USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 5 LYS NZ :NH3+ -165:sc= 0.948 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.844 K(o=1.8,f=-2.3) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.131 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.783 K(o=0.91,f=-3.3!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 81:sc= 0.186 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.352 (180deg=-0.486) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -177:sc= 0 (180deg=-0.0218) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.0711 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -176:sc= 0 (180deg=-0.016) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 51 SER OG : rot 128:sc= 1.3 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 72:sc= 0.645 USER MOD Single : A 60 ASN : amide:sc= 0.512 K(o=0.51,f=-0.76) USER MOD Single : A 67 ASN : amide:sc= 0.895 K(o=0.9,f=-6.1!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.781 -2.517 -3.425 1.00 0.00 N ATOM 69 CA ILE A 4 5.723 -1.573 -3.833 1.00 0.00 C ATOM 70 C ILE A 4 5.678 -0.299 -2.970 1.00 0.00 C ATOM 71 O ILE A 4 5.400 0.787 -3.476 1.00 0.00 O ATOM 72 CB ILE A 4 4.364 -2.307 -3.891 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.248 -1.477 -4.556 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.888 -2.756 -2.496 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.488 -1.164 -6.038 1.00 0.00 C ATOM 0 HA ILE A 4 5.963 -1.214 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 4 4.550 -3.183 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.305 -2.015 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.137 -0.539 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.929 -3.267 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.622 -3.435 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.775 -1.884 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.655 -0.577 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.412 -0.596 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.567 -2.096 -6.598 1.00 0.00 H new ATOM 87 N LYS A 5 6.038 -0.401 -1.687 1.00 0.00 N ATOM 88 CA LYS A 5 6.109 0.747 -0.771 1.00 0.00 C ATOM 89 C LYS A 5 7.258 1.701 -1.149 1.00 0.00 C ATOM 90 O LYS A 5 7.109 2.921 -1.093 1.00 0.00 O ATOM 91 CB LYS A 5 6.218 0.207 0.675 1.00 0.00 C ATOM 92 CG LYS A 5 5.271 0.902 1.667 1.00 0.00 C ATOM 93 CD LYS A 5 5.724 2.282 2.163 1.00 0.00 C ATOM 94 CE LYS A 5 6.916 2.181 3.126 1.00 0.00 C ATOM 95 NZ LYS A 5 7.028 3.390 3.984 1.00 0.00 N ATOM 0 H LYS A 5 6.290 -1.287 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 5 5.204 1.349 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.005 -0.862 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.244 0.326 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.294 1.008 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.138 0.251 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.998 2.903 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.893 2.778 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.804 1.297 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.836 2.052 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.966 3.411 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.904 4.242 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.292 3.364 4.719 1.00 0.00 H new ATOM 109 N ASN A 6 8.380 1.145 -1.622 1.00 0.00 N ATOM 110 CA ASN A 6 9.497 1.909 -2.184 1.00 0.00 C ATOM 111 C ASN A 6 9.213 2.405 -3.617 1.00 0.00 C ATOM 112 O ASN A 6 9.694 3.471 -3.997 1.00 0.00 O ATOM 113 CB ASN A 6 10.764 1.040 -2.140 1.00 0.00 C ATOM 114 CG ASN A 6 12.008 1.813 -2.578 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.356 2.841 -2.010 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.710 1.345 -3.596 1.00 0.00 N ATOM 0 H ASN A 6 8.538 0.137 -1.624 1.00 0.00 H new ATOM 0 HA ASN A 6 9.640 2.805 -1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.910 0.664 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.631 0.173 -2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.544 1.840 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.417 0.489 -4.067 1.00 0.00 H new ATOM 123 N PHE A 7 8.399 1.682 -4.398 1.00 0.00 N ATOM 124 CA PHE A 7 8.022 2.066 -5.761 1.00 0.00 C ATOM 125 C PHE A 7 7.186 3.349 -5.772 1.00 0.00 C ATOM 126 O PHE A 7 7.487 4.255 -6.547 1.00 0.00 O ATOM 127 CB PHE A 7 7.265 0.913 -6.434 1.00 0.00 C ATOM 128 CG PHE A 7 6.812 1.220 -7.847 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.709 1.088 -8.923 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.500 1.671 -8.084 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.292 1.401 -10.229 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.085 1.984 -9.389 1.00 0.00 C ATOM 133 CZ PHE A 7 5.979 1.845 -10.465 1.00 0.00 C ATOM 0 H PHE A 7 7.980 0.803 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 7 8.932 2.270 -6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.906 0.031 -6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.393 0.661 -5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.718 0.746 -8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.810 1.777 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.982 1.300 -11.053 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.078 2.332 -9.566 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.658 2.078 -11.470 1.00 0.00 H new ATOM 143 N LEU A 8 6.189 3.462 -4.883 1.00 0.00 N ATOM 144 CA LEU A 8 5.406 4.692 -4.737 1.00 0.00 C ATOM 145 C LEU A 8 6.284 5.862 -4.279 1.00 0.00 C ATOM 146 O LEU A 8 6.193 6.957 -4.831 1.00 0.00 O ATOM 147 CB LEU A 8 4.231 4.444 -3.773 1.00 0.00 C ATOM 148 CG LEU A 8 3.288 5.659 -3.603 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.743 6.210 -4.930 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.105 5.272 -2.705 1.00 0.00 C ATOM 0 H LEU A 8 5.907 2.711 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 8 5.000 4.971 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.651 3.595 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.628 4.166 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 8 3.888 6.449 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.090 7.060 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.573 6.530 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.178 5.431 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.442 6.129 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.556 4.449 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.476 4.963 -1.728 1.00 0.00 H new ATOM 162 N TYR A 9 7.177 5.625 -3.314 1.00 0.00 N ATOM 163 CA TYR A 9 8.103 6.642 -2.809 1.00 0.00 C ATOM 164 C TYR A 9 9.075 7.150 -3.893 1.00 0.00 C ATOM 165 O TYR A 9 9.278 8.358 -4.025 1.00 0.00 O ATOM 166 CB TYR A 9 8.851 6.068 -1.597 1.00 0.00 C ATOM 167 CG TYR A 9 9.690 7.086 -0.851 1.00 0.00 C ATOM 168 CD1 TYR A 9 11.031 7.308 -1.221 1.00 0.00 C ATOM 169 CD2 TYR A 9 9.127 7.819 0.212 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.805 8.266 -0.539 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.896 8.775 0.902 1.00 0.00 C ATOM 172 CZ TYR A 9 11.240 9.005 0.525 1.00 0.00 C ATOM 173 OH TYR A 9 11.994 9.929 1.185 1.00 0.00 O ATOM 0 H TYR A 9 7.278 4.718 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 9 7.528 7.516 -2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.126 5.635 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.497 5.256 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.467 6.741 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.100 7.647 0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.831 8.436 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.461 9.332 1.718 1.00 0.00 H new ATOM 0 HH TYR A 9 11.455 10.349 1.888 1.00 0.00 H new ATOM 183 N ALA A 10 9.624 6.246 -4.711 1.00 0.00 N ATOM 184 CA ALA A 10 10.503 6.575 -5.835 1.00 0.00 C ATOM 185 C ALA A 10 9.759 7.301 -6.970 1.00 0.00 C ATOM 186 O ALA A 10 10.269 8.285 -7.502 1.00 0.00 O ATOM 187 CB ALA A 10 11.163 5.280 -6.328 1.00 0.00 C ATOM 0 H ALA A 10 9.465 5.244 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 10 11.268 7.273 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.823 5.504 -7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.743 4.836 -5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.393 4.579 -6.650 1.00 0.00 H new ATOM 193 N TRP A 11 8.534 6.875 -7.299 1.00 0.00 N ATOM 194 CA TRP A 11 7.670 7.538 -8.282 1.00 0.00 C ATOM 195 C TRP A 11 7.340 8.979 -7.866 1.00 0.00 C ATOM 196 O TRP A 11 7.475 9.908 -8.664 1.00 0.00 O ATOM 197 CB TRP A 11 6.395 6.703 -8.457 1.00 0.00 C ATOM 198 CG TRP A 11 5.381 7.298 -9.383 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.282 7.079 -10.715 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.307 8.228 -9.051 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.241 7.831 -11.232 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.621 8.573 -10.251 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.839 8.811 -7.855 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.553 9.479 -10.263 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.755 9.707 -7.854 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.118 10.051 -9.057 1.00 0.00 C ATOM 0 H TRP A 11 8.109 6.047 -6.883 1.00 0.00 H new ATOM 0 HA TRP A 11 8.196 7.605 -9.234 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.671 5.716 -8.828 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.934 6.559 -7.480 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.918 6.419 -11.287 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.968 7.835 -12.215 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.323 8.564 -6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.068 9.736 -11.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.411 10.133 -6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.297 10.753 -9.055 1.00 0.00 H new ATOM 217 N CYS A 12 6.985 9.177 -6.592 1.00 0.00 N ATOM 218 CA CYS A 12 6.803 10.503 -5.990 1.00 0.00 C ATOM 219 C CYS A 12 8.088 11.351 -6.069 1.00 0.00 C ATOM 220 O CYS A 12 8.032 12.516 -6.465 1.00 0.00 O ATOM 221 CB CYS A 12 6.356 10.329 -4.532 1.00 0.00 C ATOM 222 SG CYS A 12 4.656 9.701 -4.416 1.00 0.00 S ATOM 0 H CYS A 12 6.814 8.411 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 12 6.038 11.039 -6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.033 9.641 -4.024 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.426 11.286 -4.014 1.00 0.00 H new ATOM 0 HG CYS A 12 4.657 8.412 -4.582 1.00 0.00 H new ATOM 228 N GLY A 13 9.249 10.760 -5.766 1.00 0.00 N ATOM 229 CA GLY A 13 10.553 11.437 -5.758 1.00 0.00 C ATOM 230 C GLY A 13 11.039 11.878 -7.142 1.00 0.00 C ATOM 231 O GLY A 13 11.755 12.872 -7.247 1.00 0.00 O ATOM 0 H GLY A 13 9.311 9.774 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.492 12.312 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.294 10.768 -5.321 1.00 0.00 H new ATOM 235 N LYS A 14 10.592 11.215 -8.217 1.00 0.00 N ATOM 236 CA LYS A 14 10.842 11.631 -9.610 1.00 0.00 C ATOM 237 C LYS A 14 9.921 12.785 -10.066 1.00 0.00 C ATOM 238 O LYS A 14 10.122 13.353 -11.143 1.00 0.00 O ATOM 239 CB LYS A 14 10.708 10.401 -10.533 1.00 0.00 C ATOM 240 CG LYS A 14 11.824 9.353 -10.374 1.00 0.00 C ATOM 241 CD LYS A 14 13.186 9.831 -10.900 1.00 0.00 C ATOM 242 CE LYS A 14 14.210 8.692 -10.798 1.00 0.00 C ATOM 243 NZ LYS A 14 15.544 9.102 -11.307 1.00 0.00 N ATOM 0 H LYS A 14 10.038 10.362 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 14 11.856 12.026 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.748 9.922 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.692 10.741 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.921 9.092 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.537 8.444 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.092 10.157 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.527 10.692 -10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.299 8.375 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.854 7.831 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.208 8.306 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.464 9.380 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.895 9.907 -10.751 1.00 0.00 H new ATOM 257 N ARG A 15 8.931 13.138 -9.235 1.00 0.00 N ATOM 258 CA ARG A 15 7.905 14.165 -9.465 1.00 0.00 C ATOM 259 C ARG A 15 7.939 15.295 -8.413 1.00 0.00 C ATOM 260 O ARG A 15 7.037 16.132 -8.385 1.00 0.00 O ATOM 261 CB ARG A 15 6.530 13.470 -9.501 1.00 0.00 C ATOM 262 CG ARG A 15 6.396 12.450 -10.646 1.00 0.00 C ATOM 263 CD ARG A 15 5.038 11.738 -10.652 1.00 0.00 C ATOM 264 NE ARG A 15 3.909 12.668 -10.872 1.00 0.00 N ATOM 265 CZ ARG A 15 2.968 12.590 -11.809 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.004 11.713 -12.789 1.00 0.00 N ATOM 267 NH2 ARG A 15 1.942 13.410 -11.767 1.00 0.00 N ATOM 0 H ARG A 15 8.818 12.686 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 15 8.106 14.654 -10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.361 12.964 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.751 14.225 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.538 12.960 -11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.190 11.708 -10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.034 10.977 -11.432 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.899 11.221 -9.702 1.00 0.00 H new ATOM 0 HE ARG A 15 3.845 13.460 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.779 11.053 -12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.257 11.693 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.871 14.100 -11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.217 13.356 -12.482 1.00 0.00 H new ATOM 281 N LYS A 16 8.957 15.323 -7.539 1.00 0.00 N ATOM 282 CA LYS A 16 9.159 16.301 -6.445 1.00 0.00 C ATOM 283 C LYS A 16 8.094 16.205 -5.321 1.00 0.00 C ATOM 284 O LYS A 16 7.778 17.197 -4.657 1.00 0.00 O ATOM 285 CB LYS A 16 9.335 17.736 -6.999 1.00 0.00 C ATOM 286 CG LYS A 16 10.439 17.847 -8.068 1.00 0.00 C ATOM 287 CD LYS A 16 10.757 19.304 -8.445 1.00 0.00 C ATOM 288 CE LYS A 16 9.560 20.109 -8.982 1.00 0.00 C ATOM 289 NZ LYS A 16 9.053 19.592 -10.281 1.00 0.00 N ATOM 0 H LYS A 16 9.704 14.629 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 16 10.094 16.031 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.390 18.071 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.568 18.410 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.345 17.365 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.130 17.304 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.154 19.813 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.545 19.306 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.754 20.086 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.854 21.152 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.248 20.171 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.810 19.638 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.745 18.605 -10.166 1.00 0.00 H new ATOM 303 N MET A 17 7.528 15.010 -5.111 1.00 0.00 N ATOM 304 CA MET A 17 6.493 14.692 -4.113 1.00 0.00 C ATOM 305 C MET A 17 7.001 13.676 -3.072 1.00 0.00 C ATOM 306 O MET A 17 8.055 13.060 -3.254 1.00 0.00 O ATOM 307 CB MET A 17 5.252 14.126 -4.833 1.00 0.00 C ATOM 308 CG MET A 17 4.637 15.117 -5.828 1.00 0.00 C ATOM 309 SD MET A 17 3.038 14.623 -6.526 1.00 0.00 S ATOM 310 CE MET A 17 3.450 12.986 -7.181 1.00 0.00 C ATOM 0 H MET A 17 7.793 14.193 -5.661 1.00 0.00 H new ATOM 0 HA MET A 17 6.235 15.609 -3.583 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.529 13.213 -5.361 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.502 13.850 -4.092 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.516 16.079 -5.330 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.341 15.269 -6.646 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.593 12.585 -7.722 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.301 13.068 -7.858 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.704 12.318 -6.358 1.00 0.00 H new ATOM 320 N THR A 18 6.190 13.446 -2.029 1.00 0.00 N ATOM 321 CA THR A 18 6.397 12.440 -0.970 1.00 0.00 C ATOM 322 C THR A 18 5.036 11.838 -0.587 1.00 0.00 C ATOM 323 O THR A 18 4.112 12.620 -0.342 1.00 0.00 O ATOM 324 CB THR A 18 7.053 13.082 0.265 1.00 0.00 C ATOM 325 OG1 THR A 18 8.245 13.735 -0.117 1.00 0.00 O ATOM 326 CG2 THR A 18 7.424 12.043 1.326 1.00 0.00 C ATOM 0 H THR A 18 5.332 13.979 -1.892 1.00 0.00 H new ATOM 0 HA THR A 18 7.060 11.658 -1.339 1.00 0.00 H new ATOM 0 HB THR A 18 6.327 13.779 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.660 14.145 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.884 12.542 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.525 11.520 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.127 11.326 0.903 1.00 0.00 H new ATOM 334 N PRO A 19 4.877 10.498 -0.525 1.00 0.00 N ATOM 335 CA PRO A 19 3.632 9.866 -0.099 1.00 0.00 C ATOM 336 C PRO A 19 3.481 9.959 1.425 1.00 0.00 C ATOM 337 O PRO A 19 4.438 9.738 2.169 1.00 0.00 O ATOM 338 CB PRO A 19 3.722 8.420 -0.591 1.00 0.00 C ATOM 339 CG PRO A 19 5.221 8.128 -0.568 1.00 0.00 C ATOM 340 CD PRO A 19 5.862 9.483 -0.876 1.00 0.00 C ATOM 0 HA PRO A 19 2.750 10.356 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.171 7.740 0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.307 8.310 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.539 7.746 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.494 7.378 -1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.779 9.618 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.133 9.553 -1.930 1.00 0.00 H new ATOM 348 N ALA A 20 2.271 10.292 1.886 1.00 0.00 N ATOM 349 CA ALA A 20 1.958 10.531 3.295 1.00 0.00 C ATOM 350 C ALA A 20 1.012 9.458 3.849 1.00 0.00 C ATOM 351 O ALA A 20 -0.159 9.378 3.470 1.00 0.00 O ATOM 352 CB ALA A 20 1.365 11.936 3.434 1.00 0.00 C ATOM 0 H ALA A 20 1.464 10.405 1.273 1.00 0.00 H new ATOM 0 HA ALA A 20 2.872 10.468 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.127 12.128 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.089 12.673 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.457 12.008 2.836 1.00 0.00 H new ATOM 358 N TYR A 21 1.509 8.666 4.798 1.00 0.00 N ATOM 359 CA TYR A 21 0.809 7.514 5.377 1.00 0.00 C ATOM 360 C TYR A 21 0.123 7.842 6.719 1.00 0.00 C ATOM 361 O TYR A 21 0.577 8.706 7.473 1.00 0.00 O ATOM 362 CB TYR A 21 1.796 6.344 5.547 1.00 0.00 C ATOM 363 CG TYR A 21 2.412 5.844 4.252 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.601 6.422 3.766 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.792 4.808 3.525 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.147 5.997 2.542 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.340 4.368 2.304 1.00 0.00 C ATOM 368 CZ TYR A 21 3.506 4.985 1.795 1.00 0.00 C ATOM 369 OH TYR A 21 4.015 4.614 0.588 1.00 0.00 O ATOM 0 H TYR A 21 2.436 8.810 5.198 1.00 0.00 H new ATOM 0 HA TYR A 21 0.014 7.233 4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.596 6.655 6.218 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.278 5.516 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.095 7.195 4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.892 4.349 3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.058 6.445 2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.871 3.562 1.759 1.00 0.00 H new ATOM 0 HH TYR A 21 4.987 4.743 0.589 1.00 0.00 H new ATOM 379 N GLU A 22 -0.952 7.118 7.029 1.00 0.00 N ATOM 380 CA GLU A 22 -1.661 7.123 8.311 1.00 0.00 C ATOM 381 C GLU A 22 -2.081 5.686 8.655 1.00 0.00 C ATOM 382 O GLU A 22 -2.319 4.884 7.752 1.00 0.00 O ATOM 383 CB GLU A 22 -2.858 8.090 8.239 1.00 0.00 C ATOM 384 CG GLU A 22 -3.653 8.227 9.544 1.00 0.00 C ATOM 385 CD GLU A 22 -2.778 8.717 10.710 1.00 0.00 C ATOM 386 OE1 GLU A 22 -2.108 7.875 11.353 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.757 9.941 10.983 1.00 0.00 O ATOM 0 H GLU A 22 -1.375 6.478 6.357 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.012 7.480 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.494 9.075 7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.533 7.753 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.478 8.924 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.093 7.264 9.802 1.00 0.00 H new ATOM 394 N ILE A 23 -2.137 5.335 9.945 1.00 0.00 N ATOM 395 CA ILE A 23 -2.287 3.950 10.442 1.00 0.00 C ATOM 396 C ILE A 23 -3.291 3.870 11.608 1.00 0.00 C ATOM 397 O ILE A 23 -3.384 4.789 12.426 1.00 0.00 O ATOM 398 CB ILE A 23 -0.886 3.380 10.814 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.021 3.225 9.538 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.964 2.039 11.575 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.385 2.658 9.758 1.00 0.00 C ATOM 0 H ILE A 23 -2.078 6.021 10.698 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.706 3.328 9.651 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.420 4.096 11.491 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.550 2.577 8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.070 4.201 9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.043 1.693 11.806 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.521 2.178 12.501 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.469 1.298 10.955 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.904 2.591 8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.941 3.314 10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.312 1.665 10.201 1.00 0.00 H new ATOM 413 N ARG A 24 -4.018 2.744 11.699 1.00 0.00 N ATOM 414 CA ARG A 24 -4.976 2.424 12.770 1.00 0.00 C ATOM 415 C ARG A 24 -4.868 0.950 13.181 1.00 0.00 C ATOM 416 O ARG A 24 -4.774 0.072 12.326 1.00 0.00 O ATOM 417 CB ARG A 24 -6.398 2.756 12.287 1.00 0.00 C ATOM 418 CG ARG A 24 -7.451 2.640 13.400 1.00 0.00 C ATOM 419 CD ARG A 24 -8.825 3.117 12.916 1.00 0.00 C ATOM 420 NE ARG A 24 -9.856 2.898 13.946 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.145 3.200 13.848 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.652 3.763 12.769 1.00 0.00 N ATOM 423 NH2 ARG A 24 -11.956 2.935 14.849 1.00 0.00 N ATOM 0 H ARG A 24 -3.952 2.003 11.001 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.745 3.024 13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.412 3.769 11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.665 2.085 11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.519 1.604 13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.140 3.232 14.261 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.778 4.176 12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.098 2.585 12.005 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.549 2.472 14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.049 3.980 11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.647 3.982 12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.594 2.499 15.697 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.947 3.166 14.777 1.00 0.00 H new ATOM 561 N LYS A 33 -4.098 -6.593 14.397 1.00 0.00 N ATOM 562 CA LYS A 33 -3.886 -6.217 12.995 1.00 0.00 C ATOM 563 C LYS A 33 -3.830 -4.684 12.844 1.00 0.00 C ATOM 564 O LYS A 33 -4.223 -3.938 13.751 1.00 0.00 O ATOM 565 CB LYS A 33 -5.030 -6.817 12.149 1.00 0.00 C ATOM 566 CG LYS A 33 -4.893 -8.331 11.927 1.00 0.00 C ATOM 567 CD LYS A 33 -6.015 -8.847 11.016 1.00 0.00 C ATOM 568 CE LYS A 33 -5.863 -10.357 10.793 1.00 0.00 C ATOM 569 NZ LYS A 33 -6.932 -10.893 9.908 1.00 0.00 N ATOM 0 HA LYS A 33 -2.931 -6.610 12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.981 -6.614 12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.058 -6.316 11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.924 -8.552 11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.928 -8.849 12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.985 -8.634 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.985 -8.326 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.888 -10.563 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.894 -10.872 11.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.796 -11.916 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.861 -10.718 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.887 -10.420 8.983 1.00 0.00 H new ATOM 583 N PHE A 34 -3.382 -4.203 11.685 1.00 0.00 N ATOM 584 CA PHE A 34 -3.238 -2.783 11.362 1.00 0.00 C ATOM 585 C PHE A 34 -3.822 -2.467 9.983 1.00 0.00 C ATOM 586 O PHE A 34 -3.607 -3.204 9.022 1.00 0.00 O ATOM 587 CB PHE A 34 -1.754 -2.387 11.418 1.00 0.00 C ATOM 588 CG PHE A 34 -1.133 -2.497 12.796 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.279 -1.448 13.723 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.417 -3.653 13.157 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.696 -1.548 15.000 1.00 0.00 C ATOM 592 CE2 PHE A 34 0.174 -3.750 14.430 1.00 0.00 C ATOM 593 CZ PHE A 34 0.042 -2.694 15.348 1.00 0.00 C ATOM 0 H PHE A 34 -3.099 -4.813 10.918 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.794 -2.203 12.099 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.195 -3.019 10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.650 -1.361 11.066 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.839 -0.565 13.454 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.321 -4.468 12.455 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.815 -0.745 15.713 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.729 -4.636 14.702 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.507 -2.762 16.320 1.00 0.00 H new ATOM 603 N MET A 35 -4.529 -1.341 9.897 1.00 0.00 N ATOM 604 CA MET A 35 -4.998 -0.709 8.662 1.00 0.00 C ATOM 605 C MET A 35 -4.112 0.496 8.340 1.00 0.00 C ATOM 606 O MET A 35 -3.548 1.112 9.248 1.00 0.00 O ATOM 607 CB MET A 35 -6.458 -0.248 8.803 1.00 0.00 C ATOM 608 CG MET A 35 -7.389 -1.350 9.317 1.00 0.00 C ATOM 609 SD MET A 35 -9.157 -1.052 9.046 1.00 0.00 S ATOM 610 CE MET A 35 -9.373 0.490 9.973 1.00 0.00 C ATOM 0 H MET A 35 -4.805 -0.818 10.728 1.00 0.00 H new ATOM 0 HA MET A 35 -4.942 -1.440 7.855 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.500 0.602 9.484 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.818 0.101 7.835 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.117 -2.289 8.834 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.218 -1.480 10.386 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.423 0.783 9.952 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.059 0.341 11.006 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.768 1.275 9.520 1.00 0.00 H new ATOM 620 N CYS A 36 -4.016 0.864 7.065 1.00 0.00 N ATOM 621 CA CYS A 36 -3.206 1.981 6.588 1.00 0.00 C ATOM 622 C CYS A 36 -3.876 2.715 5.416 1.00 0.00 C ATOM 623 O CYS A 36 -4.557 2.103 4.590 1.00 0.00 O ATOM 624 CB CYS A 36 -1.809 1.447 6.244 1.00 0.00 C ATOM 625 SG CYS A 36 -0.697 2.824 5.841 1.00 0.00 S ATOM 0 H CYS A 36 -4.512 0.381 6.316 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.111 2.734 7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.410 0.881 7.086 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.871 0.760 5.400 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.066 3.886 6.494 1.00 0.00 H new ATOM 631 N GLU A 37 -3.666 4.026 5.356 1.00 0.00 N ATOM 632 CA GLU A 37 -4.153 4.939 4.324 1.00 0.00 C ATOM 633 C GLU A 37 -2.974 5.777 3.807 1.00 0.00 C ATOM 634 O GLU A 37 -2.181 6.262 4.613 1.00 0.00 O ATOM 635 CB GLU A 37 -5.229 5.874 4.909 1.00 0.00 C ATOM 636 CG GLU A 37 -6.472 5.140 5.429 1.00 0.00 C ATOM 637 CD GLU A 37 -7.500 6.134 5.991 1.00 0.00 C ATOM 638 OE1 GLU A 37 -8.175 6.830 5.195 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.643 6.224 7.233 1.00 0.00 O ATOM 0 H GLU A 37 -3.119 4.510 6.068 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.591 4.364 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.792 6.451 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.534 6.586 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.922 4.562 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.183 4.432 6.205 1.00 0.00 H new ATOM 646 N VAL A 38 -2.863 5.974 2.489 1.00 0.00 N ATOM 647 CA VAL A 38 -1.793 6.774 1.855 1.00 0.00 C ATOM 648 C VAL A 38 -2.365 7.845 0.924 1.00 0.00 C ATOM 649 O VAL A 38 -3.298 7.588 0.165 1.00 0.00 O ATOM 650 CB VAL A 38 -0.743 5.894 1.139 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.276 5.197 -0.120 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.502 6.715 0.758 1.00 0.00 C ATOM 0 H VAL A 38 -3.521 5.579 1.817 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.269 7.288 2.661 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.483 5.120 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.483 4.598 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.112 4.551 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.613 5.947 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.223 6.070 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.213 7.526 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.953 7.131 1.659 1.00 0.00 H new ATOM 662 N ARG A 39 -1.809 9.056 1.021 1.00 0.00 N ATOM 663 CA ARG A 39 -2.212 10.261 0.289 1.00 0.00 C ATOM 664 C ARG A 39 -1.002 10.842 -0.462 1.00 0.00 C ATOM 665 O ARG A 39 0.138 10.675 -0.025 1.00 0.00 O ATOM 666 CB ARG A 39 -2.760 11.326 1.264 1.00 0.00 C ATOM 667 CG ARG A 39 -4.125 11.043 1.928 1.00 0.00 C ATOM 668 CD ARG A 39 -4.204 9.872 2.923 1.00 0.00 C ATOM 669 NE ARG A 39 -3.077 9.870 3.872 1.00 0.00 N ATOM 670 CZ ARG A 39 -2.970 10.553 5.004 1.00 0.00 C ATOM 671 NH1 ARG A 39 -3.969 11.239 5.519 1.00 0.00 N ATOM 672 NH2 ARG A 39 -1.814 10.554 5.626 1.00 0.00 N ATOM 0 H ARG A 39 -1.023 9.232 1.646 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.993 9.990 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.024 11.470 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.837 12.270 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.440 11.948 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.852 10.861 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.142 9.930 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.215 8.931 2.373 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.286 9.273 3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.872 11.260 5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.840 11.750 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.025 10.038 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.705 11.071 6.498 1.00 0.00 H new ATOM 686 N VAL A 40 -1.250 11.556 -1.559 1.00 0.00 N ATOM 687 CA VAL A 40 -0.240 12.260 -2.374 1.00 0.00 C ATOM 688 C VAL A 40 -0.838 13.588 -2.851 1.00 0.00 C ATOM 689 O VAL A 40 -1.997 13.631 -3.265 1.00 0.00 O ATOM 690 CB VAL A 40 0.226 11.413 -3.586 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.332 12.129 -4.378 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.774 10.034 -3.171 1.00 0.00 C ATOM 0 H VAL A 40 -2.195 11.669 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 40 0.641 12.438 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.664 11.278 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.636 11.508 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.956 13.083 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.190 12.304 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.085 9.484 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.629 10.167 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.004 9.474 -2.652 1.00 0.00 H new ATOM 702 N GLU A 41 -0.059 14.671 -2.762 1.00 0.00 N ATOM 703 CA GLU A 41 -0.486 16.025 -3.135 1.00 0.00 C ATOM 704 C GLU A 41 -0.920 16.109 -4.612 1.00 0.00 C ATOM 705 O GLU A 41 -0.300 15.515 -5.496 1.00 0.00 O ATOM 706 CB GLU A 41 0.643 17.021 -2.815 1.00 0.00 C ATOM 707 CG GLU A 41 0.276 18.496 -3.040 1.00 0.00 C ATOM 708 CD GLU A 41 -0.911 18.942 -2.171 1.00 0.00 C ATOM 709 OE1 GLU A 41 -2.074 18.819 -2.626 1.00 0.00 O ATOM 710 OE2 GLU A 41 -0.689 19.418 -1.033 1.00 0.00 O ATOM 0 H GLU A 41 0.902 14.631 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.366 16.287 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.943 16.889 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.510 16.778 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.141 19.121 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.032 18.651 -4.091 1.00 0.00 H new ATOM 717 N GLY A 42 -2.001 16.849 -4.878 1.00 0.00 N ATOM 718 CA GLY A 42 -2.587 17.026 -6.213 1.00 0.00 C ATOM 719 C GLY A 42 -3.581 15.934 -6.633 1.00 0.00 C ATOM 720 O GLY A 42 -4.195 16.070 -7.693 1.00 0.00 O ATOM 0 H GLY A 42 -2.507 17.356 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.094 17.990 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.781 17.064 -6.946 1.00 0.00 H new ATOM 724 N PHE A 43 -3.775 14.887 -5.819 1.00 0.00 N ATOM 725 CA PHE A 43 -4.730 13.799 -6.067 1.00 0.00 C ATOM 726 C PHE A 43 -5.805 13.745 -4.971 1.00 0.00 C ATOM 727 O PHE A 43 -5.497 13.790 -3.778 1.00 0.00 O ATOM 728 CB PHE A 43 -3.975 12.466 -6.166 1.00 0.00 C ATOM 729 CG PHE A 43 -2.941 12.426 -7.276 1.00 0.00 C ATOM 730 CD1 PHE A 43 -3.336 12.193 -8.607 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.584 12.663 -6.984 1.00 0.00 C ATOM 732 CE1 PHE A 43 -2.378 12.191 -9.637 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.629 12.661 -8.013 1.00 0.00 C ATOM 734 CZ PHE A 43 -1.024 12.422 -9.341 1.00 0.00 C ATOM 0 H PHE A 43 -3.258 14.771 -4.947 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.241 13.987 -7.011 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.481 12.268 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.695 11.663 -6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.376 12.016 -8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.277 12.847 -5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.684 12.012 -10.657 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.411 12.843 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.288 12.416 -10.132 1.00 0.00 H new ATOM 744 N ASN A 44 -7.073 13.633 -5.380 1.00 0.00 N ATOM 745 CA ASN A 44 -8.226 13.579 -4.468 1.00 0.00 C ATOM 746 C ASN A 44 -8.471 12.175 -3.873 1.00 0.00 C ATOM 747 O ASN A 44 -9.188 12.044 -2.878 1.00 0.00 O ATOM 748 CB ASN A 44 -9.478 14.081 -5.206 1.00 0.00 C ATOM 749 CG ASN A 44 -9.350 15.537 -5.647 1.00 0.00 C ATOM 750 OD1 ASN A 44 -8.946 15.836 -6.765 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.684 16.483 -4.785 1.00 0.00 N ATOM 0 H ASN A 44 -7.333 13.576 -6.365 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.002 14.226 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.657 13.454 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.346 13.976 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.606 17.465 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.020 16.231 -3.856 1.00 0.00 H new ATOM 758 N TYR A 45 -7.878 11.126 -4.454 1.00 0.00 N ATOM 759 CA TYR A 45 -7.962 9.745 -3.968 1.00 0.00 C ATOM 760 C TYR A 45 -6.937 9.451 -2.852 1.00 0.00 C ATOM 761 O TYR A 45 -5.900 10.113 -2.750 1.00 0.00 O ATOM 762 CB TYR A 45 -7.779 8.799 -5.163 1.00 0.00 C ATOM 763 CG TYR A 45 -8.129 7.350 -4.875 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.481 6.975 -4.745 1.00 0.00 C ATOM 765 CD2 TYR A 45 -7.116 6.383 -4.723 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.823 5.638 -4.472 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.450 5.044 -4.447 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.807 4.666 -4.323 1.00 0.00 C ATOM 769 OH TYR A 45 -9.135 3.367 -4.079 1.00 0.00 O ATOM 0 H TYR A 45 -7.312 11.217 -5.297 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.942 9.588 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.397 9.152 -5.988 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.742 8.850 -5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.258 7.717 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.079 6.670 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.861 5.354 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.671 4.306 -4.330 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.318 2.832 -4.005 1.00 0.00 H new ATOM 779 N ALA A 46 -7.212 8.429 -2.037 1.00 0.00 N ATOM 780 CA ALA A 46 -6.277 7.866 -1.063 1.00 0.00 C ATOM 781 C ALA A 46 -6.318 6.330 -1.127 1.00 0.00 C ATOM 782 O ALA A 46 -7.396 5.734 -1.065 1.00 0.00 O ATOM 783 CB ALA A 46 -6.628 8.396 0.334 1.00 0.00 C ATOM 0 H ALA A 46 -8.117 7.958 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.257 8.172 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.935 7.980 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.553 9.483 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.646 8.101 0.590 1.00 0.00 H new ATOM 789 N GLY A 47 -5.146 5.695 -1.246 1.00 0.00 N ATOM 790 CA GLY A 47 -5.014 4.235 -1.273 1.00 0.00 C ATOM 791 C GLY A 47 -5.120 3.659 0.133 1.00 0.00 C ATOM 792 O GLY A 47 -4.653 4.280 1.090 1.00 0.00 O ATOM 0 H GLY A 47 -4.255 6.185 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.791 3.806 -1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.056 3.960 -1.713 1.00 0.00 H new ATOM 796 N MET A 48 -5.726 2.480 0.258 1.00 0.00 N ATOM 797 CA MET A 48 -6.087 1.855 1.536 1.00 0.00 C ATOM 798 C MET A 48 -5.707 0.370 1.562 1.00 0.00 C ATOM 799 O MET A 48 -5.945 -0.362 0.599 1.00 0.00 O ATOM 800 CB MET A 48 -7.595 2.019 1.791 1.00 0.00 C ATOM 801 CG MET A 48 -8.035 3.488 1.825 1.00 0.00 C ATOM 802 SD MET A 48 -9.758 3.760 2.317 1.00 0.00 S ATOM 803 CE MET A 48 -10.597 3.148 0.832 1.00 0.00 C ATOM 0 H MET A 48 -5.989 1.914 -0.549 1.00 0.00 H new ATOM 0 HA MET A 48 -5.528 2.356 2.326 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.150 1.496 1.012 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.852 1.545 2.738 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.386 4.030 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.883 3.920 0.836 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.671 3.306 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.229 3.686 -0.042 1.00 0.00 H new ATOM 0 HE3 MET A 48 -10.396 2.083 0.713 1.00 0.00 H new ATOM 813 N GLY A 49 -5.114 -0.074 2.674 1.00 0.00 N ATOM 814 CA GLY A 49 -4.687 -1.458 2.904 1.00 0.00 C ATOM 815 C GLY A 49 -4.769 -1.878 4.367 1.00 0.00 C ATOM 816 O GLY A 49 -5.028 -1.062 5.250 1.00 0.00 O ATOM 0 H GLY A 49 -4.911 0.539 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.306 -2.126 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.661 -1.577 2.556 1.00 0.00 H new ATOM 820 N ASN A 50 -4.526 -3.162 4.628 1.00 0.00 N ATOM 821 CA ASN A 50 -4.430 -3.731 5.978 1.00 0.00 C ATOM 822 C ASN A 50 -3.563 -5.003 6.004 1.00 0.00 C ATOM 823 O ASN A 50 -3.348 -5.627 4.963 1.00 0.00 O ATOM 824 CB ASN A 50 -5.836 -3.970 6.564 1.00 0.00 C ATOM 825 CG ASN A 50 -6.594 -5.096 5.864 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.414 -6.270 6.166 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.463 -4.775 4.922 1.00 0.00 N ATOM 0 H ASN A 50 -4.387 -3.854 3.892 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.924 -3.006 6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.746 -4.205 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.415 -3.050 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.988 -5.506 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.609 -3.796 4.675 1.00 0.00 H new ATOM 834 N SER A 51 -3.066 -5.386 7.181 1.00 0.00 N ATOM 835 CA SER A 51 -2.269 -6.602 7.416 1.00 0.00 C ATOM 836 C SER A 51 -2.085 -6.885 8.922 1.00 0.00 C ATOM 837 O SER A 51 -2.649 -6.186 9.769 1.00 0.00 O ATOM 838 CB SER A 51 -0.907 -6.493 6.705 1.00 0.00 C ATOM 839 OG SER A 51 -0.329 -7.778 6.564 1.00 0.00 O ATOM 0 H SER A 51 -3.210 -4.841 8.031 1.00 0.00 H new ATOM 0 HA SER A 51 -2.816 -7.446 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.035 -6.034 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.241 -5.846 7.276 1.00 0.00 H new ATOM 0 HG SER A 51 -0.071 -7.920 5.629 1.00 0.00 H new ATOM 845 N THR A 52 -1.270 -7.888 9.276 1.00 0.00 N ATOM 846 CA THR A 52 -0.860 -8.214 10.657 1.00 0.00 C ATOM 847 C THR A 52 0.160 -7.235 11.235 1.00 0.00 C ATOM 848 O THR A 52 0.415 -7.254 12.438 1.00 0.00 O ATOM 849 CB THR A 52 -0.278 -9.631 10.718 1.00 0.00 C ATOM 850 OG1 THR A 52 0.797 -9.723 9.802 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.328 -10.689 10.371 1.00 0.00 C ATOM 0 H THR A 52 -0.861 -8.520 8.587 1.00 0.00 H new ATOM 0 HA THR A 52 -1.763 -8.141 11.263 1.00 0.00 H new ATOM 0 HB THR A 52 0.063 -9.818 11.736 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.178 -10.625 9.834 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.878 -11.680 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.155 -10.627 11.079 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.701 -10.514 9.362 1.00 0.00 H new ATOM 859 N ASN A 53 0.747 -6.386 10.390 1.00 0.00 N ATOM 860 CA ASN A 53 1.879 -5.516 10.710 1.00 0.00 C ATOM 861 C ASN A 53 1.851 -4.215 9.888 1.00 0.00 C ATOM 862 O ASN A 53 1.349 -4.176 8.762 1.00 0.00 O ATOM 863 CB ASN A 53 3.186 -6.302 10.504 1.00 0.00 C ATOM 864 CG ASN A 53 3.443 -6.627 9.036 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.088 -5.862 8.329 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.933 -7.738 8.536 1.00 0.00 N ATOM 0 H ASN A 53 0.434 -6.282 9.425 1.00 0.00 H new ATOM 0 HA ASN A 53 1.811 -5.210 11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.021 -5.722 10.897 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.144 -7.229 11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.074 -7.966 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.398 -8.368 9.134 1.00 0.00 H new ATOM 873 N LYS A 54 2.419 -3.142 10.447 1.00 0.00 N ATOM 874 CA LYS A 54 2.388 -1.791 9.864 1.00 0.00 C ATOM 875 C LYS A 54 3.112 -1.669 8.509 1.00 0.00 C ATOM 876 O LYS A 54 2.723 -0.852 7.675 1.00 0.00 O ATOM 877 CB LYS A 54 2.991 -0.810 10.887 1.00 0.00 C ATOM 878 CG LYS A 54 2.133 -0.675 12.156 1.00 0.00 C ATOM 879 CD LYS A 54 2.714 0.396 13.090 1.00 0.00 C ATOM 880 CE LYS A 54 1.866 0.506 14.363 1.00 0.00 C ATOM 881 NZ LYS A 54 2.413 1.518 15.305 1.00 0.00 N ATOM 0 H LYS A 54 2.923 -3.185 11.333 1.00 0.00 H new ATOM 0 HA LYS A 54 1.346 -1.553 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.990 -1.148 11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.103 0.170 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.111 -0.412 11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.089 -1.632 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.742 0.143 13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.742 1.358 12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.843 0.773 14.097 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.824 -0.465 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.813 1.563 16.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.380 1.250 15.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.430 2.449 14.843 1.00 0.00 H new ATOM 895 N LYS A 55 4.144 -2.480 8.266 1.00 0.00 N ATOM 896 CA LYS A 55 4.964 -2.429 7.043 1.00 0.00 C ATOM 897 C LYS A 55 4.224 -3.009 5.827 1.00 0.00 C ATOM 898 O LYS A 55 4.152 -2.374 4.773 1.00 0.00 O ATOM 899 CB LYS A 55 6.291 -3.165 7.305 1.00 0.00 C ATOM 900 CG LYS A 55 7.168 -2.422 8.331 1.00 0.00 C ATOM 901 CD LYS A 55 8.457 -3.171 8.706 1.00 0.00 C ATOM 902 CE LYS A 55 8.158 -4.500 9.417 1.00 0.00 C ATOM 903 NZ LYS A 55 9.368 -5.061 10.070 1.00 0.00 N ATOM 0 H LYS A 55 4.442 -3.203 8.920 1.00 0.00 H new ATOM 0 HA LYS A 55 5.170 -1.387 6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.082 -4.172 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.839 -3.271 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.432 -1.444 7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.584 -2.248 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.041 -3.364 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.068 -2.542 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.380 -4.345 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.768 -5.218 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.126 -5.957 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.101 -5.233 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.726 -4.387 10.776 1.00 0.00 H new ATOM 917 N ASP A 56 3.596 -4.175 5.982 1.00 0.00 N ATOM 918 CA ASP A 56 2.788 -4.797 4.931 1.00 0.00 C ATOM 919 C ASP A 56 1.433 -4.092 4.751 1.00 0.00 C ATOM 920 O ASP A 56 0.924 -4.022 3.635 1.00 0.00 O ATOM 921 CB ASP A 56 2.621 -6.287 5.237 1.00 0.00 C ATOM 922 CG ASP A 56 2.030 -7.058 4.045 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.719 -7.166 3.002 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.900 -7.583 4.178 1.00 0.00 O ATOM 0 H ASP A 56 3.633 -4.718 6.845 1.00 0.00 H new ATOM 0 HA ASP A 56 3.309 -4.689 3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.589 -6.714 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.972 -6.408 6.105 1.00 0.00 H new ATOM 929 N ALA A 57 0.891 -3.477 5.811 1.00 0.00 N ATOM 930 CA ALA A 57 -0.294 -2.615 5.713 1.00 0.00 C ATOM 931 C ALA A 57 -0.018 -1.359 4.864 1.00 0.00 C ATOM 932 O ALA A 57 -0.810 -1.043 3.973 1.00 0.00 O ATOM 933 CB ALA A 57 -0.789 -2.269 7.125 1.00 0.00 C ATOM 0 H ALA A 57 1.261 -3.563 6.758 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.085 -3.156 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.669 -1.629 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.048 -3.186 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.002 -1.746 7.668 1.00 0.00 H new ATOM 939 N GLN A 58 1.125 -0.690 5.077 1.00 0.00 N ATOM 940 CA GLN A 58 1.598 0.401 4.211 1.00 0.00 C ATOM 941 C GLN A 58 1.839 -0.074 2.775 1.00 0.00 C ATOM 942 O GLN A 58 1.487 0.632 1.837 1.00 0.00 O ATOM 943 CB GLN A 58 2.912 0.987 4.746 1.00 0.00 C ATOM 944 CG GLN A 58 2.752 1.944 5.930 1.00 0.00 C ATOM 945 CD GLN A 58 4.121 2.318 6.495 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.890 3.069 5.904 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.498 1.773 7.632 1.00 0.00 N ATOM 0 H GLN A 58 1.750 -0.891 5.858 1.00 0.00 H new ATOM 0 HA GLN A 58 0.815 1.159 4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.564 0.167 5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.415 1.515 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.224 2.843 5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.146 1.476 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.866 1.147 8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.422 1.977 8.014 1.00 0.00 H new ATOM 956 N SER A 59 2.409 -1.265 2.584 1.00 0.00 N ATOM 957 CA SER A 59 2.649 -1.824 1.243 1.00 0.00 C ATOM 958 C SER A 59 1.338 -2.094 0.487 1.00 0.00 C ATOM 959 O SER A 59 1.240 -1.825 -0.711 1.00 0.00 O ATOM 960 CB SER A 59 3.472 -3.114 1.340 1.00 0.00 C ATOM 961 OG SER A 59 4.736 -2.884 1.946 1.00 0.00 O ATOM 0 H SER A 59 2.717 -1.869 3.346 1.00 0.00 H new ATOM 0 HA SER A 59 3.209 -1.078 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.920 -3.855 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.616 -3.530 0.343 1.00 0.00 H new ATOM 0 HG SER A 59 4.614 -2.719 2.904 1.00 0.00 H new ATOM 967 N ASN A 60 0.296 -2.549 1.189 1.00 0.00 N ATOM 968 CA ASN A 60 -1.029 -2.771 0.609 1.00 0.00 C ATOM 969 C ASN A 60 -1.752 -1.440 0.319 1.00 0.00 C ATOM 970 O ASN A 60 -2.396 -1.312 -0.725 1.00 0.00 O ATOM 971 CB ASN A 60 -1.840 -3.711 1.524 1.00 0.00 C ATOM 972 CG ASN A 60 -1.265 -5.132 1.582 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.583 -5.598 0.675 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.533 -5.877 2.639 1.00 0.00 N ATOM 0 H ASN A 60 0.350 -2.775 2.182 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.921 -3.260 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.868 -3.295 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.870 -3.756 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.174 -6.830 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.099 -5.499 3.399 1.00 0.00 H new ATOM 981 N ALA A 61 -1.583 -0.418 1.170 1.00 0.00 N ATOM 982 CA ALA A 61 -2.077 0.940 0.913 1.00 0.00 C ATOM 983 C ALA A 61 -1.380 1.584 -0.296 1.00 0.00 C ATOM 984 O ALA A 61 -2.044 2.170 -1.153 1.00 0.00 O ATOM 985 CB ALA A 61 -1.894 1.780 2.183 1.00 0.00 C ATOM 0 H ALA A 61 -1.096 -0.512 2.061 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.136 0.892 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.257 2.792 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.457 1.331 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.837 1.815 2.447 1.00 0.00 H new ATOM 991 N ALA A 62 -0.058 1.420 -0.408 1.00 0.00 N ATOM 992 CA ALA A 62 0.739 1.882 -1.541 1.00 0.00 C ATOM 993 C ALA A 62 0.304 1.205 -2.846 1.00 0.00 C ATOM 994 O ALA A 62 0.030 1.901 -3.826 1.00 0.00 O ATOM 995 CB ALA A 62 2.221 1.643 -1.224 1.00 0.00 C ATOM 0 H ALA A 62 0.498 0.950 0.306 1.00 0.00 H new ATOM 0 HA ALA A 62 0.580 2.949 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.831 1.983 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.495 2.197 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.391 0.579 -1.059 1.00 0.00 H new ATOM 1001 N ARG A 63 0.148 -0.127 -2.850 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.355 -0.863 -4.013 1.00 0.00 C ATOM 1003 C ARG A 63 -1.729 -0.353 -4.458 1.00 0.00 C ATOM 1004 O ARG A 63 -1.946 -0.168 -5.651 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.398 -2.376 -3.718 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.796 -3.223 -4.941 1.00 0.00 C ATOM 1007 CD ARG A 63 0.189 -3.156 -6.124 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.516 -3.311 -7.406 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.218 -4.104 -8.427 1.00 0.00 C ATOM 1010 NH1 ARG A 63 0.826 -4.908 -8.433 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.999 -4.072 -9.482 1.00 0.00 N ATOM 0 H ARG A 63 0.367 -0.720 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 63 0.336 -0.690 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.581 -2.698 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.106 -2.562 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.895 -4.262 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.778 -2.899 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.717 -2.203 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.940 -3.939 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.346 -2.730 -7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.449 -4.940 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.011 -5.498 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.807 -3.450 -9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.798 -4.669 -10.284 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.628 -0.059 -3.519 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.971 0.448 -3.815 1.00 0.00 C ATOM 1027 C ASP A 64 -3.971 1.884 -4.383 1.00 0.00 C ATOM 1028 O ASP A 64 -4.831 2.213 -5.200 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.823 0.323 -2.546 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.315 0.566 -2.811 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.916 -0.199 -3.603 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.878 1.497 -2.193 1.00 0.00 O ATOM 0 H ASP A 64 -2.444 -0.167 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.405 -0.157 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.691 -0.672 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.469 1.037 -1.803 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.971 2.713 -4.041 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.776 4.022 -4.675 1.00 0.00 C ATOM 1039 C PHE A 65 -2.056 3.923 -6.029 1.00 0.00 C ATOM 1040 O PHE A 65 -2.431 4.621 -6.966 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.043 4.984 -3.733 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.108 6.422 -4.217 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.294 7.162 -4.057 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -1.014 7.001 -4.884 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.389 8.470 -4.564 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.106 8.314 -5.380 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.293 9.046 -5.226 1.00 0.00 C ATOM 0 H PHE A 65 -2.281 2.495 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.769 4.423 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.480 4.918 -2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.000 4.679 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.136 6.723 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.102 6.437 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.304 9.031 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.260 8.760 -5.881 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.364 10.051 -5.616 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.074 3.028 -6.176 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.423 2.754 -7.475 1.00 0.00 C ATOM 1059 C VAL A 66 -1.444 2.219 -8.486 1.00 0.00 C ATOM 1060 O VAL A 66 -1.467 2.663 -9.633 1.00 0.00 O ATOM 1061 CB VAL A 66 0.770 1.785 -7.328 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.348 1.345 -8.683 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.891 2.462 -6.529 1.00 0.00 C ATOM 0 H VAL A 66 -0.704 2.472 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.025 3.697 -7.850 1.00 0.00 H new ATOM 0 HB VAL A 66 0.393 0.901 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.184 0.665 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.575 0.837 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.695 2.220 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.731 1.775 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.218 3.361 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.521 2.732 -5.540 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.349 1.346 -8.042 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.502 0.895 -8.835 1.00 0.00 C ATOM 1075 C ASN A 67 -4.349 2.086 -9.331 1.00 0.00 C ATOM 1076 O ASN A 67 -4.612 2.184 -10.530 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.366 -0.093 -8.030 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.746 -1.474 -7.831 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.796 -1.880 -8.493 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -4.290 -2.259 -6.916 1.00 0.00 N ATOM 0 H ASN A 67 -2.305 0.926 -7.114 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.116 0.377 -9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.573 0.341 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.325 -0.210 -8.535 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.920 -3.197 -6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.080 -1.926 -6.363 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.690 3.050 -8.467 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.366 4.293 -8.877 1.00 0.00 C ATOM 1089 C TYR A 68 -4.548 5.101 -9.903 1.00 0.00 C ATOM 1090 O TYR A 68 -5.098 5.513 -10.925 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.725 5.129 -7.640 1.00 0.00 C ATOM 1092 CG TYR A 68 -6.168 6.549 -7.954 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.456 6.789 -8.469 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -5.280 7.627 -7.760 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.857 8.098 -8.796 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.671 8.937 -8.091 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.965 9.178 -8.608 1.00 0.00 C ATOM 1098 OH TYR A 68 -7.361 10.444 -8.919 1.00 0.00 O ATOM 0 H TYR A 68 -4.507 2.993 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.289 4.018 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.522 4.624 -7.093 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.860 5.168 -6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.139 5.965 -8.614 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.295 7.446 -7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.846 8.277 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.984 9.758 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.631 11.071 -8.730 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.231 5.253 -9.702 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.339 5.950 -10.644 1.00 0.00 C ATOM 1110 C LEU A 69 -2.269 5.269 -12.021 1.00 0.00 C ATOM 1111 O LEU A 69 -2.226 5.963 -13.034 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.932 6.094 -10.046 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.793 7.016 -8.819 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.636 6.870 -8.273 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -1.089 8.483 -9.169 1.00 0.00 C ATOM 0 H LEU A 69 -2.751 4.894 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.767 6.939 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.577 5.102 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.267 6.463 -10.826 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.523 6.721 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.760 7.514 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.812 5.833 -7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.351 7.159 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.980 9.099 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.389 8.823 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.108 8.569 -9.547 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.318 3.936 -12.084 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.421 3.177 -13.351 1.00 0.00 C ATOM 1129 C VAL A 70 -3.770 3.428 -14.036 1.00 0.00 C ATOM 1130 O VAL A 70 -3.813 3.668 -15.241 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.198 1.660 -13.142 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.484 0.826 -14.403 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.754 1.375 -12.709 1.00 0.00 C ATOM 0 H VAL A 70 -2.288 3.341 -11.256 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.625 3.540 -14.001 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.904 1.368 -12.365 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.309 -0.228 -14.189 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.522 0.967 -14.705 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.824 1.147 -15.209 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.621 0.302 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.067 1.728 -13.478 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.546 1.892 -11.772 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.863 3.440 -13.261 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.226 3.698 -13.759 1.00 0.00 C ATOM 1145 C ARG A 71 -6.448 5.131 -14.287 1.00 0.00 C ATOM 1146 O ARG A 71 -7.423 5.366 -15.001 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.264 3.345 -12.676 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.385 1.838 -12.388 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.050 1.059 -13.531 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.184 -0.374 -13.201 1.00 0.00 N ATOM 1151 CZ ARG A 71 -9.159 -0.948 -12.504 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -10.164 -0.260 -11.998 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -9.137 -2.248 -12.302 1.00 0.00 N ATOM 0 H ARG A 71 -4.827 3.269 -12.256 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.359 3.048 -14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.999 3.860 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.238 3.724 -12.984 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.392 1.428 -12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.961 1.694 -11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.034 1.480 -13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.460 1.171 -14.441 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.448 -0.990 -13.546 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.212 0.749 -12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.894 -0.737 -11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.374 -2.810 -12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.883 -2.694 -11.768 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.532 6.070 -14.012 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.498 7.430 -14.602 1.00 0.00 C ATOM 1169 C ILE A 72 -4.269 7.672 -15.506 1.00 0.00 C ATOM 1170 O ILE A 72 -4.003 8.810 -15.892 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.661 8.519 -13.511 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.447 8.570 -12.560 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.980 8.317 -12.742 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.445 9.764 -11.603 1.00 0.00 C ATOM 0 H ILE A 72 -4.769 5.907 -13.355 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.358 7.505 -15.267 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.704 9.488 -14.009 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.420 7.651 -11.975 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.535 8.596 -13.156 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.079 9.090 -11.980 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.819 8.381 -13.435 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.977 7.336 -12.266 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.558 9.722 -10.971 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.438 10.690 -12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.337 9.731 -10.978 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.504 6.619 -15.824 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.349 6.619 -16.739 1.00 0.00 C ATOM 1188 C ASN A 73 -1.125 7.425 -16.233 1.00 0.00 C ATOM 1189 O ASN A 73 -0.220 7.740 -17.008 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.783 7.009 -18.169 1.00 0.00 C ATOM 1191 CG ASN A 73 -3.933 6.151 -18.689 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -5.097 6.532 -18.637 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -3.645 4.966 -19.201 1.00 0.00 N ATOM 0 H ASN A 73 -3.681 5.695 -15.431 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.983 5.593 -16.767 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.083 8.057 -18.180 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.931 6.914 -18.842 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.392 4.368 -19.553 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.676 4.651 -19.243 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.067 7.728 -14.930 1.00 0.00 N ATOM 1201 CA GLU A 74 0.061 8.405 -14.263 1.00 0.00 C ATOM 1202 C GLU A 74 1.195 7.437 -13.855 1.00 0.00 C ATOM 1203 O GLU A 74 2.300 7.873 -13.525 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.465 9.195 -13.050 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.196 10.494 -13.424 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.236 11.665 -13.698 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.753 11.511 -14.451 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.431 12.761 -13.125 1.00 0.00 O ATOM 0 H GLU A 74 -1.826 7.503 -14.287 1.00 0.00 H new ATOM 0 HA GLU A 74 0.508 9.092 -14.982 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.143 8.559 -12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.372 9.436 -12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.808 10.318 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.874 10.769 -12.616 1.00 0.00 H new ATOM 1215 N VAL A 75 0.944 6.126 -13.931 1.00 0.00 N ATOM 1216 CA VAL A 75 1.929 5.035 -13.812 1.00 0.00 C ATOM 1217 C VAL A 75 1.658 4.029 -14.939 1.00 0.00 C ATOM 1218 O VAL A 75 0.503 3.707 -15.211 1.00 0.00 O ATOM 1219 CB VAL A 75 1.837 4.326 -12.435 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.758 3.099 -12.354 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.248 5.224 -11.263 1.00 0.00 C ATOM 0 H VAL A 75 -0.001 5.774 -14.085 1.00 0.00 H new ATOM 0 HA VAL A 75 2.934 5.449 -13.893 1.00 0.00 H new ATOM 0 HB VAL A 75 0.786 4.049 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.660 2.635 -11.373 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.476 2.381 -13.125 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.792 3.409 -12.507 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.161 4.667 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.280 5.548 -11.397 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.596 6.097 -11.227 1.00 0.00 H new ATOM 1231 N LYS A 76 2.710 3.516 -15.588 1.00 0.00 N ATOM 1232 CA LYS A 76 2.596 2.389 -16.526 1.00 0.00 C ATOM 1233 C LYS A 76 2.617 1.061 -15.754 1.00 0.00 C ATOM 1234 O LYS A 76 3.556 0.789 -15.004 1.00 0.00 O ATOM 1235 CB LYS A 76 3.731 2.421 -17.565 1.00 0.00 C ATOM 1236 CG LYS A 76 3.738 3.708 -18.406 1.00 0.00 C ATOM 1237 CD LYS A 76 4.834 3.655 -19.479 1.00 0.00 C ATOM 1238 CE LYS A 76 4.820 4.947 -20.308 1.00 0.00 C ATOM 1239 NZ LYS A 76 5.861 4.933 -21.368 1.00 0.00 N ATOM 0 H LYS A 76 3.661 3.868 -15.480 1.00 0.00 H new ATOM 0 HA LYS A 76 1.649 2.477 -17.058 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.688 2.323 -17.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.634 1.561 -18.228 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.766 3.843 -18.880 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.899 4.570 -17.758 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.809 3.525 -19.009 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.677 2.794 -20.129 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.838 5.076 -20.764 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.981 5.802 -19.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.820 5.822 -21.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.800 4.835 -20.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.693 4.132 -22.009 1.00 0.00 H new ATOM 1253 N SER A 77 1.619 0.203 -15.958 1.00 0.00 N ATOM 1254 CA SER A 77 1.490 -1.086 -15.254 1.00 0.00 C ATOM 1255 C SER A 77 2.734 -1.982 -15.393 1.00 0.00 C ATOM 1256 O SER A 77 3.126 -2.647 -14.432 1.00 0.00 O ATOM 1257 CB SER A 77 0.247 -1.828 -15.763 1.00 0.00 C ATOM 1258 OG SER A 77 0.259 -1.937 -17.182 1.00 0.00 O ATOM 0 H SER A 77 0.865 0.379 -16.623 1.00 0.00 H new ATOM 0 HA SER A 77 1.389 -0.860 -14.192 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.207 -2.823 -15.319 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.651 -1.300 -15.444 1.00 0.00 H new ATOM 0 HG SER A 77 -0.543 -2.415 -17.480 1.00 0.00 H new ATOM 1264 N GLU A 78 3.426 -1.913 -16.538 1.00 0.00 N ATOM 1265 CA GLU A 78 4.633 -2.696 -16.841 1.00 0.00 C ATOM 1266 C GLU A 78 5.806 -2.420 -15.877 1.00 0.00 C ATOM 1267 O GLU A 78 6.706 -3.253 -15.749 1.00 0.00 O ATOM 1268 CB GLU A 78 5.083 -2.426 -18.289 1.00 0.00 C ATOM 1269 CG GLU A 78 4.016 -2.797 -19.329 1.00 0.00 C ATOM 1270 CD GLU A 78 4.564 -2.652 -20.756 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.488 -1.539 -21.327 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.069 -3.653 -21.320 1.00 0.00 O ATOM 0 H GLU A 78 3.154 -1.293 -17.301 1.00 0.00 H new ATOM 0 HA GLU A 78 4.360 -3.743 -16.712 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.334 -1.370 -18.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.992 -2.991 -18.492 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.685 -3.822 -19.165 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.143 -2.156 -19.204 1.00 0.00 H new ATOM 1279 N GLU A 79 5.785 -1.287 -15.164 1.00 0.00 N ATOM 1280 CA GLU A 79 6.797 -0.907 -14.174 1.00 0.00 C ATOM 1281 C GLU A 79 6.452 -1.365 -12.742 1.00 0.00 C ATOM 1282 O GLU A 79 7.329 -1.391 -11.879 1.00 0.00 O ATOM 1283 CB GLU A 79 6.956 0.622 -14.176 1.00 0.00 C ATOM 1284 CG GLU A 79 7.451 1.217 -15.504 1.00 0.00 C ATOM 1285 CD GLU A 79 8.854 0.719 -15.886 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.839 1.087 -15.203 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.987 -0.022 -16.889 1.00 0.00 O ATOM 0 H GLU A 79 5.044 -0.593 -15.263 1.00 0.00 H new ATOM 0 HA GLU A 79 7.722 -1.407 -14.461 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.995 1.073 -13.928 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.653 0.902 -13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.749 0.960 -16.297 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.463 2.304 -15.429 1.00 0.00 H new ATOM 1294 N VAL A 80 5.193 -1.728 -12.477 1.00 0.00 N ATOM 1295 CA VAL A 80 4.667 -1.967 -11.120 1.00 0.00 C ATOM 1296 C VAL A 80 5.121 -3.342 -10.589 1.00 0.00 C ATOM 1297 O VAL A 80 4.872 -4.348 -11.262 1.00 0.00 O ATOM 1298 CB VAL A 80 3.123 -1.859 -11.077 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.581 -2.055 -9.651 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.642 -0.489 -11.585 1.00 0.00 C ATOM 0 H VAL A 80 4.496 -1.868 -13.208 1.00 0.00 H new ATOM 0 HA VAL A 80 5.075 -1.189 -10.474 1.00 0.00 H new ATOM 0 HB VAL A 80 2.745 -2.649 -11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.494 -1.972 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.867 -3.041 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.997 -1.290 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.554 -0.446 -11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.061 0.299 -10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.970 -0.347 -12.615 1.00 0.00 H new ATOM 1310 N PRO A 81 5.753 -3.422 -9.397 1.00 0.00 N ATOM 1311 CA PRO A 81 6.195 -4.684 -8.806 1.00 0.00 C ATOM 1312 C PRO A 81 5.022 -5.488 -8.224 1.00 0.00 C ATOM 1313 O PRO A 81 4.019 -4.930 -7.774 1.00 0.00 O ATOM 1314 CB PRO A 81 7.211 -4.294 -7.727 1.00 0.00 C ATOM 1315 CG PRO A 81 6.720 -2.923 -7.270 1.00 0.00 C ATOM 1316 CD PRO A 81 6.178 -2.306 -8.559 1.00 0.00 C ATOM 0 HA PRO A 81 6.639 -5.340 -9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.224 -5.012 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.224 -4.247 -8.125 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.947 -3.005 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.527 -2.326 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.344 -1.637 -8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.944 -1.713 -9.059 1.00 0.00 H new