 1416 CA ASN A 86 84.890 -4.213 -2.233 1.00 0.00 C ATOM 1417 C ASN A 86 85.171 -4.592 -3.691 1.00 0.00 C ATOM 1418 O ASN A 86 84.276 -4.950 -4.432 1.00 0.00 O ATOM 1419 CB ASN A 86 83.579 -3.427 -2.145 1.00 0.00 C ATOM 1420 CG ASN A 86 83.105 -3.390 -0.690 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.669 -4.390 -0.155 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.171 -2.271 -0.023 1.00 0.00 N ATOM 0 H ASN A 86 85.863 -2.367 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 86 84.805 -5.119 -1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.724 -2.413 -2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 86 82.820 -3.892 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.857 -2.236 0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.537 -1.431 -0.471 1.00 0.00 H new ATOM 1429 N SER A 87 86.410 -4.518 -4.109 1.00 0.00 N ATOM 1430 CA SER A 87 86.749 -4.875 -5.514 1.00 0.00 C ATOM 1431 C SER A 87 87.626 -6.123 -5.528 1.00 0.00 C ATOM 1432 O SER A 87 87.671 -6.847 -4.561 1.00 0.00 O ATOM 1433 CB SER A 87 87.491 -3.713 -6.177 1.00 0.00 C ATOM 1434 OG SER A 87 86.954 -3.492 -7.476 1.00 0.00 O ATOM 0 H SER A 87 87.200 -4.225 -3.534 1.00 0.00 H new ATOM 0 HA SER A 87 85.831 -5.075 -6.067 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.393 -2.811 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.556 -3.937 -6.244 1.00 0.00 H new ATOM 0 HG SER A 87 87.426 -2.747 -7.903 1.00 0.00 H new ATOM 1440 N LEU A 88 88.308 -6.366 -6.626 1.00 0.00 N ATOM 1441 CA LEU A 88 89.193 -7.573 -6.759 1.00 0.00 C ATOM 1442 C LEU A 88 88.632 -8.750 -5.936 1.00 0.00 C ATOM 1443 O LEU A 88 88.691 -8.748 -4.722 1.00 0.00 O ATOM 1444 CB LEU A 88 90.613 -7.244 -6.273 1.00 0.00 C ATOM 1445 CG LEU A 88 90.783 -5.731 -6.080 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.371 -5.338 -4.658 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.247 -5.351 -6.304 1.00 0.00 C ATOM 0 H LEU A 88 88.288 -5.767 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 88 89.225 -7.858 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.810 -7.760 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.344 -7.608 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 88 90.152 -5.206 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.494 -4.263 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.327 -5.606 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.998 -5.865 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.369 -4.277 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.874 -5.882 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.543 -5.624 -7.317 1.00 0.00 H new ATOM 1459 N PRO A 89 88.109 -9.738 -6.624 1.00 0.00 N ATOM 1460 CA PRO A 89 87.516 -10.930 -5.979 1.00 0.00 C ATOM 1461 C PRO A 89 88.580 -11.860 -5.369 1.00 0.00 C ATOM 1462 O PRO A 89 88.359 -13.045 -5.220 1.00 0.00 O ATOM 1463 CB PRO A 89 86.765 -11.621 -7.122 1.00 0.00 C ATOM 1464 CG PRO A 89 87.408 -11.117 -8.433 1.00 0.00 C ATOM 1465 CD PRO A 89 88.071 -9.769 -8.101 1.00 0.00 C ATOM 0 HA PRO A 89 86.873 -10.664 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.846 -12.705 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.703 -11.378 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 89 88.144 -11.831 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.657 -10.998 -9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 89 89.072 -9.702 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.497 -8.933 -8.502 1.00 0.00 H new ATOM 1473 N ASP A 90 89.715 -11.337 -4.991 1.00 0.00 N ATOM 1474 CA ASP A 90 90.759 -12.192 -4.370 1.00 0.00 C ATOM 1475 C ASP A 90 91.205 -11.549 -3.052 1.00 0.00 C ATOM 1476 O ASP A 90 92.056 -12.066 -2.358 1.00 0.00 O ATOM 1477 CB ASP A 90 91.959 -12.311 -5.313 1.00 0.00 C ATOM 1478 CG ASP A 90 92.279 -10.940 -5.909 1.00 0.00 C ATOM 1479 OD1 ASP A 90 92.369 -9.991 -5.148 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.429 -10.863 -7.117 1.00 0.00 O ATOM 0 H ASP A 90 89.962 -10.352 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 90 90.356 -13.187 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.824 -12.694 -4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.740 -13.023 -6.109 1.00 0.00 H new ATOM 1485 N ILE A 91 90.641 -10.417 -2.702 1.00 0.00 N ATOM 1486 CA ILE A 91 91.046 -9.749 -1.433 1.00 0.00 C ATOM 1487 C ILE A 91 90.160 -10.239 -0.280 1.00 0.00 C ATOM 1488 O ILE A 91 88.978 -10.462 -0.443 1.00 0.00 O ATOM 1489 CB ILE A 91 90.931 -8.210 -1.584 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.675 -7.670 -0.887 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.852 -7.814 -3.057 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.688 -6.142 -0.946 1.00 0.00 C ATOM 0 H ILE A 91 89.922 -9.932 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 91 92.083 -10.002 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 91 91.821 -7.783 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.779 -8.057 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.646 -8.006 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.772 -6.730 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.751 -8.151 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.977 -8.278 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.798 -5.751 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.578 -5.766 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.697 -5.818 -1.987 1.00 0.00 H new ATOM 1504 N GLU A 92 90.724 -10.388 0.887 1.00 0.00 N ATOM 1505 CA GLU A 92 89.915 -10.839 2.053 1.00 0.00 C ATOM 1506 C GLU A 92 90.164 -9.893 3.229 1.00 0.00 C ATOM 1507 O GLU A 92 91.106 -10.047 3.980 1.00 0.00 O ATOM 1508 CB GLU A 92 90.309 -12.269 2.433 1.00 0.00 C ATOM 1509 CG GLU A 92 89.770 -13.241 1.381 1.00 0.00 C ATOM 1510 CD GLU A 92 88.314 -13.584 1.699 1.00 0.00 C ATOM 1511 OE1 GLU A 92 88.004 -13.738 2.869 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.532 -13.687 0.768 1.00 0.00 O ATOM 0 H GLU A 92 91.710 -10.217 1.083 1.00 0.00 H new ATOM 0 HA GLU A 92 88.856 -10.825 1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.394 -12.353 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 92 89.908 -12.520 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 92 89.841 -12.795 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 92 90.373 -14.149 1.367 1.00 0.00 H new ATOM 1519 N GLU A 93 89.328 -8.903 3.381 1.00 0.00 N ATOM 1520 CA GLU A 93 89.509 -7.925 4.489 1.00 0.00 C ATOM 1521 C GLU A 93 89.512 -8.639 5.843 1.00 0.00 C ATOM 1522 O GLU A 93 88.816 -9.614 6.048 1.00 0.00 O ATOM 1523 CB GLU A 93 88.375 -6.898 4.450 1.00 0.00 C ATOM 1524 CG GLU A 93 87.105 -7.490 5.069 1.00 0.00 C ATOM 1525 CD GLU A 93 85.897 -6.640 4.667 1.00 0.00 C ATOM 1526 OE1 GLU A 93 85.966 -5.433 4.830 1.00 0.00 O ATOM 1527 OE2 GLU A 93 84.925 -7.211 4.201 1.00 0.00 O ATOM 0 H GLU A 93 88.522 -8.729 2.781 1.00 0.00 H new ATOM 0 HA GLU A 93 90.467 -7.421 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.669 -6.000 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.181 -6.598 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.968 -8.518 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.197 -7.520 6.155 1.00 0.00 H new ATOM 1534 N VAL A 94 90.296 -8.151 6.763 1.00 0.00 N ATOM 1535 CA VAL A 94 90.365 -8.780 8.106 1.00 0.00 C ATOM 1536 C VAL A 94 90.758 -7.721 9.139 1.00 0.00 C ATOM 1537 O VAL A 94 91.924 -7.519 9.427 1.00 0.00 O ATOM 1538 CB VAL A 94 91.412 -9.894 8.093 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.694 -10.351 9.525 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.887 -11.076 7.275 1.00 0.00 C ATOM 0 H VAL A 94 90.896 -7.336 6.638 1.00 0.00 H new ATOM 0 HA VAL A 94 89.393 -9.200 8.365 1.00 0.00 H new ATOM 0 HB VAL A 94 92.333 -9.520 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.441 -11.145 9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 94 92.068 -9.510 10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.774 -10.724 9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.632 -11.871 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.966 -11.448 7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.688 -10.752 6.253 1.00 0.00 H new ATOM 1550 N LYS A 95 89.797 -7.037 9.693 1.00 0.00 N ATOM 1551 CA LYS A 95 90.111 -5.992 10.708 1.00 0.00 C ATOM 1552 C LYS A 95 89.868 -6.565 12.100 1.00 0.00 C ATOM 1553 O LYS A 95 89.540 -5.860 13.034 1.00 0.00 O ATOM 1554 CB LYS A 95 89.200 -4.788 10.490 1.00 0.00 C ATOM 1555 CG LYS A 95 87.765 -5.192 10.825 1.00 0.00 C ATOM 1556 CD LYS A 95 86.849 -3.974 10.702 1.00 0.00 C ATOM 1557 CE LYS A 95 86.420 -3.520 12.099 1.00 0.00 C ATOM 1558 NZ LYS A 95 85.531 -2.330 11.984 1.00 0.00 N ATOM 0 H LYS A 95 88.805 -7.156 9.487 1.00 0.00 H new ATOM 0 HA LYS A 95 91.152 -5.682 10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.515 -3.957 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.265 -4.447 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.431 -5.981 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.717 -5.596 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.368 -3.165 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.973 -4.223 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.899 -4.328 12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.297 -3.276 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.239 -2.021 12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.043 -1.558 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.689 -2.578 11.427 1.00 0.00 H new ATOM 1727 N PHE A 106 93.262 -1.155 11.769 1.00 0.00 N ATOM 1728 CA PHE A 106 93.956 -2.177 10.947 1.00 0.00 C ATOM 1729 C PHE A 106 92.979 -2.989 10.099 1.00 0.00 C ATOM 1730 O PHE A 106 92.213 -3.788 10.599 1.00 0.00 O ATOM 1731 CB PHE A 106 94.726 -3.118 11.865 1.00 0.00 C ATOM 1732 CG PHE A 106 96.169 -2.703 11.867 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.879 -2.660 10.663 1.00 0.00 C ATOM 1734 CD2 PHE A 106 96.793 -2.348 13.064 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.216 -2.264 10.657 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.130 -1.950 13.061 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.846 -1.908 11.857 1.00 0.00 C ATOM 0 HA PHE A 106 94.634 -1.658 10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 106 94.319 -3.079 12.875 1.00 0.00 H new ATOM 0 HB3 PHE A 106 94.628 -4.148 11.521 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.392 -2.933 9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 106 96.241 -2.381 13.992 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.766 -2.232 9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 106 98.613 -1.674 13.987 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.882 -1.602 11.854 1.00 0.00 H new ATOM 1747 N ARG A 107 93.053 -2.825 8.809 1.00 0.00 N ATOM 1748 CA ARG A 107 92.191 -3.618 7.894 1.00 0.00 C ATOM 1749 C ARG A 107 93.134 -4.546 7.125 1.00 0.00 C ATOM 1750 O ARG A 107 93.681 -4.188 6.095 1.00 0.00 O ATOM 1751 CB ARG A 107 91.447 -2.690 6.927 1.00 0.00 C ATOM 1752 CG ARG A 107 89.939 -2.928 7.022 1.00 0.00 C ATOM 1753 CD ARG A 107 89.206 -1.843 6.231 1.00 0.00 C ATOM 1754 NE ARG A 107 87.740 -2.104 6.265 1.00 0.00 N ATOM 1755 CZ ARG A 107 86.947 -1.492 5.426 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.435 -0.649 4.556 1.00 0.00 N ATOM 1757 NH2 ARG A 107 85.664 -1.723 5.459 1.00 0.00 N ATOM 0 H ARG A 107 93.681 -2.168 8.346 1.00 0.00 H new ATOM 0 HA ARG A 107 91.437 -4.183 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.674 -1.650 7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.787 -2.868 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.689 -3.913 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.621 -2.912 8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.421 -0.862 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.559 -1.829 5.200 1.00 0.00 H new ATOM 0 HE ARG A 107 87.355 -2.761 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.438 -0.467 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.813 -0.173 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.281 -2.380 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.043 -1.246 4.805 1.00 0.00 H new ATOM 1771 N VAL A 108 93.376 -5.715 7.653 1.00 0.00 N ATOM 1772 CA VAL A 108 94.325 -6.649 6.991 1.00 0.00 C ATOM 1773 C VAL A 108 93.656 -7.321 5.796 1.00 0.00 C ATOM 1774 O VAL A 108 92.709 -8.062 5.936 1.00 0.00 O ATOM 1775 CB VAL A 108 94.779 -7.698 8.002 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.136 -8.255 7.582 1.00 0.00 C ATOM 1777 CG2 VAL A 108 94.921 -7.035 9.369 1.00 0.00 C ATOM 0 H VAL A 108 92.956 -6.062 8.515 1.00 0.00 H new ATOM 0 HA VAL A 108 95.191 -6.094 6.631 1.00 0.00 H new ATOM 0 HB VAL A 108 94.048 -8.506 8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.461 -9.004 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 108 96.052 -8.713 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.866 -7.446 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.245 -7.775 10.100 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.659 -6.235 9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.960 -6.620 9.674 1.00 0.00 H new ATOM 1787 N TYR A 109 94.139 -7.061 4.613 1.00 0.00 N ATOM 1788 CA TYR A 109 93.522 -7.678 3.408 1.00 0.00 C ATOM 1789 C TYR A 109 94.380 -8.839 2.905 1.00 0.00 C ATOM 1790 O TYR A 109 95.574 -8.710 2.712 1.00 0.00 O ATOM 1791 CB TYR A 109 93.394 -6.624 2.309 1.00 0.00 C ATOM 1792 CG TYR A 109 92.087 -5.891 2.477 1.00 0.00 C ATOM 1793 CD1 TYR A 109 92.024 -4.748 3.281 1.00 0.00 C ATOM 1794 CD2 TYR A 109 90.934 -6.363 1.841 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.808 -4.076 3.449 1.00 0.00 C ATOM 1796 CE2 TYR A 109 89.719 -5.689 2.007 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.657 -4.547 2.813 1.00 0.00 C ATOM 1798 OH TYR A 109 88.460 -3.886 2.985 1.00 0.00 O ATOM 0 H TYR A 109 94.934 -6.448 4.430 1.00 0.00 H new ATOM 0 HA TYR A 109 92.536 -8.059 3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.227 -5.923 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.436 -7.097 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.914 -4.384 3.772 1.00 0.00 H new ATOM 0 HD2 TYR A 109 90.982 -7.247 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.760 -3.194 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 109 88.829 -6.050 1.513 1.00 0.00 H new ATOM 0 HH TYR A 109 88.525 -3.287 3.758 1.00 0.00 H new ATOM 1808 N ARG A 110 93.771 -9.970 2.680 1.00 0.00 N ATOM 1809 CA ARG A 110 94.531 -11.143 2.175 1.00 0.00 C ATOM 1810 C ARG A 110 94.263 -11.296 0.677 1.00 0.00 C ATOM 1811 O ARG A 110 93.137 -11.477 0.256 1.00 0.00 O ATOM 1812 CB ARG A 110 94.071 -12.406 2.906 1.00 0.00 C ATOM 1813 CG ARG A 110 95.190 -12.900 3.822 1.00 0.00 C ATOM 1814 CD ARG A 110 94.663 -13.024 5.252 1.00 0.00 C ATOM 1815 NE ARG A 110 94.562 -14.465 5.621 1.00 0.00 N ATOM 1816 CZ ARG A 110 94.486 -14.819 6.877 1.00 0.00 C ATOM 1817 NH1 ARG A 110 94.499 -13.912 7.818 1.00 0.00 N ATOM 1818 NH2 ARG A 110 94.397 -16.081 7.193 1.00 0.00 N ATOM 0 H ARG A 110 92.774 -10.131 2.826 1.00 0.00 H new ATOM 0 HA ARG A 110 95.597 -10.996 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.175 -12.195 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.807 -13.180 2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.559 -13.865 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 110 96.031 -12.207 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 110 95.329 -12.507 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.686 -12.547 5.334 1.00 0.00 H new ATOM 0 HE ARG A 110 94.552 -15.177 4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 110 94.569 -12.924 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 110 94.439 -14.192 8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 110 94.387 -16.791 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 110 94.338 -16.358 8.173 1.00 0.00 H new ATOM 1832 N MET A 111 95.285 -11.215 -0.127 1.00 0.00 N ATOM 1833 CA MET A 111 95.091 -11.351 -1.599 1.00 0.00 C ATOM 1834 C MET A 111 95.384 -12.792 -2.024 1.00 0.00 C ATOM 1835 O MET A 111 96.496 -13.130 -2.380 1.00 0.00 O ATOM 1836 CB MET A 111 96.044 -10.400 -2.328 1.00 0.00 C ATOM 1837 CG MET A 111 95.403 -9.014 -2.434 1.00 0.00 C ATOM 1838 SD MET A 111 95.281 -8.539 -4.176 1.00 0.00 S ATOM 1839 CE MET A 111 96.790 -7.543 -4.251 1.00 0.00 C ATOM 0 H MET A 111 96.248 -11.060 0.171 1.00 0.00 H new ATOM 0 HA MET A 111 94.061 -11.101 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.990 -10.334 -1.791 1.00 0.00 H new ATOM 0 HB3 MET A 111 96.268 -10.785 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.413 -9.023 -1.978 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.999 -8.283 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.913 -7.144 -5.258 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.718 -6.720 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.649 -8.165 -4.000 1.00 0.00 H new ATOM 1849 N LEU A 112 94.396 -13.645 -1.990 1.00 0.00 N ATOM 1850 CA LEU A 112 94.618 -15.063 -2.393 1.00 0.00 C ATOM 1851 C LEU A 112 95.127 -15.117 -3.837 1.00 0.00 C ATOM 1852 O LEU A 112 94.770 -14.286 -4.649 1.00 0.00 O ATOM 1853 CB LEU A 112 93.298 -15.831 -2.296 1.00 0.00 C ATOM 1854 CG LEU A 112 92.799 -15.816 -0.851 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.289 -16.057 -0.830 1.00 0.00 C ATOM 1856 CD2 LEU A 112 93.502 -16.922 -0.060 1.00 0.00 C ATOM 0 H LEU A 112 93.444 -13.421 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 112 95.357 -15.514 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.554 -15.380 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.438 -16.858 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 112 93.018 -14.848 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.933 -16.046 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.787 -15.272 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 112 91.069 -17.025 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 112 93.148 -16.913 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 112 93.281 -17.889 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 112 94.579 -16.752 -0.075 1.00 0.00 H new ATOM 1868 N PRO A 113 95.947 -16.099 -4.113 1.00 0.00 N ATOM 1869 CA PRO A 113 96.524 -16.301 -5.451 1.00 0.00 C ATOM 1870 C PRO A 113 95.492 -16.917 -6.398 1.00 0.00 C ATOM 1871 O PRO A 113 95.719 -18.026 -6.851 1.00 0.00 O ATOM 1872 CB PRO A 113 97.685 -17.262 -5.206 1.00 0.00 C ATOM 1873 CG PRO A 113 97.373 -17.986 -3.880 1.00 0.00 C ATOM 1874 CD PRO A 113 96.371 -17.101 -3.116 1.00 0.00 C ATOM 1875 OXT PRO A 113 94.490 -16.267 -6.656 1.00 0.00 O ATOM 0 HA PRO A 113 96.843 -15.370 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.780 -17.975 -6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.630 -16.722 -5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.952 -18.973 -4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 113 98.282 -18.133 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.525 -17.682 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.835 -16.630 -2.249 1.00 0.00 H new