USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.318 (180deg=0.066) USER MOD Single : A 42 HIS : no HE2:sc= -16.5! C(o=-17!,f=-23!) USER MOD Single : A 45 CYS SG : rot -53:sc= -5.91! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : +bothHN:sc= -9.1! C(o=-9.1!,f=-16!) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.0157 (180deg=-0.0416) USER MOD Single : A 52 MET CE :methyl 143:sc= -14.3! (180deg=-22.1!) USER MOD Single : A 55 MET CE :methyl -149:sc= -7.4! (180deg=-10.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 79:sc= 0.364 USER MOD Single : A 62 MET CE :methyl -135:sc= -3.6! (180deg=-4.29!) USER MOD Single : A 65 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.9!) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.26! C(o=-5!,f=-2.3!) USER MOD Single : A 72 SER OG : rot -104:sc= 1.38 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -109:sc= -1.85 (180deg=-5.24!) USER MOD Single : A 95 GLN : amide:sc= -11.8! C(o=-12!,f=-17!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.767! USER MOD Single : A 106 MET CE :methyl -177:sc= -11! (180deg=-11.2!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.315 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 172:sc= -3.66! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -21.9! C(o=-22!,f=-24!) USER MOD Single : A 126 MET CE :methyl 163:sc= -2.71! (180deg=-3.79!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 83.803 -16.085 -0.622 1.00 0.00 N ATOM 86 CA ASN A 36 84.164 -15.828 0.802 1.00 0.00 C ATOM 87 C ASN A 36 84.769 -14.430 0.953 1.00 0.00 C ATOM 88 O ASN A 36 85.025 -13.972 2.046 1.00 0.00 O ATOM 89 CB ASN A 36 85.197 -16.901 1.149 1.00 0.00 C ATOM 90 CG ASN A 36 84.632 -17.821 2.234 1.00 0.00 C ATOM 91 OD1 ASN A 36 84.516 -19.014 2.034 1.00 0.00 O ATOM 92 ND2 ASN A 36 84.272 -17.313 3.381 1.00 0.00 N ATOM 0 HA ASN A 36 83.297 -15.869 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.448 -17.480 0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 36 86.119 -16.435 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 36 83.893 -17.917 4.110 1.00 0.00 H new ATOM 0 HD22 ASN A 36 84.370 -16.312 3.548 1.00 0.00 H new ATOM 99 N ALA A 37 84.985 -13.744 -0.137 1.00 0.00 N ATOM 100 CA ALA A 37 85.559 -12.370 -0.061 1.00 0.00 C ATOM 101 C ALA A 37 84.849 -11.494 -1.087 1.00 0.00 C ATOM 102 O ALA A 37 84.393 -11.983 -2.088 1.00 0.00 O ATOM 103 CB ALA A 37 87.041 -12.527 -0.406 1.00 0.00 C ATOM 0 H ALA A 37 84.788 -14.078 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 37 85.437 -11.906 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.528 -11.553 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.513 -13.196 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.139 -12.944 -1.408 1.00 0.00 H new ATOM 109 N VAL A 38 84.729 -10.221 -0.831 1.00 0.00 N ATOM 110 CA VAL A 38 84.012 -9.308 -1.780 1.00 0.00 C ATOM 111 C VAL A 38 84.656 -7.925 -1.741 1.00 0.00 C ATOM 112 O VAL A 38 85.216 -7.544 -0.731 1.00 0.00 O ATOM 113 CB VAL A 38 82.577 -9.238 -1.256 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.878 -10.580 -1.478 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.597 -8.914 0.239 1.00 0.00 C ATOM 0 H VAL A 38 85.099 -9.765 0.003 1.00 0.00 H new ATOM 0 HA VAL A 38 84.051 -9.661 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 38 82.035 -8.459 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.856 -10.524 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.861 -10.810 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.418 -11.364 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.575 -8.864 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.142 -9.693 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.089 -7.954 0.397 1.00 0.00 H new ATOM 125 N LYS A 39 84.618 -7.150 -2.805 1.00 0.00 N ATOM 126 CA LYS A 39 85.274 -5.833 -2.703 1.00 0.00 C ATOM 127 C LYS A 39 84.273 -4.817 -2.161 1.00 0.00 C ATOM 128 O LYS A 39 83.399 -4.343 -2.856 1.00 0.00 O ATOM 129 CB LYS A 39 85.667 -5.493 -4.130 1.00 0.00 C ATOM 130 CG LYS A 39 86.932 -4.635 -4.131 1.00 0.00 C ATOM 131 CD LYS A 39 87.986 -5.309 -3.258 1.00 0.00 C ATOM 132 CE LYS A 39 89.343 -5.266 -3.963 1.00 0.00 C ATOM 133 NZ LYS A 39 89.281 -6.355 -4.978 1.00 0.00 N ATOM 0 H LYS A 39 84.177 -7.372 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 39 86.135 -5.830 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.837 -6.408 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.855 -4.959 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.305 -4.515 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.711 -3.637 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 39 88.050 -4.805 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.701 -6.342 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.514 -4.297 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.159 -5.428 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.747 -6.041 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 89.766 -7.199 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.287 -6.586 -5.179 1.00 0.00 H new ATOM 147 N VAL A 40 84.382 -4.519 -0.894 1.00 0.00 N ATOM 148 CA VAL A 40 83.424 -3.579 -0.257 1.00 0.00 C ATOM 149 C VAL A 40 84.017 -2.178 -0.075 1.00 0.00 C ATOM 150 O VAL A 40 85.201 -2.002 0.129 1.00 0.00 O ATOM 151 CB VAL A 40 83.137 -4.204 1.106 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.410 -5.537 0.914 1.00 0.00 C ATOM 153 CG2 VAL A 40 84.456 -4.443 1.845 1.00 0.00 C ATOM 0 H VAL A 40 85.100 -4.891 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 40 82.534 -3.444 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 40 82.510 -3.530 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.205 -5.983 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 40 81.471 -5.367 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 40 83.036 -6.212 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 40 84.252 -4.889 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 40 85.083 -5.117 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 40 84.973 -3.493 1.982 1.00 0.00 H new ATOM 163 N ARG A 41 83.170 -1.189 -0.118 1.00 0.00 N ATOM 164 CA ARG A 41 83.610 0.221 0.082 1.00 0.00 C ATOM 165 C ARG A 41 82.583 0.894 0.996 1.00 0.00 C ATOM 166 O ARG A 41 81.432 0.508 1.009 1.00 0.00 O ATOM 167 CB ARG A 41 83.611 0.846 -1.314 1.00 0.00 C ATOM 168 CG ARG A 41 84.462 -0.011 -2.254 1.00 0.00 C ATOM 169 CD ARG A 41 84.724 0.758 -3.551 1.00 0.00 C ATOM 170 NE ARG A 41 85.076 -0.291 -4.551 1.00 0.00 N ATOM 171 CZ ARG A 41 84.966 -0.040 -5.827 1.00 0.00 C ATOM 172 NH1 ARG A 41 84.914 1.194 -6.248 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.909 -1.025 -6.683 1.00 0.00 N ATOM 0 H ARG A 41 82.170 -1.300 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 41 84.594 0.321 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.592 0.918 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.007 1.860 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.406 -0.268 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.950 -0.948 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.844 1.321 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.535 1.476 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 41 85.403 -1.205 -4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.959 1.963 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 41 84.828 1.389 -7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 41 84.950 -1.990 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 41 84.823 -0.830 -7.680 1.00 0.00 H new ATOM 187 N HIS A 42 82.962 1.859 1.791 1.00 0.00 N ATOM 188 CA HIS A 42 81.939 2.458 2.703 1.00 0.00 C ATOM 189 C HIS A 42 81.989 3.991 2.743 1.00 0.00 C ATOM 190 O HIS A 42 83.028 4.609 2.625 1.00 0.00 O ATOM 191 CB HIS A 42 82.248 1.903 4.103 1.00 0.00 C ATOM 192 CG HIS A 42 82.963 0.579 4.012 1.00 0.00 C ATOM 193 ND1 HIS A 42 82.376 -0.544 3.449 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.218 0.189 4.406 1.00 0.00 C ATOM 195 CE1 HIS A 42 83.272 -1.546 3.519 1.00 0.00 C ATOM 196 NE2 HIS A 42 84.411 -1.153 4.094 1.00 0.00 N ATOM 0 H HIS A 42 83.902 2.250 1.851 1.00 0.00 H new ATOM 0 HA HIS A 42 80.941 2.200 2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.863 2.615 4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 42 81.321 1.782 4.663 1.00 0.00 H new ATOM 0 HD1 HIS A 42 81.437 -0.600 3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.946 0.827 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 42 83.091 -2.546 3.154 1.00 0.00 H new ATOM 204 N ILE A 43 80.844 4.583 2.957 1.00 0.00 N ATOM 205 CA ILE A 43 80.726 6.068 3.072 1.00 0.00 C ATOM 206 C ILE A 43 79.592 6.360 4.070 1.00 0.00 C ATOM 207 O ILE A 43 78.489 5.878 3.913 1.00 0.00 O ATOM 208 CB ILE A 43 80.398 6.570 1.647 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.597 7.346 1.097 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.178 7.500 1.651 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.561 7.317 -0.433 1.00 0.00 C ATOM 0 H ILE A 43 79.960 4.085 3.060 1.00 0.00 H new ATOM 0 HA ILE A 43 81.626 6.564 3.434 1.00 0.00 H new ATOM 0 HB ILE A 43 80.178 5.702 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.572 8.376 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.526 6.906 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.973 7.836 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.312 6.962 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 43 79.381 8.364 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 82.414 7.869 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 43 81.606 6.284 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.637 7.777 -0.784 1.00 0.00 H new ATOM 223 N LEU A 44 79.849 7.114 5.106 1.00 0.00 N ATOM 224 CA LEU A 44 78.772 7.385 6.100 1.00 0.00 C ATOM 225 C LEU A 44 78.543 8.895 6.216 1.00 0.00 C ATOM 226 O LEU A 44 79.442 9.682 6.024 1.00 0.00 O ATOM 227 CB LEU A 44 79.312 6.779 7.411 1.00 0.00 C ATOM 228 CG LEU A 44 79.079 7.723 8.595 1.00 0.00 C ATOM 229 CD1 LEU A 44 77.578 7.942 8.795 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.670 7.111 9.865 1.00 0.00 C ATOM 0 H LEU A 44 80.749 7.550 5.305 1.00 0.00 H new ATOM 0 HA LEU A 44 77.807 6.956 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 44 78.822 5.824 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.378 6.576 7.309 1.00 0.00 H new ATOM 0 HG LEU A 44 79.563 8.678 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 44 77.418 8.614 9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 77.151 8.382 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.094 6.986 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 44 79.503 7.785 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.189 6.154 10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.741 6.957 9.731 1.00 0.00 H new ATOM 242 N CYS A 45 77.348 9.304 6.526 1.00 0.00 N ATOM 243 CA CYS A 45 77.079 10.761 6.652 1.00 0.00 C ATOM 244 C CYS A 45 76.336 11.050 7.957 1.00 0.00 C ATOM 245 O CYS A 45 75.124 11.043 8.007 1.00 0.00 O ATOM 246 CB CYS A 45 76.212 11.100 5.443 1.00 0.00 C ATOM 247 SG CYS A 45 76.987 10.425 3.953 1.00 0.00 S ATOM 0 H CYS A 45 76.548 8.695 6.697 1.00 0.00 H new ATOM 0 HA CYS A 45 77.992 11.356 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.212 10.684 5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.099 12.180 5.352 1.00 0.00 H new ATOM 0 HG CYS A 45 78.218 10.836 3.880 1.00 0.00 H new ATOM 253 N GLU A 46 77.057 11.304 9.016 1.00 0.00 N ATOM 254 CA GLU A 46 76.390 11.594 10.317 1.00 0.00 C ATOM 255 C GLU A 46 75.260 12.603 10.113 1.00 0.00 C ATOM 256 O GLU A 46 74.265 12.587 10.810 1.00 0.00 O ATOM 257 CB GLU A 46 77.487 12.186 11.202 1.00 0.00 C ATOM 258 CG GLU A 46 77.831 11.197 12.317 1.00 0.00 C ATOM 259 CD GLU A 46 77.254 11.701 13.641 1.00 0.00 C ATOM 260 OE1 GLU A 46 76.413 12.583 13.600 1.00 0.00 O ATOM 261 OE2 GLU A 46 77.663 11.196 14.673 1.00 0.00 O ATOM 0 H GLU A 46 78.077 11.323 9.036 1.00 0.00 H new ATOM 0 HA GLU A 46 75.946 10.704 10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.374 12.401 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.153 13.131 11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.426 10.213 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 46 78.912 11.085 12.398 1.00 0.00 H new ATOM 268 N LYS A 47 75.404 13.480 9.159 1.00 0.00 N ATOM 269 CA LYS A 47 74.337 14.489 8.905 1.00 0.00 C ATOM 270 C LYS A 47 73.233 13.874 8.042 1.00 0.00 C ATOM 271 O LYS A 47 72.151 14.413 7.921 1.00 0.00 O ATOM 272 CB LYS A 47 75.033 15.623 8.153 1.00 0.00 C ATOM 273 CG LYS A 47 76.261 16.084 8.942 1.00 0.00 C ATOM 274 CD LYS A 47 76.663 17.487 8.484 1.00 0.00 C ATOM 275 CE LYS A 47 78.087 17.789 8.954 1.00 0.00 C ATOM 276 NZ LYS A 47 77.962 19.022 9.781 1.00 0.00 N ATOM 0 H LYS A 47 76.215 13.542 8.543 1.00 0.00 H new ATOM 0 HA LYS A 47 73.869 14.839 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.332 15.285 7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.344 16.456 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.041 16.087 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.087 15.389 8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.605 17.557 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.971 18.225 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.495 16.962 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.757 17.946 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 78.899 19.295 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.577 19.793 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.323 18.840 10.581 1.00 0.00 H new ATOM 290 N HIS A 48 73.504 12.750 7.435 1.00 0.00 N ATOM 291 CA HIS A 48 72.478 12.097 6.573 1.00 0.00 C ATOM 292 C HIS A 48 72.019 13.063 5.479 1.00 0.00 C ATOM 293 O HIS A 48 71.004 12.861 4.842 1.00 0.00 O ATOM 294 CB HIS A 48 71.326 11.758 7.515 1.00 0.00 C ATOM 295 CG HIS A 48 71.672 10.522 8.300 1.00 0.00 C ATOM 296 ND1 HIS A 48 72.954 10.279 8.766 1.00 0.00 N ATOM 297 CD2 HIS A 48 70.916 9.450 8.705 1.00 0.00 C ATOM 298 CE1 HIS A 48 72.933 9.102 9.418 1.00 0.00 C ATOM 299 NE2 HIS A 48 71.715 8.554 9.411 1.00 0.00 N ATOM 0 H HIS A 48 74.394 12.255 7.499 1.00 0.00 H new ATOM 0 HA HIS A 48 72.862 11.210 6.070 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.137 12.591 8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.411 11.596 6.945 1.00 0.00 H new ATOM 0 HD1 HIS A 48 73.766 10.883 8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 48 69.862 9.321 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.796 8.655 9.889 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.431 7.669 9.832 1.00 0.00 H new ATOM 307 N GLY A 49 72.765 14.108 5.254 1.00 0.00 N ATOM 308 CA GLY A 49 72.384 15.089 4.200 1.00 0.00 C ATOM 309 C GLY A 49 73.251 14.851 2.962 1.00 0.00 C ATOM 310 O GLY A 49 72.795 14.961 1.842 1.00 0.00 O ATOM 0 H GLY A 49 73.625 14.326 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.329 14.980 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.521 16.107 4.566 1.00 0.00 H new ATOM 314 N LYS A 50 74.498 14.518 3.158 1.00 0.00 N ATOM 315 CA LYS A 50 75.394 14.265 1.994 1.00 0.00 C ATOM 316 C LYS A 50 75.297 12.803 1.569 1.00 0.00 C ATOM 317 O LYS A 50 75.757 12.430 0.511 1.00 0.00 O ATOM 318 CB LYS A 50 76.802 14.602 2.486 1.00 0.00 C ATOM 319 CG LYS A 50 77.165 13.684 3.651 1.00 0.00 C ATOM 320 CD LYS A 50 77.042 14.455 4.967 1.00 0.00 C ATOM 321 CE LYS A 50 78.341 14.320 5.762 1.00 0.00 C ATOM 322 NZ LYS A 50 78.759 15.722 6.048 1.00 0.00 N ATOM 0 H LYS A 50 74.935 14.410 4.073 1.00 0.00 H new ATOM 0 HA LYS A 50 75.124 14.864 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.521 14.481 1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.849 15.644 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.506 12.816 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.182 13.310 3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.834 15.506 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.205 14.070 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.185 13.758 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.102 13.789 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.473 15.724 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.163 16.146 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 77.933 16.276 6.351 1.00 0.00 H new ATOM 336 N ILE A 51 74.685 11.968 2.364 1.00 0.00 N ATOM 337 CA ILE A 51 74.559 10.545 1.950 1.00 0.00 C ATOM 338 C ILE A 51 74.013 10.511 0.528 1.00 0.00 C ATOM 339 O ILE A 51 74.436 9.723 -0.294 1.00 0.00 O ATOM 340 CB ILE A 51 73.587 9.906 2.945 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.615 8.385 2.777 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.169 10.418 2.688 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.740 7.799 3.631 1.00 0.00 C ATOM 0 H ILE A 51 74.274 12.205 3.267 1.00 0.00 H new ATOM 0 HA ILE A 51 75.506 10.006 1.955 1.00 0.00 H new ATOM 0 HB ILE A 51 73.886 10.170 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.657 7.958 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.767 8.127 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.482 9.959 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.146 11.501 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.867 10.159 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.761 6.716 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.695 8.217 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.568 8.046 4.679 1.00 0.00 H new ATOM 355 N MET A 52 73.103 11.393 0.219 1.00 0.00 N ATOM 356 CA MET A 52 72.570 11.440 -1.163 1.00 0.00 C ATOM 357 C MET A 52 73.569 12.183 -2.033 1.00 0.00 C ATOM 358 O MET A 52 73.957 11.726 -3.086 1.00 0.00 O ATOM 359 CB MET A 52 71.249 12.199 -1.071 1.00 0.00 C ATOM 360 CG MET A 52 70.141 11.356 -1.698 1.00 0.00 C ATOM 361 SD MET A 52 69.911 11.845 -3.427 1.00 0.00 S ATOM 362 CE MET A 52 71.602 11.521 -3.990 1.00 0.00 C ATOM 0 H MET A 52 72.709 12.079 0.863 1.00 0.00 H new ATOM 0 HA MET A 52 72.413 10.453 -1.597 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.012 12.416 -0.029 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.329 13.157 -1.586 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.398 10.298 -1.640 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.211 11.489 -1.145 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.577 11.118 -5.003 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.172 12.450 -3.983 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.075 10.800 -3.324 1.00 0.00 H new ATOM 372 N GLU A 53 74.038 13.297 -1.572 1.00 0.00 N ATOM 373 CA GLU A 53 75.058 14.029 -2.351 1.00 0.00 C ATOM 374 C GLU A 53 76.157 13.033 -2.666 1.00 0.00 C ATOM 375 O GLU A 53 76.809 13.096 -3.684 1.00 0.00 O ATOM 376 CB GLU A 53 75.562 15.140 -1.431 1.00 0.00 C ATOM 377 CG GLU A 53 75.670 16.443 -2.224 1.00 0.00 C ATOM 378 CD GLU A 53 76.443 17.477 -1.403 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.877 17.136 -0.314 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.588 18.592 -1.876 1.00 0.00 O ATOM 0 H GLU A 53 73.761 13.732 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 53 74.690 14.459 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.881 15.268 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.534 14.872 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.177 16.263 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.675 16.821 -2.461 1.00 0.00 H new ATOM 387 N ALA A 54 76.328 12.077 -1.795 1.00 0.00 N ATOM 388 CA ALA A 54 77.352 11.029 -2.037 1.00 0.00 C ATOM 389 C ALA A 54 76.745 9.979 -2.956 1.00 0.00 C ATOM 390 O ALA A 54 77.421 9.353 -3.750 1.00 0.00 O ATOM 391 CB ALA A 54 77.658 10.436 -0.662 1.00 0.00 C ATOM 0 H ALA A 54 75.802 11.978 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 54 78.260 11.409 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.409 9.652 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 54 78.036 11.219 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.747 10.013 -0.237 1.00 0.00 H new ATOM 397 N MET A 55 75.456 9.801 -2.861 1.00 0.00 N ATOM 398 CA MET A 55 74.777 8.805 -3.736 1.00 0.00 C ATOM 399 C MET A 55 74.607 9.388 -5.142 1.00 0.00 C ATOM 400 O MET A 55 74.663 8.684 -6.130 1.00 0.00 O ATOM 401 CB MET A 55 73.418 8.564 -3.078 1.00 0.00 C ATOM 402 CG MET A 55 73.173 7.060 -2.941 1.00 0.00 C ATOM 403 SD MET A 55 71.417 6.763 -2.615 1.00 0.00 S ATOM 404 CE MET A 55 71.541 6.593 -0.817 1.00 0.00 C ATOM 0 H MET A 55 74.845 10.302 -2.216 1.00 0.00 H new ATOM 0 HA MET A 55 75.342 7.879 -3.840 1.00 0.00 H new ATOM 0 HB2 MET A 55 73.389 9.038 -2.097 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.628 9.018 -3.676 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.477 6.547 -3.853 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.778 6.654 -2.130 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.775 5.903 -0.463 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.526 6.207 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.397 7.567 -0.349 1.00 0.00 H new ATOM 414 N GLU A 56 74.410 10.676 -5.235 1.00 0.00 N ATOM 415 CA GLU A 56 74.244 11.319 -6.568 1.00 0.00 C ATOM 416 C GLU A 56 75.602 11.450 -7.259 1.00 0.00 C ATOM 417 O GLU A 56 75.801 10.957 -8.351 1.00 0.00 O ATOM 418 CB GLU A 56 73.658 12.700 -6.271 1.00 0.00 C ATOM 419 CG GLU A 56 72.312 12.848 -6.982 1.00 0.00 C ATOM 420 CD GLU A 56 71.565 14.055 -6.412 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.181 15.100 -6.284 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.391 13.913 -6.114 1.00 0.00 O ATOM 0 H GLU A 56 74.357 11.313 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 56 73.602 10.739 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.529 12.828 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 56 74.345 13.478 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 72.467 12.975 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.718 11.944 -6.851 1.00 0.00 H new ATOM 429 N LYS A 57 76.542 12.104 -6.630 1.00 0.00 N ATOM 430 CA LYS A 57 77.885 12.250 -7.259 1.00 0.00 C ATOM 431 C LYS A 57 78.317 10.897 -7.828 1.00 0.00 C ATOM 432 O LYS A 57 78.488 10.738 -9.021 1.00 0.00 O ATOM 433 CB LYS A 57 78.824 12.688 -6.130 1.00 0.00 C ATOM 434 CG LYS A 57 78.322 13.998 -5.511 1.00 0.00 C ATOM 435 CD LYS A 57 79.039 15.184 -6.151 1.00 0.00 C ATOM 436 CE LYS A 57 80.105 15.715 -5.190 1.00 0.00 C ATOM 437 NZ LYS A 57 79.934 17.195 -5.212 1.00 0.00 N ATOM 0 H LYS A 57 76.438 12.540 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 57 77.891 12.972 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.876 11.912 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.834 12.822 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.246 14.090 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.498 13.993 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.500 14.880 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.323 15.971 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.966 15.316 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.106 15.428 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.630 17.634 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.078 17.547 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 78.974 17.438 -4.895 1.00 0.00 H new ATOM 451 N LEU A 58 78.484 9.918 -6.981 1.00 0.00 N ATOM 452 CA LEU A 58 78.893 8.568 -7.469 1.00 0.00 C ATOM 453 C LEU A 58 78.012 8.131 -8.649 1.00 0.00 C ATOM 454 O LEU A 58 78.460 7.446 -9.546 1.00 0.00 O ATOM 455 CB LEU A 58 78.675 7.636 -6.276 1.00 0.00 C ATOM 456 CG LEU A 58 79.970 7.520 -5.472 1.00 0.00 C ATOM 457 CD1 LEU A 58 80.044 8.661 -4.458 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.995 6.180 -4.732 1.00 0.00 C ATOM 0 H LEU A 58 78.355 9.994 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 58 79.924 8.557 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.875 8.020 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.361 6.652 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 58 80.823 7.578 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.967 8.579 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 58 80.027 9.616 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.191 8.603 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.919 6.098 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 79.142 6.122 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.942 5.365 -5.454 1.00 0.00 H new ATOM 470 N LYS A 59 76.761 8.511 -8.648 1.00 0.00 N ATOM 471 CA LYS A 59 75.853 8.106 -9.763 1.00 0.00 C ATOM 472 C LYS A 59 76.021 9.050 -10.962 1.00 0.00 C ATOM 473 O LYS A 59 75.839 8.664 -12.099 1.00 0.00 O ATOM 474 CB LYS A 59 74.442 8.204 -9.153 1.00 0.00 C ATOM 475 CG LYS A 59 73.492 8.977 -10.075 1.00 0.00 C ATOM 476 CD LYS A 59 72.078 8.955 -9.492 1.00 0.00 C ATOM 477 CE LYS A 59 71.139 8.233 -10.459 1.00 0.00 C ATOM 478 NZ LYS A 59 69.771 8.646 -10.040 1.00 0.00 N ATOM 0 H LYS A 59 76.328 9.084 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 59 76.062 7.106 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.048 7.203 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.496 8.700 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.834 10.006 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.493 8.532 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.079 8.451 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 59 71.728 9.973 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.339 8.518 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.262 7.152 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.067 8.192 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 69.607 8.356 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.682 9.679 -10.116 1.00 0.00 H new ATOM 492 N SER A 60 76.361 10.281 -10.713 1.00 0.00 N ATOM 493 CA SER A 60 76.533 11.249 -11.835 1.00 0.00 C ATOM 494 C SER A 60 77.960 11.172 -12.366 1.00 0.00 C ATOM 495 O SER A 60 78.281 11.715 -13.405 1.00 0.00 O ATOM 496 CB SER A 60 76.263 12.624 -11.223 1.00 0.00 C ATOM 497 OG SER A 60 75.206 12.523 -10.282 1.00 0.00 O ATOM 0 H SER A 60 76.528 10.662 -9.782 1.00 0.00 H new ATOM 0 HA SER A 60 75.864 11.041 -12.670 1.00 0.00 H new ATOM 0 HB2 SER A 60 77.163 13.000 -10.736 1.00 0.00 H new ATOM 0 HB3 SER A 60 76.001 13.337 -12.005 1.00 0.00 H new ATOM 0 HG SER A 60 75.549 12.149 -9.444 1.00 0.00 H new ATOM 503 N GLY A 61 78.818 10.501 -11.656 1.00 0.00 N ATOM 504 CA GLY A 61 80.226 10.382 -12.105 1.00 0.00 C ATOM 505 C GLY A 61 81.011 11.604 -11.631 1.00 0.00 C ATOM 506 O GLY A 61 81.956 12.031 -12.264 1.00 0.00 O ATOM 0 H GLY A 61 78.602 10.027 -10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.672 9.471 -11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 61 80.268 10.307 -13.192 1.00 0.00 H new ATOM 510 N MET A 62 80.631 12.167 -10.517 1.00 0.00 N ATOM 511 CA MET A 62 81.359 13.356 -10.000 1.00 0.00 C ATOM 512 C MET A 62 82.602 12.906 -9.241 1.00 0.00 C ATOM 513 O MET A 62 83.275 11.971 -9.627 1.00 0.00 O ATOM 514 CB MET A 62 80.373 14.045 -9.060 1.00 0.00 C ATOM 515 CG MET A 62 80.568 15.560 -9.140 1.00 0.00 C ATOM 516 SD MET A 62 79.330 16.265 -10.257 1.00 0.00 S ATOM 517 CE MET A 62 77.866 15.755 -9.323 1.00 0.00 C ATOM 0 H MET A 62 79.848 11.854 -9.944 1.00 0.00 H new ATOM 0 HA MET A 62 81.691 14.024 -10.795 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.351 13.784 -9.333 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.528 13.701 -8.037 1.00 0.00 H new ATOM 0 HG2 MET A 62 80.474 16.003 -8.149 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.571 15.791 -9.499 1.00 0.00 H new ATOM 0 HE1 MET A 62 77.125 15.339 -10.006 1.00 0.00 H new ATOM 0 HE2 MET A 62 78.147 14.999 -8.589 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.443 16.619 -8.810 1.00 0.00 H new ATOM 527 N ARG A 63 82.913 13.563 -8.165 1.00 0.00 N ATOM 528 CA ARG A 63 84.114 13.173 -7.382 1.00 0.00 C ATOM 529 C ARG A 63 83.918 11.820 -6.722 1.00 0.00 C ATOM 530 O ARG A 63 83.036 11.637 -5.911 1.00 0.00 O ATOM 531 CB ARG A 63 84.248 14.223 -6.299 1.00 0.00 C ATOM 532 CG ARG A 63 84.505 15.581 -6.927 1.00 0.00 C ATOM 533 CD ARG A 63 83.632 16.619 -6.220 1.00 0.00 C ATOM 534 NE ARG A 63 84.542 17.770 -5.964 1.00 0.00 N ATOM 535 CZ ARG A 63 84.079 18.988 -5.998 1.00 0.00 C ATOM 536 NH1 ARG A 63 83.228 19.389 -5.093 1.00 0.00 N ATOM 537 NH2 ARG A 63 84.467 19.805 -6.938 1.00 0.00 N ATOM 0 H ARG A 63 82.388 14.354 -7.792 1.00 0.00 H new ATOM 0 HA ARG A 63 84.991 13.106 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.339 14.256 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.066 13.963 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 63 85.558 15.847 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.274 15.555 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 63 82.786 16.914 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 63 83.222 16.224 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 63 85.528 17.605 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 63 82.925 18.749 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 63 82.866 20.342 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.132 19.490 -7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.106 20.758 -6.966 1.00 0.00 H new ATOM 551 N PHE A 64 84.753 10.884 -7.031 1.00 0.00 N ATOM 552 CA PHE A 64 84.644 9.559 -6.387 1.00 0.00 C ATOM 553 C PHE A 64 85.500 9.558 -5.124 1.00 0.00 C ATOM 554 O PHE A 64 85.219 8.868 -4.168 1.00 0.00 O ATOM 555 CB PHE A 64 85.204 8.568 -7.408 1.00 0.00 C ATOM 556 CG PHE A 64 84.081 8.009 -8.247 1.00 0.00 C ATOM 557 CD1 PHE A 64 83.028 7.319 -7.636 1.00 0.00 C ATOM 558 CD2 PHE A 64 84.094 8.179 -9.637 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.988 6.797 -8.415 1.00 0.00 C ATOM 560 CE2 PHE A 64 83.054 7.657 -10.416 1.00 0.00 C ATOM 561 CZ PHE A 64 82.001 6.966 -9.805 1.00 0.00 C ATOM 0 H PHE A 64 85.512 10.979 -7.706 1.00 0.00 H new ATOM 0 HA PHE A 64 83.622 9.306 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.935 9.064 -8.046 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.725 7.759 -6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 64 83.017 7.189 -6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 64 84.906 8.713 -10.108 1.00 0.00 H new ATOM 0 HE1 PHE A 64 81.176 6.264 -7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 64 83.064 7.788 -11.488 1.00 0.00 H new ATOM 0 HZ PHE A 64 81.199 6.563 -10.406 1.00 0.00 H new ATOM 571 N ASN A 65 86.558 10.328 -5.127 1.00 0.00 N ATOM 572 CA ASN A 65 87.463 10.357 -3.943 1.00 0.00 C ATOM 573 C ASN A 65 87.043 11.429 -2.947 1.00 0.00 C ATOM 574 O ASN A 65 87.065 11.213 -1.753 1.00 0.00 O ATOM 575 CB ASN A 65 88.848 10.670 -4.511 1.00 0.00 C ATOM 576 CG ASN A 65 89.874 9.693 -3.933 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.521 8.633 -3.456 1.00 0.00 O ATOM 578 ND2 ASN A 65 91.140 10.010 -3.956 1.00 0.00 N ATOM 0 H ASN A 65 86.833 10.937 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 65 87.439 9.412 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.832 10.594 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.129 11.694 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.834 9.368 -3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 65 91.436 10.900 -4.357 1.00 0.00 H new ATOM 585 N GLU A 66 86.665 12.580 -3.415 1.00 0.00 N ATOM 586 CA GLU A 66 86.258 13.643 -2.467 1.00 0.00 C ATOM 587 C GLU A 66 85.009 13.173 -1.735 1.00 0.00 C ATOM 588 O GLU A 66 84.973 13.114 -0.522 1.00 0.00 O ATOM 589 CB GLU A 66 86.026 14.895 -3.338 1.00 0.00 C ATOM 590 CG GLU A 66 84.565 15.358 -3.295 1.00 0.00 C ATOM 591 CD GLU A 66 84.515 16.876 -3.475 1.00 0.00 C ATOM 592 OE1 GLU A 66 85.565 17.464 -3.671 1.00 0.00 O ATOM 593 OE2 GLU A 66 83.426 17.424 -3.414 1.00 0.00 O ATOM 0 H GLU A 66 86.621 12.829 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 66 86.997 13.871 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 66 86.673 15.702 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.308 14.678 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 83.992 14.867 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 66 84.109 15.077 -2.346 1.00 0.00 H new ATOM 600 N VAL A 67 83.987 12.814 -2.458 1.00 0.00 N ATOM 601 CA VAL A 67 82.773 12.328 -1.777 1.00 0.00 C ATOM 602 C VAL A 67 83.186 11.202 -0.823 1.00 0.00 C ATOM 603 O VAL A 67 82.855 11.200 0.343 1.00 0.00 O ATOM 604 CB VAL A 67 81.859 11.782 -2.876 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.507 12.878 -3.875 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.568 10.657 -3.604 1.00 0.00 C ATOM 0 H VAL A 67 83.945 12.838 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 67 82.266 13.107 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 67 80.941 11.415 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.857 12.470 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.993 13.689 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.420 13.260 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.920 10.265 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.488 11.035 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.806 9.861 -2.899 1.00 0.00 H new ATOM 616 N ALA A 68 83.950 10.254 -1.301 1.00 0.00 N ATOM 617 CA ALA A 68 84.392 9.157 -0.407 1.00 0.00 C ATOM 618 C ALA A 68 85.232 9.756 0.705 1.00 0.00 C ATOM 619 O ALA A 68 85.264 9.266 1.817 1.00 0.00 O ATOM 620 CB ALA A 68 85.222 8.223 -1.286 1.00 0.00 C ATOM 0 H ALA A 68 84.282 10.197 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 68 83.566 8.616 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.583 7.386 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.605 7.847 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.072 8.769 -1.696 1.00 0.00 H new ATOM 626 N ALA A 69 85.899 10.832 0.414 1.00 0.00 N ATOM 627 CA ALA A 69 86.719 11.481 1.455 1.00 0.00 C ATOM 628 C ALA A 69 85.809 11.986 2.570 1.00 0.00 C ATOM 629 O ALA A 69 85.791 11.438 3.655 1.00 0.00 O ATOM 630 CB ALA A 69 87.426 12.649 0.762 1.00 0.00 C ATOM 0 H ALA A 69 85.909 11.286 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 69 87.441 10.797 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 69 88.053 13.174 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 69 88.046 12.269 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.683 13.337 0.359 1.00 0.00 H new ATOM 636 N GLN A 70 85.063 13.037 2.336 1.00 0.00 N ATOM 637 CA GLN A 70 84.198 13.546 3.423 1.00 0.00 C ATOM 638 C GLN A 70 82.794 12.952 3.426 1.00 0.00 C ATOM 639 O GLN A 70 82.311 12.554 4.457 1.00 0.00 O ATOM 640 CB GLN A 70 84.115 15.050 3.229 1.00 0.00 C ATOM 641 CG GLN A 70 84.798 15.778 4.400 1.00 0.00 C ATOM 642 CD GLN A 70 84.646 14.999 5.730 1.00 0.00 C ATOM 643 OE1 GLN A 70 83.582 14.256 5.949 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 85.512 15.069 6.579 1.00 0.00 N flip ATOM 0 H GLN A 70 85.020 13.550 1.455 1.00 0.00 H new ATOM 0 HA GLN A 70 84.633 13.260 4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.593 15.329 2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.072 15.358 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.856 15.912 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.367 16.773 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 70 86.340 15.643 6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 70 85.411 14.554 7.454 1.00 0.00 H new ATOM 653 N TYR A 71 82.099 12.949 2.322 1.00 0.00 N ATOM 654 CA TYR A 71 80.702 12.425 2.359 1.00 0.00 C ATOM 655 C TYR A 71 80.677 11.130 3.172 1.00 0.00 C ATOM 656 O TYR A 71 79.699 10.802 3.813 1.00 0.00 O ATOM 657 CB TYR A 71 80.268 12.217 0.902 1.00 0.00 C ATOM 658 CG TYR A 71 80.130 13.559 0.205 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.605 14.740 0.807 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.516 13.622 -1.052 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.463 15.967 0.149 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.374 14.851 -1.706 1.00 0.00 C ATOM 663 CZ TYR A 71 79.848 16.023 -1.106 1.00 0.00 C ATOM 664 OH TYR A 71 79.708 17.234 -1.752 1.00 0.00 O ATOM 0 H TYR A 71 82.427 13.278 1.414 1.00 0.00 H new ATOM 0 HA TYR A 71 80.008 13.113 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.000 11.600 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.319 11.682 0.869 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.079 14.699 1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.151 12.719 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.829 16.872 0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.898 14.895 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 71 79.261 17.096 -2.613 1.00 0.00 H new ATOM 674 N SER A 72 81.766 10.408 3.171 1.00 0.00 N ATOM 675 CA SER A 72 81.832 9.149 3.966 1.00 0.00 C ATOM 676 C SER A 72 81.907 9.465 5.472 1.00 0.00 C ATOM 677 O SER A 72 81.950 8.569 6.289 1.00 0.00 O ATOM 678 CB SER A 72 83.125 8.469 3.509 1.00 0.00 C ATOM 679 OG SER A 72 84.241 9.183 4.020 1.00 0.00 O ATOM 0 H SER A 72 82.614 10.637 2.652 1.00 0.00 H new ATOM 0 HA SER A 72 80.953 8.522 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.149 7.437 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.167 8.438 2.420 1.00 0.00 H new ATOM 0 HG SER A 72 84.644 9.716 3.303 1.00 0.00 H new ATOM 685 N GLU A 73 81.921 10.730 5.834 1.00 0.00 N ATOM 686 CA GLU A 73 82.003 11.137 7.270 1.00 0.00 C ATOM 687 C GLU A 73 82.760 10.089 8.082 1.00 0.00 C ATOM 688 O GLU A 73 82.382 9.728 9.179 1.00 0.00 O ATOM 689 CB GLU A 73 80.558 11.268 7.731 1.00 0.00 C ATOM 690 CG GLU A 73 80.463 12.408 8.740 1.00 0.00 C ATOM 691 CD GLU A 73 80.746 11.876 10.146 1.00 0.00 C ATOM 692 OE1 GLU A 73 80.251 10.807 10.465 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.452 12.546 10.882 1.00 0.00 O ATOM 0 H GLU A 73 81.878 11.510 5.178 1.00 0.00 H new ATOM 0 HA GLU A 73 82.547 12.072 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 73 79.907 11.463 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.220 10.335 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 73 81.177 13.192 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 73 79.471 12.857 8.703 1.00 0.00 H new ATOM 700 N ASP A 74 83.834 9.606 7.527 1.00 0.00 N ATOM 701 CA ASP A 74 84.662 8.573 8.217 1.00 0.00 C ATOM 702 C ASP A 74 85.844 8.194 7.320 1.00 0.00 C ATOM 703 O ASP A 74 86.445 9.038 6.686 1.00 0.00 O ATOM 704 CB ASP A 74 83.730 7.373 8.420 1.00 0.00 C ATOM 705 CG ASP A 74 83.486 6.672 7.079 1.00 0.00 C ATOM 706 OD1 ASP A 74 83.836 7.242 6.059 1.00 0.00 O ATOM 707 OD2 ASP A 74 82.951 5.575 7.096 1.00 0.00 O ATOM 0 H ASP A 74 84.181 9.886 6.610 1.00 0.00 H new ATOM 0 HA ASP A 74 85.067 8.924 9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 74 84.171 6.674 9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 74 82.783 7.705 8.845 1.00 0.00 H new ATOM 712 N LYS A 75 86.176 6.933 7.244 1.00 0.00 N ATOM 713 CA LYS A 75 87.309 6.521 6.367 1.00 0.00 C ATOM 714 C LYS A 75 87.038 6.981 4.930 1.00 0.00 C ATOM 715 O LYS A 75 87.382 8.082 4.548 1.00 0.00 O ATOM 716 CB LYS A 75 87.344 4.995 6.450 1.00 0.00 C ATOM 717 CG LYS A 75 88.384 4.454 5.468 1.00 0.00 C ATOM 718 CD LYS A 75 89.772 4.521 6.107 1.00 0.00 C ATOM 719 CE LYS A 75 90.732 3.608 5.341 1.00 0.00 C ATOM 720 NZ LYS A 75 91.646 4.537 4.619 1.00 0.00 N ATOM 0 H LYS A 75 85.715 6.175 7.748 1.00 0.00 H new ATOM 0 HA LYS A 75 88.259 6.959 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.589 4.681 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.361 4.585 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 75 88.145 3.425 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.368 5.036 4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.141 5.547 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 75 89.718 4.215 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 91.284 2.957 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.194 2.963 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 92.336 3.987 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 91.092 5.139 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 92.148 5.134 5.307 1.00 0.00 H new ATOM 799 N ASP A 81 88.153 2.690 -0.388 1.00 0.00 N ATOM 800 CA ASP A 81 87.784 1.285 -0.723 1.00 0.00 C ATOM 801 C ASP A 81 88.687 0.308 0.032 1.00 0.00 C ATOM 802 O ASP A 81 89.774 -0.011 -0.407 1.00 0.00 O ATOM 803 CB ASP A 81 88.007 1.169 -2.231 1.00 0.00 C ATOM 804 CG ASP A 81 87.727 -0.267 -2.679 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.396 -1.078 -1.830 1.00 0.00 O ATOM 806 OD2 ASP A 81 87.848 -0.532 -3.864 1.00 0.00 O ATOM 0 HA ASP A 81 86.758 1.047 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.352 1.861 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.031 1.446 -2.480 1.00 0.00 H new ATOM 811 N LEU A 82 88.244 -0.166 1.167 1.00 0.00 N ATOM 812 CA LEU A 82 89.072 -1.122 1.957 1.00 0.00 C ATOM 813 C LEU A 82 89.758 -2.126 1.027 1.00 0.00 C ATOM 814 O LEU A 82 90.939 -2.028 0.755 1.00 0.00 O ATOM 815 CB LEU A 82 88.077 -1.832 2.874 1.00 0.00 C ATOM 816 CG LEU A 82 87.887 -1.015 4.153 1.00 0.00 C ATOM 817 CD1 LEU A 82 87.160 0.290 3.825 1.00 0.00 C ATOM 818 CD2 LEU A 82 87.058 -1.820 5.155 1.00 0.00 C ATOM 0 H LEU A 82 87.342 0.069 1.581 1.00 0.00 H new ATOM 0 HA LEU A 82 89.862 -0.622 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 82 87.122 -1.956 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 82 88.440 -2.830 3.118 1.00 0.00 H new ATOM 0 HG LEU A 82 88.862 -0.789 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 82 87.025 0.871 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 82 87.750 0.866 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 82 86.186 0.065 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 82 86.923 -1.238 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.084 -2.047 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 82 87.576 -2.750 5.392 1.00 0.00 H new ATOM 830 N GLY A 83 89.028 -3.089 0.536 1.00 0.00 N ATOM 831 CA GLY A 83 89.640 -4.095 -0.376 1.00 0.00 C ATOM 832 C GLY A 83 88.998 -5.462 -0.131 1.00 0.00 C ATOM 833 O GLY A 83 87.885 -5.560 0.345 1.00 0.00 O ATOM 0 H GLY A 83 88.035 -3.223 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.497 -3.795 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.715 -4.150 -0.205 1.00 0.00 H new ATOM 837 N TRP A 84 89.693 -6.518 -0.454 1.00 0.00 N ATOM 838 CA TRP A 84 89.124 -7.879 -0.241 1.00 0.00 C ATOM 839 C TRP A 84 88.711 -8.054 1.221 1.00 0.00 C ATOM 840 O TRP A 84 89.470 -7.778 2.128 1.00 0.00 O ATOM 841 CB TRP A 84 90.257 -8.837 -0.613 1.00 0.00 C ATOM 842 CG TRP A 84 90.184 -9.120 -2.074 1.00 0.00 C ATOM 843 CD1 TRP A 84 91.141 -8.808 -2.971 1.00 0.00 C ATOM 844 CD2 TRP A 84 89.111 -9.755 -2.820 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.721 -9.204 -4.229 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.473 -9.795 -4.186 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.869 -10.293 -2.446 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.628 -10.349 -5.150 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.018 -10.851 -3.410 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.394 -10.878 -4.760 1.00 0.00 C ATOM 0 H TRP A 84 90.630 -6.497 -0.856 1.00 0.00 H new ATOM 0 HA TRP A 84 88.230 -8.060 -0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.222 -8.397 -0.361 1.00 0.00 H new ATOM 0 HB3 TRP A 84 90.171 -9.763 -0.044 1.00 0.00 H new ATOM 0 HD1 TRP A 84 92.081 -8.328 -2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.265 -9.075 -5.082 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.568 -10.277 -1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.925 -10.369 -6.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.066 -11.263 -3.110 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.732 -11.307 -5.498 1.00 0.00 H new ATOM 861 N MET A 85 87.508 -8.505 1.458 1.00 0.00 N ATOM 862 CA MET A 85 87.049 -8.687 2.865 1.00 0.00 C ATOM 863 C MET A 85 86.280 -10.001 3.003 1.00 0.00 C ATOM 864 O MET A 85 85.350 -10.269 2.268 1.00 0.00 O ATOM 865 CB MET A 85 86.129 -7.497 3.138 1.00 0.00 C ATOM 866 CG MET A 85 86.931 -6.372 3.796 1.00 0.00 C ATOM 867 SD MET A 85 87.327 -6.833 5.501 1.00 0.00 S ATOM 868 CE MET A 85 88.911 -5.963 5.608 1.00 0.00 C ATOM 0 H MET A 85 86.826 -8.754 0.741 1.00 0.00 H new ATOM 0 HA MET A 85 87.880 -8.730 3.569 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.686 -7.145 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.308 -7.800 3.787 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.847 -6.188 3.235 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.357 -5.445 3.782 1.00 0.00 H new ATOM 0 HE1 MET A 85 89.343 -6.114 6.597 1.00 0.00 H new ATOM 0 HE2 MET A 85 89.592 -6.353 4.851 1.00 0.00 H new ATOM 0 HE3 MET A 85 88.753 -4.898 5.440 1.00 0.00 H new ATOM 878 N THR A 86 86.659 -10.824 3.941 1.00 0.00 N ATOM 879 CA THR A 86 85.948 -12.118 4.122 1.00 0.00 C ATOM 880 C THR A 86 85.133 -12.100 5.415 1.00 0.00 C ATOM 881 O THR A 86 85.481 -11.440 6.373 1.00 0.00 O ATOM 882 CB THR A 86 87.049 -13.173 4.195 1.00 0.00 C ATOM 883 OG1 THR A 86 88.179 -12.635 4.867 1.00 0.00 O ATOM 884 CG2 THR A 86 87.445 -13.594 2.782 1.00 0.00 C ATOM 0 H THR A 86 87.429 -10.656 4.588 1.00 0.00 H new ATOM 0 HA THR A 86 85.248 -12.318 3.311 1.00 0.00 H new ATOM 0 HB THR A 86 86.684 -14.042 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.885 -13.313 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.231 -14.347 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.577 -14.010 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.810 -12.726 2.233 1.00 0.00 H new ATOM 892 N ARG A 87 84.048 -12.820 5.445 1.00 0.00 N ATOM 893 CA ARG A 87 83.203 -12.847 6.673 1.00 0.00 C ATOM 894 C ARG A 87 83.994 -13.421 7.852 1.00 0.00 C ATOM 895 O ARG A 87 84.920 -14.188 7.676 1.00 0.00 O ATOM 896 CB ARG A 87 82.025 -13.756 6.324 1.00 0.00 C ATOM 897 CG ARG A 87 80.815 -13.376 7.181 1.00 0.00 C ATOM 898 CD ARG A 87 80.754 -14.287 8.408 1.00 0.00 C ATOM 899 NE ARG A 87 79.436 -14.975 8.307 1.00 0.00 N ATOM 900 CZ ARG A 87 79.326 -16.228 8.654 1.00 0.00 C ATOM 901 NH1 ARG A 87 80.178 -16.752 9.492 1.00 0.00 N ATOM 902 NH2 ARG A 87 78.363 -16.958 8.160 1.00 0.00 N ATOM 0 H ARG A 87 83.708 -13.392 4.672 1.00 0.00 H new ATOM 0 HA ARG A 87 82.876 -11.850 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.779 -13.661 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.293 -14.798 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.889 -12.334 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 87 79.899 -13.471 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 87 81.575 -15.004 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.831 -13.713 9.331 1.00 0.00 H new ATOM 0 HE ARG A 87 78.620 -14.466 7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 87 80.931 -16.182 9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 87 80.091 -17.732 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 87 77.698 -16.549 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 87 78.276 -17.938 8.430 1.00 0.00 H new ATOM 916 N GLY A 88 83.637 -13.055 9.053 1.00 0.00 N ATOM 917 CA GLY A 88 84.368 -13.579 10.241 1.00 0.00 C ATOM 918 C GLY A 88 85.427 -12.564 10.676 1.00 0.00 C ATOM 919 O GLY A 88 85.761 -12.460 11.839 1.00 0.00 O ATOM 0 H GLY A 88 82.870 -12.416 9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 88 83.670 -13.766 11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 88 84.839 -14.532 10.000 1.00 0.00 H new ATOM 923 N SER A 89 85.958 -11.813 9.749 1.00 0.00 N ATOM 924 CA SER A 89 86.995 -10.805 10.110 1.00 0.00 C ATOM 925 C SER A 89 86.486 -9.393 9.807 1.00 0.00 C ATOM 926 O SER A 89 87.251 -8.455 9.705 1.00 0.00 O ATOM 927 CB SER A 89 88.198 -11.142 9.229 1.00 0.00 C ATOM 928 OG SER A 89 88.659 -12.449 9.538 1.00 0.00 O ATOM 0 H SER A 89 85.719 -11.854 8.758 1.00 0.00 H new ATOM 0 HA SER A 89 87.247 -10.832 11.170 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.920 -11.082 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.995 -10.416 9.390 1.00 0.00 H new ATOM 0 HG SER A 89 89.429 -12.666 8.972 1.00 0.00 H new ATOM 934 N MET A 90 85.199 -9.236 9.662 1.00 0.00 N ATOM 935 CA MET A 90 84.641 -7.886 9.365 1.00 0.00 C ATOM 936 C MET A 90 83.926 -7.327 10.599 1.00 0.00 C ATOM 937 O MET A 90 84.354 -6.355 11.188 1.00 0.00 O ATOM 938 CB MET A 90 83.650 -8.108 8.223 1.00 0.00 C ATOM 939 CG MET A 90 83.937 -7.112 7.098 1.00 0.00 C ATOM 940 SD MET A 90 82.473 -6.950 6.047 1.00 0.00 S ATOM 941 CE MET A 90 83.007 -8.081 4.739 1.00 0.00 C ATOM 0 H MET A 90 84.509 -9.984 9.736 1.00 0.00 H new ATOM 0 HA MET A 90 85.416 -7.168 9.096 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.732 -9.129 7.849 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.629 -7.982 8.583 1.00 0.00 H new ATOM 0 HG2 MET A 90 84.206 -6.142 7.516 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.787 -7.451 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 90 83.248 -7.511 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 90 83.890 -8.628 5.069 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.205 -8.785 4.517 1.00 0.00 H new ATOM 951 N VAL A 91 82.840 -7.934 10.995 1.00 0.00 N ATOM 952 CA VAL A 91 82.103 -7.434 12.193 1.00 0.00 C ATOM 953 C VAL A 91 80.793 -8.217 12.380 1.00 0.00 C ATOM 954 O VAL A 91 80.761 -9.226 13.056 1.00 0.00 O ATOM 955 CB VAL A 91 81.841 -5.945 11.917 1.00 0.00 C ATOM 956 CG1 VAL A 91 81.510 -5.732 10.435 1.00 0.00 C ATOM 957 CG2 VAL A 91 80.674 -5.455 12.778 1.00 0.00 C ATOM 0 H VAL A 91 82.432 -8.752 10.543 1.00 0.00 H new ATOM 0 HA VAL A 91 82.669 -7.568 13.115 1.00 0.00 H new ATOM 0 HB VAL A 91 82.738 -5.379 12.166 1.00 0.00 H new ATOM 0 HG11 VAL A 91 81.326 -4.673 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 91 82.348 -6.066 9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.620 -6.305 10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 91 80.493 -4.399 12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 91 79.779 -6.029 12.538 1.00 0.00 H new ATOM 0 HG23 VAL A 91 80.918 -5.588 13.832 1.00 0.00 H new ATOM 967 N GLY A 92 79.715 -7.768 11.794 1.00 0.00 N ATOM 968 CA GLY A 92 78.425 -8.497 11.952 1.00 0.00 C ATOM 969 C GLY A 92 77.387 -7.908 10.990 1.00 0.00 C ATOM 970 O GLY A 92 77.182 -8.429 9.911 1.00 0.00 O ATOM 0 H GLY A 92 79.673 -6.930 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.567 -9.558 11.747 1.00 0.00 H new ATOM 0 HA3 GLY A 92 78.072 -8.416 12.980 1.00 0.00 H new ATOM 974 N PRO A 93 76.764 -6.833 11.409 1.00 0.00 N ATOM 975 CA PRO A 93 75.742 -6.168 10.567 1.00 0.00 C ATOM 976 C PRO A 93 76.362 -5.701 9.248 1.00 0.00 C ATOM 977 O PRO A 93 75.906 -6.050 8.178 1.00 0.00 O ATOM 978 CB PRO A 93 75.320 -4.974 11.428 1.00 0.00 C ATOM 979 CG PRO A 93 76.124 -5.004 12.744 1.00 0.00 C ATOM 980 CD PRO A 93 77.046 -6.230 12.734 1.00 0.00 C ATOM 0 HA PRO A 93 74.909 -6.815 10.294 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.502 -4.041 10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.251 -5.018 11.637 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.711 -4.092 12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.448 -5.047 13.598 1.00 0.00 H new ATOM 0 HD2 PRO A 93 78.094 -5.950 12.838 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.817 -6.916 13.549 1.00 0.00 H new ATOM 988 N PHE A 94 77.400 -4.915 9.320 1.00 0.00 N ATOM 989 CA PHE A 94 78.053 -4.427 8.072 1.00 0.00 C ATOM 990 C PHE A 94 78.286 -5.593 7.108 1.00 0.00 C ATOM 991 O PHE A 94 78.134 -5.460 5.910 1.00 0.00 O ATOM 992 CB PHE A 94 79.384 -3.832 8.531 1.00 0.00 C ATOM 993 CG PHE A 94 79.820 -2.764 7.558 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.465 -3.125 6.370 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.582 -1.414 7.844 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.873 -2.137 5.467 1.00 0.00 C ATOM 997 CE2 PHE A 94 79.990 -0.425 6.941 1.00 0.00 C ATOM 998 CZ PHE A 94 80.636 -0.787 5.753 1.00 0.00 C ATOM 0 H PHE A 94 77.825 -4.589 10.188 1.00 0.00 H new ATOM 0 HA PHE A 94 77.442 -3.696 7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.280 -3.408 9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.142 -4.613 8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 94 80.648 -4.166 6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 94 79.084 -1.136 8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 94 81.371 -2.416 4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 94 79.807 0.616 7.161 1.00 0.00 H new ATOM 0 HZ PHE A 94 80.952 -0.024 5.057 1.00 0.00 H new ATOM 1008 N GLN A 95 78.652 -6.737 7.621 1.00 0.00 N ATOM 1009 CA GLN A 95 78.891 -7.910 6.732 1.00 0.00 C ATOM 1010 C GLN A 95 77.589 -8.689 6.523 1.00 0.00 C ATOM 1011 O GLN A 95 77.373 -9.290 5.489 1.00 0.00 O ATOM 1012 CB GLN A 95 79.914 -8.767 7.476 1.00 0.00 C ATOM 1013 CG GLN A 95 80.114 -10.087 6.728 1.00 0.00 C ATOM 1014 CD GLN A 95 78.993 -11.059 7.101 1.00 0.00 C ATOM 1015 OE1 GLN A 95 78.131 -11.348 6.295 1.00 0.00 O ATOM 1016 NE2 GLN A 95 78.969 -11.580 8.297 1.00 0.00 N ATOM 0 H GLN A 95 78.796 -6.910 8.616 1.00 0.00 H new ATOM 0 HA GLN A 95 79.246 -7.615 5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.862 -8.234 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 95 79.571 -8.961 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 95 80.115 -9.911 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 95 81.083 -10.518 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 95 79.693 -11.337 8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 95 78.227 -12.230 8.555 1.00 0.00 H new ATOM 1025 N GLU A 96 76.722 -8.686 7.498 1.00 0.00 N ATOM 1026 CA GLU A 96 75.436 -9.429 7.358 1.00 0.00 C ATOM 1027 C GLU A 96 74.653 -8.918 6.145 1.00 0.00 C ATOM 1028 O GLU A 96 73.931 -9.656 5.505 1.00 0.00 O ATOM 1029 CB GLU A 96 74.670 -9.140 8.649 1.00 0.00 C ATOM 1030 CG GLU A 96 74.897 -10.279 9.644 1.00 0.00 C ATOM 1031 CD GLU A 96 73.678 -10.407 10.560 1.00 0.00 C ATOM 1032 OE1 GLU A 96 72.768 -9.606 10.417 1.00 0.00 O ATOM 1033 OE2 GLU A 96 73.673 -11.303 11.387 1.00 0.00 O ATOM 0 H GLU A 96 76.848 -8.201 8.386 1.00 0.00 H new ATOM 0 HA GLU A 96 75.593 -10.497 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 96 75.004 -8.196 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 96 73.606 -9.035 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 96 75.064 -11.215 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 96 75.792 -10.086 10.236 1.00 0.00 H new ATOM 1040 N ALA A 97 74.788 -7.660 5.824 1.00 0.00 N ATOM 1041 CA ALA A 97 74.049 -7.105 4.653 1.00 0.00 C ATOM 1042 C ALA A 97 74.847 -7.329 3.367 1.00 0.00 C ATOM 1043 O ALA A 97 74.592 -8.252 2.619 1.00 0.00 O ATOM 1044 CB ALA A 97 73.911 -5.611 4.945 1.00 0.00 C ATOM 0 H ALA A 97 75.378 -6.993 6.321 1.00 0.00 H new ATOM 0 HA ALA A 97 73.081 -7.585 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.376 -5.128 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.357 -5.471 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.901 -5.166 5.043 1.00 0.00 H new ATOM 1050 N ALA A 98 75.808 -6.487 3.109 1.00 0.00 N ATOM 1051 CA ALA A 98 76.631 -6.637 1.872 1.00 0.00 C ATOM 1052 C ALA A 98 76.936 -8.113 1.604 1.00 0.00 C ATOM 1053 O ALA A 98 76.410 -8.707 0.684 1.00 0.00 O ATOM 1054 CB ALA A 98 77.921 -5.869 2.162 1.00 0.00 C ATOM 0 H ALA A 98 76.062 -5.697 3.703 1.00 0.00 H new ATOM 0 HA ALA A 98 76.116 -6.258 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.583 -5.931 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.685 -4.824 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.416 -6.304 3.030 1.00 0.00 H new ATOM 1060 N PHE A 99 77.785 -8.709 2.398 1.00 0.00 N ATOM 1061 CA PHE A 99 78.124 -10.146 2.185 1.00 0.00 C ATOM 1062 C PHE A 99 76.864 -10.946 1.855 1.00 0.00 C ATOM 1063 O PHE A 99 76.735 -11.510 0.787 1.00 0.00 O ATOM 1064 CB PHE A 99 78.725 -10.614 3.510 1.00 0.00 C ATOM 1065 CG PHE A 99 79.920 -11.495 3.234 1.00 0.00 C ATOM 1066 CD1 PHE A 99 81.172 -10.919 2.988 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.776 -12.887 3.224 1.00 0.00 C ATOM 1068 CE1 PHE A 99 82.280 -11.735 2.731 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.884 -13.704 2.967 1.00 0.00 C ATOM 1070 CZ PHE A 99 82.136 -13.128 2.721 1.00 0.00 C ATOM 0 H PHE A 99 78.258 -8.263 3.184 1.00 0.00 H new ATOM 0 HA PHE A 99 78.814 -10.286 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 99 79.024 -9.755 4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.980 -11.162 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 99 81.283 -9.845 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.810 -13.331 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 99 83.246 -11.290 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.773 -14.778 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.991 -13.758 2.524 1.00 0.00 H new ATOM 1080 N ALA A 100 75.936 -10.997 2.765 1.00 0.00 N ATOM 1081 CA ALA A 100 74.681 -11.759 2.508 1.00 0.00 C ATOM 1082 C ALA A 100 73.977 -11.210 1.263 1.00 0.00 C ATOM 1083 O ALA A 100 73.115 -11.849 0.693 1.00 0.00 O ATOM 1084 CB ALA A 100 73.820 -11.538 3.752 1.00 0.00 C ATOM 0 H ALA A 100 75.990 -10.544 3.677 1.00 0.00 H new ATOM 0 HA ALA A 100 74.870 -12.817 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.875 -12.069 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.346 -11.914 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.625 -10.473 3.875 1.00 0.00 H new ATOM 1090 N LEU A 101 74.338 -10.029 0.839 1.00 0.00 N ATOM 1091 CA LEU A 101 73.689 -9.441 -0.366 1.00 0.00 C ATOM 1092 C LEU A 101 74.627 -9.542 -1.578 1.00 0.00 C ATOM 1093 O LEU A 101 75.832 -9.506 -1.429 1.00 0.00 O ATOM 1094 CB LEU A 101 73.439 -7.979 -0.002 1.00 0.00 C ATOM 1095 CG LEU A 101 72.185 -7.878 0.868 1.00 0.00 C ATOM 1096 CD1 LEU A 101 72.127 -6.496 1.521 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.942 -8.084 -0.001 1.00 0.00 C ATOM 0 H LEU A 101 75.053 -9.447 1.275 1.00 0.00 H new ATOM 0 HA LEU A 101 72.769 -9.959 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.299 -7.574 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.316 -7.384 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 101 72.218 -8.645 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.233 -6.424 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 101 73.012 -6.349 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.095 -5.729 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.049 -8.012 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.909 -7.318 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.982 -9.069 -0.466 1.00 0.00 H new ATOM 1109 N PRO A 102 74.042 -9.667 -2.745 1.00 0.00 N ATOM 1110 CA PRO A 102 74.838 -9.774 -3.991 1.00 0.00 C ATOM 1111 C PRO A 102 75.657 -8.499 -4.228 1.00 0.00 C ATOM 1112 O PRO A 102 75.417 -7.473 -3.622 1.00 0.00 O ATOM 1113 CB PRO A 102 73.759 -9.947 -5.065 1.00 0.00 C ATOM 1114 CG PRO A 102 72.375 -9.933 -4.385 1.00 0.00 C ATOM 1115 CD PRO A 102 72.565 -9.710 -2.880 1.00 0.00 C ATOM 0 HA PRO A 102 75.565 -10.586 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.826 -9.145 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.907 -10.885 -5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.755 -9.143 -4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.857 -10.875 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.100 -8.783 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 102 72.127 -10.517 -2.292 1.00 0.00 H new ATOM 1123 N VAL A 103 76.623 -8.561 -5.105 1.00 0.00 N ATOM 1124 CA VAL A 103 77.464 -7.359 -5.388 1.00 0.00 C ATOM 1125 C VAL A 103 76.590 -6.102 -5.454 1.00 0.00 C ATOM 1126 O VAL A 103 75.393 -6.178 -5.646 1.00 0.00 O ATOM 1127 CB VAL A 103 78.115 -7.652 -6.742 1.00 0.00 C ATOM 1128 CG1 VAL A 103 78.593 -6.351 -7.389 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.313 -8.578 -6.532 1.00 0.00 C ATOM 0 H VAL A 103 76.868 -9.394 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 103 78.208 -7.174 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 103 77.383 -8.128 -7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 103 79.054 -6.571 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 103 77.743 -5.685 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.323 -5.868 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.781 -8.791 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.036 -8.094 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 103 78.977 -9.510 -6.078 1.00 0.00 H new ATOM 1139 N SER A 104 77.178 -4.945 -5.291 1.00 0.00 N ATOM 1140 CA SER A 104 76.369 -3.688 -5.340 1.00 0.00 C ATOM 1141 C SER A 104 77.259 -2.455 -5.139 1.00 0.00 C ATOM 1142 O SER A 104 78.386 -2.410 -5.591 1.00 0.00 O ATOM 1143 CB SER A 104 75.379 -3.817 -4.183 1.00 0.00 C ATOM 1144 OG SER A 104 75.971 -3.308 -2.997 1.00 0.00 O ATOM 0 H SER A 104 78.176 -4.815 -5.127 1.00 0.00 H new ATOM 0 HA SER A 104 75.874 -3.561 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 104 74.464 -3.270 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 104 75.099 -4.861 -4.044 1.00 0.00 H new ATOM 0 HG SER A 104 75.337 -3.388 -2.254 1.00 0.00 H new ATOM 1150 N GLY A 105 76.759 -1.455 -4.456 1.00 0.00 N ATOM 1151 CA GLY A 105 77.573 -0.229 -4.217 1.00 0.00 C ATOM 1152 C GLY A 105 76.994 0.961 -4.987 1.00 0.00 C ATOM 1153 O GLY A 105 76.167 0.807 -5.864 1.00 0.00 O ATOM 0 H GLY A 105 75.822 -1.437 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 105 77.595 -0.003 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.603 -0.404 -4.528 1.00 0.00 H new ATOM 1157 N MET A 106 77.441 2.151 -4.670 1.00 0.00 N ATOM 1158 CA MET A 106 76.945 3.361 -5.381 1.00 0.00 C ATOM 1159 C MET A 106 75.452 3.590 -5.087 1.00 0.00 C ATOM 1160 O MET A 106 74.886 2.973 -4.207 1.00 0.00 O ATOM 1161 CB MET A 106 77.199 3.039 -6.851 1.00 0.00 C ATOM 1162 CG MET A 106 77.360 4.330 -7.660 1.00 0.00 C ATOM 1163 SD MET A 106 76.477 4.176 -9.234 1.00 0.00 S ATOM 1164 CE MET A 106 74.812 3.981 -8.553 1.00 0.00 C ATOM 0 H MET A 106 78.133 2.333 -3.943 1.00 0.00 H new ATOM 0 HA MET A 106 77.440 4.281 -5.071 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.097 2.428 -6.946 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.371 2.453 -7.250 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.970 5.176 -7.094 1.00 0.00 H new ATOM 0 HG3 MET A 106 78.416 4.527 -7.842 1.00 0.00 H new ATOM 0 HE1 MET A 106 74.104 3.815 -9.365 1.00 0.00 H new ATOM 0 HE2 MET A 106 74.794 3.127 -7.875 1.00 0.00 H new ATOM 0 HE3 MET A 106 74.534 4.883 -8.008 1.00 0.00 H new ATOM 1174 N ASP A 107 74.814 4.485 -5.803 1.00 0.00 N ATOM 1175 CA ASP A 107 73.366 4.766 -5.547 1.00 0.00 C ATOM 1176 C ASP A 107 72.467 3.694 -6.175 1.00 0.00 C ATOM 1177 O ASP A 107 71.270 3.868 -6.288 1.00 0.00 O ATOM 1178 CB ASP A 107 73.107 6.126 -6.194 1.00 0.00 C ATOM 1179 CG ASP A 107 71.620 6.467 -6.087 1.00 0.00 C ATOM 1180 OD1 ASP A 107 70.974 5.942 -5.195 1.00 0.00 O ATOM 1181 OD2 ASP A 107 71.151 7.247 -6.900 1.00 0.00 O ATOM 0 H ASP A 107 75.234 5.033 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 107 73.141 4.763 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 107 73.703 6.894 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.412 6.107 -7.240 1.00 0.00 H new ATOM 1186 N LYS A 108 73.022 2.580 -6.559 1.00 0.00 N ATOM 1187 CA LYS A 108 72.191 1.497 -7.145 1.00 0.00 C ATOM 1188 C LYS A 108 72.704 0.140 -6.652 1.00 0.00 C ATOM 1189 O LYS A 108 72.975 -0.739 -7.446 1.00 0.00 O ATOM 1190 CB LYS A 108 72.374 1.626 -8.658 1.00 0.00 C ATOM 1191 CG LYS A 108 71.346 0.746 -9.371 1.00 0.00 C ATOM 1192 CD LYS A 108 72.065 -0.196 -10.339 1.00 0.00 C ATOM 1193 CE LYS A 108 71.378 -0.145 -11.705 1.00 0.00 C ATOM 1194 NZ LYS A 108 70.765 -1.492 -11.876 1.00 0.00 N ATOM 0 H LYS A 108 74.019 2.373 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 108 71.141 1.572 -6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.253 2.666 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 108 73.383 1.327 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.776 0.170 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.633 1.367 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 108 73.111 0.094 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 108 72.051 -1.214 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 108 70.623 0.640 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 108 72.093 0.067 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.274 -1.536 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.509 -2.218 -11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 70.084 -1.663 -11.109 1.00 0.00 H new ATOM 1208 N PRO A 109 72.834 0.010 -5.350 1.00 0.00 N ATOM 1209 CA PRO A 109 73.333 -1.253 -4.763 1.00 0.00 C ATOM 1210 C PRO A 109 72.341 -2.392 -5.004 1.00 0.00 C ATOM 1211 O PRO A 109 71.610 -2.399 -5.975 1.00 0.00 O ATOM 1212 CB PRO A 109 73.433 -0.917 -3.273 1.00 0.00 C ATOM 1213 CG PRO A 109 72.986 0.541 -3.066 1.00 0.00 C ATOM 1214 CD PRO A 109 72.493 1.101 -4.400 1.00 0.00 C ATOM 0 HA PRO A 109 74.277 -1.590 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 109 72.805 -1.591 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.456 -1.052 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 109 72.193 0.590 -2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 109 73.815 1.140 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 109 71.423 1.306 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 109 72.992 2.035 -4.658 1.00 0.00 H new ATOM 1222 N VAL A 110 72.320 -3.358 -4.131 1.00 0.00 N ATOM 1223 CA VAL A 110 71.394 -4.504 -4.304 1.00 0.00 C ATOM 1224 C VAL A 110 69.974 -4.126 -3.866 1.00 0.00 C ATOM 1225 O VAL A 110 69.626 -2.965 -3.779 1.00 0.00 O ATOM 1226 CB VAL A 110 71.985 -5.599 -3.412 1.00 0.00 C ATOM 1227 CG1 VAL A 110 71.465 -5.468 -1.978 1.00 0.00 C ATOM 1228 CG2 VAL A 110 71.590 -6.958 -3.964 1.00 0.00 C ATOM 0 H VAL A 110 72.910 -3.401 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 110 71.305 -4.824 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 110 73.070 -5.496 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 110 71.897 -6.256 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 110 71.748 -4.495 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 110 70.379 -5.560 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 110 72.008 -7.742 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 110 70.503 -7.043 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 110 71.975 -7.065 -4.978 1.00 0.00 H new ATOM 1238 N PHE A 111 69.155 -5.103 -3.593 1.00 0.00 N ATOM 1239 CA PHE A 111 67.759 -4.815 -3.162 1.00 0.00 C ATOM 1240 C PHE A 111 67.753 -3.831 -1.992 1.00 0.00 C ATOM 1241 O PHE A 111 66.971 -2.902 -1.950 1.00 0.00 O ATOM 1242 CB PHE A 111 67.198 -6.166 -2.721 1.00 0.00 C ATOM 1243 CG PHE A 111 67.228 -7.129 -3.883 1.00 0.00 C ATOM 1244 CD1 PHE A 111 66.248 -7.057 -4.880 1.00 0.00 C ATOM 1245 CD2 PHE A 111 68.237 -8.097 -3.962 1.00 0.00 C ATOM 1246 CE1 PHE A 111 66.277 -7.952 -5.957 1.00 0.00 C ATOM 1247 CE2 PHE A 111 68.266 -8.991 -5.039 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.286 -8.919 -6.036 1.00 0.00 C ATOM 0 H PHE A 111 69.394 -6.093 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 111 67.169 -4.363 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 111 67.785 -6.562 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 111 66.176 -6.047 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 111 65.469 -6.311 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 111 68.993 -8.154 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 111 65.521 -7.896 -6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 111 69.045 -9.737 -5.101 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.308 -9.610 -6.866 1.00 0.00 H new ATOM 1258 N THR A 112 68.613 -4.036 -1.038 1.00 0.00 N ATOM 1259 CA THR A 112 68.652 -3.116 0.139 1.00 0.00 C ATOM 1260 C THR A 112 69.003 -1.693 -0.298 1.00 0.00 C ATOM 1261 O THR A 112 68.894 -1.339 -1.455 1.00 0.00 O ATOM 1262 CB THR A 112 69.742 -3.672 1.059 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.621 -3.077 2.344 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.124 -3.357 0.480 1.00 0.00 C ATOM 0 H THR A 112 69.291 -4.798 -1.018 1.00 0.00 H new ATOM 0 HA THR A 112 67.684 -3.065 0.638 1.00 0.00 H new ATOM 0 HB THR A 112 69.627 -4.753 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.317 -3.432 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.894 -3.756 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.218 -3.814 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.244 -2.277 0.393 1.00 0.00 H new ATOM 1272 N ASP A 113 69.427 -0.880 0.628 1.00 0.00 N ATOM 1273 CA ASP A 113 69.796 0.526 0.287 1.00 0.00 C ATOM 1274 C ASP A 113 71.252 0.786 0.687 1.00 0.00 C ATOM 1275 O ASP A 113 71.765 0.143 1.581 1.00 0.00 O ATOM 1276 CB ASP A 113 68.848 1.400 1.111 1.00 0.00 C ATOM 1277 CG ASP A 113 67.428 0.835 1.030 1.00 0.00 C ATOM 1278 OD1 ASP A 113 66.847 0.895 -0.041 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.945 0.352 2.042 1.00 0.00 O ATOM 0 H ASP A 113 69.535 -1.128 1.611 1.00 0.00 H new ATOM 0 HA ASP A 113 69.709 0.734 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.178 1.434 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.865 2.424 0.738 1.00 0.00 H new ATOM 1284 N PRO A 114 71.881 1.712 0.008 1.00 0.00 N ATOM 1285 CA PRO A 114 73.293 2.034 0.304 1.00 0.00 C ATOM 1286 C PRO A 114 73.477 2.520 1.756 1.00 0.00 C ATOM 1287 O PRO A 114 74.265 1.954 2.483 1.00 0.00 O ATOM 1288 CB PRO A 114 73.626 3.110 -0.736 1.00 0.00 C ATOM 1289 CG PRO A 114 72.373 3.354 -1.606 1.00 0.00 C ATOM 1290 CD PRO A 114 71.226 2.475 -1.082 1.00 0.00 C ATOM 0 HA PRO A 114 73.959 1.174 0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 114 73.930 4.033 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.462 2.790 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.089 4.406 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.585 3.116 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.392 3.073 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.831 1.818 -1.857 1.00 0.00 H new ATOM 1298 N PRO A 115 72.752 3.542 2.144 1.00 0.00 N ATOM 1299 CA PRO A 115 72.864 4.080 3.526 1.00 0.00 C ATOM 1300 C PRO A 115 72.335 3.062 4.541 1.00 0.00 C ATOM 1301 O PRO A 115 71.237 3.193 5.045 1.00 0.00 O ATOM 1302 CB PRO A 115 71.950 5.308 3.481 1.00 0.00 C ATOM 1303 CG PRO A 115 71.338 5.417 2.072 1.00 0.00 C ATOM 1304 CD PRO A 115 71.789 4.207 1.243 1.00 0.00 C ATOM 0 HA PRO A 115 73.888 4.306 3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.162 5.220 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.516 6.209 3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.250 5.448 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.656 6.343 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 115 70.953 3.555 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.254 4.509 0.304 1.00 0.00 H new ATOM 1312 N VAL A 116 73.095 2.046 4.845 1.00 0.00 N ATOM 1313 CA VAL A 116 72.612 1.032 5.822 1.00 0.00 C ATOM 1314 C VAL A 116 73.021 1.426 7.245 1.00 0.00 C ATOM 1315 O VAL A 116 74.031 2.067 7.458 1.00 0.00 O ATOM 1316 CB VAL A 116 73.285 -0.279 5.406 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.256 -0.415 3.882 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.734 -0.298 5.893 1.00 0.00 C ATOM 0 H VAL A 116 74.024 1.875 4.461 1.00 0.00 H new ATOM 0 HA VAL A 116 71.525 0.945 5.821 1.00 0.00 H new ATOM 0 HB VAL A 116 72.744 -1.113 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.736 -1.349 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.222 -0.415 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.789 0.422 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.206 -1.234 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.276 0.539 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 116 74.754 -0.213 6.980 1.00 0.00 H new ATOM 1328 N LYS A 117 72.240 1.049 8.219 1.00 0.00 N ATOM 1329 CA LYS A 117 72.577 1.401 9.627 1.00 0.00 C ATOM 1330 C LYS A 117 73.171 0.190 10.350 1.00 0.00 C ATOM 1331 O LYS A 117 72.852 -0.943 10.048 1.00 0.00 O ATOM 1332 CB LYS A 117 71.245 1.802 10.258 1.00 0.00 C ATOM 1333 CG LYS A 117 71.456 2.114 11.740 1.00 0.00 C ATOM 1334 CD LYS A 117 70.205 2.795 12.299 1.00 0.00 C ATOM 1335 CE LYS A 117 69.971 2.327 13.737 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.074 3.357 14.334 1.00 0.00 N ATOM 0 H LYS A 117 71.381 0.511 8.100 1.00 0.00 H new ATOM 0 HA LYS A 117 73.317 2.199 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 117 70.836 2.673 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 117 70.520 0.996 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 117 71.661 1.196 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.323 2.762 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 117 70.324 3.878 12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 117 69.340 2.554 11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 117 69.510 1.340 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 117 70.910 2.254 14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 68.867 3.106 15.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.542 4.285 14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 68.186 3.399 13.794 1.00 0.00 H new ATOM 1350 N THR A 118 74.032 0.419 11.304 1.00 0.00 N ATOM 1351 CA THR A 118 74.643 -0.723 12.043 1.00 0.00 C ATOM 1352 C THR A 118 75.200 -0.250 13.388 1.00 0.00 C ATOM 1353 O THR A 118 75.007 -0.883 14.407 1.00 0.00 O ATOM 1354 CB THR A 118 75.770 -1.225 11.139 1.00 0.00 C ATOM 1355 OG1 THR A 118 76.426 -2.318 11.765 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.773 -0.097 10.894 1.00 0.00 C ATOM 0 H THR A 118 74.338 1.345 11.603 1.00 0.00 H new ATOM 0 HA THR A 118 73.918 -1.507 12.261 1.00 0.00 H new ATOM 0 HB THR A 118 75.353 -1.549 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.060 -2.722 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.575 -0.457 10.250 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.268 0.740 10.412 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.191 0.231 11.846 1.00 0.00 H new ATOM 1364 N LYS A 119 75.890 0.858 13.402 1.00 0.00 N ATOM 1365 CA LYS A 119 76.456 1.364 14.687 1.00 0.00 C ATOM 1366 C LYS A 119 77.122 2.728 14.479 1.00 0.00 C ATOM 1367 O LYS A 119 78.036 3.096 15.189 1.00 0.00 O ATOM 1368 CB LYS A 119 77.494 0.321 15.099 1.00 0.00 C ATOM 1369 CG LYS A 119 78.521 0.154 13.977 1.00 0.00 C ATOM 1370 CD LYS A 119 79.931 0.285 14.555 1.00 0.00 C ATOM 1371 CE LYS A 119 80.378 -1.064 15.122 1.00 0.00 C ATOM 1372 NZ LYS A 119 81.854 -1.092 14.920 1.00 0.00 N ATOM 0 H LYS A 119 76.086 1.433 12.583 1.00 0.00 H new ATOM 0 HA LYS A 119 75.687 1.501 15.448 1.00 0.00 H new ATOM 0 HB2 LYS A 119 77.991 0.630 16.019 1.00 0.00 H new ATOM 0 HB3 LYS A 119 77.006 -0.632 15.305 1.00 0.00 H new ATOM 0 HG2 LYS A 119 78.400 -0.819 13.501 1.00 0.00 H new ATOM 0 HG3 LYS A 119 78.360 0.908 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 119 80.624 0.613 13.780 1.00 0.00 H new ATOM 0 HD3 LYS A 119 79.946 1.043 15.338 1.00 0.00 H new ATOM 0 HE2 LYS A 119 80.122 -1.154 16.178 1.00 0.00 H new ATOM 0 HE3 LYS A 119 79.892 -1.891 14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 82.237 -1.988 15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 82.067 -1.011 13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 82.289 -0.297 15.430 1.00 0.00 H new ATOM 1386 N PHE A 120 76.671 3.481 13.513 1.00 0.00 N ATOM 1387 CA PHE A 120 77.283 4.819 13.267 1.00 0.00 C ATOM 1388 C PHE A 120 76.444 5.613 12.262 1.00 0.00 C ATOM 1389 O PHE A 120 76.940 6.489 11.581 1.00 0.00 O ATOM 1390 CB PHE A 120 78.667 4.521 12.692 1.00 0.00 C ATOM 1391 CG PHE A 120 79.711 5.278 13.478 1.00 0.00 C ATOM 1392 CD1 PHE A 120 79.746 6.677 13.429 1.00 0.00 C ATOM 1393 CD2 PHE A 120 80.644 4.581 14.255 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.713 7.379 14.158 1.00 0.00 C ATOM 1395 CE2 PHE A 120 81.611 5.283 14.984 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.646 6.682 14.935 1.00 0.00 C ATOM 0 H PHE A 120 75.908 3.229 12.885 1.00 0.00 H new ATOM 0 HA PHE A 120 77.338 5.419 14.175 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.868 3.451 12.736 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.706 4.810 11.642 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.027 7.214 12.829 1.00 0.00 H new ATOM 0 HD2 PHE A 120 80.618 3.502 14.292 1.00 0.00 H new ATOM 0 HE1 PHE A 120 80.739 8.458 14.121 1.00 0.00 H new ATOM 0 HE2 PHE A 120 82.330 4.746 15.584 1.00 0.00 H new ATOM 0 HZ PHE A 120 82.393 7.223 15.497 1.00 0.00 H new ATOM 1406 N GLY A 121 75.177 5.316 12.162 1.00 0.00 N ATOM 1407 CA GLY A 121 74.315 6.057 11.200 1.00 0.00 C ATOM 1408 C GLY A 121 74.163 5.237 9.918 1.00 0.00 C ATOM 1409 O GLY A 121 74.298 4.030 9.923 1.00 0.00 O ATOM 0 H GLY A 121 74.703 4.594 12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.337 6.246 11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 121 74.755 7.028 10.974 1.00 0.00 H new ATOM 1413 N TYR A 122 73.881 5.883 8.821 1.00 0.00 N ATOM 1414 CA TYR A 122 73.717 5.141 7.538 1.00 0.00 C ATOM 1415 C TYR A 122 74.988 5.252 6.692 1.00 0.00 C ATOM 1416 O TYR A 122 75.442 6.336 6.381 1.00 0.00 O ATOM 1417 CB TYR A 122 72.548 5.832 6.834 1.00 0.00 C ATOM 1418 CG TYR A 122 71.356 5.881 7.760 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.196 4.905 8.752 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.411 6.905 7.628 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.091 4.953 9.610 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.306 6.953 8.486 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.146 5.977 9.477 1.00 0.00 C ATOM 1424 OH TYR A 122 68.057 6.026 10.323 1.00 0.00 O ATOM 0 H TYR A 122 73.757 6.893 8.757 1.00 0.00 H new ATOM 0 HA TYR A 122 73.534 4.078 7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 122 72.834 6.842 6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.291 5.294 5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 122 71.925 4.115 8.855 1.00 0.00 H new ATOM 0 HD2 TYR A 122 70.534 7.658 6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 122 69.968 4.200 10.374 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.577 7.743 8.384 1.00 0.00 H new ATOM 0 HH TYR A 122 67.501 6.800 10.095 1.00 0.00 H new ATOM 1434 N HIS A 123 75.559 4.144 6.301 1.00 0.00 N ATOM 1435 CA HIS A 123 76.790 4.207 5.461 1.00 0.00 C ATOM 1436 C HIS A 123 76.545 3.491 4.131 1.00 0.00 C ATOM 1437 O HIS A 123 75.809 2.529 4.068 1.00 0.00 O ATOM 1438 CB HIS A 123 77.892 3.506 6.265 1.00 0.00 C ATOM 1439 CG HIS A 123 77.351 2.284 6.955 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.669 1.001 6.538 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.538 2.130 8.051 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.059 0.140 7.373 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.356 0.776 8.314 1.00 0.00 N ATOM 0 H HIS A 123 75.229 3.205 6.525 1.00 0.00 H new ATOM 0 HA HIS A 123 77.073 5.234 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 123 78.709 3.223 5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.304 4.194 7.003 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.258 0.754 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.105 2.938 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.129 -0.935 7.292 1.00 0.00 H new ATOM 1451 N ILE A 124 77.149 3.955 3.069 1.00 0.00 N ATOM 1452 CA ILE A 124 76.934 3.299 1.743 1.00 0.00 C ATOM 1453 C ILE A 124 77.969 2.190 1.529 1.00 0.00 C ATOM 1454 O ILE A 124 79.143 2.446 1.350 1.00 0.00 O ATOM 1455 CB ILE A 124 77.105 4.415 0.699 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.433 5.701 1.195 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.446 3.996 -0.615 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.662 6.821 0.174 1.00 0.00 C ATOM 0 H ILE A 124 77.780 4.757 3.061 1.00 0.00 H new ATOM 0 HA ILE A 124 75.951 2.834 1.671 1.00 0.00 H new ATOM 0 HB ILE A 124 78.170 4.590 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.365 5.535 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.842 5.988 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.569 4.789 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 124 76.915 3.083 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.384 3.817 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 124 76.185 7.736 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.732 6.992 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.232 6.532 -0.785 1.00 0.00 H new ATOM 1470 N ILE A 125 77.538 0.956 1.552 1.00 0.00 N ATOM 1471 CA ILE A 125 78.483 -0.177 1.354 1.00 0.00 C ATOM 1472 C ILE A 125 78.466 -0.618 -0.111 1.00 0.00 C ATOM 1473 O ILE A 125 77.420 -0.798 -0.702 1.00 0.00 O ATOM 1474 CB ILE A 125 77.950 -1.286 2.264 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.406 -1.034 3.701 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.480 -2.640 1.797 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.643 -1.966 4.645 1.00 0.00 C ATOM 0 H ILE A 125 76.566 0.685 1.700 1.00 0.00 H new ATOM 0 HA ILE A 125 79.514 0.084 1.592 1.00 0.00 H new ATOM 0 HB ILE A 125 76.861 -1.289 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.479 -1.206 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.227 0.006 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.097 -3.425 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.153 -2.826 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.569 -2.637 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 125 77.966 -1.789 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.574 -1.772 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.845 -3.002 4.375 1.00 0.00 H new ATOM 1489 N MET A 126 79.614 -0.780 -0.707 1.00 0.00 N ATOM 1490 CA MET A 126 79.659 -1.190 -2.130 1.00 0.00 C ATOM 1491 C MET A 126 80.481 -2.478 -2.284 1.00 0.00 C ATOM 1492 O MET A 126 81.694 -2.451 -2.324 1.00 0.00 O ATOM 1493 CB MET A 126 80.315 0.014 -2.832 1.00 0.00 C ATOM 1494 CG MET A 126 81.365 -0.444 -3.848 1.00 0.00 C ATOM 1495 SD MET A 126 81.620 0.844 -5.097 1.00 0.00 S ATOM 1496 CE MET A 126 81.431 2.282 -4.013 1.00 0.00 C ATOM 0 H MET A 126 80.523 -0.645 -0.265 1.00 0.00 H new ATOM 0 HA MET A 126 78.682 -1.421 -2.555 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.551 0.605 -3.336 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.781 0.662 -2.090 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.305 -0.661 -3.340 1.00 0.00 H new ATOM 0 HG3 MET A 126 81.041 -1.368 -4.327 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.842 3.164 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.374 2.443 -3.803 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.964 2.106 -3.079 1.00 0.00 H new ATOM 1506 N VAL A 127 79.824 -3.601 -2.389 1.00 0.00 N ATOM 1507 CA VAL A 127 80.560 -4.887 -2.557 1.00 0.00 C ATOM 1508 C VAL A 127 80.763 -5.140 -4.050 1.00 0.00 C ATOM 1509 O VAL A 127 79.832 -5.066 -4.826 1.00 0.00 O ATOM 1510 CB VAL A 127 79.642 -5.947 -1.942 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.017 -7.331 -2.475 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.794 -5.929 -0.419 1.00 0.00 C ATOM 0 H VAL A 127 78.808 -3.684 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 127 81.542 -4.892 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 127 78.609 -5.727 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 127 79.360 -8.081 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 127 79.907 -7.345 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.051 -7.554 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.141 -6.683 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.829 -6.146 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.520 -4.945 -0.038 1.00 0.00 H new ATOM 1522 N GLU A 128 81.967 -5.415 -4.471 1.00 0.00 N ATOM 1523 CA GLU A 128 82.194 -5.638 -5.914 1.00 0.00 C ATOM 1524 C GLU A 128 83.356 -6.600 -6.138 1.00 0.00 C ATOM 1525 O GLU A 128 84.492 -6.225 -6.163 1.00 0.00 O ATOM 1526 CB GLU A 128 82.528 -4.257 -6.480 1.00 0.00 C ATOM 1527 CG GLU A 128 81.797 -4.063 -7.810 1.00 0.00 C ATOM 1528 CD GLU A 128 82.580 -3.079 -8.682 1.00 0.00 C ATOM 1529 OE1 GLU A 128 82.322 -1.891 -8.579 1.00 0.00 O ATOM 1530 OE2 GLU A 128 83.425 -3.530 -9.437 1.00 0.00 O ATOM 0 H GLU A 128 82.793 -5.493 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 128 81.324 -6.083 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 128 82.233 -3.481 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 128 83.604 -4.162 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 128 81.694 -5.019 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 128 80.790 -3.686 -7.632 1.00 0.00 H new ATOM 1537 N GLY A 129 83.084 -7.837 -6.289 1.00 0.00 N ATOM 1538 CA GLY A 129 84.180 -8.808 -6.525 1.00 0.00 C ATOM 1539 C GLY A 129 84.182 -9.828 -5.417 1.00 0.00 C ATOM 1540 O GLY A 129 85.048 -9.835 -4.574 1.00 0.00 O ATOM 0 H GLY A 129 82.146 -8.236 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.046 -9.300 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.139 -8.291 -6.562 1.00 0.00 H new ATOM 1544 N ARG A 130 83.220 -10.690 -5.403 1.00 0.00 N ATOM 1545 CA ARG A 130 83.185 -11.705 -4.332 1.00 0.00 C ATOM 1546 C ARG A 130 84.320 -12.712 -4.545 1.00 0.00 C ATOM 1547 O ARG A 130 85.125 -12.566 -5.439 1.00 0.00 O ATOM 1548 CB ARG A 130 81.849 -12.403 -4.484 1.00 0.00 C ATOM 1549 CG ARG A 130 81.463 -13.069 -3.162 1.00 0.00 C ATOM 1550 CD ARG A 130 80.062 -12.613 -2.750 1.00 0.00 C ATOM 1551 NE ARG A 130 79.150 -13.231 -3.754 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.329 -14.180 -3.394 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.694 -15.054 -2.496 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.144 -14.256 -3.935 1.00 0.00 N ATOM 0 H ARG A 130 82.460 -10.737 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 130 83.305 -11.264 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.084 -11.685 -4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.906 -13.150 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.487 -14.154 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.184 -12.809 -2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 130 79.820 -12.943 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.981 -11.526 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 130 79.167 -12.912 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 130 79.621 -14.996 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 130 78.052 -15.795 -2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 130 76.860 -13.574 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.502 -14.997 -3.654 1.00 0.00 H new ATOM 1568 N LYS A 131 84.383 -13.742 -3.748 1.00 0.00 N ATOM 1569 CA LYS A 131 85.465 -14.752 -3.931 1.00 0.00 C ATOM 1570 C LYS A 131 84.884 -16.167 -3.883 1.00 0.00 C ATOM 1571 O LYS A 131 85.037 -16.815 -2.861 1.00 0.00 O ATOM 1572 CB LYS A 131 86.421 -14.525 -2.762 1.00 0.00 C ATOM 1573 CG LYS A 131 87.836 -14.301 -3.297 1.00 0.00 C ATOM 1574 CD LYS A 131 88.847 -14.545 -2.176 1.00 0.00 C ATOM 1575 CE LYS A 131 90.261 -14.564 -2.760 1.00 0.00 C ATOM 1576 NZ LYS A 131 90.964 -13.433 -2.091 1.00 0.00 N ATOM 1577 OXT LYS A 131 84.298 -16.578 -4.871 1.00 0.00 O ATOM 0 H LYS A 131 83.736 -13.929 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 131 85.966 -14.649 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.100 -13.662 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.406 -15.386 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 131 88.032 -14.974 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 131 87.936 -13.284 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 131 88.764 -13.763 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 131 88.634 -15.492 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 131 90.759 -15.513 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 131 90.244 -14.435 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 91.943 -13.378 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 90.471 -12.543 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 90.970 -13.587 -1.063 1.00 0.00 H new