USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 43 TYR OH : rot -13:sc= -1.83! USER MOD Set 1.2: A 75 CYS SG : rot 107:sc= -1.55 USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 40 ASN : amide:sc= -6.29! C(o=-6.3!,f=-4.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -157:sc= -0.678 (180deg=-2.22!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -146:sc= -1.3 (180deg=-3.4!) USER MOD Single : A 74 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.021) USER MOD Single : A 80 TYR OH : rot -25:sc= -7.63! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00525 USER MOD Single : A 88 GLN : amide:sc=-0.00541 K(o=-0.0054,f=-1.5!) USER MOD Single : A 94 ASN : amide:sc= -0.704 K(o=-0.7,f=-6.2!) USER MOD Single : A 96 THR OG1 : rot -102:sc= 1.2 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 100 SER OG : rot -67:sc= 0.713 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.594 22.739 14.441 1.00 0.00 N ATOM 79 CA ASN A 40 20.908 22.152 13.254 1.00 0.00 C ATOM 80 C ASN A 40 21.943 21.505 12.332 1.00 0.00 C ATOM 81 O ASN A 40 22.775 22.174 11.749 1.00 0.00 O ATOM 82 CB ASN A 40 20.163 23.249 12.489 1.00 0.00 C ATOM 83 CG ASN A 40 19.110 22.608 11.582 1.00 0.00 C ATOM 84 OD1 ASN A 40 18.897 21.412 11.632 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.439 23.355 10.749 1.00 0.00 N ATOM 0 HA ASN A 40 20.195 21.399 13.590 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.687 23.937 13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.864 23.834 11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.736 22.936 10.140 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.617 24.358 10.707 1.00 0.00 H new ATOM 92 N THR A 41 21.898 20.209 12.192 1.00 0.00 N ATOM 93 CA THR A 41 22.876 19.519 11.306 1.00 0.00 C ATOM 94 C THR A 41 22.415 19.639 9.852 1.00 0.00 C ATOM 95 O THR A 41 21.251 19.473 9.546 1.00 0.00 O ATOM 96 CB THR A 41 22.962 18.041 11.694 1.00 0.00 C ATOM 97 OG1 THR A 41 23.257 17.933 13.079 1.00 0.00 O ATOM 98 CG2 THR A 41 24.065 17.361 10.881 1.00 0.00 C ATOM 0 H THR A 41 21.225 19.597 12.654 1.00 0.00 H new ATOM 0 HA THR A 41 23.857 19.980 11.417 1.00 0.00 H new ATOM 0 HB THR A 41 22.009 17.555 11.486 1.00 0.00 H new ATOM 0 HG1 THR A 41 23.311 16.987 13.329 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.125 16.309 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 41 23.837 17.444 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.020 17.845 11.086 1.00 0.00 H new ATOM 106 N LEU A 42 23.316 19.925 8.953 1.00 0.00 N ATOM 107 CA LEU A 42 22.921 20.055 7.521 1.00 0.00 C ATOM 108 C LEU A 42 23.688 19.032 6.682 1.00 0.00 C ATOM 109 O LEU A 42 24.736 18.556 7.068 1.00 0.00 O ATOM 110 CB LEU A 42 23.250 21.465 7.028 1.00 0.00 C ATOM 111 CG LEU A 42 22.936 22.478 8.130 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.179 23.894 7.604 1.00 0.00 C ATOM 113 CD2 LEU A 42 21.473 22.336 8.553 1.00 0.00 C ATOM 0 H LEU A 42 24.306 20.074 9.147 1.00 0.00 H new ATOM 0 HA LEU A 42 21.851 19.874 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.302 21.528 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.670 21.693 6.134 1.00 0.00 H new ATOM 0 HG LEU A 42 23.582 22.292 8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.956 24.617 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 42 24.221 23.996 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.533 24.079 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.250 23.058 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.827 22.521 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.299 21.327 8.927 1.00 0.00 H new ATOM 125 N TYR A 43 23.171 18.692 5.533 1.00 0.00 N ATOM 126 CA TYR A 43 23.867 17.703 4.662 1.00 0.00 C ATOM 127 C TYR A 43 24.269 18.380 3.351 1.00 0.00 C ATOM 128 O TYR A 43 23.442 18.900 2.631 1.00 0.00 O ATOM 129 CB TYR A 43 22.926 16.533 4.365 1.00 0.00 C ATOM 130 CG TYR A 43 23.628 15.535 3.477 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.422 14.530 4.045 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.485 15.612 2.087 1.00 0.00 C ATOM 133 CE1 TYR A 43 25.072 13.603 3.221 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.136 14.685 1.264 1.00 0.00 C ATOM 135 CZ TYR A 43 24.929 13.681 1.831 1.00 0.00 C ATOM 136 OH TYR A 43 25.570 12.767 1.019 1.00 0.00 O ATOM 0 H TYR A 43 22.295 19.057 5.159 1.00 0.00 H new ATOM 0 HA TYR A 43 24.757 17.331 5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.618 16.055 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 43 22.021 16.895 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.533 14.470 5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.873 16.386 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.684 12.828 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 43 24.026 14.745 0.191 1.00 0.00 H new ATOM 0 HH TYR A 43 26.236 12.274 1.543 1.00 0.00 H new ATOM 146 N VAL A 44 25.536 18.382 3.036 1.00 0.00 N ATOM 147 CA VAL A 44 25.987 19.028 1.773 1.00 0.00 C ATOM 148 C VAL A 44 26.590 17.972 0.844 1.00 0.00 C ATOM 149 O VAL A 44 27.377 17.145 1.257 1.00 0.00 O ATOM 150 CB VAL A 44 27.041 20.090 2.092 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.503 20.755 0.795 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.437 21.146 3.019 1.00 0.00 C ATOM 0 H VAL A 44 26.277 17.964 3.599 1.00 0.00 H new ATOM 0 HA VAL A 44 25.135 19.498 1.282 1.00 0.00 H new ATOM 0 HB VAL A 44 27.893 19.620 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.254 21.512 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.934 20.003 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.651 21.225 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.188 21.903 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.585 21.616 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.107 20.673 3.944 1.00 0.00 H new ATOM 162 N TYR A 45 26.225 17.994 -0.409 1.00 0.00 N ATOM 163 CA TYR A 45 26.775 16.993 -1.365 1.00 0.00 C ATOM 164 C TYR A 45 27.491 17.717 -2.506 1.00 0.00 C ATOM 165 O TYR A 45 27.056 18.757 -2.963 1.00 0.00 O ATOM 166 CB TYR A 45 25.631 16.150 -1.932 1.00 0.00 C ATOM 167 CG TYR A 45 26.184 15.134 -2.902 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.332 15.464 -4.253 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.548 13.860 -2.447 1.00 0.00 C ATOM 170 CE1 TYR A 45 26.844 14.521 -5.152 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.061 12.917 -3.347 1.00 0.00 C ATOM 172 CZ TYR A 45 27.210 13.247 -4.699 1.00 0.00 C ATOM 173 OH TYR A 45 27.715 12.318 -5.585 1.00 0.00 O ATOM 0 H TYR A 45 25.569 18.663 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 45 27.482 16.345 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.102 15.646 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 45 24.907 16.792 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.051 16.446 -4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.433 13.605 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 45 26.957 14.776 -6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.342 11.935 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 45 27.919 11.487 -5.107 1.00 0.00 H new ATOM 183 N GLY A 46 28.583 17.178 -2.972 1.00 0.00 N ATOM 184 CA GLY A 46 29.323 17.839 -4.085 1.00 0.00 C ATOM 185 C GLY A 46 30.634 17.093 -4.340 1.00 0.00 C ATOM 186 O GLY A 46 30.935 16.107 -3.697 1.00 0.00 O ATOM 0 H GLY A 46 28.995 16.309 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.713 17.844 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.527 18.879 -3.833 1.00 0.00 H new ATOM 190 N GLU A 47 31.418 17.557 -5.276 1.00 0.00 N ATOM 191 CA GLU A 47 32.709 16.875 -5.574 1.00 0.00 C ATOM 192 C GLU A 47 33.870 17.777 -5.153 1.00 0.00 C ATOM 193 O GLU A 47 33.741 18.984 -5.091 1.00 0.00 O ATOM 194 CB GLU A 47 32.802 16.590 -7.074 1.00 0.00 C ATOM 195 CG GLU A 47 31.616 15.724 -7.502 1.00 0.00 C ATOM 196 CD GLU A 47 31.740 15.392 -8.991 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.579 15.990 -9.643 1.00 0.00 O ATOM 198 OE2 GLU A 47 30.993 14.545 -9.452 1.00 0.00 O ATOM 0 H GLU A 47 31.220 18.379 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 47 32.760 15.936 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.804 17.525 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 47 33.739 16.081 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.591 14.806 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.680 16.250 -7.312 1.00 0.00 H new ATOM 205 N ASP A 48 35.005 17.203 -4.865 1.00 0.00 N ATOM 206 CA ASP A 48 36.174 18.028 -4.448 1.00 0.00 C ATOM 207 C ASP A 48 35.718 19.089 -3.445 1.00 0.00 C ATOM 208 O ASP A 48 35.989 20.263 -3.604 1.00 0.00 O ATOM 209 CB ASP A 48 36.778 18.712 -5.676 1.00 0.00 C ATOM 210 CG ASP A 48 37.138 17.655 -6.724 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.255 16.498 -6.353 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.290 18.021 -7.877 1.00 0.00 O ATOM 0 H ASP A 48 35.174 16.198 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 48 36.924 17.388 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.068 19.426 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.667 19.275 -5.391 1.00 0.00 H new ATOM 217 N MET A 49 35.027 18.688 -2.414 1.00 0.00 N ATOM 218 CA MET A 49 34.556 19.676 -1.403 1.00 0.00 C ATOM 219 C MET A 49 35.504 19.669 -0.202 1.00 0.00 C ATOM 220 O MET A 49 35.998 18.637 0.206 1.00 0.00 O ATOM 221 CB MET A 49 33.147 19.300 -0.942 1.00 0.00 C ATOM 222 CG MET A 49 32.161 19.514 -2.091 1.00 0.00 C ATOM 223 SD MET A 49 30.469 19.348 -1.472 1.00 0.00 S ATOM 224 CE MET A 49 30.689 17.757 -0.638 1.00 0.00 C ATOM 0 H MET A 49 34.768 17.719 -2.228 1.00 0.00 H new ATOM 0 HA MET A 49 34.540 20.671 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.124 18.259 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.859 19.907 -0.084 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.304 20.502 -2.528 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.344 18.786 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.723 17.263 -0.536 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.358 17.128 -1.225 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.119 17.921 0.350 1.00 0.00 H new ATOM 234 N THR A 50 35.762 20.814 0.368 1.00 0.00 N ATOM 235 CA THR A 50 36.677 20.873 1.543 1.00 0.00 C ATOM 236 C THR A 50 35.967 21.563 2.709 1.00 0.00 C ATOM 237 O THR A 50 34.934 22.179 2.541 1.00 0.00 O ATOM 238 CB THR A 50 37.936 21.663 1.172 1.00 0.00 C ATOM 239 OG1 THR A 50 37.634 22.560 0.113 1.00 0.00 O ATOM 240 CG2 THR A 50 39.035 20.695 0.727 1.00 0.00 C ATOM 0 H THR A 50 35.379 21.711 0.071 1.00 0.00 H new ATOM 0 HA THR A 50 36.957 19.861 1.836 1.00 0.00 H new ATOM 0 HB THR A 50 38.281 22.227 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.438 23.068 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.930 21.258 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.265 20.007 1.541 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.693 20.130 -0.140 1.00 0.00 H new ATOM 248 N PRO A 51 36.540 21.454 3.917 1.00 0.00 N ATOM 249 CA PRO A 51 35.969 22.064 5.124 1.00 0.00 C ATOM 250 C PRO A 51 36.079 23.591 5.095 1.00 0.00 C ATOM 251 O PRO A 51 35.124 24.297 5.354 1.00 0.00 O ATOM 252 CB PRO A 51 36.830 21.500 6.253 1.00 0.00 C ATOM 253 CG PRO A 51 38.127 21.155 5.600 1.00 0.00 C ATOM 254 CD PRO A 51 37.790 20.727 4.199 1.00 0.00 C ATOM 0 HA PRO A 51 34.907 21.844 5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.969 22.232 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.367 20.622 6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.800 22.012 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.634 20.355 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.579 20.994 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.653 19.648 4.130 1.00 0.00 H new ATOM 262 N THR A 52 37.237 24.106 4.783 1.00 0.00 N ATOM 263 CA THR A 52 37.405 25.585 4.738 1.00 0.00 C ATOM 264 C THR A 52 36.403 26.182 3.747 1.00 0.00 C ATOM 265 O THR A 52 35.744 27.162 4.031 1.00 0.00 O ATOM 266 CB THR A 52 38.830 25.922 4.289 1.00 0.00 C ATOM 267 OG1 THR A 52 39.760 25.249 5.125 1.00 0.00 O ATOM 268 CG2 THR A 52 39.054 27.432 4.384 1.00 0.00 C ATOM 0 H THR A 52 38.073 23.567 4.558 1.00 0.00 H new ATOM 0 HA THR A 52 37.228 26.002 5.729 1.00 0.00 H new ATOM 0 HB THR A 52 38.971 25.601 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.672 25.462 4.838 1.00 0.00 H new ATOM 0 HG21 THR A 52 40.068 27.670 4.064 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.340 27.947 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.913 27.757 5.415 1.00 0.00 H new ATOM 276 N LEU A 53 36.281 25.595 2.588 1.00 0.00 N ATOM 277 CA LEU A 53 35.319 26.128 1.583 1.00 0.00 C ATOM 278 C LEU A 53 33.906 26.104 2.168 1.00 0.00 C ATOM 279 O LEU A 53 33.194 27.088 2.137 1.00 0.00 O ATOM 280 CB LEU A 53 35.364 25.260 0.322 1.00 0.00 C ATOM 281 CG LEU A 53 34.346 25.784 -0.693 1.00 0.00 C ATOM 282 CD1 LEU A 53 34.921 27.010 -1.405 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.042 24.692 -1.721 1.00 0.00 C ATOM 0 H LEU A 53 36.805 24.771 2.294 1.00 0.00 H new ATOM 0 HA LEU A 53 35.590 27.153 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.365 25.277 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 53 35.143 24.223 0.573 1.00 0.00 H new ATOM 0 HG LEU A 53 33.427 26.062 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.196 27.384 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.137 27.788 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 35.840 26.733 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.317 25.065 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 53 34.960 24.414 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.632 23.819 -1.214 1.00 0.00 H new ATOM 295 N LEU A 54 33.496 24.987 2.706 1.00 0.00 N ATOM 296 CA LEU A 54 32.130 24.904 3.294 1.00 0.00 C ATOM 297 C LEU A 54 31.975 25.984 4.366 1.00 0.00 C ATOM 298 O LEU A 54 31.021 26.736 4.370 1.00 0.00 O ATOM 299 CB LEU A 54 31.930 23.525 3.926 1.00 0.00 C ATOM 300 CG LEU A 54 31.843 22.467 2.823 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.609 21.216 3.256 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.377 22.108 2.574 1.00 0.00 C ATOM 0 H LEU A 54 34.047 24.131 2.763 1.00 0.00 H new ATOM 0 HA LEU A 54 31.385 25.056 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.757 23.298 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 54 31.020 23.516 4.526 1.00 0.00 H new ATOM 0 HG LEU A 54 32.280 22.861 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.548 20.462 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.654 21.472 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 54 32.172 20.821 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.315 21.355 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.938 21.714 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.831 23.000 2.265 1.00 0.00 H new ATOM 314 N ARG A 55 32.907 26.070 5.276 1.00 0.00 N ATOM 315 CA ARG A 55 32.811 27.104 6.344 1.00 0.00 C ATOM 316 C ARG A 55 32.439 28.447 5.714 1.00 0.00 C ATOM 317 O ARG A 55 31.636 29.190 6.242 1.00 0.00 O ATOM 318 CB ARG A 55 34.160 27.231 7.056 1.00 0.00 C ATOM 319 CG ARG A 55 34.412 25.979 7.898 1.00 0.00 C ATOM 320 CD ARG A 55 35.724 26.140 8.670 1.00 0.00 C ATOM 321 NE ARG A 55 35.537 27.132 9.765 1.00 0.00 N ATOM 322 CZ ARG A 55 36.282 27.071 10.836 1.00 0.00 C ATOM 323 NH1 ARG A 55 35.921 26.315 11.838 1.00 0.00 N ATOM 324 NH2 ARG A 55 37.384 27.763 10.905 1.00 0.00 N ATOM 0 H ARG A 55 33.730 25.469 5.326 1.00 0.00 H new ATOM 0 HA ARG A 55 32.047 26.814 7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.959 27.357 6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 55 34.166 28.117 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.586 25.822 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.461 25.099 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 55 36.035 25.181 9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 55 36.516 26.470 7.998 1.00 0.00 H new ATOM 0 HE ARG A 55 34.827 27.859 9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 55 35.058 25.773 11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 55 36.502 26.266 12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 55 37.666 28.353 10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 55 37.965 27.715 11.742 1.00 0.00 H new ATOM 338 N GLY A 56 33.015 28.764 4.586 1.00 0.00 N ATOM 339 CA GLY A 56 32.692 30.057 3.921 1.00 0.00 C ATOM 340 C GLY A 56 31.256 30.012 3.395 1.00 0.00 C ATOM 341 O GLY A 56 30.535 30.990 3.442 1.00 0.00 O ATOM 0 H GLY A 56 33.695 28.183 4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.807 30.880 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.386 30.240 3.101 1.00 0.00 H new ATOM 345 N ALA A 57 30.834 28.883 2.893 1.00 0.00 N ATOM 346 CA ALA A 57 29.445 28.774 2.365 1.00 0.00 C ATOM 347 C ALA A 57 28.457 28.762 3.533 1.00 0.00 C ATOM 348 O ALA A 57 27.290 29.058 3.376 1.00 0.00 O ATOM 349 CB ALA A 57 29.304 27.478 1.563 1.00 0.00 C ATOM 0 H ALA A 57 31.392 28.032 2.826 1.00 0.00 H new ATOM 0 HA ALA A 57 29.233 29.625 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.288 27.398 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.009 27.486 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.515 26.626 2.209 1.00 0.00 H new ATOM 355 N PHE A 58 28.919 28.423 4.706 1.00 0.00 N ATOM 356 CA PHE A 58 28.011 28.393 5.888 1.00 0.00 C ATOM 357 C PHE A 58 28.491 29.412 6.925 1.00 0.00 C ATOM 358 O PHE A 58 27.998 29.463 8.035 1.00 0.00 O ATOM 359 CB PHE A 58 28.029 26.991 6.503 1.00 0.00 C ATOM 360 CG PHE A 58 27.388 26.011 5.549 1.00 0.00 C ATOM 361 CD1 PHE A 58 28.156 25.409 4.544 1.00 0.00 C ATOM 362 CD2 PHE A 58 26.028 25.703 5.669 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.562 24.500 3.660 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.435 24.794 4.785 1.00 0.00 C ATOM 365 CZ PHE A 58 26.202 24.192 3.780 1.00 0.00 C ATOM 0 H PHE A 58 29.887 28.165 4.897 1.00 0.00 H new ATOM 0 HA PHE A 58 26.997 28.643 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 58 29.055 26.689 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.494 26.993 7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 29.206 25.646 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.436 26.167 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 58 28.154 24.036 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 58 24.385 24.557 4.878 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.745 23.491 3.098 1.00 0.00 H new ATOM 375 N SER A 59 29.455 30.219 6.573 1.00 0.00 N ATOM 376 CA SER A 59 29.976 31.232 7.536 1.00 0.00 C ATOM 377 C SER A 59 28.987 32.395 7.675 1.00 0.00 C ATOM 378 O SER A 59 28.578 32.739 8.766 1.00 0.00 O ATOM 379 CB SER A 59 31.318 31.766 7.033 1.00 0.00 C ATOM 380 OG SER A 59 31.475 33.115 7.446 1.00 0.00 O ATOM 0 H SER A 59 29.905 30.221 5.658 1.00 0.00 H new ATOM 0 HA SER A 59 30.105 30.760 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 59 32.133 31.157 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 59 31.364 31.700 5.946 1.00 0.00 H new ATOM 0 HG SER A 59 32.335 33.457 7.125 1.00 0.00 H new ATOM 386 N PRO A 60 28.606 33.022 6.549 1.00 0.00 N ATOM 387 CA PRO A 60 27.675 34.161 6.556 1.00 0.00 C ATOM 388 C PRO A 60 26.253 33.747 6.947 1.00 0.00 C ATOM 389 O PRO A 60 25.512 34.517 7.525 1.00 0.00 O ATOM 390 CB PRO A 60 27.700 34.653 5.109 1.00 0.00 C ATOM 391 CG PRO A 60 28.107 33.461 4.313 1.00 0.00 C ATOM 392 CD PRO A 60 29.046 32.676 5.184 1.00 0.00 C ATOM 0 HA PRO A 60 27.967 34.917 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.722 35.022 4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 60 28.405 35.474 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 60 27.239 32.862 4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.595 33.760 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.970 31.605 4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 60 30.085 32.957 5.012 1.00 0.00 H new ATOM 400 N PHE A 61 25.864 32.541 6.638 1.00 0.00 N ATOM 401 CA PHE A 61 24.489 32.092 6.997 1.00 0.00 C ATOM 402 C PHE A 61 24.362 32.005 8.520 1.00 0.00 C ATOM 403 O PHE A 61 23.302 32.215 9.075 1.00 0.00 O ATOM 404 CB PHE A 61 24.223 30.718 6.383 1.00 0.00 C ATOM 405 CG PHE A 61 23.963 30.872 4.904 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.687 31.226 4.449 1.00 0.00 C ATOM 407 CD2 PHE A 61 25.000 30.663 3.988 1.00 0.00 C ATOM 408 CE1 PHE A 61 22.448 31.369 3.077 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.761 30.806 2.615 1.00 0.00 C ATOM 410 CZ PHE A 61 23.486 31.159 2.161 1.00 0.00 C ATOM 0 H PHE A 61 26.436 31.849 6.154 1.00 0.00 H new ATOM 0 HA PHE A 61 23.762 32.807 6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.078 30.062 6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.366 30.251 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.887 31.389 5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.984 30.391 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.464 31.641 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.561 30.644 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.302 31.270 1.103 1.00 0.00 H new ATOM 420 N GLY A 62 25.432 31.698 9.199 1.00 0.00 N ATOM 421 CA GLY A 62 25.366 31.601 10.685 1.00 0.00 C ATOM 422 C GLY A 62 26.649 30.960 11.214 1.00 0.00 C ATOM 423 O GLY A 62 27.532 30.598 10.462 1.00 0.00 O ATOM 0 H GLY A 62 26.348 31.510 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.237 32.593 11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.501 31.008 10.983 1.00 0.00 H new ATOM 427 N ASN A 63 26.757 30.818 12.506 1.00 0.00 N ATOM 428 CA ASN A 63 27.982 30.201 13.089 1.00 0.00 C ATOM 429 C ASN A 63 27.810 28.683 13.148 1.00 0.00 C ATOM 430 O ASN A 63 26.781 28.180 13.550 1.00 0.00 O ATOM 431 CB ASN A 63 28.199 30.741 14.503 1.00 0.00 C ATOM 432 CG ASN A 63 29.602 30.365 14.983 1.00 0.00 C ATOM 433 OD1 ASN A 63 30.587 30.792 14.414 1.00 0.00 O ATOM 434 ND2 ASN A 63 29.737 29.575 16.013 1.00 0.00 N ATOM 0 H ASN A 63 26.050 31.103 13.184 1.00 0.00 H new ATOM 0 HA ASN A 63 28.843 30.446 12.467 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.078 31.824 14.513 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.449 30.330 15.180 1.00 0.00 H new ATOM 0 HD21 ASN A 63 30.668 29.317 16.339 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.911 29.216 16.492 1.00 0.00 H new ATOM 441 N ILE A 64 28.811 27.948 12.748 1.00 0.00 N ATOM 442 CA ILE A 64 28.705 26.463 12.782 1.00 0.00 C ATOM 443 C ILE A 64 29.292 25.940 14.093 1.00 0.00 C ATOM 444 O ILE A 64 30.361 26.342 14.510 1.00 0.00 O ATOM 445 CB ILE A 64 29.478 25.870 11.605 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.938 26.450 10.295 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.309 24.350 11.600 1.00 0.00 C ATOM 448 CD1 ILE A 64 30.004 26.327 9.205 1.00 0.00 C ATOM 0 H ILE A 64 29.698 28.312 12.399 1.00 0.00 H new ATOM 0 HA ILE A 64 27.657 26.172 12.712 1.00 0.00 H new ATOM 0 HB ILE A 64 30.535 26.118 11.702 1.00 0.00 H new ATOM 0 HG12 ILE A 64 28.034 25.920 9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.663 27.496 10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.860 23.925 10.761 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.694 23.938 12.533 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.252 24.102 11.503 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.620 26.740 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.896 26.877 9.505 1.00 0.00 H new ATOM 0 HD13 ILE A 64 30.257 25.277 9.060 1.00 0.00 H new ATOM 460 N ILE A 65 28.606 25.043 14.747 1.00 0.00 N ATOM 461 CA ILE A 65 29.128 24.495 16.029 1.00 0.00 C ATOM 462 C ILE A 65 29.834 23.163 15.762 1.00 0.00 C ATOM 463 O ILE A 65 30.648 22.712 16.543 1.00 0.00 O ATOM 464 CB ILE A 65 27.969 24.277 17.005 1.00 0.00 C ATOM 465 CG1 ILE A 65 27.070 23.151 16.494 1.00 0.00 C ATOM 466 CG2 ILE A 65 27.153 25.567 17.121 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.934 22.914 17.493 1.00 0.00 C ATOM 0 H ILE A 65 27.706 24.666 14.448 1.00 0.00 H new ATOM 0 HA ILE A 65 29.836 25.200 16.465 1.00 0.00 H new ATOM 0 HB ILE A 65 28.366 24.006 17.983 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.662 23.411 15.517 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.651 22.238 16.364 1.00 0.00 H new ATOM 0 HG21 ILE A 65 26.327 25.414 17.816 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.792 26.370 17.488 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.758 25.837 16.142 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.292 22.111 17.130 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.352 22.635 18.460 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.348 23.827 17.601 1.00 0.00 H new ATOM 479 N ASP A 66 29.531 22.531 14.659 1.00 0.00 N ATOM 480 CA ASP A 66 30.187 21.231 14.341 1.00 0.00 C ATOM 481 C ASP A 66 30.539 21.189 12.852 1.00 0.00 C ATOM 482 O ASP A 66 29.697 21.389 11.999 1.00 0.00 O ATOM 483 CB ASP A 66 29.231 20.083 14.671 1.00 0.00 C ATOM 484 CG ASP A 66 29.964 18.749 14.515 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.153 18.777 14.241 1.00 0.00 O ATOM 486 OD2 ASP A 66 29.324 17.722 14.672 1.00 0.00 O ATOM 0 H ASP A 66 28.858 22.859 13.966 1.00 0.00 H new ATOM 0 HA ASP A 66 31.096 21.128 14.933 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.857 20.188 15.690 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.366 20.114 14.009 1.00 0.00 H new ATOM 491 N LEU A 67 31.777 20.927 12.532 1.00 0.00 N ATOM 492 CA LEU A 67 32.181 20.870 11.099 1.00 0.00 C ATOM 493 C LEU A 67 32.760 19.488 10.790 1.00 0.00 C ATOM 494 O LEU A 67 33.848 19.151 11.212 1.00 0.00 O ATOM 495 CB LEU A 67 33.239 21.942 10.823 1.00 0.00 C ATOM 496 CG LEU A 67 33.538 22.003 9.321 1.00 0.00 C ATOM 497 CD1 LEU A 67 34.390 20.797 8.919 1.00 0.00 C ATOM 498 CD2 LEU A 67 32.226 21.986 8.532 1.00 0.00 C ATOM 0 H LEU A 67 32.526 20.750 13.201 1.00 0.00 H new ATOM 0 HA LEU A 67 31.311 21.050 10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.886 22.912 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 67 34.151 21.716 11.376 1.00 0.00 H new ATOM 0 HG LEU A 67 34.081 22.922 9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 67 34.602 20.841 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 67 35.327 20.812 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 67 33.849 19.878 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 67 32.443 22.030 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 67 31.680 21.069 8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 67 31.620 22.847 8.815 1.00 0.00 H new ATOM 510 N SER A 68 32.040 18.684 10.056 1.00 0.00 N ATOM 511 CA SER A 68 32.550 17.325 9.722 1.00 0.00 C ATOM 512 C SER A 68 32.601 17.159 8.202 1.00 0.00 C ATOM 513 O SER A 68 31.814 17.732 7.477 1.00 0.00 O ATOM 514 CB SER A 68 31.619 16.269 10.320 1.00 0.00 C ATOM 515 OG SER A 68 31.742 16.278 11.735 1.00 0.00 O ATOM 0 H SER A 68 31.122 18.910 9.674 1.00 0.00 H new ATOM 0 HA SER A 68 33.551 17.201 10.135 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.588 16.473 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.870 15.283 9.928 1.00 0.00 H new ATOM 0 HG SER A 68 31.145 15.603 12.120 1.00 0.00 H new ATOM 521 N MET A 69 33.525 16.377 7.714 1.00 0.00 N ATOM 522 CA MET A 69 33.629 16.173 6.242 1.00 0.00 C ATOM 523 C MET A 69 33.529 14.678 5.928 1.00 0.00 C ATOM 524 O MET A 69 33.956 13.842 6.700 1.00 0.00 O ATOM 525 CB MET A 69 34.975 16.708 5.746 1.00 0.00 C ATOM 526 CG MET A 69 35.049 18.215 5.998 1.00 0.00 C ATOM 527 SD MET A 69 33.815 19.058 4.978 1.00 0.00 S ATOM 528 CE MET A 69 34.370 18.420 3.378 1.00 0.00 C ATOM 0 H MET A 69 34.213 15.870 8.272 1.00 0.00 H new ATOM 0 HA MET A 69 32.820 16.706 5.743 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.792 16.202 6.261 1.00 0.00 H new ATOM 0 HB3 MET A 69 35.091 16.500 4.682 1.00 0.00 H new ATOM 0 HG2 MET A 69 34.872 18.427 7.052 1.00 0.00 H new ATOM 0 HG3 MET A 69 36.046 18.586 5.762 1.00 0.00 H new ATOM 0 HE1 MET A 69 34.217 19.179 2.611 1.00 0.00 H new ATOM 0 HE2 MET A 69 35.429 18.169 3.434 1.00 0.00 H new ATOM 0 HE3 MET A 69 33.799 17.527 3.124 1.00 0.00 H new ATOM 538 N ASP A 70 32.970 14.335 4.800 1.00 0.00 N ATOM 539 CA ASP A 70 32.845 12.895 4.439 1.00 0.00 C ATOM 540 C ASP A 70 33.335 12.684 3.005 1.00 0.00 C ATOM 541 O ASP A 70 32.592 12.843 2.057 1.00 0.00 O ATOM 542 CB ASP A 70 31.380 12.468 4.543 1.00 0.00 C ATOM 543 CG ASP A 70 31.302 11.027 5.051 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.431 10.833 6.248 1.00 0.00 O ATOM 545 OD2 ASP A 70 31.115 10.142 4.232 1.00 0.00 O ATOM 0 H ASP A 70 32.595 14.989 4.113 1.00 0.00 H new ATOM 0 HA ASP A 70 33.448 12.297 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.844 13.133 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.897 12.548 3.569 1.00 0.00 H new ATOM 550 N PRO A 71 34.616 12.317 2.849 1.00 0.00 N ATOM 551 CA PRO A 71 35.212 12.083 1.534 1.00 0.00 C ATOM 552 C PRO A 71 34.774 10.754 0.883 1.00 0.00 C ATOM 553 O PRO A 71 34.756 10.647 -0.326 1.00 0.00 O ATOM 554 CB PRO A 71 36.713 12.068 1.814 1.00 0.00 C ATOM 555 CG PRO A 71 36.846 11.682 3.250 1.00 0.00 C ATOM 556 CD PRO A 71 35.579 12.109 3.948 1.00 0.00 C ATOM 0 HA PRO A 71 34.898 12.848 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.226 11.356 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.157 13.046 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.994 10.606 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.714 12.165 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.231 11.346 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.729 13.022 4.524 1.00 0.00 H new ATOM 564 N PRO A 72 34.416 9.716 1.674 1.00 0.00 N ATOM 565 CA PRO A 72 33.995 8.430 1.107 1.00 0.00 C ATOM 566 C PRO A 72 32.576 8.496 0.535 1.00 0.00 C ATOM 567 O PRO A 72 32.197 7.703 -0.305 1.00 0.00 O ATOM 568 CB PRO A 72 34.028 7.477 2.298 1.00 0.00 C ATOM 569 CG PRO A 72 33.836 8.346 3.494 1.00 0.00 C ATOM 570 CD PRO A 72 34.391 9.702 3.151 1.00 0.00 C ATOM 0 HA PRO A 72 34.638 8.123 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.241 6.727 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 72 34.976 6.941 2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.780 8.417 3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.349 7.928 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.765 10.501 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.388 9.842 3.568 1.00 0.00 H new ATOM 578 N ARG A 73 31.787 9.434 0.983 1.00 0.00 N ATOM 579 CA ARG A 73 30.395 9.548 0.464 1.00 0.00 C ATOM 580 C ARG A 73 30.254 10.834 -0.352 1.00 0.00 C ATOM 581 O ARG A 73 29.201 11.132 -0.881 1.00 0.00 O ATOM 582 CB ARG A 73 29.415 9.580 1.638 1.00 0.00 C ATOM 583 CG ARG A 73 29.515 8.273 2.426 1.00 0.00 C ATOM 584 CD ARG A 73 28.459 8.261 3.532 1.00 0.00 C ATOM 585 NE ARG A 73 28.694 7.096 4.431 1.00 0.00 N ATOM 586 CZ ARG A 73 28.715 7.262 5.725 1.00 0.00 C ATOM 587 NH1 ARG A 73 27.951 8.164 6.279 1.00 0.00 N ATOM 588 NH2 ARG A 73 29.499 6.527 6.464 1.00 0.00 N ATOM 0 H ARG A 73 32.046 10.126 1.686 1.00 0.00 H new ATOM 0 HA ARG A 73 30.175 8.691 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.638 10.426 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.398 9.719 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.369 7.423 1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.511 8.172 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.504 9.189 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.462 8.202 3.096 1.00 0.00 H new ATOM 0 HE ARG A 73 28.839 6.168 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 73 27.338 8.738 5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 73 27.967 8.294 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 73 30.096 5.822 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 73 29.515 6.657 7.476 1.00 0.00 H new ATOM 602 N ASN A 74 31.304 11.601 -0.462 1.00 0.00 N ATOM 603 CA ASN A 74 31.223 12.866 -1.245 1.00 0.00 C ATOM 604 C ASN A 74 30.175 13.786 -0.617 1.00 0.00 C ATOM 605 O ASN A 74 29.355 14.366 -1.301 1.00 0.00 O ATOM 606 CB ASN A 74 30.824 12.547 -2.687 1.00 0.00 C ATOM 607 CG ASN A 74 31.842 11.587 -3.303 1.00 0.00 C ATOM 608 OD1 ASN A 74 31.568 10.951 -4.301 1.00 0.00 O ATOM 609 ND2 ASN A 74 33.016 11.451 -2.750 1.00 0.00 N ATOM 0 H ASN A 74 32.214 11.406 -0.044 1.00 0.00 H new ATOM 0 HA ASN A 74 32.193 13.362 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 74 29.830 12.101 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 74 30.775 13.465 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 74 33.700 10.812 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 74 33.250 11.983 -1.912 1.00 0.00 H new ATOM 616 N CYS A 75 30.195 13.924 0.680 1.00 0.00 N ATOM 617 CA CYS A 75 29.198 14.807 1.348 1.00 0.00 C ATOM 618 C CYS A 75 29.786 15.342 2.655 1.00 0.00 C ATOM 619 O CYS A 75 30.498 14.651 3.356 1.00 0.00 O ATOM 620 CB CYS A 75 27.929 14.007 1.647 1.00 0.00 C ATOM 621 SG CYS A 75 28.282 12.768 2.920 1.00 0.00 S ATOM 0 H CYS A 75 30.857 13.465 1.305 1.00 0.00 H new ATOM 0 HA CYS A 75 28.954 15.642 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.136 14.675 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.571 13.520 0.740 1.00 0.00 H new ATOM 0 HG CYS A 75 27.745 13.137 4.045 1.00 0.00 H new ATOM 627 N ALA A 76 29.492 16.569 2.988 1.00 0.00 N ATOM 628 CA ALA A 76 30.032 17.149 4.249 1.00 0.00 C ATOM 629 C ALA A 76 28.887 17.377 5.237 1.00 0.00 C ATOM 630 O ALA A 76 27.740 17.503 4.855 1.00 0.00 O ATOM 631 CB ALA A 76 30.716 18.483 3.947 1.00 0.00 C ATOM 0 H ALA A 76 28.901 17.195 2.441 1.00 0.00 H new ATOM 0 HA ALA A 76 30.756 16.460 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 76 31.111 18.907 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.533 18.322 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.993 19.172 3.512 1.00 0.00 H new ATOM 637 N PHE A 77 29.188 17.434 6.505 1.00 0.00 N ATOM 638 CA PHE A 77 28.118 17.657 7.516 1.00 0.00 C ATOM 639 C PHE A 77 28.390 18.962 8.265 1.00 0.00 C ATOM 640 O PHE A 77 29.454 19.163 8.815 1.00 0.00 O ATOM 641 CB PHE A 77 28.101 16.491 8.507 1.00 0.00 C ATOM 642 CG PHE A 77 27.693 15.227 7.789 1.00 0.00 C ATOM 643 CD1 PHE A 77 26.337 14.959 7.563 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.667 14.324 7.350 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.957 13.788 6.897 1.00 0.00 C ATOM 646 CE2 PHE A 77 28.288 13.153 6.685 1.00 0.00 C ATOM 647 CZ PHE A 77 26.933 12.884 6.458 1.00 0.00 C ATOM 0 H PHE A 77 30.130 17.336 6.884 1.00 0.00 H new ATOM 0 HA PHE A 77 27.152 17.721 7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 77 29.087 16.366 8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.406 16.701 9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.585 15.656 7.903 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.712 14.531 7.525 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.912 13.581 6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 77 29.041 12.456 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.640 11.980 5.945 1.00 0.00 H new ATOM 657 N VAL A 78 27.436 19.853 8.290 1.00 0.00 N ATOM 658 CA VAL A 78 27.645 21.145 9.002 1.00 0.00 C ATOM 659 C VAL A 78 26.502 21.372 9.994 1.00 0.00 C ATOM 660 O VAL A 78 25.342 21.322 9.641 1.00 0.00 O ATOM 661 CB VAL A 78 27.671 22.288 7.988 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.910 23.611 8.718 1.00 0.00 C ATOM 663 CG2 VAL A 78 28.798 22.051 6.979 1.00 0.00 C ATOM 0 H VAL A 78 26.523 19.742 7.849 1.00 0.00 H new ATOM 0 HA VAL A 78 28.593 21.113 9.539 1.00 0.00 H new ATOM 0 HB VAL A 78 26.717 22.329 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.929 24.427 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 78 27.108 23.780 9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.864 23.570 9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 78 28.816 22.866 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.753 22.009 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 78 28.628 21.108 6.459 1.00 0.00 H new ATOM 673 N THR A 79 26.824 21.622 11.234 1.00 0.00 N ATOM 674 CA THR A 79 25.757 21.856 12.246 1.00 0.00 C ATOM 675 C THR A 79 25.693 23.346 12.583 1.00 0.00 C ATOM 676 O THR A 79 26.683 23.955 12.937 1.00 0.00 O ATOM 677 CB THR A 79 26.072 21.063 13.517 1.00 0.00 C ATOM 678 OG1 THR A 79 26.143 19.680 13.204 1.00 0.00 O ATOM 679 CG2 THR A 79 24.972 21.300 14.552 1.00 0.00 C ATOM 0 H THR A 79 27.779 21.674 11.589 1.00 0.00 H new ATOM 0 HA THR A 79 24.798 21.530 11.842 1.00 0.00 H new ATOM 0 HB THR A 79 27.028 21.392 13.925 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.346 19.171 14.016 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.196 20.735 15.457 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.920 22.362 14.791 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.015 20.972 14.147 1.00 0.00 H new ATOM 687 N TYR A 80 24.537 23.938 12.479 1.00 0.00 N ATOM 688 CA TYR A 80 24.416 25.388 12.797 1.00 0.00 C ATOM 689 C TYR A 80 24.025 25.549 14.268 1.00 0.00 C ATOM 690 O TYR A 80 23.763 24.585 14.960 1.00 0.00 O ATOM 691 CB TYR A 80 23.347 26.023 11.905 1.00 0.00 C ATOM 692 CG TYR A 80 24.007 26.628 10.688 1.00 0.00 C ATOM 693 CD1 TYR A 80 25.094 27.496 10.841 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.534 26.319 9.406 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.707 28.056 9.714 1.00 0.00 C ATOM 696 CE2 TYR A 80 24.148 26.879 8.280 1.00 0.00 C ATOM 697 CZ TYR A 80 25.235 27.748 8.433 1.00 0.00 C ATOM 698 OH TYR A 80 25.840 28.298 7.323 1.00 0.00 O ATOM 0 H TYR A 80 23.672 23.482 12.188 1.00 0.00 H new ATOM 0 HA TYR A 80 25.370 25.884 12.617 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.617 25.272 11.602 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.804 26.790 12.458 1.00 0.00 H new ATOM 0 HD1 TYR A 80 25.460 27.734 11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.696 25.649 9.287 1.00 0.00 H new ATOM 0 HE1 TYR A 80 26.545 28.727 9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.783 26.641 7.292 1.00 0.00 H new ATOM 0 HH TYR A 80 26.277 29.139 7.572 1.00 0.00 H new ATOM 708 N GLU A 81 23.991 26.761 14.751 1.00 0.00 N ATOM 709 CA GLU A 81 23.625 26.988 16.178 1.00 0.00 C ATOM 710 C GLU A 81 22.111 27.182 16.297 1.00 0.00 C ATOM 711 O GLU A 81 21.553 27.136 17.376 1.00 0.00 O ATOM 712 CB GLU A 81 24.344 28.237 16.693 1.00 0.00 C ATOM 713 CG GLU A 81 24.020 28.445 18.176 1.00 0.00 C ATOM 714 CD GLU A 81 24.488 29.836 18.610 1.00 0.00 C ATOM 715 OE1 GLU A 81 25.010 30.552 17.772 1.00 0.00 O ATOM 716 OE2 GLU A 81 24.316 30.159 19.774 1.00 0.00 O ATOM 0 H GLU A 81 24.201 27.605 14.218 1.00 0.00 H new ATOM 0 HA GLU A 81 23.924 26.124 16.772 1.00 0.00 H new ATOM 0 HB2 GLU A 81 25.420 28.131 16.557 1.00 0.00 H new ATOM 0 HB3 GLU A 81 24.035 29.110 16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.948 28.342 18.343 1.00 0.00 H new ATOM 0 HG3 GLU A 81 24.511 27.680 18.777 1.00 0.00 H new ATOM 723 N LYS A 82 21.438 27.395 15.200 1.00 0.00 N ATOM 724 CA LYS A 82 19.960 27.588 15.267 1.00 0.00 C ATOM 725 C LYS A 82 19.308 27.092 13.975 1.00 0.00 C ATOM 726 O LYS A 82 19.690 27.469 12.885 1.00 0.00 O ATOM 727 CB LYS A 82 19.653 29.074 15.462 1.00 0.00 C ATOM 728 CG LYS A 82 20.068 29.493 16.873 1.00 0.00 C ATOM 729 CD LYS A 82 19.448 30.850 17.205 1.00 0.00 C ATOM 730 CE LYS A 82 20.214 31.488 18.366 1.00 0.00 C ATOM 731 NZ LYS A 82 19.247 31.960 19.397 1.00 0.00 N ATOM 0 H LYS A 82 21.843 27.444 14.265 1.00 0.00 H new ATOM 0 HA LYS A 82 19.560 27.018 16.106 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.188 29.668 14.721 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.590 29.260 15.312 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.742 28.746 17.596 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.154 29.551 16.942 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.481 31.501 16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.398 30.727 17.471 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.903 30.765 18.802 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.814 32.323 18.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.766 32.394 20.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.606 32.663 18.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.693 31.153 19.749 1.00 0.00 H new ATOM 745 N MET A 83 18.320 26.247 14.096 1.00 0.00 N ATOM 746 CA MET A 83 17.629 25.716 12.886 1.00 0.00 C ATOM 747 C MET A 83 17.327 26.860 11.915 1.00 0.00 C ATOM 748 O MET A 83 17.191 26.656 10.725 1.00 0.00 O ATOM 749 CB MET A 83 16.320 25.034 13.304 1.00 0.00 C ATOM 750 CG MET A 83 15.257 26.089 13.634 1.00 0.00 C ATOM 751 SD MET A 83 15.794 27.084 15.049 1.00 0.00 S ATOM 752 CE MET A 83 14.867 26.197 16.326 1.00 0.00 C ATOM 0 H MET A 83 17.960 25.900 14.985 1.00 0.00 H new ATOM 0 HA MET A 83 18.275 24.991 12.391 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.965 24.388 12.501 1.00 0.00 H new ATOM 0 HB3 MET A 83 16.494 24.398 14.172 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.089 26.731 12.770 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.308 25.603 13.859 1.00 0.00 H new ATOM 0 HE1 MET A 83 15.057 26.654 17.297 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.801 26.248 16.103 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.184 25.154 16.348 1.00 0.00 H new ATOM 762 N GLU A 84 17.219 28.061 12.411 1.00 0.00 N ATOM 763 CA GLU A 84 16.923 29.212 11.513 1.00 0.00 C ATOM 764 C GLU A 84 18.117 29.461 10.588 1.00 0.00 C ATOM 765 O GLU A 84 18.012 29.356 9.382 1.00 0.00 O ATOM 766 CB GLU A 84 16.663 30.462 12.356 1.00 0.00 C ATOM 767 CG GLU A 84 15.448 30.225 13.257 1.00 0.00 C ATOM 768 CD GLU A 84 15.280 31.409 14.211 1.00 0.00 C ATOM 769 OE1 GLU A 84 16.162 32.254 14.238 1.00 0.00 O ATOM 770 OE2 GLU A 84 14.274 31.452 14.899 1.00 0.00 O ATOM 0 H GLU A 84 17.323 28.295 13.398 1.00 0.00 H new ATOM 0 HA GLU A 84 16.041 28.986 10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.539 30.694 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.487 31.321 11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.551 30.103 12.650 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.577 29.303 13.824 1.00 0.00 H new ATOM 777 N SER A 85 19.251 29.792 11.143 1.00 0.00 N ATOM 778 CA SER A 85 20.450 30.052 10.296 1.00 0.00 C ATOM 779 C SER A 85 20.602 28.939 9.256 1.00 0.00 C ATOM 780 O SER A 85 20.974 29.181 8.124 1.00 0.00 O ATOM 781 CB SER A 85 21.697 30.096 11.180 1.00 0.00 C ATOM 782 OG SER A 85 21.469 30.970 12.276 1.00 0.00 O ATOM 0 H SER A 85 19.399 29.894 12.147 1.00 0.00 H new ATOM 0 HA SER A 85 20.329 31.007 9.785 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.935 29.096 11.542 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.555 30.438 10.601 1.00 0.00 H new ATOM 0 HG SER A 85 22.267 30.997 12.844 1.00 0.00 H new ATOM 788 N ALA A 86 20.323 27.720 9.629 1.00 0.00 N ATOM 789 CA ALA A 86 20.459 26.594 8.662 1.00 0.00 C ATOM 790 C ALA A 86 19.379 26.706 7.582 1.00 0.00 C ATOM 791 O ALA A 86 19.622 26.448 6.420 1.00 0.00 O ATOM 792 CB ALA A 86 20.301 25.265 9.400 1.00 0.00 C ATOM 0 H ALA A 86 20.007 27.455 10.562 1.00 0.00 H new ATOM 0 HA ALA A 86 21.443 26.639 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 86 20.401 24.442 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 86 21.072 25.180 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 86 19.318 25.224 9.869 1.00 0.00 H new ATOM 798 N ASP A 87 18.187 27.083 7.956 1.00 0.00 N ATOM 799 CA ASP A 87 17.095 27.204 6.950 1.00 0.00 C ATOM 800 C ASP A 87 17.522 28.170 5.843 1.00 0.00 C ATOM 801 O ASP A 87 17.232 27.965 4.680 1.00 0.00 O ATOM 802 CB ASP A 87 15.832 27.734 7.630 1.00 0.00 C ATOM 803 CG ASP A 87 14.646 27.611 6.670 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.831 27.056 5.601 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.574 28.076 7.022 1.00 0.00 O ATOM 0 H ASP A 87 17.923 27.312 8.914 1.00 0.00 H new ATOM 0 HA ASP A 87 16.892 26.225 6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.634 27.172 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.972 28.775 7.921 1.00 0.00 H new ATOM 810 N GLN A 88 18.207 29.224 6.192 1.00 0.00 N ATOM 811 CA GLN A 88 18.648 30.203 5.159 1.00 0.00 C ATOM 812 C GLN A 88 19.811 29.615 4.358 1.00 0.00 C ATOM 813 O GLN A 88 19.908 29.797 3.160 1.00 0.00 O ATOM 814 CB GLN A 88 19.104 31.494 5.842 1.00 0.00 C ATOM 815 CG GLN A 88 19.334 32.576 4.786 1.00 0.00 C ATOM 816 CD GLN A 88 19.680 33.897 5.477 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.569 34.014 6.681 1.00 0.00 O ATOM 818 NE2 GLN A 88 20.099 34.904 4.760 1.00 0.00 N ATOM 0 H GLN A 88 18.480 29.450 7.148 1.00 0.00 H new ATOM 0 HA GLN A 88 17.817 30.419 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.352 31.824 6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 88 20.022 31.317 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 88 20.142 32.280 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.441 32.697 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.192 34.806 3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.333 35.789 5.211 1.00 0.00 H new ATOM 827 N ALA A 89 20.697 28.912 5.008 1.00 0.00 N ATOM 828 CA ALA A 89 21.854 28.316 4.283 1.00 0.00 C ATOM 829 C ALA A 89 21.388 27.097 3.484 1.00 0.00 C ATOM 830 O ALA A 89 21.788 26.893 2.356 1.00 0.00 O ATOM 831 CB ALA A 89 22.920 27.887 5.294 1.00 0.00 C ATOM 0 H ALA A 89 20.670 28.725 6.010 1.00 0.00 H new ATOM 0 HA ALA A 89 22.274 29.055 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.768 27.451 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.254 28.756 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.498 27.149 5.976 1.00 0.00 H new ATOM 837 N VAL A 90 20.548 26.283 4.062 1.00 0.00 N ATOM 838 CA VAL A 90 20.060 25.076 3.337 1.00 0.00 C ATOM 839 C VAL A 90 19.236 25.505 2.120 1.00 0.00 C ATOM 840 O VAL A 90 19.436 25.021 1.024 1.00 0.00 O ATOM 841 CB VAL A 90 19.185 24.239 4.273 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.468 23.154 3.468 1.00 0.00 C ATOM 843 CG2 VAL A 90 20.064 23.584 5.343 1.00 0.00 C ATOM 0 H VAL A 90 20.178 26.402 5.005 1.00 0.00 H new ATOM 0 HA VAL A 90 20.913 24.484 3.006 1.00 0.00 H new ATOM 0 HB VAL A 90 18.447 24.882 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.845 22.558 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.842 23.620 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.205 22.510 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.442 22.988 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.802 22.941 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.575 24.357 5.917 1.00 0.00 H new ATOM 853 N ALA A 91 18.310 26.405 2.304 1.00 0.00 N ATOM 854 CA ALA A 91 17.475 26.859 1.156 1.00 0.00 C ATOM 855 C ALA A 91 18.314 27.734 0.222 1.00 0.00 C ATOM 856 O ALA A 91 18.192 27.663 -0.985 1.00 0.00 O ATOM 857 CB ALA A 91 16.286 27.667 1.682 1.00 0.00 C ATOM 0 H ALA A 91 18.095 26.845 3.199 1.00 0.00 H new ATOM 0 HA ALA A 91 17.113 25.991 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.674 28.000 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.686 27.043 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.650 28.534 2.233 1.00 0.00 H new ATOM 863 N GLU A 92 19.163 28.560 0.769 1.00 0.00 N ATOM 864 CA GLU A 92 20.005 29.439 -0.091 1.00 0.00 C ATOM 865 C GLU A 92 21.111 28.609 -0.745 1.00 0.00 C ATOM 866 O GLU A 92 21.369 28.723 -1.927 1.00 0.00 O ATOM 867 CB GLU A 92 20.633 30.540 0.766 1.00 0.00 C ATOM 868 CG GLU A 92 21.315 31.564 -0.142 1.00 0.00 C ATOM 869 CD GLU A 92 20.276 32.198 -1.069 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.122 32.255 -0.681 1.00 0.00 O ATOM 871 OE2 GLU A 92 20.654 32.615 -2.152 1.00 0.00 O ATOM 0 H GLU A 92 19.310 28.664 1.773 1.00 0.00 H new ATOM 0 HA GLU A 92 19.384 29.890 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 92 19.868 31.027 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.358 30.109 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.799 32.334 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 92 22.096 31.081 -0.730 1.00 0.00 H new ATOM 878 N LEU A 93 21.770 27.775 0.013 1.00 0.00 N ATOM 879 CA LEU A 93 22.860 26.941 -0.569 1.00 0.00 C ATOM 880 C LEU A 93 22.257 25.888 -1.500 1.00 0.00 C ATOM 881 O LEU A 93 22.809 25.571 -2.535 1.00 0.00 O ATOM 882 CB LEU A 93 23.627 26.248 0.558 1.00 0.00 C ATOM 883 CG LEU A 93 24.252 27.303 1.473 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.779 26.630 2.742 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.408 27.992 0.744 1.00 0.00 C ATOM 0 H LEU A 93 21.601 27.635 1.009 1.00 0.00 H new ATOM 0 HA LEU A 93 23.541 27.576 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.955 25.608 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.403 25.605 0.143 1.00 0.00 H new ATOM 0 HG LEU A 93 23.498 28.044 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.224 27.381 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.956 26.140 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.532 25.889 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.853 28.744 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.162 27.252 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.033 28.472 -0.160 1.00 0.00 H new ATOM 897 N ASN A 94 21.127 25.342 -1.141 1.00 0.00 N ATOM 898 CA ASN A 94 20.490 24.309 -2.006 1.00 0.00 C ATOM 899 C ASN A 94 20.084 24.938 -3.340 1.00 0.00 C ATOM 900 O ASN A 94 19.443 25.969 -3.382 1.00 0.00 O ATOM 901 CB ASN A 94 19.249 23.753 -1.307 1.00 0.00 C ATOM 902 CG ASN A 94 18.683 22.590 -2.124 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.195 22.265 -3.176 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.639 21.944 -1.680 1.00 0.00 N ATOM 0 H ASN A 94 20.618 25.567 -0.286 1.00 0.00 H new ATOM 0 HA ASN A 94 21.199 23.501 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.505 23.416 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.498 24.535 -1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.254 21.167 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.208 22.216 -0.796 1.00 0.00 H new ATOM 911 N GLY A 95 20.453 24.325 -4.431 1.00 0.00 N ATOM 912 CA GLY A 95 20.088 24.887 -5.761 1.00 0.00 C ATOM 913 C GLY A 95 21.121 25.939 -6.172 1.00 0.00 C ATOM 914 O GLY A 95 20.814 26.884 -6.872 1.00 0.00 O ATOM 0 H GLY A 95 20.992 23.459 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.048 24.091 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.095 25.334 -5.718 1.00 0.00 H new ATOM 918 N THR A 96 22.342 25.784 -5.742 1.00 0.00 N ATOM 919 CA THR A 96 23.392 26.776 -6.109 1.00 0.00 C ATOM 920 C THR A 96 24.528 26.066 -6.850 1.00 0.00 C ATOM 921 O THR A 96 24.781 24.896 -6.641 1.00 0.00 O ATOM 922 CB THR A 96 23.941 27.432 -4.839 1.00 0.00 C ATOM 923 OG1 THR A 96 24.769 26.507 -4.149 1.00 0.00 O ATOM 924 CG2 THR A 96 22.779 27.851 -3.937 1.00 0.00 C ATOM 0 H THR A 96 22.659 25.014 -5.153 1.00 0.00 H new ATOM 0 HA THR A 96 22.960 27.541 -6.754 1.00 0.00 H new ATOM 0 HB THR A 96 24.526 28.312 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.279 26.135 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.170 28.318 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.145 28.562 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.193 26.973 -3.667 1.00 0.00 H new ATOM 932 N GLN A 97 25.213 26.764 -7.713 1.00 0.00 N ATOM 933 CA GLN A 97 26.330 26.130 -8.467 1.00 0.00 C ATOM 934 C GLN A 97 27.647 26.820 -8.105 1.00 0.00 C ATOM 935 O GLN A 97 27.696 28.016 -7.897 1.00 0.00 O ATOM 936 CB GLN A 97 26.076 26.273 -9.969 1.00 0.00 C ATOM 937 CG GLN A 97 27.199 25.584 -10.746 1.00 0.00 C ATOM 938 CD GLN A 97 26.983 25.792 -12.247 1.00 0.00 C ATOM 939 OE1 GLN A 97 25.978 26.337 -12.658 1.00 0.00 O ATOM 940 NE2 GLN A 97 27.890 25.376 -13.088 1.00 0.00 N ATOM 0 H GLN A 97 25.047 27.747 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 97 26.390 25.073 -8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.115 25.830 -10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.025 27.327 -10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.165 25.991 -10.447 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.216 24.519 -10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 97 28.734 24.918 -12.743 1.00 0.00 H new ATOM 0 HE22 GLN A 97 27.755 25.508 -14.090 1.00 0.00 H new ATOM 949 N VAL A 98 28.716 26.076 -8.030 1.00 0.00 N ATOM 950 CA VAL A 98 30.029 26.690 -7.683 1.00 0.00 C ATOM 951 C VAL A 98 30.744 27.114 -8.968 1.00 0.00 C ATOM 952 O VAL A 98 30.129 27.284 -10.002 1.00 0.00 O ATOM 953 CB VAL A 98 30.891 25.671 -6.929 1.00 0.00 C ATOM 954 CG1 VAL A 98 31.825 26.408 -5.966 1.00 0.00 C ATOM 955 CG2 VAL A 98 29.992 24.721 -6.136 1.00 0.00 C ATOM 0 H VAL A 98 28.737 25.069 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 98 29.867 27.562 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 98 31.480 25.098 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 98 32.439 25.685 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 98 32.469 27.083 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.233 26.982 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 98 30.608 23.998 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.400 25.292 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.326 24.195 -6.820 1.00 0.00 H new ATOM 965 N GLU A 99 32.036 27.284 -8.915 1.00 0.00 N ATOM 966 CA GLU A 99 32.785 27.696 -10.136 1.00 0.00 C ATOM 967 C GLU A 99 32.490 26.714 -11.271 1.00 0.00 C ATOM 968 O GLU A 99 32.370 27.094 -12.418 1.00 0.00 O ATOM 969 CB GLU A 99 34.284 27.698 -9.839 1.00 0.00 C ATOM 970 CG GLU A 99 34.589 28.733 -8.754 1.00 0.00 C ATOM 971 CD GLU A 99 36.099 28.796 -8.519 1.00 0.00 C ATOM 972 OE1 GLU A 99 36.799 27.957 -9.062 1.00 0.00 O ATOM 973 OE2 GLU A 99 36.530 29.682 -7.799 1.00 0.00 O ATOM 0 H GLU A 99 32.606 27.155 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 99 32.473 28.697 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 99 34.602 26.708 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 99 34.845 27.929 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 99 34.216 29.712 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.077 28.468 -7.829 1.00 0.00 H new ATOM 980 N SER A 100 32.372 25.451 -10.961 1.00 0.00 N ATOM 981 CA SER A 100 32.086 24.448 -12.024 1.00 0.00 C ATOM 982 C SER A 100 31.509 23.180 -11.390 1.00 0.00 C ATOM 983 O SER A 100 31.627 22.096 -11.927 1.00 0.00 O ATOM 984 CB SER A 100 33.380 24.104 -12.762 1.00 0.00 C ATOM 985 OG SER A 100 33.211 22.886 -13.473 1.00 0.00 O ATOM 0 H SER A 100 32.461 25.072 -10.018 1.00 0.00 H new ATOM 0 HA SER A 100 31.364 24.862 -12.728 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.642 24.906 -13.452 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.202 24.012 -12.052 1.00 0.00 H new ATOM 0 HG SER A 100 33.102 22.148 -12.837 1.00 0.00 H new ATOM 991 N VAL A 101 30.886 23.306 -10.249 1.00 0.00 N ATOM 992 CA VAL A 101 30.304 22.107 -9.583 1.00 0.00 C ATOM 993 C VAL A 101 28.924 22.457 -9.019 1.00 0.00 C ATOM 994 O VAL A 101 28.544 23.610 -8.955 1.00 0.00 O ATOM 995 CB VAL A 101 31.222 21.660 -8.443 1.00 0.00 C ATOM 996 CG1 VAL A 101 30.661 20.391 -7.800 1.00 0.00 C ATOM 997 CG2 VAL A 101 32.620 21.377 -8.996 1.00 0.00 C ATOM 0 H VAL A 101 30.755 24.186 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 101 30.207 21.300 -10.309 1.00 0.00 H new ATOM 0 HB VAL A 101 31.280 22.450 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.316 20.074 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 101 29.665 20.593 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.601 19.600 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 101 33.275 21.059 -8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.562 20.588 -9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.021 22.282 -9.452 1.00 0.00 H new ATOM 1007 N GLN A 102 28.172 21.473 -8.607 1.00 0.00 N ATOM 1008 CA GLN A 102 26.821 21.751 -8.046 1.00 0.00 C ATOM 1009 C GLN A 102 26.790 21.326 -6.577 1.00 0.00 C ATOM 1010 O GLN A 102 27.442 20.379 -6.183 1.00 0.00 O ATOM 1011 CB GLN A 102 25.770 20.960 -8.827 1.00 0.00 C ATOM 1012 CG GLN A 102 25.735 21.449 -10.276 1.00 0.00 C ATOM 1013 CD GLN A 102 24.689 20.653 -11.058 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.204 19.642 -10.590 1.00 0.00 O ATOM 1015 NE2 GLN A 102 24.319 21.069 -12.238 1.00 0.00 N ATOM 0 H GLN A 102 28.436 20.488 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 102 26.604 22.816 -8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.004 19.896 -8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 102 24.790 21.084 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.496 22.512 -10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 102 26.716 21.330 -10.735 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.726 21.918 -12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.622 20.545 -12.768 1.00 0.00 H new ATOM 1024 N LEU A 103 26.042 22.016 -5.763 1.00 0.00 N ATOM 1025 CA LEU A 103 25.978 21.645 -4.323 1.00 0.00 C ATOM 1026 C LEU A 103 24.530 21.351 -3.930 1.00 0.00 C ATOM 1027 O LEU A 103 23.630 22.118 -4.213 1.00 0.00 O ATOM 1028 CB LEU A 103 26.513 22.798 -3.474 1.00 0.00 C ATOM 1029 CG LEU A 103 27.717 22.311 -2.666 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.995 22.926 -3.235 1.00 0.00 C ATOM 1031 CD2 LEU A 103 27.555 22.731 -1.204 1.00 0.00 C ATOM 0 H LEU A 103 25.473 22.819 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 103 26.585 20.756 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.802 23.632 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 103 25.735 23.164 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 103 27.779 21.224 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.853 22.579 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 103 29.111 22.625 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.934 24.013 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 103 28.413 22.384 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 103 27.492 23.817 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 103 26.644 22.291 -0.798 1.00 0.00 H new ATOM 1043 N LYS A 104 24.298 20.245 -3.277 1.00 0.00 N ATOM 1044 CA LYS A 104 22.910 19.899 -2.861 1.00 0.00 C ATOM 1045 C LYS A 104 22.830 19.876 -1.334 1.00 0.00 C ATOM 1046 O LYS A 104 23.617 19.230 -0.671 1.00 0.00 O ATOM 1047 CB LYS A 104 22.541 18.520 -3.413 1.00 0.00 C ATOM 1048 CG LYS A 104 22.642 18.539 -4.940 1.00 0.00 C ATOM 1049 CD LYS A 104 22.182 17.191 -5.499 1.00 0.00 C ATOM 1050 CE LYS A 104 22.353 17.185 -7.019 1.00 0.00 C ATOM 1051 NZ LYS A 104 23.393 16.188 -7.396 1.00 0.00 N ATOM 0 H LYS A 104 25.011 19.565 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 104 22.215 20.643 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 104 23.208 17.762 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 104 21.529 18.253 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.027 19.342 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 104 23.669 18.740 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 104 22.763 16.383 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.138 17.014 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 104 21.407 16.940 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 104 22.641 18.177 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 23.510 16.183 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 24.296 16.441 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 23.100 15.243 -7.076 1.00 0.00 H new ATOM 1065 N VAL A 105 21.885 20.577 -0.768 1.00 0.00 N ATOM 1066 CA VAL A 105 21.760 20.596 0.716 1.00 0.00 C ATOM 1067 C VAL A 105 20.585 19.714 1.143 1.00 0.00 C ATOM 1068 O VAL A 105 19.520 19.754 0.560 1.00 0.00 O ATOM 1069 CB VAL A 105 21.518 22.029 1.190 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.572 22.078 2.717 1.00 0.00 C ATOM 1071 CG2 VAL A 105 22.597 22.947 0.611 1.00 0.00 C ATOM 0 H VAL A 105 21.195 21.137 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 105 22.680 20.216 1.161 1.00 0.00 H new ATOM 0 HB VAL A 105 20.537 22.362 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.399 23.100 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.803 21.425 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 105 22.552 21.744 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 105 22.425 23.969 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 105 23.578 22.614 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 105 22.558 22.913 -0.478 1.00 0.00 H new