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 Single : A 40 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 15:sc= -0.383 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -159:sc= -0.357 (180deg=-2.06!) 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= -0.0323 K(o=-0.032,f=-2.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -108:sc= -1.82 (180deg=-6.22!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 75 CYS SG : rot 96:sc= -1.36 USER MOD Single : A 79 THR OG1 : rot 80:sc= -0.234 USER MOD Single : A 80 TYR OH : rot -9:sc= -4.99! 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 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 94 ASN : amide:sc= -0.622 K(o=-0.62,f=-5.4!) USER MOD Single : A 96 THR OG1 : rot -93:sc= 1.01 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 SER OG : rot -45:sc= 0.792 USER MOD Single : A 102 GLN : amide:sc=-0.000428 K(o=-0.00043,f=-1.6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.843 22.567 14.231 1.00 0.00 N ATOM 79 CA ASN A 40 21.115 21.808 13.176 1.00 0.00 C ATOM 80 C ASN A 40 22.122 21.274 12.158 1.00 0.00 C ATOM 81 O ASN A 40 22.859 22.024 11.549 1.00 0.00 O ATOM 82 CB ASN A 40 20.117 22.732 12.474 1.00 0.00 C ATOM 83 CG ASN A 40 19.316 21.928 11.447 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.529 20.743 11.285 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.397 22.527 10.741 1.00 0.00 N ATOM 0 HA ASN A 40 20.575 20.977 13.629 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.445 23.182 13.205 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.645 23.549 11.981 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.858 22.000 10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.218 23.522 10.876 1.00 0.00 H new ATOM 92 N THR A 41 22.165 19.984 11.971 1.00 0.00 N ATOM 93 CA THR A 41 23.133 19.401 10.998 1.00 0.00 C ATOM 94 C THR A 41 22.570 19.499 9.579 1.00 0.00 C ATOM 95 O THR A 41 21.395 19.290 9.350 1.00 0.00 O ATOM 96 CB THR A 41 23.380 17.932 11.345 1.00 0.00 C ATOM 97 OG1 THR A 41 23.905 17.840 12.661 1.00 0.00 O ATOM 98 CG2 THR A 41 24.377 17.332 10.352 1.00 0.00 C ATOM 0 H THR A 41 21.571 19.307 12.450 1.00 0.00 H new ATOM 0 HA THR A 41 24.070 19.955 11.051 1.00 0.00 H new ATOM 0 HB THR A 41 22.441 17.382 11.289 1.00 0.00 H new ATOM 0 HG1 THR A 41 24.062 16.899 12.885 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.552 16.285 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 41 23.972 17.403 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.318 17.880 10.405 1.00 0.00 H new ATOM 106 N LEU A 42 23.405 19.804 8.623 1.00 0.00 N ATOM 107 CA LEU A 42 22.927 19.903 7.215 1.00 0.00 C ATOM 108 C LEU A 42 23.649 18.857 6.368 1.00 0.00 C ATOM 109 O LEU A 42 24.819 18.591 6.562 1.00 0.00 O ATOM 110 CB LEU A 42 23.227 21.299 6.666 1.00 0.00 C ATOM 111 CG LEU A 42 22.440 22.342 7.461 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.278 22.814 8.650 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.117 23.534 6.558 1.00 0.00 C ATOM 0 H LEU A 42 24.399 19.989 8.757 1.00 0.00 H new ATOM 0 HA LEU A 42 21.852 19.728 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.295 21.506 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.958 21.352 5.611 1.00 0.00 H new ATOM 0 HG LEU A 42 21.512 21.900 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.718 23.557 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.508 21.964 9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.206 23.257 8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.556 24.278 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 42 23.044 23.978 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.520 23.197 5.710 1.00 0.00 H new ATOM 125 N TYR A 43 22.965 18.262 5.431 1.00 0.00 N ATOM 126 CA TYR A 43 23.616 17.230 4.575 1.00 0.00 C ATOM 127 C TYR A 43 24.017 17.852 3.236 1.00 0.00 C ATOM 128 O TYR A 43 23.181 18.178 2.417 1.00 0.00 O ATOM 129 CB TYR A 43 22.637 16.080 4.331 1.00 0.00 C ATOM 130 CG TYR A 43 23.268 15.069 3.403 1.00 0.00 C ATOM 131 CD1 TYR A 43 23.123 15.206 2.018 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.996 13.995 3.929 1.00 0.00 C ATOM 133 CE1 TYR A 43 23.707 14.268 1.157 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.580 13.058 3.069 1.00 0.00 C ATOM 135 CZ TYR A 43 24.435 13.194 1.683 1.00 0.00 C ATOM 136 OH TYR A 43 25.010 12.269 0.835 1.00 0.00 O ATOM 0 H TYR A 43 21.984 18.445 5.221 1.00 0.00 H new ATOM 0 HA TYR A 43 24.506 16.851 5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.373 15.606 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.713 16.461 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 43 22.561 16.035 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.107 13.890 4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.596 14.373 0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 43 25.143 12.230 3.474 1.00 0.00 H new ATOM 0 HH TYR A 43 25.024 12.626 -0.078 1.00 0.00 H new ATOM 146 N VAL A 44 25.291 18.018 3.006 1.00 0.00 N ATOM 147 CA VAL A 44 25.744 18.617 1.719 1.00 0.00 C ATOM 148 C VAL A 44 26.371 17.528 0.846 1.00 0.00 C ATOM 149 O VAL A 44 27.035 16.634 1.331 1.00 0.00 O ATOM 150 CB VAL A 44 26.780 19.707 2.000 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.316 20.253 0.676 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.126 20.841 2.792 1.00 0.00 C ATOM 0 H VAL A 44 26.037 17.765 3.654 1.00 0.00 H new ATOM 0 HA VAL A 44 24.891 19.054 1.200 1.00 0.00 H new ATOM 0 HB VAL A 44 27.602 19.287 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.054 21.030 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.782 19.445 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.494 20.673 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 44 26.864 21.618 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.304 21.262 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.743 20.452 3.736 1.00 0.00 H new ATOM 162 N TYR A 45 26.164 17.594 -0.441 1.00 0.00 N ATOM 163 CA TYR A 45 26.747 16.560 -1.344 1.00 0.00 C ATOM 164 C TYR A 45 27.425 17.244 -2.533 1.00 0.00 C ATOM 165 O TYR A 45 26.888 18.159 -3.124 1.00 0.00 O ATOM 166 CB TYR A 45 25.634 15.640 -1.850 1.00 0.00 C ATOM 167 CG TYR A 45 26.220 14.595 -2.769 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.727 13.402 -2.239 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.257 14.818 -4.150 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.269 12.432 -3.091 1.00 0.00 C ATOM 171 CE2 TYR A 45 26.799 13.849 -5.002 1.00 0.00 C ATOM 172 CZ TYR A 45 27.306 12.656 -4.473 1.00 0.00 C ATOM 173 OH TYR A 45 27.840 11.700 -5.312 1.00 0.00 O ATOM 0 H TYR A 45 25.617 18.318 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 45 27.483 15.972 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.134 15.160 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 45 24.879 16.222 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.700 13.230 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 45 25.867 15.739 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.658 11.511 -2.683 1.00 0.00 H new ATOM 0 HE2 TYR A 45 26.826 14.022 -6.068 1.00 0.00 H new ATOM 0 HH TYR A 45 27.788 12.013 -6.239 1.00 0.00 H new ATOM 183 N GLY A 46 28.602 16.807 -2.890 1.00 0.00 N ATOM 184 CA GLY A 46 29.311 17.432 -4.041 1.00 0.00 C ATOM 185 C GLY A 46 30.682 16.775 -4.216 1.00 0.00 C ATOM 186 O GLY A 46 31.017 15.825 -3.536 1.00 0.00 O ATOM 0 H GLY A 46 29.103 16.044 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.722 17.316 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.428 18.502 -3.871 1.00 0.00 H new ATOM 190 N GLU A 47 31.477 17.272 -5.123 1.00 0.00 N ATOM 191 CA GLU A 47 32.825 16.676 -5.342 1.00 0.00 C ATOM 192 C GLU A 47 33.901 17.697 -4.963 1.00 0.00 C ATOM 193 O GLU A 47 33.655 18.887 -4.928 1.00 0.00 O ATOM 194 CB GLU A 47 32.981 16.294 -6.815 1.00 0.00 C ATOM 195 CG GLU A 47 31.893 15.289 -7.199 1.00 0.00 C ATOM 196 CD GLU A 47 32.092 14.851 -8.652 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.906 15.460 -9.327 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.427 13.915 -9.064 1.00 0.00 O ATOM 0 H GLU A 47 31.251 18.066 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 47 32.934 15.786 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.908 17.183 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 33.967 15.862 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.933 14.423 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.908 15.739 -7.075 1.00 0.00 H new ATOM 205 N ASP A 48 35.090 17.242 -4.678 1.00 0.00 N ATOM 206 CA ASP A 48 36.178 18.188 -4.301 1.00 0.00 C ATOM 207 C ASP A 48 35.633 19.225 -3.318 1.00 0.00 C ATOM 208 O ASP A 48 35.802 20.416 -3.499 1.00 0.00 O ATOM 209 CB ASP A 48 36.695 18.897 -5.556 1.00 0.00 C ATOM 210 CG ASP A 48 37.167 17.855 -6.573 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.391 16.724 -6.173 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.297 18.206 -7.733 1.00 0.00 O ATOM 0 H ASP A 48 35.355 16.257 -4.690 1.00 0.00 H new ATOM 0 HA ASP A 48 36.994 17.637 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 48 35.907 19.513 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.516 19.566 -5.297 1.00 0.00 H new ATOM 217 N MET A 49 34.979 18.786 -2.279 1.00 0.00 N ATOM 218 CA MET A 49 34.424 19.748 -1.285 1.00 0.00 C ATOM 219 C MET A 49 35.350 19.818 -0.069 1.00 0.00 C ATOM 220 O MET A 49 35.811 18.811 0.431 1.00 0.00 O ATOM 221 CB MET A 49 33.037 19.280 -0.843 1.00 0.00 C ATOM 222 CG MET A 49 32.066 19.376 -2.023 1.00 0.00 C ATOM 223 SD MET A 49 30.379 19.069 -1.442 1.00 0.00 S ATOM 224 CE MET A 49 30.709 17.498 -0.607 1.00 0.00 C ATOM 0 H MET A 49 34.804 17.802 -2.075 1.00 0.00 H new ATOM 0 HA MET A 49 34.347 20.736 -1.740 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.086 18.253 -0.481 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.681 19.893 -0.015 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.130 20.363 -2.481 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.336 18.650 -2.790 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.778 16.942 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.413 16.913 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.135 17.692 0.378 1.00 0.00 H new ATOM 234 N THR A 50 35.625 20.999 0.411 1.00 0.00 N ATOM 235 CA THR A 50 36.520 21.132 1.595 1.00 0.00 C ATOM 236 C THR A 50 35.782 21.876 2.709 1.00 0.00 C ATOM 237 O THR A 50 34.751 22.479 2.486 1.00 0.00 O ATOM 238 CB THR A 50 37.775 21.916 1.201 1.00 0.00 C ATOM 239 OG1 THR A 50 37.552 22.571 -0.041 1.00 0.00 O ATOM 240 CG2 THR A 50 38.959 20.956 1.070 1.00 0.00 C ATOM 0 H THR A 50 35.269 21.878 0.035 1.00 0.00 H new ATOM 0 HA THR A 50 36.807 20.141 1.947 1.00 0.00 H new ATOM 0 HB THR A 50 37.996 22.658 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.354 23.075 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.852 21.515 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.129 20.456 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.741 20.212 0.304 1.00 0.00 H new ATOM 248 N PRO A 51 36.327 21.831 3.933 1.00 0.00 N ATOM 249 CA PRO A 51 35.726 22.500 5.093 1.00 0.00 C ATOM 250 C PRO A 51 35.839 24.023 4.991 1.00 0.00 C ATOM 251 O PRO A 51 34.867 24.738 5.127 1.00 0.00 O ATOM 252 CB PRO A 51 36.557 21.990 6.270 1.00 0.00 C ATOM 253 CG PRO A 51 37.870 21.613 5.670 1.00 0.00 C ATOM 254 CD PRO A 51 37.571 21.123 4.280 1.00 0.00 C ATOM 0 HA PRO A 51 34.661 22.287 5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.676 22.759 7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.081 21.135 6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.546 22.468 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.359 20.837 6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.377 21.362 3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.439 20.041 4.254 1.00 0.00 H new ATOM 262 N THR A 52 37.020 24.525 4.752 1.00 0.00 N ATOM 263 CA THR A 52 37.192 26.001 4.641 1.00 0.00 C ATOM 264 C THR A 52 36.138 26.562 3.685 1.00 0.00 C ATOM 265 O THR A 52 35.462 27.527 3.986 1.00 0.00 O ATOM 266 CB THR A 52 38.590 26.314 4.101 1.00 0.00 C ATOM 267 OG1 THR A 52 39.567 25.716 4.944 1.00 0.00 O ATOM 268 CG2 THR A 52 38.799 27.828 4.070 1.00 0.00 C ATOM 0 H THR A 52 37.872 23.978 4.629 1.00 0.00 H new ATOM 0 HA THR A 52 37.074 26.457 5.624 1.00 0.00 H new ATOM 0 HB THR A 52 38.688 25.915 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.462 25.914 4.599 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.794 28.050 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.050 28.286 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.702 28.229 5.079 1.00 0.00 H new ATOM 276 N LEU A 53 35.989 25.965 2.533 1.00 0.00 N ATOM 277 CA LEU A 53 34.977 26.464 1.561 1.00 0.00 C ATOM 278 C LEU A 53 33.590 26.405 2.203 1.00 0.00 C ATOM 279 O LEU A 53 32.832 27.354 2.154 1.00 0.00 O ATOM 280 CB LEU A 53 34.997 25.589 0.307 1.00 0.00 C ATOM 281 CG LEU A 53 34.029 26.164 -0.730 1.00 0.00 C ATOM 282 CD1 LEU A 53 34.663 27.384 -1.401 1.00 0.00 C ATOM 283 CD2 LEU A 53 33.724 25.101 -1.787 1.00 0.00 C ATOM 0 H LEU A 53 36.525 25.154 2.224 1.00 0.00 H new ATOM 0 HA LEU A 53 35.210 27.493 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.005 25.547 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.713 24.567 0.559 1.00 0.00 H new ATOM 0 HG LEU A 53 33.104 26.462 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 33.973 27.793 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 53 34.880 28.142 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 53 35.589 27.088 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.035 25.510 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 53 34.649 24.802 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.271 24.232 -1.309 1.00 0.00 H new ATOM 295 N LEU A 54 33.252 25.299 2.807 1.00 0.00 N ATOM 296 CA LEU A 54 31.916 25.183 3.454 1.00 0.00 C ATOM 297 C LEU A 54 31.745 26.314 4.469 1.00 0.00 C ATOM 298 O LEU A 54 30.721 26.964 4.522 1.00 0.00 O ATOM 299 CB LEU A 54 31.811 23.835 4.169 1.00 0.00 C ATOM 300 CG LEU A 54 31.917 22.704 3.144 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.470 21.450 3.824 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.531 22.405 2.571 1.00 0.00 C ATOM 0 H LEU A 54 33.843 24.471 2.880 1.00 0.00 H new ATOM 0 HA LEU A 54 31.136 25.252 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.604 23.743 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.864 23.768 4.704 1.00 0.00 H new ATOM 0 HG LEU A 54 32.586 23.005 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.546 20.644 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.458 21.663 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.801 21.148 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.605 21.599 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.861 22.104 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.137 23.299 2.087 1.00 0.00 H new ATOM 314 N ARG A 55 32.745 26.555 5.273 1.00 0.00 N ATOM 315 CA ARG A 55 32.641 27.646 6.282 1.00 0.00 C ATOM 316 C ARG A 55 32.206 28.937 5.587 1.00 0.00 C ATOM 317 O ARG A 55 31.376 29.671 6.085 1.00 0.00 O ATOM 318 CB ARG A 55 34.002 27.858 6.947 1.00 0.00 C ATOM 319 CG ARG A 55 34.340 26.644 7.816 1.00 0.00 C ATOM 320 CD ARG A 55 35.711 26.845 8.463 1.00 0.00 C ATOM 321 NE ARG A 55 35.611 27.886 9.525 1.00 0.00 N ATOM 322 CZ ARG A 55 35.731 29.148 9.215 1.00 0.00 C ATOM 323 NH1 ARG A 55 36.776 29.561 8.551 1.00 0.00 N ATOM 324 NH2 ARG A 55 34.805 29.997 9.568 1.00 0.00 N ATOM 0 H ARG A 55 33.628 26.044 5.274 1.00 0.00 H new ATOM 0 HA ARG A 55 31.907 27.374 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.771 28.001 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.984 28.761 7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.579 26.511 8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.342 25.738 7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 55 36.064 25.907 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 55 36.440 27.147 7.710 1.00 0.00 H new ATOM 0 HE ARG A 55 35.449 27.612 10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 55 37.499 28.897 8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 55 36.869 30.547 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 55 33.988 29.674 10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 55 34.898 30.983 9.326 1.00 0.00 H new ATOM 338 N GLY A 56 32.758 29.218 4.439 1.00 0.00 N ATOM 339 CA GLY A 56 32.374 30.460 3.712 1.00 0.00 C ATOM 340 C GLY A 56 30.950 30.310 3.171 1.00 0.00 C ATOM 341 O GLY A 56 30.227 31.275 3.022 1.00 0.00 O ATOM 0 H GLY A 56 33.458 28.641 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.433 31.319 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.069 30.645 2.893 1.00 0.00 H new ATOM 345 N ALA A 57 30.541 29.105 2.878 1.00 0.00 N ATOM 346 CA ALA A 57 29.165 28.892 2.348 1.00 0.00 C ATOM 347 C ALA A 57 28.164 28.919 3.505 1.00 0.00 C ATOM 348 O ALA A 57 26.992 29.175 3.319 1.00 0.00 O ATOM 349 CB ALA A 57 29.093 27.537 1.642 1.00 0.00 C ATOM 0 H ALA A 57 31.101 28.259 2.983 1.00 0.00 H new ATOM 0 HA ALA A 57 28.922 29.683 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.086 27.382 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.806 27.518 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.336 26.745 2.350 1.00 0.00 H new ATOM 355 N PHE A 58 28.618 28.655 4.700 1.00 0.00 N ATOM 356 CA PHE A 58 27.694 28.667 5.868 1.00 0.00 C ATOM 357 C PHE A 58 28.159 29.722 6.876 1.00 0.00 C ATOM 358 O PHE A 58 27.642 29.819 7.971 1.00 0.00 O ATOM 359 CB PHE A 58 27.699 27.290 6.536 1.00 0.00 C ATOM 360 CG PHE A 58 27.102 26.270 5.595 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.924 25.584 4.693 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.727 26.010 5.626 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.371 24.638 3.822 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.174 25.063 4.755 1.00 0.00 C ATOM 365 CZ PHE A 58 25.996 24.378 3.852 1.00 0.00 C ATOM 0 H PHE A 58 29.589 28.432 4.917 1.00 0.00 H new ATOM 0 HA PHE A 58 26.685 28.905 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.718 27.005 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.128 27.322 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.985 25.785 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 58 25.093 26.540 6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 58 28.005 24.109 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 58 24.113 24.861 4.780 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.569 23.649 3.179 1.00 0.00 H new ATOM 375 N SER A 59 29.133 30.511 6.515 1.00 0.00 N ATOM 376 CA SER A 59 29.634 31.557 7.450 1.00 0.00 C ATOM 377 C SER A 59 28.610 32.690 7.559 1.00 0.00 C ATOM 378 O SER A 59 28.148 33.017 8.635 1.00 0.00 O ATOM 379 CB SER A 59 30.957 32.117 6.925 1.00 0.00 C ATOM 380 OG SER A 59 31.043 33.501 7.235 1.00 0.00 O ATOM 0 H SER A 59 29.604 30.476 5.611 1.00 0.00 H new ATOM 0 HA SER A 59 29.787 31.115 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.794 31.581 7.372 1.00 0.00 H new ATOM 0 HB3 SER A 59 31.024 31.970 5.847 1.00 0.00 H new ATOM 0 HG SER A 59 31.891 33.859 6.900 1.00 0.00 H new ATOM 386 N PRO A 60 28.254 33.304 6.420 1.00 0.00 N ATOM 387 CA PRO A 60 27.285 34.408 6.384 1.00 0.00 C ATOM 388 C PRO A 60 25.864 33.933 6.700 1.00 0.00 C ATOM 389 O PRO A 60 25.063 34.665 7.246 1.00 0.00 O ATOM 390 CB PRO A 60 27.363 34.907 4.941 1.00 0.00 C ATOM 391 CG PRO A 60 27.846 33.730 4.162 1.00 0.00 C ATOM 392 CD PRO A 60 28.763 32.969 5.078 1.00 0.00 C ATOM 0 HA PRO A 60 27.511 35.173 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.390 35.246 4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 60 28.047 35.751 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 60 27.011 33.107 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.371 34.048 3.261 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.722 31.896 4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.802 33.275 4.953 1.00 0.00 H new ATOM 400 N PHE A 61 25.546 32.713 6.364 1.00 0.00 N ATOM 401 CA PHE A 61 24.177 32.197 6.648 1.00 0.00 C ATOM 402 C PHE A 61 23.959 32.150 8.162 1.00 0.00 C ATOM 403 O PHE A 61 22.869 32.374 8.649 1.00 0.00 O ATOM 404 CB PHE A 61 24.032 30.788 6.069 1.00 0.00 C ATOM 405 CG PHE A 61 23.837 30.875 4.575 1.00 0.00 C ATOM 406 CD1 PHE A 61 24.947 30.869 3.723 1.00 0.00 C ATOM 407 CD2 PHE A 61 22.545 30.959 4.040 1.00 0.00 C ATOM 408 CE1 PHE A 61 24.767 30.947 2.336 1.00 0.00 C ATOM 409 CE2 PHE A 61 22.365 31.038 2.654 1.00 0.00 C ATOM 410 CZ PHE A 61 23.476 31.031 1.802 1.00 0.00 C ATOM 0 H PHE A 61 26.174 32.052 5.906 1.00 0.00 H new ATOM 0 HA PHE A 61 23.437 32.854 6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.919 30.197 6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.184 30.280 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.943 30.804 4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.688 30.963 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.624 30.942 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.369 31.104 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.337 31.090 0.733 1.00 0.00 H new ATOM 420 N GLY A 62 24.989 31.861 8.910 1.00 0.00 N ATOM 421 CA GLY A 62 24.842 31.800 10.391 1.00 0.00 C ATOM 422 C GLY A 62 26.146 31.290 11.011 1.00 0.00 C ATOM 423 O GLY A 62 27.140 31.116 10.333 1.00 0.00 O ATOM 0 H GLY A 62 25.926 31.664 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.601 32.788 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.017 31.140 10.659 1.00 0.00 H new ATOM 427 N ASN A 63 26.151 31.049 12.294 1.00 0.00 N ATOM 428 CA ASN A 63 27.391 30.550 12.952 1.00 0.00 C ATOM 429 C ASN A 63 27.341 29.025 13.049 1.00 0.00 C ATOM 430 O ASN A 63 26.313 28.445 13.341 1.00 0.00 O ATOM 431 CB ASN A 63 27.497 31.147 14.358 1.00 0.00 C ATOM 432 CG ASN A 63 28.894 30.877 14.922 1.00 0.00 C ATOM 433 OD1 ASN A 63 29.816 30.594 14.183 1.00 0.00 O ATOM 434 ND2 ASN A 63 29.091 30.953 16.210 1.00 0.00 N ATOM 0 H ASN A 63 25.351 31.176 12.914 1.00 0.00 H new ATOM 0 HA ASN A 63 28.259 30.847 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 63 27.308 32.220 14.325 1.00 0.00 H new ATOM 0 HB3 ASN A 63 26.740 30.710 15.009 1.00 0.00 H new ATOM 0 HD21 ASN A 63 30.018 30.775 16.595 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.318 31.191 16.831 1.00 0.00 H new ATOM 441 N ILE A 64 28.442 28.369 12.806 1.00 0.00 N ATOM 442 CA ILE A 64 28.458 26.881 12.885 1.00 0.00 C ATOM 443 C ILE A 64 29.099 26.450 14.207 1.00 0.00 C ATOM 444 O ILE A 64 30.122 26.968 14.608 1.00 0.00 O ATOM 445 CB ILE A 64 29.266 26.318 11.715 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.665 26.806 10.396 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.224 24.789 11.759 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.676 26.599 9.266 1.00 0.00 C ATOM 0 H ILE A 64 29.332 28.800 12.556 1.00 0.00 H new ATOM 0 HA ILE A 64 27.438 26.501 12.836 1.00 0.00 H new ATOM 0 HB ILE A 64 30.299 26.658 11.790 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.746 26.262 10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.401 27.861 10.473 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.799 24.385 10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.652 24.440 12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.190 24.451 11.684 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.247 26.947 8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.583 27.163 9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.918 25.539 9.184 1.00 0.00 H new ATOM 460 N ILE A 65 28.506 25.506 14.885 1.00 0.00 N ATOM 461 CA ILE A 65 29.082 25.045 16.179 1.00 0.00 C ATOM 462 C ILE A 65 29.907 23.777 15.952 1.00 0.00 C ATOM 463 O ILE A 65 30.786 23.451 16.724 1.00 0.00 O ATOM 464 CB ILE A 65 27.948 24.746 17.164 1.00 0.00 C ATOM 465 CG1 ILE A 65 27.175 23.512 16.694 1.00 0.00 C ATOM 466 CG2 ILE A 65 27.000 25.945 17.228 1.00 0.00 C ATOM 467 CD1 ILE A 65 26.069 23.189 17.701 1.00 0.00 C ATOM 0 H ILE A 65 27.648 25.034 14.599 1.00 0.00 H new ATOM 0 HA ILE A 65 29.724 25.825 16.587 1.00 0.00 H new ATOM 0 HB ILE A 65 28.366 24.558 18.153 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.744 23.693 15.709 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.851 22.662 16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 65 26.192 25.733 17.929 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.549 26.825 17.562 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.582 26.132 16.239 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.518 22.310 17.367 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.512 22.990 18.677 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.388 24.037 17.778 1.00 0.00 H new ATOM 479 N ASP A 66 29.631 23.058 14.898 1.00 0.00 N ATOM 480 CA ASP A 66 30.403 21.812 14.626 1.00 0.00 C ATOM 481 C ASP A 66 30.490 21.583 13.116 1.00 0.00 C ATOM 482 O ASP A 66 29.493 21.565 12.421 1.00 0.00 O ATOM 483 CB ASP A 66 29.696 20.623 15.281 1.00 0.00 C ATOM 484 CG ASP A 66 30.609 19.396 15.226 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.736 19.540 14.782 1.00 0.00 O ATOM 486 OD2 ASP A 66 30.165 18.333 15.629 1.00 0.00 O ATOM 0 H ASP A 66 28.906 23.279 14.215 1.00 0.00 H new ATOM 0 HA ASP A 66 31.408 21.911 15.036 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.447 20.859 16.316 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.758 20.415 14.767 1.00 0.00 H new ATOM 491 N LEU A 67 31.677 21.406 12.602 1.00 0.00 N ATOM 492 CA LEU A 67 31.831 21.177 11.139 1.00 0.00 C ATOM 493 C LEU A 67 32.313 19.746 10.895 1.00 0.00 C ATOM 494 O LEU A 67 33.389 19.364 11.309 1.00 0.00 O ATOM 495 CB LEU A 67 32.855 22.163 10.574 1.00 0.00 C ATOM 496 CG LEU A 67 33.026 21.917 9.073 1.00 0.00 C ATOM 497 CD1 LEU A 67 31.851 22.542 8.318 1.00 0.00 C ATOM 498 CD2 LEU A 67 34.334 22.552 8.599 1.00 0.00 C ATOM 0 H LEU A 67 32.547 21.410 13.134 1.00 0.00 H new ATOM 0 HA LEU A 67 30.871 21.326 10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.525 23.187 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.811 22.043 11.084 1.00 0.00 H new ATOM 0 HG LEU A 67 33.053 20.845 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 67 31.971 22.368 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 67 30.919 22.090 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.824 23.615 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 67 34.457 22.377 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 67 34.308 23.625 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 67 35.171 22.107 9.138 1.00 0.00 H new ATOM 510 N SER A 68 31.524 18.949 10.227 1.00 0.00 N ATOM 511 CA SER A 68 31.939 17.543 9.960 1.00 0.00 C ATOM 512 C SER A 68 31.920 17.283 8.452 1.00 0.00 C ATOM 513 O SER A 68 31.095 17.811 7.732 1.00 0.00 O ATOM 514 CB SER A 68 30.970 16.585 10.655 1.00 0.00 C ATOM 515 OG SER A 68 31.041 16.777 12.060 1.00 0.00 O ATOM 0 H SER A 68 30.611 19.211 9.855 1.00 0.00 H new ATOM 0 HA SER A 68 32.947 17.382 10.343 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.953 16.761 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.219 15.554 10.405 1.00 0.00 H new ATOM 0 HG SER A 68 30.419 16.165 12.506 1.00 0.00 H new ATOM 521 N MET A 69 32.822 16.474 7.967 1.00 0.00 N ATOM 522 CA MET A 69 32.854 16.183 6.507 1.00 0.00 C ATOM 523 C MET A 69 32.949 14.672 6.288 1.00 0.00 C ATOM 524 O MET A 69 33.512 13.953 7.089 1.00 0.00 O ATOM 525 CB MET A 69 34.069 16.865 5.877 1.00 0.00 C ATOM 526 CG MET A 69 33.930 18.383 6.013 1.00 0.00 C ATOM 527 SD MET A 69 35.156 19.198 4.961 1.00 0.00 S ATOM 528 CE MET A 69 34.411 18.769 3.369 1.00 0.00 C ATOM 0 H MET A 69 33.538 16.002 8.519 1.00 0.00 H new ATOM 0 HA MET A 69 31.943 16.561 6.043 1.00 0.00 H new ATOM 0 HB2 MET A 69 34.983 16.528 6.366 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.150 16.589 4.826 1.00 0.00 H new ATOM 0 HG2 MET A 69 32.925 18.694 5.727 1.00 0.00 H new ATOM 0 HG3 MET A 69 34.072 18.680 7.052 1.00 0.00 H new ATOM 0 HE1 MET A 69 35.021 18.013 2.874 1.00 0.00 H new ATOM 0 HE2 MET A 69 33.407 18.376 3.531 1.00 0.00 H new ATOM 0 HE3 MET A 69 34.356 19.659 2.742 1.00 0.00 H new ATOM 538 N ASP A 70 32.403 14.183 5.208 1.00 0.00 N ATOM 539 CA ASP A 70 32.464 12.719 4.938 1.00 0.00 C ATOM 540 C ASP A 70 33.120 12.478 3.577 1.00 0.00 C ATOM 541 O ASP A 70 32.516 12.682 2.543 1.00 0.00 O ATOM 542 CB ASP A 70 31.046 12.143 4.931 1.00 0.00 C ATOM 543 CG ASP A 70 31.053 10.764 5.593 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.901 10.539 6.441 1.00 0.00 O ATOM 545 OD2 ASP A 70 30.208 9.956 5.242 1.00 0.00 O ATOM 0 H ASP A 70 31.917 14.735 4.501 1.00 0.00 H new ATOM 0 HA ASP A 70 33.051 12.230 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.368 12.810 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.679 12.065 3.908 1.00 0.00 H new ATOM 550 N PRO A 71 34.385 12.031 3.584 1.00 0.00 N ATOM 551 CA PRO A 71 35.132 11.760 2.355 1.00 0.00 C ATOM 552 C PRO A 71 34.700 10.461 1.643 1.00 0.00 C ATOM 553 O PRO A 71 34.834 10.355 0.439 1.00 0.00 O ATOM 554 CB PRO A 71 36.580 11.649 2.827 1.00 0.00 C ATOM 555 CG PRO A 71 36.499 11.255 4.266 1.00 0.00 C ATOM 556 CD PRO A 71 35.183 11.764 4.796 1.00 0.00 C ATOM 0 HA PRO A 71 34.962 12.544 1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.127 10.906 2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.106 12.596 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.563 10.172 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.330 11.680 4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.700 11.027 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.316 12.667 5.392 1.00 0.00 H new ATOM 564 N PRO A 72 34.177 9.447 2.372 1.00 0.00 N ATOM 565 CA PRO A 72 33.755 8.191 1.743 1.00 0.00 C ATOM 566 C PRO A 72 32.432 8.348 0.987 1.00 0.00 C ATOM 567 O PRO A 72 32.205 7.715 -0.024 1.00 0.00 O ATOM 568 CB PRO A 72 33.570 7.237 2.920 1.00 0.00 C ATOM 569 CG PRO A 72 33.278 8.118 4.087 1.00 0.00 C ATOM 570 CD PRO A 72 33.959 9.435 3.832 1.00 0.00 C ATOM 0 HA PRO A 72 34.481 7.844 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 72 32.753 6.539 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 72 34.467 6.641 3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.203 8.257 4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 72 33.644 7.668 5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.339 10.273 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 72 34.900 9.510 4.377 1.00 0.00 H new ATOM 578 N ARG A 73 31.557 9.186 1.471 1.00 0.00 N ATOM 579 CA ARG A 73 30.251 9.380 0.780 1.00 0.00 C ATOM 580 C ARG A 73 30.268 10.702 0.008 1.00 0.00 C ATOM 581 O ARG A 73 29.318 11.050 -0.666 1.00 0.00 O ATOM 582 CB ARG A 73 29.125 9.411 1.815 1.00 0.00 C ATOM 583 CG ARG A 73 27.773 9.391 1.098 1.00 0.00 C ATOM 584 CD ARG A 73 26.645 9.448 2.130 1.00 0.00 C ATOM 585 NE ARG A 73 25.332 9.324 1.437 1.00 0.00 N ATOM 586 CZ ARG A 73 24.240 9.721 2.031 1.00 0.00 C ATOM 587 NH1 ARG A 73 24.194 9.791 3.333 1.00 0.00 N ATOM 588 NH2 ARG A 73 23.196 10.049 1.321 1.00 0.00 N ATOM 0 H ARG A 73 31.690 9.744 2.314 1.00 0.00 H new ATOM 0 HA ARG A 73 30.086 8.557 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.207 8.554 2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 73 29.208 10.306 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 73 27.699 10.238 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 73 27.683 8.487 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 73 26.762 8.645 2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 73 26.690 10.387 2.682 1.00 0.00 H new ATOM 0 HE ARG A 73 25.287 8.929 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 73 25.012 9.535 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 73 23.340 10.101 3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 73 23.234 9.995 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.342 10.359 1.784 1.00 0.00 H new ATOM 602 N ASN A 74 31.339 11.442 0.099 1.00 0.00 N ATOM 603 CA ASN A 74 31.409 12.739 -0.632 1.00 0.00 C ATOM 604 C ASN A 74 30.311 13.674 -0.120 1.00 0.00 C ATOM 605 O ASN A 74 29.676 14.376 -0.881 1.00 0.00 O ATOM 606 CB ASN A 74 31.214 12.492 -2.129 1.00 0.00 C ATOM 607 CG ASN A 74 32.299 11.540 -2.635 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.440 11.628 -2.224 1.00 0.00 O ATOM 609 ND2 ASN A 74 31.991 10.628 -3.517 1.00 0.00 N ATOM 0 H ASN A 74 32.167 11.206 0.646 1.00 0.00 H new ATOM 0 HA ASN A 74 32.383 13.198 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.227 12.066 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.260 13.435 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 74 32.708 9.989 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.034 10.554 -3.862 1.00 0.00 H new ATOM 616 N CYS A 75 30.081 13.686 1.165 1.00 0.00 N ATOM 617 CA CYS A 75 29.024 14.574 1.724 1.00 0.00 C ATOM 618 C CYS A 75 29.552 15.263 2.985 1.00 0.00 C ATOM 619 O CYS A 75 30.197 14.651 3.813 1.00 0.00 O ATOM 620 CB CYS A 75 27.791 13.740 2.076 1.00 0.00 C ATOM 621 SG CYS A 75 28.181 12.639 3.458 1.00 0.00 S ATOM 0 H CYS A 75 30.580 13.119 1.851 1.00 0.00 H new ATOM 0 HA CYS A 75 28.753 15.328 0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 75 26.960 14.394 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.474 13.157 1.211 1.00 0.00 H new ATOM 0 HG CYS A 75 27.799 13.189 4.572 1.00 0.00 H new ATOM 627 N ALA A 76 29.282 16.531 3.137 1.00 0.00 N ATOM 628 CA ALA A 76 29.768 17.256 4.344 1.00 0.00 C ATOM 629 C ALA A 76 28.589 17.545 5.275 1.00 0.00 C ATOM 630 O ALA A 76 27.450 17.584 4.854 1.00 0.00 O ATOM 631 CB ALA A 76 30.418 18.575 3.919 1.00 0.00 C ATOM 0 H ALA A 76 28.746 17.095 2.478 1.00 0.00 H new ATOM 0 HA ALA A 76 30.501 16.641 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.774 19.106 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.258 18.369 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.685 19.190 3.396 1.00 0.00 H new ATOM 637 N PHE A 77 28.852 17.747 6.536 1.00 0.00 N ATOM 638 CA PHE A 77 27.744 18.032 7.490 1.00 0.00 C ATOM 639 C PHE A 77 28.007 19.363 8.199 1.00 0.00 C ATOM 640 O PHE A 77 29.088 19.607 8.699 1.00 0.00 O ATOM 641 CB PHE A 77 27.663 16.909 8.527 1.00 0.00 C ATOM 642 CG PHE A 77 27.287 15.619 7.839 1.00 0.00 C ATOM 643 CD1 PHE A 77 25.938 15.283 7.670 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.287 14.759 7.369 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.590 14.086 7.032 1.00 0.00 C ATOM 646 CE2 PHE A 77 27.939 13.563 6.731 1.00 0.00 C ATOM 647 CZ PHE A 77 26.590 13.226 6.562 1.00 0.00 C ATOM 0 H PHE A 77 29.785 17.727 6.947 1.00 0.00 H new ATOM 0 HA PHE A 77 26.802 18.093 6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.621 16.798 9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 77 26.925 17.156 9.290 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.166 15.947 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.327 15.019 7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.550 13.826 6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 77 28.711 12.900 6.369 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.321 12.303 6.069 1.00 0.00 H new ATOM 657 N VAL A 78 27.030 20.227 8.243 1.00 0.00 N ATOM 658 CA VAL A 78 27.231 21.540 8.920 1.00 0.00 C ATOM 659 C VAL A 78 26.227 21.689 10.065 1.00 0.00 C ATOM 660 O VAL A 78 25.054 21.409 9.914 1.00 0.00 O ATOM 661 CB VAL A 78 27.022 22.669 7.908 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.316 24.014 8.576 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.967 22.472 6.720 1.00 0.00 C ATOM 0 H VAL A 78 26.104 20.082 7.841 1.00 0.00 H new ATOM 0 HA VAL A 78 28.243 21.590 9.321 1.00 0.00 H new ATOM 0 HB VAL A 78 25.990 22.655 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.167 24.818 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.643 24.155 9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.348 24.028 8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.818 23.276 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 78 28.999 22.485 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.758 21.514 6.243 1.00 0.00 H new ATOM 673 N THR A 79 26.677 22.129 11.210 1.00 0.00 N ATOM 674 CA THR A 79 25.747 22.297 12.363 1.00 0.00 C ATOM 675 C THR A 79 25.422 23.781 12.544 1.00 0.00 C ATOM 676 O THR A 79 26.302 24.617 12.600 1.00 0.00 O ATOM 677 CB THR A 79 26.410 21.762 13.635 1.00 0.00 C ATOM 678 OG1 THR A 79 26.994 20.495 13.365 1.00 0.00 O ATOM 679 CG2 THR A 79 25.359 21.617 14.738 1.00 0.00 C ATOM 0 H THR A 79 27.648 22.379 11.396 1.00 0.00 H new ATOM 0 HA THR A 79 24.827 21.744 12.172 1.00 0.00 H new ATOM 0 HB THR A 79 27.183 22.457 13.962 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.853 20.621 12.910 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.832 21.236 15.643 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.911 22.589 14.944 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.584 20.922 14.413 1.00 0.00 H new ATOM 687 N TYR A 80 24.163 24.117 12.634 1.00 0.00 N ATOM 688 CA TYR A 80 23.785 25.549 12.809 1.00 0.00 C ATOM 689 C TYR A 80 23.187 25.754 14.203 1.00 0.00 C ATOM 690 O TYR A 80 22.395 24.961 14.672 1.00 0.00 O ATOM 691 CB TYR A 80 22.750 25.937 11.751 1.00 0.00 C ATOM 692 CG TYR A 80 23.440 26.610 10.588 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.443 27.558 10.820 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.077 26.282 9.276 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.082 28.180 9.741 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.715 26.904 8.197 1.00 0.00 C ATOM 697 CZ TYR A 80 24.718 27.852 8.429 1.00 0.00 C ATOM 698 OH TYR A 80 25.348 28.465 7.365 1.00 0.00 O ATOM 0 H TYR A 80 23.381 23.463 12.594 1.00 0.00 H new ATOM 0 HA TYR A 80 24.672 26.173 12.698 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.217 25.050 11.407 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.007 26.607 12.183 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.724 27.810 11.832 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.304 25.549 9.097 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.855 28.912 9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.433 26.652 7.185 1.00 0.00 H new ATOM 0 HH TYR A 80 25.911 29.196 7.695 1.00 0.00 H new ATOM 708 N GLU A 81 23.559 26.813 14.868 1.00 0.00 N ATOM 709 CA GLU A 81 23.011 27.068 16.231 1.00 0.00 C ATOM 710 C GLU A 81 21.484 27.139 16.162 1.00 0.00 C ATOM 711 O GLU A 81 20.796 26.848 17.120 1.00 0.00 O ATOM 712 CB GLU A 81 23.559 28.395 16.760 1.00 0.00 C ATOM 713 CG GLU A 81 23.159 28.564 18.227 1.00 0.00 C ATOM 714 CD GLU A 81 23.632 29.929 18.730 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.199 30.666 17.940 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.417 30.215 19.897 1.00 0.00 O ATOM 0 H GLU A 81 24.218 27.513 14.527 1.00 0.00 H new ATOM 0 HA GLU A 81 23.307 26.259 16.899 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.644 28.417 16.663 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.170 29.223 16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.077 28.481 18.332 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.600 27.770 18.829 1.00 0.00 H new ATOM 723 N LYS A 82 20.947 27.525 15.037 1.00 0.00 N ATOM 724 CA LYS A 82 19.465 27.614 14.912 1.00 0.00 C ATOM 725 C LYS A 82 19.022 26.935 13.614 1.00 0.00 C ATOM 726 O LYS A 82 19.717 26.962 12.619 1.00 0.00 O ATOM 727 CB LYS A 82 19.042 29.084 14.887 1.00 0.00 C ATOM 728 CG LYS A 82 19.355 29.729 16.238 1.00 0.00 C ATOM 729 CD LYS A 82 18.855 31.175 16.241 1.00 0.00 C ATOM 730 CE LYS A 82 19.223 31.839 17.568 1.00 0.00 C ATOM 731 NZ LYS A 82 20.360 32.780 17.357 1.00 0.00 N ATOM 0 H LYS A 82 21.470 27.782 14.200 1.00 0.00 H new ATOM 0 HA LYS A 82 18.998 27.116 15.762 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.567 29.611 14.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.976 29.163 14.673 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.878 29.166 17.041 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.429 29.704 16.425 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.298 31.726 15.411 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.775 31.198 16.098 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.363 32.376 17.969 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.496 31.081 18.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.609 33.231 18.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.181 32.256 16.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.083 33.510 16.670 1.00 0.00 H new ATOM 745 N MET A 83 17.867 26.327 13.617 1.00 0.00 N ATOM 746 CA MET A 83 17.381 25.648 12.384 1.00 0.00 C ATOM 747 C MET A 83 17.146 26.691 11.289 1.00 0.00 C ATOM 748 O MET A 83 17.105 26.376 10.117 1.00 0.00 O ATOM 749 CB MET A 83 16.070 24.919 12.686 1.00 0.00 C ATOM 750 CG MET A 83 16.323 23.821 13.721 1.00 0.00 C ATOM 751 SD MET A 83 14.868 22.751 13.836 1.00 0.00 S ATOM 752 CE MET A 83 15.145 22.170 15.527 1.00 0.00 C ATOM 0 H MET A 83 17.240 26.272 14.420 1.00 0.00 H new ATOM 0 HA MET A 83 18.126 24.928 12.046 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.328 25.624 13.062 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.664 24.485 11.772 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.197 23.235 13.438 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.538 24.265 14.693 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.348 21.483 15.811 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.104 21.656 15.582 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.150 23.021 16.208 1.00 0.00 H new ATOM 762 N GLU A 84 16.991 27.932 11.664 1.00 0.00 N ATOM 763 CA GLU A 84 16.759 28.994 10.645 1.00 0.00 C ATOM 764 C GLU A 84 18.027 29.185 9.811 1.00 0.00 C ATOM 765 O GLU A 84 17.968 29.420 8.620 1.00 0.00 O ATOM 766 CB GLU A 84 16.409 30.307 11.349 1.00 0.00 C ATOM 767 CG GLU A 84 15.050 30.171 12.038 1.00 0.00 C ATOM 768 CD GLU A 84 14.682 31.495 12.709 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.518 32.383 12.721 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.568 31.600 13.197 1.00 0.00 O ATOM 0 H GLU A 84 17.015 28.256 12.631 1.00 0.00 H new ATOM 0 HA GLU A 84 15.936 28.700 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.177 30.555 12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.382 31.123 10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.287 29.896 11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.085 29.373 12.780 1.00 0.00 H new ATOM 777 N SER A 85 19.174 29.085 10.426 1.00 0.00 N ATOM 778 CA SER A 85 20.444 29.260 9.667 1.00 0.00 C ATOM 779 C SER A 85 20.542 28.185 8.583 1.00 0.00 C ATOM 780 O SER A 85 21.066 28.418 7.512 1.00 0.00 O ATOM 781 CB SER A 85 21.632 29.129 10.624 1.00 0.00 C ATOM 782 OG SER A 85 21.462 30.021 11.716 1.00 0.00 O ATOM 0 H SER A 85 19.286 28.890 11.421 1.00 0.00 H new ATOM 0 HA SER A 85 20.458 30.246 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.709 28.104 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.561 29.352 10.100 1.00 0.00 H new ATOM 0 HG SER A 85 22.222 29.936 12.329 1.00 0.00 H new ATOM 788 N ALA A 86 20.044 27.010 8.853 1.00 0.00 N ATOM 789 CA ALA A 86 20.110 25.922 7.836 1.00 0.00 C ATOM 790 C ALA A 86 19.054 26.169 6.757 1.00 0.00 C ATOM 791 O ALA A 86 19.229 25.809 5.609 1.00 0.00 O ATOM 792 CB ALA A 86 19.844 24.576 8.512 1.00 0.00 C ATOM 0 H ALA A 86 19.595 26.756 9.733 1.00 0.00 H new ATOM 0 HA ALA A 86 21.100 25.910 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.892 23.780 7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.596 24.400 9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.854 24.587 8.968 1.00 0.00 H new ATOM 798 N ASP A 87 17.959 26.782 7.114 1.00 0.00 N ATOM 799 CA ASP A 87 16.894 27.053 6.109 1.00 0.00 C ATOM 800 C ASP A 87 17.432 28.005 5.039 1.00 0.00 C ATOM 801 O ASP A 87 17.304 27.760 3.855 1.00 0.00 O ATOM 802 CB ASP A 87 15.690 27.694 6.800 1.00 0.00 C ATOM 803 CG ASP A 87 14.514 27.756 5.824 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.642 27.216 4.738 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.507 28.345 6.180 1.00 0.00 O ATOM 0 H ASP A 87 17.756 27.107 8.059 1.00 0.00 H new ATOM 0 HA ASP A 87 16.589 26.116 5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.414 27.117 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.945 28.697 7.142 1.00 0.00 H new ATOM 810 N GLN A 88 18.034 29.089 5.445 1.00 0.00 N ATOM 811 CA GLN A 88 18.579 30.055 4.450 1.00 0.00 C ATOM 812 C GLN A 88 19.740 29.406 3.692 1.00 0.00 C ATOM 813 O GLN A 88 19.899 29.595 2.503 1.00 0.00 O ATOM 814 CB GLN A 88 19.080 31.305 5.176 1.00 0.00 C ATOM 815 CG GLN A 88 19.431 32.383 4.149 1.00 0.00 C ATOM 816 CD GLN A 88 20.001 33.608 4.868 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.985 33.677 6.081 1.00 0.00 O ATOM 818 NE2 GLN A 88 20.505 34.586 4.166 1.00 0.00 N ATOM 0 H GLN A 88 18.172 29.347 6.422 1.00 0.00 H new ATOM 0 HA GLN A 88 17.795 30.333 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.315 31.673 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.955 31.063 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 88 20.158 31.997 3.435 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.543 32.662 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.519 34.529 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.885 35.408 4.636 1.00 0.00 H new ATOM 827 N ALA A 89 20.552 28.645 4.372 1.00 0.00 N ATOM 828 CA ALA A 89 21.701 27.986 3.690 1.00 0.00 C ATOM 829 C ALA A 89 21.193 26.825 2.834 1.00 0.00 C ATOM 830 O ALA A 89 21.529 26.701 1.674 1.00 0.00 O ATOM 831 CB ALA A 89 22.680 27.454 4.740 1.00 0.00 C ATOM 0 H ALA A 89 20.470 28.451 5.370 1.00 0.00 H new ATOM 0 HA ALA A 89 22.207 28.711 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.521 26.972 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.045 28.281 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.172 26.730 5.377 1.00 0.00 H new ATOM 837 N VAL A 90 20.384 25.970 3.399 1.00 0.00 N ATOM 838 CA VAL A 90 19.857 24.815 2.619 1.00 0.00 C ATOM 839 C VAL A 90 18.999 25.327 1.459 1.00 0.00 C ATOM 840 O VAL A 90 19.003 24.771 0.380 1.00 0.00 O ATOM 841 CB VAL A 90 19.004 23.931 3.531 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.333 22.836 2.700 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.895 23.289 4.596 1.00 0.00 C ATOM 0 H VAL A 90 20.066 26.022 4.367 1.00 0.00 H new ATOM 0 HA VAL A 90 20.691 24.235 2.224 1.00 0.00 H new ATOM 0 HB VAL A 90 18.239 24.539 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.725 22.207 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.698 23.293 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.097 22.227 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.288 22.659 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.660 22.681 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.373 24.069 5.189 1.00 0.00 H new ATOM 853 N ALA A 91 18.260 26.380 1.674 1.00 0.00 N ATOM 854 CA ALA A 91 17.399 26.922 0.583 1.00 0.00 C ATOM 855 C ALA A 91 18.246 27.767 -0.372 1.00 0.00 C ATOM 856 O ALA A 91 18.043 27.757 -1.570 1.00 0.00 O ATOM 857 CB ALA A 91 16.296 27.791 1.188 1.00 0.00 C ATOM 0 H ALA A 91 18.214 26.889 2.557 1.00 0.00 H new ATOM 0 HA ALA A 91 16.952 26.094 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.667 28.187 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.689 27.190 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.745 28.617 1.740 1.00 0.00 H new ATOM 863 N GLU A 92 19.188 28.505 0.147 1.00 0.00 N ATOM 864 CA GLU A 92 20.040 29.355 -0.733 1.00 0.00 C ATOM 865 C GLU A 92 21.181 28.518 -1.315 1.00 0.00 C ATOM 866 O GLU A 92 21.438 28.543 -2.503 1.00 0.00 O ATOM 867 CB GLU A 92 20.621 30.511 0.083 1.00 0.00 C ATOM 868 CG GLU A 92 20.972 31.669 -0.850 1.00 0.00 C ATOM 869 CD GLU A 92 21.702 32.757 -0.060 1.00 0.00 C ATOM 870 OE1 GLU A 92 21.341 32.971 1.086 1.00 0.00 O ATOM 871 OE2 GLU A 92 22.608 33.356 -0.614 1.00 0.00 O ATOM 0 H GLU A 92 19.405 28.557 1.142 1.00 0.00 H new ATOM 0 HA GLU A 92 19.433 29.751 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 92 19.900 30.839 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.510 30.180 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.600 31.314 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 92 20.066 32.076 -1.299 1.00 0.00 H new ATOM 878 N LEU A 93 21.873 27.781 -0.489 1.00 0.00 N ATOM 879 CA LEU A 93 22.999 26.950 -1.000 1.00 0.00 C ATOM 880 C LEU A 93 22.460 25.883 -1.955 1.00 0.00 C ATOM 881 O LEU A 93 23.051 25.595 -2.976 1.00 0.00 O ATOM 882 CB LEU A 93 23.708 26.273 0.176 1.00 0.00 C ATOM 883 CG LEU A 93 24.192 27.339 1.161 1.00 0.00 C ATOM 884 CD1 LEU A 93 25.100 26.691 2.208 1.00 0.00 C ATOM 885 CD2 LEU A 93 24.973 28.416 0.405 1.00 0.00 C ATOM 0 H LEU A 93 21.707 27.719 0.516 1.00 0.00 H new ATOM 0 HA LEU A 93 23.705 27.587 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.029 25.583 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.552 25.685 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 93 23.333 27.793 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.445 27.450 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 93 24.544 25.924 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.959 26.237 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.318 29.175 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.832 27.963 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.326 28.878 -0.341 1.00 0.00 H new ATOM 897 N ASN A 94 21.343 25.291 -1.631 1.00 0.00 N ATOM 898 CA ASN A 94 20.771 24.244 -2.523 1.00 0.00 C ATOM 899 C ASN A 94 20.402 24.864 -3.872 1.00 0.00 C ATOM 900 O ASN A 94 19.654 25.818 -3.943 1.00 0.00 O ATOM 901 CB ASN A 94 19.518 23.650 -1.877 1.00 0.00 C ATOM 902 CG ASN A 94 18.966 22.534 -2.768 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.543 22.214 -3.787 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.865 21.926 -2.422 1.00 0.00 N ATOM 0 H ASN A 94 20.803 25.487 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 94 21.510 23.457 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.757 23.257 -0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.765 24.425 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.488 21.181 -3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.381 22.196 -1.566 1.00 0.00 H new ATOM 911 N GLY A 95 20.923 24.329 -4.943 1.00 0.00 N ATOM 912 CA GLY A 95 20.601 24.888 -6.286 1.00 0.00 C ATOM 913 C GLY A 95 21.648 25.938 -6.667 1.00 0.00 C ATOM 914 O GLY A 95 21.367 26.877 -7.384 1.00 0.00 O ATOM 0 H GLY A 95 21.557 23.530 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.583 24.090 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.608 25.337 -6.276 1.00 0.00 H new ATOM 918 N THR A 96 22.854 25.785 -6.192 1.00 0.00 N ATOM 919 CA THR A 96 23.916 26.774 -6.529 1.00 0.00 C ATOM 920 C THR A 96 25.079 26.059 -7.221 1.00 0.00 C ATOM 921 O THR A 96 25.251 24.863 -7.089 1.00 0.00 O ATOM 922 CB THR A 96 24.419 27.439 -5.245 1.00 0.00 C ATOM 923 OG1 THR A 96 25.186 26.506 -4.498 1.00 0.00 O ATOM 924 CG2 THR A 96 23.226 27.907 -4.410 1.00 0.00 C ATOM 0 H THR A 96 23.149 25.019 -5.586 1.00 0.00 H new ATOM 0 HA THR A 96 23.507 27.533 -7.196 1.00 0.00 H new ATOM 0 HB THR A 96 25.040 28.297 -5.500 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.608 26.053 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.585 28.380 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.639 28.624 -4.984 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.602 27.050 -4.154 1.00 0.00 H new ATOM 932 N GLN A 97 25.878 26.780 -7.958 1.00 0.00 N ATOM 933 CA GLN A 97 27.028 26.140 -8.657 1.00 0.00 C ATOM 934 C GLN A 97 28.329 26.819 -8.227 1.00 0.00 C ATOM 935 O GLN A 97 28.356 27.995 -7.921 1.00 0.00 O ATOM 936 CB GLN A 97 26.852 26.288 -10.170 1.00 0.00 C ATOM 937 CG GLN A 97 27.972 25.535 -10.891 1.00 0.00 C ATOM 938 CD GLN A 97 27.800 25.689 -12.403 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.804 26.212 -12.862 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.734 25.251 -13.201 1.00 0.00 N ATOM 0 H GLN A 97 25.784 27.785 -8.107 1.00 0.00 H new ATOM 0 HA GLN A 97 27.067 25.082 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.882 25.896 -10.474 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.871 27.342 -10.448 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.943 25.924 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.950 24.480 -10.617 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.570 24.812 -12.815 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.629 25.347 -14.211 1.00 0.00 H new ATOM 949 N VAL A 98 29.410 26.088 -8.201 1.00 0.00 N ATOM 950 CA VAL A 98 30.709 26.693 -7.791 1.00 0.00 C ATOM 951 C VAL A 98 31.534 27.017 -9.038 1.00 0.00 C ATOM 952 O VAL A 98 30.998 27.326 -10.084 1.00 0.00 O ATOM 953 CB VAL A 98 31.481 25.707 -6.909 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.367 26.482 -5.932 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.495 24.839 -6.122 1.00 0.00 C ATOM 0 H VAL A 98 29.450 25.099 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 98 30.521 27.608 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 98 32.102 25.070 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 98 32.916 25.781 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.072 27.098 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.745 27.120 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.047 24.138 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.872 25.475 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.863 24.285 -6.816 1.00 0.00 H new ATOM 965 N GLU A 99 32.834 26.950 -8.937 1.00 0.00 N ATOM 966 CA GLU A 99 33.688 27.255 -10.120 1.00 0.00 C ATOM 967 C GLU A 99 33.375 26.264 -11.244 1.00 0.00 C ATOM 968 O GLU A 99 33.309 26.626 -12.401 1.00 0.00 O ATOM 969 CB GLU A 99 35.162 27.135 -9.728 1.00 0.00 C ATOM 970 CG GLU A 99 35.504 28.211 -8.695 1.00 0.00 C ATOM 971 CD GLU A 99 37.000 28.152 -8.376 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.645 27.220 -8.824 1.00 0.00 O ATOM 973 OE2 GLU A 99 37.473 29.041 -7.688 1.00 0.00 O ATOM 0 H GLU A 99 33.340 26.698 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 99 33.485 28.269 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.361 26.145 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.794 27.247 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 99 35.241 29.197 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.921 28.057 -7.787 1.00 0.00 H new ATOM 980 N SER A 100 33.185 25.017 -10.911 1.00 0.00 N ATOM 981 CA SER A 100 32.878 24.005 -11.962 1.00 0.00 C ATOM 982 C SER A 100 32.209 22.788 -11.319 1.00 0.00 C ATOM 983 O SER A 100 32.365 21.671 -11.771 1.00 0.00 O ATOM 984 CB SER A 100 34.175 23.572 -12.647 1.00 0.00 C ATOM 985 OG SER A 100 33.874 22.687 -13.716 1.00 0.00 O ATOM 0 H SER A 100 33.229 24.655 -9.958 1.00 0.00 H new ATOM 0 HA SER A 100 32.205 24.441 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.709 24.445 -13.023 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.832 23.081 -11.929 1.00 0.00 H new ATOM 0 HG SER A 100 33.210 22.030 -13.420 1.00 0.00 H new ATOM 991 N VAL A 101 31.465 22.996 -10.267 1.00 0.00 N ATOM 992 CA VAL A 101 30.787 21.850 -9.596 1.00 0.00 C ATOM 993 C VAL A 101 29.470 22.329 -8.981 1.00 0.00 C ATOM 994 O VAL A 101 29.308 23.490 -8.662 1.00 0.00 O ATOM 995 CB VAL A 101 31.692 21.295 -8.495 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.022 20.078 -7.853 1.00 0.00 C ATOM 997 CG2 VAL A 101 33.035 20.879 -9.098 1.00 0.00 C ATOM 0 H VAL A 101 31.297 23.909 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 101 30.585 21.067 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 101 31.857 22.062 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.665 19.681 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 101 30.065 20.374 -7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.858 19.311 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 101 33.679 20.484 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.872 20.111 -9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.512 21.745 -9.557 1.00 0.00 H new ATOM 1007 N GLN A 102 28.529 21.441 -8.809 1.00 0.00 N ATOM 1008 CA GLN A 102 27.225 21.844 -8.212 1.00 0.00 C ATOM 1009 C GLN A 102 27.193 21.439 -6.737 1.00 0.00 C ATOM 1010 O GLN A 102 27.633 20.368 -6.368 1.00 0.00 O ATOM 1011 CB GLN A 102 26.086 21.145 -8.958 1.00 0.00 C ATOM 1012 CG GLN A 102 26.130 21.534 -10.437 1.00 0.00 C ATOM 1013 CD GLN A 102 25.068 20.744 -11.204 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.548 19.764 -10.709 1.00 0.00 O ATOM 1015 NE2 GLN A 102 24.722 21.131 -12.401 1.00 0.00 N ATOM 0 H GLN A 102 28.607 20.454 -9.056 1.00 0.00 H new ATOM 0 HA GLN A 102 27.105 22.924 -8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.178 20.064 -8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 102 25.126 21.427 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.953 22.604 -10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 102 27.118 21.330 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.158 21.954 -12.817 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.015 20.611 -12.921 1.00 0.00 H new ATOM 1024 N LEU A 103 26.677 22.286 -5.888 1.00 0.00 N ATOM 1025 CA LEU A 103 26.620 21.946 -4.439 1.00 0.00 C ATOM 1026 C LEU A 103 25.178 21.617 -4.046 1.00 0.00 C ATOM 1027 O LEU A 103 24.248 22.292 -4.439 1.00 0.00 O ATOM 1028 CB LEU A 103 27.109 23.138 -3.613 1.00 0.00 C ATOM 1029 CG LEU A 103 28.569 23.436 -3.956 1.00 0.00 C ATOM 1030 CD1 LEU A 103 29.007 24.718 -3.243 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.451 22.272 -3.500 1.00 0.00 C ATOM 0 H LEU A 103 26.293 23.198 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 103 27.257 21.083 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.491 24.013 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 103 27.012 22.920 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 103 28.670 23.565 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 103 30.048 24.932 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 103 28.380 25.548 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.906 24.588 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.491 22.486 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.352 22.141 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 103 29.139 21.359 -4.007 1.00 0.00 H new ATOM 1043 N LYS A 104 24.988 20.587 -3.269 1.00 0.00 N ATOM 1044 CA LYS A 104 23.608 20.218 -2.846 1.00 0.00 C ATOM 1045 C LYS A 104 23.507 20.302 -1.322 1.00 0.00 C ATOM 1046 O LYS A 104 24.446 20.001 -0.612 1.00 0.00 O ATOM 1047 CB LYS A 104 23.296 18.791 -3.302 1.00 0.00 C ATOM 1048 CG LYS A 104 23.343 18.723 -4.830 1.00 0.00 C ATOM 1049 CD LYS A 104 22.926 17.325 -5.290 1.00 0.00 C ATOM 1050 CE LYS A 104 23.070 17.225 -6.811 1.00 0.00 C ATOM 1051 NZ LYS A 104 24.341 16.521 -7.143 1.00 0.00 N ATOM 0 H LYS A 104 25.728 19.985 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 104 22.892 20.905 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 104 24.017 18.095 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.311 18.490 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.678 19.472 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.349 18.949 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 104 23.546 16.571 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.895 17.127 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 104 22.222 16.686 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.067 18.221 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 24.440 16.452 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 25.145 17.053 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 24.326 15.566 -6.732 1.00 0.00 H new ATOM 1065 N VAL A 105 22.379 20.713 -0.813 1.00 0.00 N ATOM 1066 CA VAL A 105 22.225 20.818 0.666 1.00 0.00 C ATOM 1067 C VAL A 105 20.950 20.096 1.103 1.00 0.00 C ATOM 1068 O VAL A 105 19.987 20.014 0.368 1.00 0.00 O ATOM 1069 CB VAL A 105 22.140 22.292 1.066 1.00 0.00 C ATOM 1070 CG1 VAL A 105 22.223 22.412 2.589 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.300 23.061 0.430 1.00 0.00 C ATOM 0 H VAL A 105 21.558 20.981 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 105 23.085 20.358 1.153 1.00 0.00 H new ATOM 0 HB VAL A 105 21.194 22.709 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 105 22.163 23.462 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.397 21.864 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 105 23.169 21.995 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.240 24.111 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.246 22.645 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.242 22.975 -0.655 1.00 0.00 H new