USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 180:sc= 0.839 USER MOD Set 1.2: A 70 THR OG1 : rot -116:sc= -3.94! USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.027 USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 35 THR OG1 : rot 91:sc= 0.789 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.56 K(o=-1.6,f=-7.5!) USER MOD Single : A 7 THR OG1 : rot -24:sc= 1.11 USER MOD Single : A 8 ASN : amide:sc= -2.64! C(o=-2.6!,f=-5.8!) USER MOD Single : A 9 SER OG : rot -98:sc= 0.0875 USER MOD Single : A 10 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.067) USER MOD Single : A 12 SER OG : rot -100:sc= 1.03 USER MOD Single : A 14 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.17) USER MOD Single : A 15 SER OG : rot -95:sc= -6.2! USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0.549 (180deg=-0.0265) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -146:sc= -2.38! USER MOD Single : A 33 TYR OH : rot -73:sc= 0.00218 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 22:sc= 0.281 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -8:sc= 0.119 USER MOD Single : A 49 THR OG1 : rot -112:sc= -0.219 USER MOD Single : A 51 THR OG1 : rot 8:sc= 1.31! USER MOD Single : A 55 SER OG : rot -128:sc= 0.939 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 45:sc= -0.407! USER MOD Single : A 67 CYS SG : rot -8:sc= -0.748 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -0.139 (180deg=-1.18) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -130:sc= -3.79! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.19 K(o=-2.2,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 4 49.705 9.110 7.289 1.00 0.00 N ATOM 34 CA CYS A 4 50.769 9.957 6.676 1.00 0.00 C ATOM 35 C CYS A 4 50.821 9.738 5.157 1.00 0.00 C ATOM 36 O CYS A 4 50.363 10.562 4.389 1.00 0.00 O ATOM 37 CB CYS A 4 52.065 9.493 7.343 1.00 0.00 C ATOM 38 SG CYS A 4 53.162 10.907 7.593 1.00 0.00 S ATOM 0 HA CYS A 4 50.593 11.022 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 4 51.844 9.019 8.299 1.00 0.00 H new ATOM 0 HB3 CYS A 4 52.557 8.744 6.722 1.00 0.00 H new ATOM 43 N THR A 5 51.364 8.634 4.715 1.00 0.00 N ATOM 44 CA THR A 5 51.432 8.368 3.250 1.00 0.00 C ATOM 45 C THR A 5 50.846 6.986 2.952 1.00 0.00 C ATOM 46 O THR A 5 51.474 6.150 2.335 1.00 0.00 O ATOM 47 CB THR A 5 52.925 8.420 2.899 1.00 0.00 C ATOM 48 OG1 THR A 5 53.071 8.569 1.493 1.00 0.00 O ATOM 49 CG2 THR A 5 53.617 7.129 3.349 1.00 0.00 C ATOM 0 H THR A 5 51.763 7.905 5.307 1.00 0.00 H new ATOM 0 HA THR A 5 50.863 9.090 2.665 1.00 0.00 H new ATOM 0 HB THR A 5 53.384 9.266 3.411 1.00 0.00 H new ATOM 0 HG1 THR A 5 54.023 8.604 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 5 54.676 7.176 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 5 53.507 7.014 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 5 53.161 6.277 2.845 1.00 0.00 H new ATOM 57 N ASN A 6 49.647 6.738 3.403 1.00 0.00 N ATOM 58 CA ASN A 6 49.024 5.406 3.162 1.00 0.00 C ATOM 59 C ASN A 6 47.573 5.555 2.697 1.00 0.00 C ATOM 60 O ASN A 6 46.647 5.224 3.409 1.00 0.00 O ATOM 61 CB ASN A 6 49.078 4.704 4.519 1.00 0.00 C ATOM 62 CG ASN A 6 50.108 3.574 4.471 1.00 0.00 C ATOM 63 OD1 ASN A 6 49.963 2.577 5.149 1.00 0.00 O ATOM 64 ND2 ASN A 6 51.150 3.689 3.696 1.00 0.00 N ATOM 0 H ASN A 6 49.073 7.399 3.927 1.00 0.00 H new ATOM 0 HA ASN A 6 49.542 4.849 2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 6 49.343 5.418 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 6 48.096 4.304 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 6 51.843 2.942 3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 6 51.272 4.526 3.126 1.00 0.00 H new ATOM 71 N THR A 7 47.368 6.029 1.500 1.00 0.00 N ATOM 72 CA THR A 7 45.976 6.172 0.987 1.00 0.00 C ATOM 73 C THR A 7 45.650 4.980 0.087 1.00 0.00 C ATOM 74 O THR A 7 44.767 5.036 -0.746 1.00 0.00 O ATOM 75 CB THR A 7 45.967 7.476 0.187 1.00 0.00 C ATOM 76 OG1 THR A 7 44.702 7.632 -0.444 1.00 0.00 O ATOM 77 CG2 THR A 7 47.067 7.439 -0.874 1.00 0.00 C ATOM 0 H THR A 7 48.102 6.323 0.856 1.00 0.00 H new ATOM 0 HA THR A 7 45.233 6.196 1.784 1.00 0.00 H new ATOM 0 HB THR A 7 46.146 8.315 0.859 1.00 0.00 H new ATOM 0 HG1 THR A 7 44.282 6.754 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 7 47.057 8.370 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 7 48.036 7.320 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 7 46.894 6.601 -1.549 1.00 0.00 H new ATOM 85 N ASN A 8 46.366 3.898 0.257 1.00 0.00 N ATOM 86 CA ASN A 8 46.120 2.683 -0.577 1.00 0.00 C ATOM 87 C ASN A 8 47.253 1.658 -0.397 1.00 0.00 C ATOM 88 O ASN A 8 47.104 0.498 -0.723 1.00 0.00 O ATOM 89 CB ASN A 8 46.082 3.188 -2.022 1.00 0.00 C ATOM 90 CG ASN A 8 44.636 3.193 -2.522 1.00 0.00 C ATOM 91 OD1 ASN A 8 43.761 2.633 -1.891 1.00 0.00 O ATOM 92 ND2 ASN A 8 44.346 3.808 -3.637 1.00 0.00 N ATOM 0 H ASN A 8 47.115 3.804 0.942 1.00 0.00 H new ATOM 0 HA ASN A 8 45.195 2.180 -0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 8 46.501 4.193 -2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 8 46.696 2.550 -2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 8 43.385 3.819 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 8 45.081 4.278 -4.166 1.00 0.00 H new ATOM 99 N SER A 9 48.383 2.071 0.118 1.00 0.00 N ATOM 100 CA SER A 9 49.512 1.112 0.311 1.00 0.00 C ATOM 101 C SER A 9 49.695 0.808 1.803 1.00 0.00 C ATOM 102 O SER A 9 48.800 1.008 2.600 1.00 0.00 O ATOM 103 CB SER A 9 50.741 1.835 -0.239 1.00 0.00 C ATOM 104 OG SER A 9 50.397 2.488 -1.453 1.00 0.00 O ATOM 0 H SER A 9 48.572 3.029 0.413 1.00 0.00 H new ATOM 0 HA SER A 9 49.338 0.160 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 9 51.105 2.561 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 9 51.549 1.124 -0.411 1.00 0.00 H new ATOM 0 HG SER A 9 50.665 1.929 -2.212 1.00 0.00 H new ATOM 110 N GLN A 10 50.845 0.318 2.187 1.00 0.00 N ATOM 111 CA GLN A 10 51.074 -0.002 3.628 1.00 0.00 C ATOM 112 C GLN A 10 52.492 0.393 4.052 1.00 0.00 C ATOM 113 O GLN A 10 53.468 -0.130 3.553 1.00 0.00 O ATOM 114 CB GLN A 10 50.890 -1.517 3.727 1.00 0.00 C ATOM 115 CG GLN A 10 49.678 -1.828 4.606 1.00 0.00 C ATOM 116 CD GLN A 10 49.975 -3.052 5.474 1.00 0.00 C ATOM 117 OE1 GLN A 10 49.212 -3.998 5.492 1.00 0.00 O ATOM 118 NE2 GLN A 10 51.058 -3.074 6.201 1.00 0.00 N ATOM 0 H GLN A 10 51.633 0.126 1.568 1.00 0.00 H new ATOM 0 HA GLN A 10 50.391 0.541 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.751 -1.943 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.785 -1.976 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.444 -0.970 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.803 -2.015 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.698 -2.280 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 10 51.264 -3.885 6.784 1.00 0.00 H new ATOM 127 N LEU A 11 52.611 1.311 4.974 1.00 0.00 N ATOM 128 CA LEU A 11 53.964 1.739 5.438 1.00 0.00 C ATOM 129 C LEU A 11 54.199 1.281 6.877 1.00 0.00 C ATOM 130 O LEU A 11 55.040 1.812 7.573 1.00 0.00 O ATOM 131 CB LEU A 11 53.937 3.270 5.374 1.00 0.00 C ATOM 132 CG LEU A 11 55.338 3.861 5.611 1.00 0.00 C ATOM 133 CD1 LEU A 11 56.428 2.909 5.105 1.00 0.00 C ATOM 134 CD2 LEU A 11 55.449 5.191 4.862 1.00 0.00 C ATOM 0 H LEU A 11 51.829 1.784 5.427 1.00 0.00 H new ATOM 0 HA LEU A 11 54.761 1.312 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 11 53.564 3.590 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 11 53.245 3.656 6.123 1.00 0.00 H new ATOM 0 HG LEU A 11 55.478 4.011 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 11 57.408 3.350 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 11 56.355 1.959 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 11 56.296 2.740 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 56.439 5.618 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 55.296 5.022 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 11 54.691 5.881 5.232 1.00 0.00 H new ATOM 146 N SER A 12 53.457 0.309 7.333 1.00 0.00 N ATOM 147 CA SER A 12 53.641 -0.165 8.732 1.00 0.00 C ATOM 148 C SER A 12 53.546 1.018 9.700 1.00 0.00 C ATOM 149 O SER A 12 54.454 1.814 9.814 1.00 0.00 O ATOM 150 CB SER A 12 55.039 -0.773 8.756 1.00 0.00 C ATOM 151 OG SER A 12 55.418 -1.029 10.103 1.00 0.00 O ATOM 0 H SER A 12 52.735 -0.175 6.799 1.00 0.00 H new ATOM 0 HA SER A 12 52.881 -0.885 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.056 -1.698 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.752 -0.093 8.289 1.00 0.00 H new ATOM 0 HG SER A 12 56.009 -0.313 10.418 1.00 0.00 H new ATOM 157 N ALA A 13 52.451 1.138 10.399 1.00 0.00 N ATOM 158 CA ALA A 13 52.298 2.271 11.358 1.00 0.00 C ATOM 159 C ALA A 13 53.595 2.483 12.147 1.00 0.00 C ATOM 160 O ALA A 13 53.859 3.560 12.646 1.00 0.00 O ATOM 161 CB ALA A 13 51.166 1.844 12.293 1.00 0.00 C ATOM 0 H ALA A 13 51.656 0.502 10.348 1.00 0.00 H new ATOM 0 HA ALA A 13 52.080 3.212 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 13 50.990 2.626 13.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.257 1.681 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 13 51.443 0.920 12.801 1.00 0.00 H new ATOM 167 N ASN A 14 54.402 1.464 12.273 1.00 0.00 N ATOM 168 CA ASN A 14 55.672 1.607 13.041 1.00 0.00 C ATOM 169 C ASN A 14 56.813 2.111 12.146 1.00 0.00 C ATOM 170 O ASN A 14 57.937 2.239 12.589 1.00 0.00 O ATOM 171 CB ASN A 14 55.980 0.195 13.543 1.00 0.00 C ATOM 172 CG ASN A 14 55.842 0.148 15.066 1.00 0.00 C ATOM 173 OD1 ASN A 14 56.397 0.973 15.764 1.00 0.00 O ATOM 174 ND2 ASN A 14 55.123 -0.792 15.616 1.00 0.00 N ATOM 0 H ASN A 14 54.236 0.539 11.877 1.00 0.00 H new ATOM 0 HA ASN A 14 55.575 2.332 13.849 1.00 0.00 H new ATOM 0 HB2 ASN A 14 55.298 -0.521 13.084 1.00 0.00 H new ATOM 0 HB3 ASN A 14 56.990 -0.093 13.251 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.028 -0.833 16.631 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.656 -1.485 15.031 1.00 0.00 H new ATOM 181 N SER A 15 56.553 2.395 10.894 1.00 0.00 N ATOM 182 CA SER A 15 57.659 2.880 10.016 1.00 0.00 C ATOM 183 C SER A 15 57.586 4.401 9.850 1.00 0.00 C ATOM 184 O SER A 15 56.938 5.088 10.614 1.00 0.00 O ATOM 185 CB SER A 15 57.451 2.172 8.676 1.00 0.00 C ATOM 186 OG SER A 15 57.046 3.121 7.698 1.00 0.00 O ATOM 0 H SER A 15 55.639 2.314 10.449 1.00 0.00 H new ATOM 0 HA SER A 15 58.641 2.662 10.437 1.00 0.00 H new ATOM 0 HB2 SER A 15 58.374 1.683 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 15 56.696 1.393 8.777 1.00 0.00 H new ATOM 0 HG SER A 15 56.068 3.127 7.634 1.00 0.00 H new ATOM 192 N LYS A 16 58.255 4.930 8.862 1.00 0.00 N ATOM 193 CA LYS A 16 58.234 6.407 8.650 1.00 0.00 C ATOM 194 C LYS A 16 57.476 6.750 7.365 1.00 0.00 C ATOM 195 O LYS A 16 57.254 5.907 6.522 1.00 0.00 O ATOM 196 CB LYS A 16 59.704 6.805 8.528 1.00 0.00 C ATOM 197 CG LYS A 16 59.951 8.101 9.300 1.00 0.00 C ATOM 198 CD LYS A 16 61.299 8.690 8.883 1.00 0.00 C ATOM 199 CE LYS A 16 61.644 9.872 9.792 1.00 0.00 C ATOM 200 NZ LYS A 16 62.813 9.415 10.592 1.00 0.00 N ATOM 0 H LYS A 16 58.816 4.404 8.192 1.00 0.00 H new ATOM 0 HA LYS A 16 57.732 6.934 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 16 60.340 6.010 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.969 6.939 7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 16 59.152 8.815 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 16 59.943 7.906 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.076 7.929 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 61.259 9.016 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 16 61.888 10.760 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.804 10.134 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 62.583 9.469 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 63.042 8.432 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 63.631 10.024 10.390 1.00 0.00 H new ATOM 214 N CYS A 17 57.073 7.982 7.217 1.00 0.00 N ATOM 215 CA CYS A 17 56.322 8.382 5.992 1.00 0.00 C ATOM 216 C CYS A 17 56.952 9.624 5.352 1.00 0.00 C ATOM 217 O CYS A 17 56.395 10.703 5.398 1.00 0.00 O ATOM 218 CB CYS A 17 54.915 8.704 6.493 1.00 0.00 C ATOM 219 SG CYS A 17 55.000 10.079 7.670 1.00 0.00 S ATOM 0 H CYS A 17 57.231 8.730 7.892 1.00 0.00 H new ATOM 0 HA CYS A 17 56.329 7.600 5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.269 8.967 5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.477 7.828 6.971 1.00 0.00 H new ATOM 224 N GLU A 18 58.105 9.487 4.756 1.00 0.00 N ATOM 225 CA GLU A 18 58.751 10.674 4.120 1.00 0.00 C ATOM 226 C GLU A 18 58.627 10.600 2.596 1.00 0.00 C ATOM 227 O GLU A 18 59.605 10.684 1.880 1.00 0.00 O ATOM 228 CB GLU A 18 60.220 10.607 4.536 1.00 0.00 C ATOM 229 CG GLU A 18 60.625 11.926 5.197 1.00 0.00 C ATOM 230 CD GLU A 18 62.151 12.040 5.214 1.00 0.00 C ATOM 231 OE1 GLU A 18 62.748 11.896 4.160 1.00 0.00 O ATOM 232 OE2 GLU A 18 62.696 12.269 6.280 1.00 0.00 O ATOM 0 H GLU A 18 58.625 8.613 4.681 1.00 0.00 H new ATOM 0 HA GLU A 18 58.280 11.606 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 18 60.376 9.779 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 18 60.847 10.417 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 18 60.193 12.766 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 18 60.235 11.971 6.214 1.00 0.00 H new ATOM 319 N ASN A 24 51.332 0.647 -4.118 1.00 0.00 N ATOM 320 CA ASN A 24 51.869 -0.740 -4.192 1.00 0.00 C ATOM 321 C ASN A 24 53.087 -0.882 -3.278 1.00 0.00 C ATOM 322 O ASN A 24 54.199 -1.054 -3.736 1.00 0.00 O ATOM 323 CB ASN A 24 52.276 -0.929 -5.652 1.00 0.00 C ATOM 324 CG ASN A 24 51.482 -2.086 -6.258 1.00 0.00 C ATOM 325 OD1 ASN A 24 51.753 -3.237 -5.979 1.00 0.00 O ATOM 326 ND2 ASN A 24 50.504 -1.828 -7.080 1.00 0.00 N ATOM 0 HA ASN A 24 51.139 -1.483 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 24 52.090 -0.013 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 24 53.345 -1.133 -5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 24 49.966 -2.592 -7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 24 50.276 -0.862 -7.314 1.00 0.00 H new ATOM 333 N CYS A 25 52.889 -0.813 -1.991 1.00 0.00 N ATOM 334 CA CYS A 25 54.047 -0.944 -1.061 1.00 0.00 C ATOM 335 C CYS A 25 53.594 -1.473 0.298 1.00 0.00 C ATOM 336 O CYS A 25 52.886 -0.814 1.034 1.00 0.00 O ATOM 337 CB CYS A 25 54.609 0.469 -0.919 1.00 0.00 C ATOM 338 SG CYS A 25 55.894 0.746 -2.166 1.00 0.00 S ATOM 0 H CYS A 25 51.983 -0.673 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 25 54.790 -1.646 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 25 53.811 1.201 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.023 0.607 0.080 1.00 0.00 H new ATOM 343 N TYR A 26 54.020 -2.653 0.640 1.00 0.00 N ATOM 344 CA TYR A 26 53.651 -3.240 1.959 1.00 0.00 C ATOM 345 C TYR A 26 54.892 -3.254 2.851 1.00 0.00 C ATOM 346 O TYR A 26 55.833 -3.981 2.602 1.00 0.00 O ATOM 347 CB TYR A 26 53.196 -4.667 1.651 1.00 0.00 C ATOM 348 CG TYR A 26 51.807 -4.651 1.061 1.00 0.00 C ATOM 349 CD1 TYR A 26 51.612 -4.234 -0.262 1.00 0.00 C ATOM 350 CD2 TYR A 26 50.714 -5.063 1.832 1.00 0.00 C ATOM 351 CE1 TYR A 26 50.326 -4.229 -0.812 1.00 0.00 C ATOM 352 CE2 TYR A 26 49.427 -5.056 1.283 1.00 0.00 C ATOM 353 CZ TYR A 26 49.232 -4.640 -0.041 1.00 0.00 C ATOM 354 OH TYR A 26 47.964 -4.637 -0.585 1.00 0.00 O ATOM 0 H TYR A 26 54.614 -3.244 0.058 1.00 0.00 H new ATOM 0 HA TYR A 26 52.871 -2.679 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.890 -5.136 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 26 53.206 -5.265 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.455 -3.916 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 26 50.864 -5.387 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 26 50.177 -3.908 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 26 48.584 -5.371 1.880 1.00 0.00 H new ATOM 0 HH TYR A 26 47.320 -4.952 0.084 1.00 0.00 H new ATOM 364 N VAL A 27 54.924 -2.448 3.873 1.00 0.00 N ATOM 365 CA VAL A 27 56.133 -2.418 4.745 1.00 0.00 C ATOM 366 C VAL A 27 55.806 -2.919 6.157 1.00 0.00 C ATOM 367 O VAL A 27 54.660 -3.004 6.553 1.00 0.00 O ATOM 368 CB VAL A 27 56.555 -0.946 4.792 1.00 0.00 C ATOM 369 CG1 VAL A 27 57.994 -0.841 5.296 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.462 -0.331 3.393 1.00 0.00 C ATOM 0 H VAL A 27 54.173 -1.813 4.143 1.00 0.00 H new ATOM 0 HA VAL A 27 56.921 -3.064 4.359 1.00 0.00 H new ATOM 0 HB VAL A 27 55.890 -0.407 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 27 58.292 0.207 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.061 -1.269 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.656 -1.386 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.764 0.716 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.121 -0.872 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.435 -0.399 3.033 1.00 0.00 H new ATOM 380 N ASP A 28 56.817 -3.241 6.920 1.00 0.00 N ATOM 381 CA ASP A 28 56.589 -3.727 8.312 1.00 0.00 C ATOM 382 C ASP A 28 57.767 -3.321 9.205 1.00 0.00 C ATOM 383 O ASP A 28 58.862 -3.830 9.069 1.00 0.00 O ATOM 384 CB ASP A 28 56.508 -5.248 8.192 1.00 0.00 C ATOM 385 CG ASP A 28 56.228 -5.854 9.568 1.00 0.00 C ATOM 386 OD1 ASP A 28 57.179 -6.074 10.300 1.00 0.00 O ATOM 387 OD2 ASP A 28 55.069 -6.086 9.867 1.00 0.00 O ATOM 0 H ASP A 28 57.796 -3.188 6.637 1.00 0.00 H new ATOM 0 HA ASP A 28 55.687 -3.307 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.720 -5.527 7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 28 57.442 -5.642 7.793 1.00 0.00 H new ATOM 392 N LYS A 29 57.555 -2.408 10.115 1.00 0.00 N ATOM 393 CA LYS A 29 58.669 -1.975 11.009 1.00 0.00 C ATOM 394 C LYS A 29 59.866 -1.512 10.171 1.00 0.00 C ATOM 395 O LYS A 29 60.927 -2.103 10.209 1.00 0.00 O ATOM 396 CB LYS A 29 59.030 -3.223 11.817 1.00 0.00 C ATOM 397 CG LYS A 29 59.848 -2.822 13.046 1.00 0.00 C ATOM 398 CD LYS A 29 59.341 -3.588 14.270 1.00 0.00 C ATOM 399 CE LYS A 29 59.388 -2.678 15.498 1.00 0.00 C ATOM 400 NZ LYS A 29 60.160 -3.445 16.514 1.00 0.00 N ATOM 0 H LYS A 29 56.661 -1.944 10.278 1.00 0.00 H new ATOM 0 HA LYS A 29 58.388 -1.140 11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.123 -3.743 12.126 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.600 -3.916 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 60.903 -3.039 12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 29 59.766 -1.748 13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 29 58.321 -3.933 14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.954 -4.474 14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 59.872 -1.729 15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 29 58.385 -2.446 15.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.236 -2.886 17.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.672 -4.340 16.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.112 -3.646 16.148 1.00 0.00 H new ATOM 414 N SER A 30 59.699 -0.466 9.406 1.00 0.00 N ATOM 415 CA SER A 30 60.825 0.020 8.555 1.00 0.00 C ATOM 416 C SER A 30 60.986 1.538 8.659 1.00 0.00 C ATOM 417 O SER A 30 60.395 2.189 9.493 1.00 0.00 O ATOM 418 CB SER A 30 60.414 -0.345 7.133 1.00 0.00 C ATOM 419 OG SER A 30 59.916 -1.677 7.115 1.00 0.00 O ATOM 0 H SER A 30 58.835 0.071 9.333 1.00 0.00 H new ATOM 0 HA SER A 30 61.774 -0.421 8.859 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.651 0.346 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.267 -0.254 6.461 1.00 0.00 H new ATOM 0 HG SER A 30 60.152 -2.103 6.264 1.00 0.00 H new ATOM 425 N GLU A 31 61.768 2.096 7.781 1.00 0.00 N ATOM 426 CA GLU A 31 61.969 3.572 7.763 1.00 0.00 C ATOM 427 C GLU A 31 62.082 4.012 6.308 1.00 0.00 C ATOM 428 O GLU A 31 63.084 3.791 5.656 1.00 0.00 O ATOM 429 CB GLU A 31 63.272 3.829 8.520 1.00 0.00 C ATOM 430 CG GLU A 31 63.658 5.304 8.378 1.00 0.00 C ATOM 431 CD GLU A 31 64.373 5.769 9.648 1.00 0.00 C ATOM 432 OE1 GLU A 31 65.152 4.996 10.181 1.00 0.00 O ATOM 433 OE2 GLU A 31 64.128 6.888 10.066 1.00 0.00 O ATOM 0 H GLU A 31 62.284 1.586 7.064 1.00 0.00 H new ATOM 0 HA GLU A 31 61.151 4.124 8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 31 63.151 3.573 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 31 64.066 3.194 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 31 64.307 5.439 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 31 62.768 5.909 8.207 1.00 0.00 H new ATOM 440 N VAL A 32 61.049 4.600 5.782 1.00 0.00 N ATOM 441 CA VAL A 32 61.079 5.015 4.357 1.00 0.00 C ATOM 442 C VAL A 32 61.284 6.525 4.231 1.00 0.00 C ATOM 443 O VAL A 32 60.760 7.302 5.004 1.00 0.00 O ATOM 444 CB VAL A 32 59.708 4.598 3.831 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.492 5.171 2.431 1.00 0.00 C ATOM 446 CG2 VAL A 32 59.636 3.067 3.785 1.00 0.00 C ATOM 0 H VAL A 32 60.183 4.812 6.278 1.00 0.00 H new ATOM 0 HA VAL A 32 61.898 4.561 3.800 1.00 0.00 H new ATOM 0 HB VAL A 32 58.930 4.982 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.512 4.870 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.546 6.259 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.264 4.794 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.660 2.760 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 32 60.415 2.686 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 32 59.783 2.666 4.788 1.00 0.00 H new ATOM 456 N TYR A 33 62.042 6.942 3.254 1.00 0.00 N ATOM 457 CA TYR A 33 62.284 8.399 3.065 1.00 0.00 C ATOM 458 C TYR A 33 61.655 8.851 1.744 1.00 0.00 C ATOM 459 O TYR A 33 60.698 8.268 1.276 1.00 0.00 O ATOM 460 CB TYR A 33 63.809 8.553 3.031 1.00 0.00 C ATOM 461 CG TYR A 33 64.244 9.450 4.165 1.00 0.00 C ATOM 462 CD1 TYR A 33 63.729 9.251 5.452 1.00 0.00 C ATOM 463 CD2 TYR A 33 65.158 10.484 3.930 1.00 0.00 C ATOM 464 CE1 TYR A 33 64.129 10.085 6.504 1.00 0.00 C ATOM 465 CE2 TYR A 33 65.558 11.319 4.983 1.00 0.00 C ATOM 466 CZ TYR A 33 65.043 11.119 6.268 1.00 0.00 C ATOM 467 OH TYR A 33 65.435 11.943 7.304 1.00 0.00 O ATOM 0 H TYR A 33 62.505 6.335 2.578 1.00 0.00 H new ATOM 0 HA TYR A 33 61.844 9.007 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 33 64.287 7.577 3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 33 64.122 8.976 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 33 63.023 8.454 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.555 10.639 2.938 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.733 9.930 7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.264 12.116 4.802 1.00 0.00 H new ATOM 0 HH TYR A 33 64.701 12.550 7.535 1.00 0.00 H new ATOM 477 N GLY A 34 62.179 9.877 1.135 1.00 0.00 N ATOM 478 CA GLY A 34 61.600 10.344 -0.157 1.00 0.00 C ATOM 479 C GLY A 34 61.833 9.274 -1.227 1.00 0.00 C ATOM 480 O GLY A 34 62.591 9.469 -2.156 1.00 0.00 O ATOM 0 H GLY A 34 62.980 10.411 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.533 10.536 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.062 11.284 -0.458 1.00 0.00 H new ATOM 484 N THR A 35 61.196 8.140 -1.098 1.00 0.00 N ATOM 485 CA THR A 35 61.394 7.053 -2.103 1.00 0.00 C ATOM 486 C THR A 35 60.130 6.858 -2.951 1.00 0.00 C ATOM 487 O THR A 35 59.046 7.250 -2.569 1.00 0.00 O ATOM 488 CB THR A 35 61.685 5.806 -1.263 1.00 0.00 C ATOM 489 OG1 THR A 35 63.033 5.848 -0.815 1.00 0.00 O ATOM 490 CG2 THR A 35 61.465 4.547 -2.103 1.00 0.00 C ATOM 0 H THR A 35 60.548 7.919 -0.342 1.00 0.00 H new ATOM 0 HA THR A 35 62.198 7.277 -2.804 1.00 0.00 H new ATOM 0 HB THR A 35 61.012 5.783 -0.406 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.075 6.301 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.674 3.665 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 35 60.431 4.515 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 35 62.133 4.563 -2.964 1.00 0.00 H new ATOM 498 N THR A 36 60.272 6.258 -4.106 1.00 0.00 N ATOM 499 CA THR A 36 59.090 6.037 -4.994 1.00 0.00 C ATOM 500 C THR A 36 58.419 4.696 -4.667 1.00 0.00 C ATOM 501 O THR A 36 58.723 4.068 -3.673 1.00 0.00 O ATOM 502 CB THR A 36 59.651 6.011 -6.425 1.00 0.00 C ATOM 503 OG1 THR A 36 60.031 4.683 -6.754 1.00 0.00 O ATOM 504 CG2 THR A 36 60.872 6.934 -6.541 1.00 0.00 C ATOM 0 H THR A 36 61.158 5.911 -4.473 1.00 0.00 H new ATOM 0 HA THR A 36 58.338 6.815 -4.864 1.00 0.00 H new ATOM 0 HB THR A 36 58.881 6.361 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 36 60.388 4.661 -7.666 1.00 0.00 H new ATOM 0 HG21 THR A 36 61.256 6.903 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 36 60.581 7.955 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 36 61.647 6.600 -5.851 1.00 0.00 H new ATOM 512 N CYS A 37 57.512 4.253 -5.498 1.00 0.00 N ATOM 513 CA CYS A 37 56.825 2.952 -5.235 1.00 0.00 C ATOM 514 C CYS A 37 55.916 2.583 -6.411 1.00 0.00 C ATOM 515 O CYS A 37 54.838 3.117 -6.567 1.00 0.00 O ATOM 516 CB CYS A 37 56.003 3.186 -3.966 1.00 0.00 C ATOM 517 SG CYS A 37 54.950 1.745 -3.649 1.00 0.00 S ATOM 0 H CYS A 37 57.217 4.735 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 37 57.530 2.130 -5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 37 56.666 3.358 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.389 4.080 -4.078 1.00 0.00 H new ATOM 522 N THR A 38 56.348 1.673 -7.243 1.00 0.00 N ATOM 523 CA THR A 38 55.512 1.267 -8.411 1.00 0.00 C ATOM 524 C THR A 38 55.157 -0.221 -8.314 1.00 0.00 C ATOM 525 O THR A 38 54.499 -0.770 -9.175 1.00 0.00 O ATOM 526 CB THR A 38 56.392 1.533 -9.635 1.00 0.00 C ATOM 527 OG1 THR A 38 56.867 2.872 -9.593 1.00 0.00 O ATOM 528 CG2 THR A 38 55.579 1.318 -10.913 1.00 0.00 C ATOM 0 H THR A 38 57.244 1.193 -7.164 1.00 0.00 H new ATOM 0 HA THR A 38 54.571 1.814 -8.459 1.00 0.00 H new ATOM 0 HB THR A 38 57.238 0.845 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 38 57.432 3.043 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 38 56.209 1.508 -11.782 1.00 0.00 H new ATOM 0 HG22 THR A 38 55.217 0.290 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 38 54.730 2.002 -10.924 1.00 0.00 H new ATOM 536 N GLY A 39 55.589 -0.876 -7.268 1.00 0.00 N ATOM 537 CA GLY A 39 55.277 -2.326 -7.111 1.00 0.00 C ATOM 538 C GLY A 39 56.391 -3.002 -6.308 1.00 0.00 C ATOM 539 O GLY A 39 57.239 -3.677 -6.855 1.00 0.00 O ATOM 0 H GLY A 39 56.145 -0.469 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.321 -2.451 -6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 39 55.182 -2.797 -8.089 1.00 0.00 H new ATOM 543 N SER A 40 56.399 -2.825 -5.015 1.00 0.00 N ATOM 544 CA SER A 40 57.466 -3.456 -4.183 1.00 0.00 C ATOM 545 C SER A 40 56.937 -3.771 -2.780 1.00 0.00 C ATOM 546 O SER A 40 55.855 -3.362 -2.405 1.00 0.00 O ATOM 547 CB SER A 40 58.574 -2.407 -4.108 1.00 0.00 C ATOM 548 OG SER A 40 59.744 -3.000 -3.560 1.00 0.00 O ATOM 0 H SER A 40 55.715 -2.272 -4.498 1.00 0.00 H new ATOM 0 HA SER A 40 57.815 -4.397 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 40 58.784 -2.011 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 40 58.255 -1.567 -3.491 1.00 0.00 H new ATOM 0 HG SER A 40 59.706 -3.972 -3.681 1.00 0.00 H new ATOM 554 N ARG A 41 57.697 -4.493 -2.003 1.00 0.00 N ATOM 555 CA ARG A 41 57.250 -4.835 -0.621 1.00 0.00 C ATOM 556 C ARG A 41 58.393 -4.574 0.370 1.00 0.00 C ATOM 557 O ARG A 41 59.522 -4.962 0.146 1.00 0.00 O ATOM 558 CB ARG A 41 56.888 -6.328 -0.684 1.00 0.00 C ATOM 559 CG ARG A 41 57.205 -7.014 0.653 1.00 0.00 C ATOM 560 CD ARG A 41 56.328 -6.422 1.759 1.00 0.00 C ATOM 561 NE ARG A 41 55.860 -7.599 2.546 1.00 0.00 N ATOM 562 CZ ARG A 41 54.614 -7.980 2.472 1.00 0.00 C ATOM 563 NH1 ARG A 41 54.000 -7.983 1.319 1.00 0.00 N ATOM 564 NH2 ARG A 41 53.982 -8.359 3.548 1.00 0.00 N ATOM 0 H ARG A 41 58.611 -4.862 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 41 56.404 -4.236 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 41 55.829 -6.442 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.445 -6.810 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 41 57.030 -8.087 0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 41 58.258 -6.880 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.892 -5.728 2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.488 -5.866 1.343 1.00 0.00 H new ATOM 0 HE ARG A 41 56.514 -8.106 3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 41 54.494 -7.688 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 41 53.026 -8.281 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 41 54.462 -8.358 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 41 53.008 -8.657 3.489 1.00 0.00 H new ATOM 578 N PHE A 42 58.106 -3.919 1.462 1.00 0.00 N ATOM 579 CA PHE A 42 59.177 -3.633 2.463 1.00 0.00 C ATOM 580 C PHE A 42 58.940 -4.438 3.746 1.00 0.00 C ATOM 581 O PHE A 42 57.850 -4.903 4.010 1.00 0.00 O ATOM 582 CB PHE A 42 59.055 -2.138 2.753 1.00 0.00 C ATOM 583 CG PHE A 42 59.925 -1.346 1.803 1.00 0.00 C ATOM 584 CD1 PHE A 42 59.977 -1.686 0.445 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.670 -0.261 2.280 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.773 -0.942 -0.434 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.467 0.481 1.401 1.00 0.00 C ATOM 588 CZ PHE A 42 61.518 0.142 0.045 1.00 0.00 C ATOM 0 H PHE A 42 57.179 -3.570 1.705 1.00 0.00 H new ATOM 0 HA PHE A 42 60.165 -3.905 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.016 -1.825 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.351 -1.935 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 42 59.403 -2.523 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 42 60.630 0.003 3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 42 60.812 -1.204 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.043 1.316 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.132 0.717 -0.633 1.00 0.00 H new ATOM 598 N ASP A 43 59.956 -4.601 4.547 1.00 0.00 N ATOM 599 CA ASP A 43 59.802 -5.373 5.814 1.00 0.00 C ATOM 600 C ASP A 43 61.076 -5.232 6.646 1.00 0.00 C ATOM 601 O ASP A 43 62.138 -5.648 6.230 1.00 0.00 O ATOM 602 CB ASP A 43 59.605 -6.823 5.374 1.00 0.00 C ATOM 603 CG ASP A 43 59.003 -7.632 6.524 1.00 0.00 C ATOM 604 OD1 ASP A 43 59.588 -7.629 7.595 1.00 0.00 O ATOM 605 OD2 ASP A 43 57.967 -8.240 6.314 1.00 0.00 O ATOM 0 H ASP A 43 60.892 -4.231 4.378 1.00 0.00 H new ATOM 0 HA ASP A 43 58.970 -5.024 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.948 -6.864 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.559 -7.255 5.073 1.00 0.00 H new ATOM 610 N GLY A 44 60.994 -4.633 7.803 1.00 0.00 N ATOM 611 CA GLY A 44 62.229 -4.458 8.617 1.00 0.00 C ATOM 612 C GLY A 44 63.312 -3.908 7.696 1.00 0.00 C ATOM 613 O GLY A 44 64.269 -4.582 7.370 1.00 0.00 O ATOM 0 H GLY A 44 60.138 -4.262 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 44 62.048 -3.774 9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 44 62.541 -5.409 9.050 1.00 0.00 H new ATOM 617 N VAL A 45 63.144 -2.699 7.238 1.00 0.00 N ATOM 618 CA VAL A 45 64.137 -2.111 6.300 1.00 0.00 C ATOM 619 C VAL A 45 64.292 -0.609 6.554 1.00 0.00 C ATOM 620 O VAL A 45 63.332 0.135 6.544 1.00 0.00 O ATOM 621 CB VAL A 45 63.521 -2.371 4.916 1.00 0.00 C ATOM 622 CG1 VAL A 45 64.016 -1.340 3.894 1.00 0.00 C ATOM 623 CG2 VAL A 45 63.903 -3.772 4.441 1.00 0.00 C ATOM 0 H VAL A 45 62.359 -2.092 7.474 1.00 0.00 H new ATOM 0 HA VAL A 45 65.133 -2.540 6.407 1.00 0.00 H new ATOM 0 HB VAL A 45 62.438 -2.287 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 45 63.566 -1.545 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 45 63.733 -0.339 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 45 65.101 -1.402 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 45 63.466 -3.955 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 45 64.988 -3.851 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 45 63.528 -4.511 5.149 1.00 0.00 H new ATOM 633 N THR A 46 65.497 -0.156 6.754 1.00 0.00 N ATOM 634 CA THR A 46 65.708 1.300 6.974 1.00 0.00 C ATOM 635 C THR A 46 66.348 1.909 5.727 1.00 0.00 C ATOM 636 O THR A 46 67.548 1.847 5.537 1.00 0.00 O ATOM 637 CB THR A 46 66.650 1.401 8.173 1.00 0.00 C ATOM 638 OG1 THR A 46 66.139 0.618 9.243 1.00 0.00 O ATOM 639 CG2 THR A 46 66.752 2.863 8.609 1.00 0.00 C ATOM 0 H THR A 46 66.341 -0.728 6.775 1.00 0.00 H new ATOM 0 HA THR A 46 64.777 1.836 7.161 1.00 0.00 H new ATOM 0 HB THR A 46 67.638 1.033 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 46 66.743 0.681 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 46 67.423 2.942 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 46 67.142 3.462 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 46 65.764 3.229 8.888 1.00 0.00 H new ATOM 647 N ILE A 47 65.554 2.477 4.865 1.00 0.00 N ATOM 648 CA ILE A 47 66.112 3.067 3.616 1.00 0.00 C ATOM 649 C ILE A 47 65.939 4.589 3.618 1.00 0.00 C ATOM 650 O ILE A 47 65.129 5.132 4.345 1.00 0.00 O ATOM 651 CB ILE A 47 65.284 2.432 2.500 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.805 2.740 2.741 1.00 0.00 C ATOM 653 CG2 ILE A 47 65.495 0.919 2.506 1.00 0.00 C ATOM 654 CD1 ILE A 47 63.191 3.321 1.465 1.00 0.00 C ATOM 0 H ILE A 47 64.543 2.559 4.970 1.00 0.00 H new ATOM 0 HA ILE A 47 67.180 2.878 3.503 1.00 0.00 H new ATOM 0 HB ILE A 47 65.594 2.836 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.276 1.832 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.699 3.448 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 47 64.904 0.466 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.550 0.698 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 47 65.181 0.512 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.137 3.541 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.714 4.238 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.284 2.598 0.655 1.00 0.00 H new ATOM 666 N THR A 48 66.695 5.282 2.809 1.00 0.00 N ATOM 667 CA THR A 48 66.573 6.765 2.763 1.00 0.00 C ATOM 668 C THR A 48 65.853 7.196 1.477 1.00 0.00 C ATOM 669 O THR A 48 65.199 6.403 0.829 1.00 0.00 O ATOM 670 CB THR A 48 68.022 7.278 2.793 1.00 0.00 C ATOM 671 OG1 THR A 48 68.048 8.583 3.354 1.00 0.00 O ATOM 672 CG2 THR A 48 68.595 7.322 1.374 1.00 0.00 C ATOM 0 H THR A 48 67.391 4.884 2.179 1.00 0.00 H new ATOM 0 HA THR A 48 65.989 7.167 3.591 1.00 0.00 H new ATOM 0 HB THR A 48 68.627 6.603 3.399 1.00 0.00 H new ATOM 0 HG1 THR A 48 67.131 8.908 3.469 1.00 0.00 H new ATOM 0 HG21 THR A 48 69.622 7.687 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 48 68.580 6.320 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 48 67.992 7.990 0.759 1.00 0.00 H new ATOM 680 N THR A 49 65.970 8.441 1.104 1.00 0.00 N ATOM 681 CA THR A 49 65.294 8.913 -0.139 1.00 0.00 C ATOM 682 C THR A 49 65.878 8.200 -1.359 1.00 0.00 C ATOM 683 O THR A 49 66.846 8.645 -1.940 1.00 0.00 O ATOM 684 CB THR A 49 65.592 10.411 -0.209 1.00 0.00 C ATOM 685 OG1 THR A 49 64.963 11.069 0.882 1.00 0.00 O ATOM 686 CG2 THR A 49 65.061 10.980 -1.525 1.00 0.00 C ATOM 0 H THR A 49 66.504 9.151 1.605 1.00 0.00 H new ATOM 0 HA THR A 49 64.223 8.708 -0.128 1.00 0.00 H new ATOM 0 HB THR A 49 66.669 10.569 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.242 11.642 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 49 65.275 12.048 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.545 10.476 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 49 63.984 10.823 -1.581 1.00 0.00 H new ATOM 694 N SER A 50 65.304 7.096 -1.751 1.00 0.00 N ATOM 695 CA SER A 50 65.840 6.361 -2.933 1.00 0.00 C ATOM 696 C SER A 50 64.698 5.835 -3.806 1.00 0.00 C ATOM 697 O SER A 50 63.559 5.775 -3.389 1.00 0.00 O ATOM 698 CB SER A 50 66.642 5.201 -2.347 1.00 0.00 C ATOM 699 OG SER A 50 65.757 4.138 -2.019 1.00 0.00 O ATOM 0 H SER A 50 64.490 6.672 -1.306 1.00 0.00 H new ATOM 0 HA SER A 50 66.450 7.002 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.388 4.860 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.181 5.529 -1.458 1.00 0.00 H new ATOM 0 HG SER A 50 66.268 3.391 -1.644 1.00 0.00 H new ATOM 705 N THR A 51 65.001 5.450 -5.016 1.00 0.00 N ATOM 706 CA THR A 51 63.940 4.923 -5.923 1.00 0.00 C ATOM 707 C THR A 51 64.119 3.414 -6.110 1.00 0.00 C ATOM 708 O THR A 51 64.525 2.953 -7.159 1.00 0.00 O ATOM 709 CB THR A 51 64.150 5.658 -7.249 1.00 0.00 C ATOM 710 OG1 THR A 51 65.267 5.099 -7.926 1.00 0.00 O ATOM 711 CG2 THR A 51 64.403 7.143 -6.981 1.00 0.00 C ATOM 0 H THR A 51 65.939 5.478 -5.417 1.00 0.00 H new ATOM 0 HA THR A 51 62.937 5.081 -5.527 1.00 0.00 H new ATOM 0 HB THR A 51 63.259 5.552 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.570 4.297 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.552 7.663 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 51 63.545 7.571 -6.463 1.00 0.00 H new ATOM 0 HG23 THR A 51 65.293 7.254 -6.362 1.00 0.00 H new ATOM 719 N SER A 52 63.821 2.643 -5.101 1.00 0.00 N ATOM 720 CA SER A 52 63.979 1.165 -5.220 1.00 0.00 C ATOM 721 C SER A 52 62.655 0.466 -4.901 1.00 0.00 C ATOM 722 O SER A 52 62.250 0.377 -3.760 1.00 0.00 O ATOM 723 CB SER A 52 65.042 0.795 -4.187 1.00 0.00 C ATOM 724 OG SER A 52 65.581 -0.481 -4.503 1.00 0.00 O ATOM 0 H SER A 52 63.475 2.972 -4.199 1.00 0.00 H new ATOM 0 HA SER A 52 64.266 0.860 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.833 1.545 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 52 64.605 0.781 -3.188 1.00 0.00 H new ATOM 0 HG SER A 52 66.264 -0.720 -3.842 1.00 0.00 H new ATOM 730 N THR A 53 61.982 -0.033 -5.901 1.00 0.00 N ATOM 731 CA THR A 53 60.687 -0.726 -5.655 1.00 0.00 C ATOM 732 C THR A 53 60.446 -1.794 -6.727 1.00 0.00 C ATOM 733 O THR A 53 60.335 -1.496 -7.899 1.00 0.00 O ATOM 734 CB THR A 53 59.630 0.373 -5.737 1.00 0.00 C ATOM 735 OG1 THR A 53 60.099 1.417 -6.580 1.00 0.00 O ATOM 736 CG2 THR A 53 59.364 0.924 -4.336 1.00 0.00 C ATOM 0 H THR A 53 62.273 0.009 -6.878 1.00 0.00 H new ATOM 0 HA THR A 53 60.666 -1.237 -4.693 1.00 0.00 H new ATOM 0 HB THR A 53 58.707 -0.035 -6.148 1.00 0.00 H new ATOM 0 HG1 THR A 53 59.421 2.123 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 53 58.610 1.709 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 53 59.006 0.121 -3.691 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.286 1.335 -3.926 1.00 0.00 H new ATOM 744 N GLY A 54 60.363 -3.033 -6.329 1.00 0.00 N ATOM 745 CA GLY A 54 60.132 -4.127 -7.317 1.00 0.00 C ATOM 746 C GLY A 54 60.364 -5.472 -6.628 1.00 0.00 C ATOM 747 O GLY A 54 59.751 -6.469 -6.960 1.00 0.00 O ATOM 0 H GLY A 54 60.445 -3.337 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 59.116 -4.074 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 54 60.806 -4.017 -8.166 1.00 0.00 H new ATOM 751 N SER A 55 61.242 -5.500 -5.664 1.00 0.00 N ATOM 752 CA SER A 55 61.521 -6.767 -4.934 1.00 0.00 C ATOM 753 C SER A 55 61.271 -6.562 -3.438 1.00 0.00 C ATOM 754 O SER A 55 61.121 -5.449 -2.974 1.00 0.00 O ATOM 755 CB SER A 55 62.998 -7.060 -5.199 1.00 0.00 C ATOM 756 OG SER A 55 63.623 -7.455 -3.986 1.00 0.00 O ATOM 0 H SER A 55 61.781 -4.694 -5.349 1.00 0.00 H new ATOM 0 HA SER A 55 60.883 -7.589 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 55 63.096 -7.848 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 55 63.489 -6.175 -5.603 1.00 0.00 H new ATOM 0 HG SER A 55 64.424 -6.910 -3.838 1.00 0.00 H new ATOM 762 N ARG A 56 61.225 -7.619 -2.678 1.00 0.00 N ATOM 763 CA ARG A 56 60.987 -7.469 -1.214 1.00 0.00 C ATOM 764 C ARG A 56 62.325 -7.359 -0.481 1.00 0.00 C ATOM 765 O ARG A 56 63.257 -8.084 -0.766 1.00 0.00 O ATOM 766 CB ARG A 56 60.256 -8.745 -0.801 1.00 0.00 C ATOM 767 CG ARG A 56 60.116 -8.783 0.722 1.00 0.00 C ATOM 768 CD ARG A 56 60.382 -10.202 1.226 1.00 0.00 C ATOM 769 NE ARG A 56 59.111 -10.936 0.986 1.00 0.00 N ATOM 770 CZ ARG A 56 59.134 -12.214 0.730 1.00 0.00 C ATOM 771 NH1 ARG A 56 60.033 -12.701 -0.077 1.00 0.00 N ATOM 772 NH2 ARG A 56 58.256 -13.004 1.284 1.00 0.00 N ATOM 0 H ARG A 56 61.341 -8.578 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 56 60.412 -6.575 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 56 59.272 -8.780 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 56 60.805 -9.620 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 56 60.818 -8.086 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 56 59.115 -8.464 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 56 61.212 -10.663 0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.646 -10.203 2.284 1.00 0.00 H new ATOM 0 HE ARG A 56 58.221 -10.439 1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.719 -12.082 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 56 60.051 -13.701 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 56 57.553 -12.621 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 56 58.273 -14.004 1.085 1.00 0.00 H new ATOM 786 N ILE A 57 62.436 -6.456 0.456 1.00 0.00 N ATOM 787 CA ILE A 57 63.729 -6.317 1.184 1.00 0.00 C ATOM 788 C ILE A 57 63.581 -6.686 2.657 1.00 0.00 C ATOM 789 O ILE A 57 62.495 -6.728 3.202 1.00 0.00 O ATOM 790 CB ILE A 57 64.121 -4.849 1.077 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.327 -4.469 -0.395 1.00 0.00 C ATOM 792 CG2 ILE A 57 65.423 -4.639 1.859 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.277 -3.274 -0.483 1.00 0.00 C ATOM 0 H ILE A 57 61.697 -5.816 0.746 1.00 0.00 H new ATOM 0 HA ILE A 57 64.477 -6.982 0.754 1.00 0.00 H new ATOM 0 HB ILE A 57 63.332 -4.220 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 57 64.737 -5.315 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.370 -4.222 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 57 65.721 -3.593 1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 57 65.268 -4.909 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 57 66.207 -5.266 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.425 -3.003 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 57 64.848 -2.428 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 57 66.236 -3.538 -0.038 1.00 0.00 H new ATOM 805 N SER A 58 64.683 -6.927 3.306 1.00 0.00 N ATOM 806 CA SER A 58 64.648 -7.270 4.757 1.00 0.00 C ATOM 807 C SER A 58 65.915 -6.754 5.450 1.00 0.00 C ATOM 808 O SER A 58 66.982 -6.741 4.870 1.00 0.00 O ATOM 809 CB SER A 58 64.579 -8.796 4.812 1.00 0.00 C ATOM 810 OG SER A 58 63.277 -9.193 5.225 1.00 0.00 O ATOM 0 H SER A 58 65.615 -6.901 2.892 1.00 0.00 H new ATOM 0 HA SER A 58 63.800 -6.815 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 58 64.807 -9.217 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 58 65.326 -9.181 5.506 1.00 0.00 H new ATOM 0 HG SER A 58 63.229 -10.171 5.260 1.00 0.00 H new ATOM 816 N GLY A 59 65.815 -6.336 6.685 1.00 0.00 N ATOM 817 CA GLY A 59 67.031 -5.835 7.390 1.00 0.00 C ATOM 818 C GLY A 59 66.640 -5.082 8.663 1.00 0.00 C ATOM 819 O GLY A 59 66.126 -3.984 8.598 1.00 0.00 O ATOM 0 H GLY A 59 64.953 -6.320 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.684 -6.671 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 59 67.596 -5.177 6.730 1.00 0.00 H new ATOM 823 N PRO A 60 66.934 -5.681 9.787 1.00 0.00 N ATOM 824 CA PRO A 60 66.637 -5.028 11.082 1.00 0.00 C ATOM 825 C PRO A 60 67.616 -3.867 11.284 1.00 0.00 C ATOM 826 O PRO A 60 67.519 -3.109 12.228 1.00 0.00 O ATOM 827 CB PRO A 60 66.860 -6.137 12.107 1.00 0.00 C ATOM 828 CG PRO A 60 67.803 -7.091 11.446 1.00 0.00 C ATOM 829 CD PRO A 60 67.562 -6.995 9.960 1.00 0.00 C ATOM 0 HA PRO A 60 65.633 -4.611 11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 60 67.282 -5.741 13.031 1.00 0.00 H new ATOM 0 HB3 PRO A 60 65.922 -6.627 12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 60 68.836 -6.840 11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 60 67.632 -8.108 11.799 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.494 -7.069 9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.913 -7.797 9.608 1.00 0.00 H new ATOM 837 N GLY A 61 68.553 -3.725 10.382 1.00 0.00 N ATOM 838 CA GLY A 61 69.544 -2.623 10.474 1.00 0.00 C ATOM 839 C GLY A 61 70.082 -2.344 9.069 1.00 0.00 C ATOM 840 O GLY A 61 71.215 -1.936 8.897 1.00 0.00 O ATOM 0 H GLY A 61 68.671 -4.338 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 61 69.080 -1.728 10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 61 70.358 -2.899 11.145 1.00 0.00 H new ATOM 844 N CYS A 62 69.277 -2.571 8.059 1.00 0.00 N ATOM 845 CA CYS A 62 69.738 -2.332 6.661 1.00 0.00 C ATOM 846 C CYS A 62 69.847 -0.828 6.378 1.00 0.00 C ATOM 847 O CYS A 62 69.223 -0.013 7.027 1.00 0.00 O ATOM 848 CB CYS A 62 68.645 -2.964 5.790 1.00 0.00 C ATOM 849 SG CYS A 62 68.680 -2.249 4.124 1.00 0.00 S ATOM 0 H CYS A 62 68.320 -2.912 8.146 1.00 0.00 H new ATOM 0 HA CYS A 62 70.724 -2.755 6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 62 68.793 -4.042 5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 62 67.668 -2.799 6.244 1.00 0.00 H new ATOM 854 N LYS A 63 70.634 -0.468 5.400 1.00 0.00 N ATOM 855 CA LYS A 63 70.792 0.971 5.045 1.00 0.00 C ATOM 856 C LYS A 63 70.956 1.113 3.524 1.00 0.00 C ATOM 857 O LYS A 63 71.961 0.718 2.963 1.00 0.00 O ATOM 858 CB LYS A 63 72.070 1.426 5.758 1.00 0.00 C ATOM 859 CG LYS A 63 71.867 1.402 7.277 1.00 0.00 C ATOM 860 CD LYS A 63 71.119 2.662 7.714 1.00 0.00 C ATOM 861 CE LYS A 63 71.963 3.423 8.739 1.00 0.00 C ATOM 862 NZ LYS A 63 72.669 4.474 7.953 1.00 0.00 N ATOM 0 H LYS A 63 71.178 -1.114 4.828 1.00 0.00 H new ATOM 0 HA LYS A 63 69.929 1.567 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 63 72.899 0.774 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.336 2.433 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.304 0.514 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 63 72.831 1.346 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.916 3.296 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.155 2.395 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.338 3.864 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.671 2.761 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.269 5.038 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 73.261 4.025 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 71.970 5.094 7.496 1.00 0.00 H new ATOM 876 N ILE A 64 69.984 1.671 2.848 1.00 0.00 N ATOM 877 CA ILE A 64 70.105 1.831 1.365 1.00 0.00 C ATOM 878 C ILE A 64 70.496 3.276 1.028 1.00 0.00 C ATOM 879 O ILE A 64 70.504 4.137 1.885 1.00 0.00 O ATOM 880 CB ILE A 64 68.718 1.472 0.806 1.00 0.00 C ATOM 881 CG1 ILE A 64 68.870 0.893 -0.603 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.823 2.714 0.744 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.553 0.241 -1.027 1.00 0.00 C ATOM 0 H ILE A 64 69.117 2.021 3.255 1.00 0.00 H new ATOM 0 HA ILE A 64 70.876 1.194 0.933 1.00 0.00 H new ATOM 0 HB ILE A 64 68.257 0.737 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 64 69.141 1.681 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 64 69.675 0.159 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.846 2.439 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.703 3.127 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.282 3.461 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.658 -0.172 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.302 -0.558 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.759 0.988 -1.024 1.00 0.00 H new ATOM 895 N SER A 65 70.830 3.553 -0.205 1.00 0.00 N ATOM 896 CA SER A 65 71.225 4.949 -0.559 1.00 0.00 C ATOM 897 C SER A 65 70.933 5.256 -2.032 1.00 0.00 C ATOM 898 O SER A 65 71.766 5.043 -2.888 1.00 0.00 O ATOM 899 CB SER A 65 72.729 5.001 -0.296 1.00 0.00 C ATOM 900 OG SER A 65 73.020 6.093 0.569 1.00 0.00 O ATOM 0 H SER A 65 70.847 2.883 -0.974 1.00 0.00 H new ATOM 0 HA SER A 65 70.669 5.685 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 65 73.063 4.067 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 65 73.270 5.113 -1.236 1.00 0.00 H new ATOM 0 HG SER A 65 73.984 6.127 0.740 1.00 0.00 H new ATOM 906 N THR A 66 69.765 5.771 -2.322 1.00 0.00 N ATOM 907 CA THR A 66 69.406 6.121 -3.736 1.00 0.00 C ATOM 908 C THR A 66 69.776 4.994 -4.707 1.00 0.00 C ATOM 909 O THR A 66 70.932 4.742 -4.980 1.00 0.00 O ATOM 910 CB THR A 66 70.213 7.385 -4.050 1.00 0.00 C ATOM 911 OG1 THR A 66 71.550 7.220 -3.603 1.00 0.00 O ATOM 912 CG2 THR A 66 69.582 8.584 -3.341 1.00 0.00 C ATOM 0 H THR A 66 69.036 5.967 -1.636 1.00 0.00 H new ATOM 0 HA THR A 66 68.333 6.274 -3.847 1.00 0.00 H new ATOM 0 HB THR A 66 70.210 7.557 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.874 6.332 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.157 9.483 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 66 68.557 8.713 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.582 8.412 -2.265 1.00 0.00 H new ATOM 920 N CYS A 67 68.797 4.323 -5.245 1.00 0.00 N ATOM 921 CA CYS A 67 69.091 3.220 -6.201 1.00 0.00 C ATOM 922 C CYS A 67 68.087 3.236 -7.361 1.00 0.00 C ATOM 923 O CYS A 67 66.929 3.559 -7.186 1.00 0.00 O ATOM 924 CB CYS A 67 68.942 1.943 -5.377 1.00 0.00 C ATOM 925 SG CYS A 67 70.075 2.002 -3.967 1.00 0.00 S ATOM 0 H CYS A 67 67.807 4.490 -5.065 1.00 0.00 H new ATOM 0 HA CYS A 67 70.082 3.309 -6.645 1.00 0.00 H new ATOM 0 HB2 CYS A 67 67.915 1.840 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.158 1.071 -5.995 1.00 0.00 H new ATOM 0 HG CYS A 67 70.867 3.026 -4.089 1.00 0.00 H new ATOM 930 N ILE A 68 68.521 2.885 -8.541 1.00 0.00 N ATOM 931 CA ILE A 68 67.588 2.877 -9.706 1.00 0.00 C ATOM 932 C ILE A 68 66.374 1.999 -9.395 1.00 0.00 C ATOM 933 O ILE A 68 66.265 1.436 -8.323 1.00 0.00 O ATOM 934 CB ILE A 68 68.396 2.280 -10.859 1.00 0.00 C ATOM 935 CG1 ILE A 68 68.762 0.832 -10.523 1.00 0.00 C ATOM 936 CG2 ILE A 68 69.675 3.092 -11.069 1.00 0.00 C ATOM 937 CD1 ILE A 68 68.436 -0.065 -11.719 1.00 0.00 C ATOM 0 H ILE A 68 69.479 2.604 -8.749 1.00 0.00 H new ATOM 0 HA ILE A 68 67.214 3.873 -9.945 1.00 0.00 H new ATOM 0 HB ILE A 68 67.799 2.307 -11.771 1.00 0.00 H new ATOM 0 HG12 ILE A 68 69.822 0.760 -10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 68 68.209 0.500 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 68 70.247 2.663 -11.891 1.00 0.00 H new ATOM 0 HG22 ILE A 68 69.416 4.124 -11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 68 70.274 3.069 -10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 68 68.696 -1.097 -11.482 1.00 0.00 H new ATOM 0 HD12 ILE A 68 67.371 -0.001 -11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.009 0.263 -12.587 1.00 0.00 H new ATOM 949 N ILE A 69 65.464 1.873 -10.321 1.00 0.00 N ATOM 950 CA ILE A 69 64.266 1.024 -10.070 1.00 0.00 C ATOM 951 C ILE A 69 64.707 -0.384 -9.657 1.00 0.00 C ATOM 952 O ILE A 69 65.783 -0.831 -10.002 1.00 0.00 O ATOM 953 CB ILE A 69 63.511 1.007 -11.401 1.00 0.00 C ATOM 954 CG1 ILE A 69 62.727 2.314 -11.548 1.00 0.00 C ATOM 955 CG2 ILE A 69 62.539 -0.173 -11.429 1.00 0.00 C ATOM 956 CD1 ILE A 69 61.935 2.294 -12.857 1.00 0.00 C ATOM 0 H ILE A 69 65.498 2.320 -11.237 1.00 0.00 H new ATOM 0 HA ILE A 69 63.638 1.402 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 69 64.222 0.906 -12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 69 62.050 2.440 -10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 69 63.411 3.163 -11.538 1.00 0.00 H new ATOM 0 HG21 ILE A 69 62.004 -0.181 -12.378 1.00 0.00 H new ATOM 0 HG22 ILE A 69 63.094 -1.104 -11.318 1.00 0.00 H new ATOM 0 HG23 ILE A 69 61.825 -0.076 -10.611 1.00 0.00 H new ATOM 0 HD11 ILE A 69 61.378 3.225 -12.959 1.00 0.00 H new ATOM 0 HD12 ILE A 69 62.622 2.188 -13.696 1.00 0.00 H new ATOM 0 HD13 ILE A 69 61.240 1.454 -12.849 1.00 0.00 H new ATOM 968 N THR A 70 63.897 -1.077 -8.906 1.00 0.00 N ATOM 969 CA THR A 70 64.287 -2.445 -8.455 1.00 0.00 C ATOM 970 C THR A 70 63.648 -3.520 -9.348 1.00 0.00 C ATOM 971 O THR A 70 63.857 -3.546 -10.544 1.00 0.00 O ATOM 972 CB THR A 70 63.768 -2.536 -7.020 1.00 0.00 C ATOM 973 OG1 THR A 70 64.070 -1.330 -6.332 1.00 0.00 O ATOM 974 CG2 THR A 70 64.436 -3.712 -6.307 1.00 0.00 C ATOM 0 H THR A 70 62.983 -0.757 -8.585 1.00 0.00 H new ATOM 0 HA THR A 70 65.363 -2.612 -8.514 1.00 0.00 H new ATOM 0 HB THR A 70 62.689 -2.688 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 70 64.694 -1.518 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 70 64.065 -3.776 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 70 64.204 -4.637 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 70 65.516 -3.563 -6.293 1.00 0.00 H new ATOM 982 N GLY A 71 62.882 -4.418 -8.779 1.00 0.00 N ATOM 983 CA GLY A 71 62.250 -5.488 -9.601 1.00 0.00 C ATOM 984 C GLY A 71 63.127 -6.739 -9.553 1.00 0.00 C ATOM 985 O GLY A 71 63.247 -7.465 -10.518 1.00 0.00 O ATOM 0 H GLY A 71 62.669 -4.454 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 71 61.253 -5.713 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 71 62.132 -5.151 -10.631 1.00 0.00 H new ATOM 989 N GLY A 72 63.741 -6.993 -8.430 1.00 0.00 N ATOM 990 CA GLY A 72 64.613 -8.195 -8.311 1.00 0.00 C ATOM 991 C GLY A 72 66.066 -7.809 -8.593 1.00 0.00 C ATOM 992 O GLY A 72 66.658 -8.251 -9.557 1.00 0.00 O ATOM 0 H GLY A 72 63.676 -6.419 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 72 64.527 -8.621 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 72 64.288 -8.963 -9.013 1.00 0.00 H new ATOM 1091 N LYS A 81 73.544 1.443 -3.498 1.00 0.00 N ATOM 1092 CA LYS A 81 74.340 1.369 -2.240 1.00 0.00 C ATOM 1093 C LYS A 81 73.492 0.743 -1.131 1.00 0.00 C ATOM 1094 O LYS A 81 72.551 1.339 -0.644 1.00 0.00 O ATOM 1095 CB LYS A 81 74.689 2.817 -1.900 1.00 0.00 C ATOM 1096 CG LYS A 81 76.200 3.017 -2.021 1.00 0.00 C ATOM 1097 CD LYS A 81 76.651 2.659 -3.438 1.00 0.00 C ATOM 1098 CE LYS A 81 75.982 3.601 -4.442 1.00 0.00 C ATOM 1099 NZ LYS A 81 76.518 4.949 -4.110 1.00 0.00 N ATOM 0 HA LYS A 81 75.235 0.757 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 81 74.166 3.496 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 81 74.359 3.054 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 81 76.460 4.051 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 81 76.719 2.393 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 81 77.735 2.738 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 81 76.389 1.625 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 81 76.222 3.321 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 81 74.896 3.573 -4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 76.502 5.548 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 75.931 5.383 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 77.496 4.859 -3.768 1.00 0.00 H new ATOM 1113 N ILE A 82 73.807 -0.459 -0.739 1.00 0.00 N ATOM 1114 CA ILE A 82 73.011 -1.132 0.327 1.00 0.00 C ATOM 1115 C ILE A 82 73.932 -1.598 1.459 1.00 0.00 C ATOM 1116 O ILE A 82 75.123 -1.759 1.274 1.00 0.00 O ATOM 1117 CB ILE A 82 72.361 -2.321 -0.382 1.00 0.00 C ATOM 1118 CG1 ILE A 82 71.564 -3.157 0.631 1.00 0.00 C ATOM 1119 CG2 ILE A 82 73.445 -3.178 -1.045 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.479 -4.167 1.332 1.00 0.00 C ATOM 0 H ILE A 82 74.583 -1.007 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 82 72.271 -0.475 0.785 1.00 0.00 H new ATOM 0 HB ILE A 82 71.678 -1.958 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 82 71.103 -2.501 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 82 70.756 -3.682 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 82 72.981 -4.025 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 82 73.990 -2.576 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.136 -3.543 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 82 71.898 -4.750 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 82 72.919 -4.834 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.272 -3.636 1.858 1.00 0.00 H new ATOM 1132 N SER A 83 73.397 -1.809 2.633 1.00 0.00 N ATOM 1133 CA SER A 83 74.254 -2.256 3.770 1.00 0.00 C ATOM 1134 C SER A 83 73.471 -3.173 4.717 1.00 0.00 C ATOM 1135 O SER A 83 72.762 -2.716 5.592 1.00 0.00 O ATOM 1136 CB SER A 83 74.650 -0.966 4.487 1.00 0.00 C ATOM 1137 OG SER A 83 76.055 -0.779 4.380 1.00 0.00 O ATOM 0 H SER A 83 72.408 -1.692 2.853 1.00 0.00 H new ATOM 0 HA SER A 83 75.118 -2.827 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 83 74.125 -0.117 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 83 74.357 -1.015 5.536 1.00 0.00 H new ATOM 0 HG SER A 83 76.311 0.049 4.838 1.00 0.00 H new ATOM 1143 N GLY A 84 73.603 -4.463 4.556 1.00 0.00 N ATOM 1144 CA GLY A 84 72.876 -5.407 5.454 1.00 0.00 C ATOM 1145 C GLY A 84 71.403 -5.467 5.055 1.00 0.00 C ATOM 1146 O GLY A 84 70.523 -5.238 5.860 1.00 0.00 O ATOM 0 H GLY A 84 74.183 -4.904 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 84 73.321 -6.400 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 84 72.969 -5.082 6.490 1.00 0.00 H new ATOM 1150 N CYS A 85 71.125 -5.769 3.818 1.00 0.00 N ATOM 1151 CA CYS A 85 69.705 -5.835 3.369 1.00 0.00 C ATOM 1152 C CYS A 85 69.441 -7.121 2.581 1.00 0.00 C ATOM 1153 O CYS A 85 70.340 -7.724 2.030 1.00 0.00 O ATOM 1154 CB CYS A 85 69.524 -4.620 2.461 1.00 0.00 C ATOM 1155 SG CYS A 85 68.021 -3.735 2.934 1.00 0.00 S ATOM 0 H CYS A 85 71.818 -5.973 3.098 1.00 0.00 H new ATOM 0 HA CYS A 85 69.014 -5.835 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 85 70.388 -3.960 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 85 69.460 -4.937 1.420 1.00 0.00 H new ATOM 1160 N THR A 86 68.204 -7.525 2.507 1.00 0.00 N ATOM 1161 CA THR A 86 67.857 -8.752 1.736 1.00 0.00 C ATOM 1162 C THR A 86 67.063 -8.344 0.494 1.00 0.00 C ATOM 1163 O THR A 86 66.531 -7.254 0.428 1.00 0.00 O ATOM 1164 CB THR A 86 66.997 -9.596 2.681 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.071 -9.061 3.995 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.509 -11.038 2.686 1.00 0.00 C ATOM 0 H THR A 86 67.414 -7.056 2.950 1.00 0.00 H new ATOM 0 HA THR A 86 68.733 -9.309 1.403 1.00 0.00 H new ATOM 0 HB THR A 86 65.961 -9.580 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 86 67.279 -9.779 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.897 -11.639 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.450 -11.448 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 86 68.545 -11.055 3.025 1.00 0.00 H new ATOM 1174 N PHE A 87 66.981 -9.186 -0.497 1.00 0.00 N ATOM 1175 CA PHE A 87 66.221 -8.794 -1.718 1.00 0.00 C ATOM 1176 C PHE A 87 65.531 -10.002 -2.354 1.00 0.00 C ATOM 1177 O PHE A 87 65.862 -11.141 -2.089 1.00 0.00 O ATOM 1178 CB PHE A 87 67.272 -8.209 -2.662 1.00 0.00 C ATOM 1179 CG PHE A 87 67.345 -6.713 -2.463 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.026 -6.183 -1.360 1.00 0.00 C ATOM 1181 CD2 PHE A 87 66.733 -5.855 -3.385 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.094 -4.796 -1.179 1.00 0.00 C ATOM 1183 CE2 PHE A 87 66.802 -4.468 -3.202 1.00 0.00 C ATOM 1184 CZ PHE A 87 67.482 -3.940 -2.101 1.00 0.00 C ATOM 0 H PHE A 87 67.400 -10.116 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 87 65.428 -8.082 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 87 68.244 -8.661 -2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.016 -8.438 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 87 68.499 -6.844 -0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 87 66.208 -6.262 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.619 -4.387 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 87 66.329 -3.806 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 87 67.535 -2.870 -1.962 1.00 0.00 H new ATOM 1194 N SER A 88 64.566 -9.747 -3.194 1.00 0.00 N ATOM 1195 CA SER A 88 63.823 -10.851 -3.865 1.00 0.00 C ATOM 1196 C SER A 88 62.594 -10.269 -4.569 1.00 0.00 C ATOM 1197 O SER A 88 61.714 -9.720 -3.936 1.00 0.00 O ATOM 1198 CB SER A 88 63.406 -11.798 -2.739 1.00 0.00 C ATOM 1199 OG SER A 88 62.180 -12.428 -3.082 1.00 0.00 O ATOM 0 H SER A 88 64.257 -8.809 -3.447 1.00 0.00 H new ATOM 0 HA SER A 88 64.419 -11.369 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 64.180 -12.548 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 88 63.295 -11.245 -1.806 1.00 0.00 H new ATOM 0 HG SER A 88 61.912 -13.036 -2.362 1.00 0.00 H new ATOM 1205 N ALA A 89 62.537 -10.365 -5.873 1.00 0.00 N ATOM 1206 CA ALA A 89 61.373 -9.799 -6.620 1.00 0.00 C ATOM 1207 C ALA A 89 60.073 -10.009 -5.841 1.00 0.00 C ATOM 1208 O ALA A 89 59.839 -11.056 -5.269 1.00 0.00 O ATOM 1209 CB ALA A 89 61.338 -10.557 -7.945 1.00 0.00 C ATOM 0 H ALA A 89 63.247 -10.811 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 89 61.472 -8.724 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 89 60.506 -10.195 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 89 62.273 -10.396 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 89 61.209 -11.622 -7.752 1.00 0.00 H new ATOM 1215 N ASN A 90 59.230 -9.014 -5.810 1.00 0.00 N ATOM 1216 CA ASN A 90 57.946 -9.137 -5.064 1.00 0.00 C ATOM 1217 C ASN A 90 56.769 -9.130 -6.048 1.00 0.00 C ATOM 1218 O ASN A 90 56.397 -8.055 -6.489 1.00 0.00 O ATOM 1219 CB ASN A 90 57.922 -7.905 -4.146 1.00 0.00 C ATOM 1220 CG ASN A 90 56.480 -7.458 -3.879 1.00 0.00 C ATOM 1221 OD1 ASN A 90 56.171 -6.285 -3.966 1.00 0.00 O ATOM 1222 ND2 ASN A 90 55.580 -8.346 -3.559 1.00 0.00 N ATOM 1223 OXT ASN A 90 56.259 -10.200 -6.338 1.00 0.00 O ATOM 0 H ASN A 90 59.376 -8.116 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 90 57.864 -10.064 -4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 90 58.417 -8.138 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 90 58.481 -7.091 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 90 54.618 -8.056 -3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 90 55.838 -9.330 -3.486 1.00 0.00 H new