USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 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 60 SER OG : rot 50:sc= -0.69! USER MOD Set 1.2: A 62 MET CE :methyl -157:sc= -8.31! (180deg=-9.16!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -151:sc= -3.23! (180deg=-4.39!) USER MOD Set 2.2: A 106 MET CE :methyl 148:sc= -1.32 (180deg=-3.53!) USER MOD Set 3.1: A 57 LYS NZ :NH3+ -109:sc= 0.478 (180deg=0) USER MOD Set 3.2: A 71 TYR OH : rot 30:sc= 0.672 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.321 F(o=-1.4,f=-0.32) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -2.64! (180deg=-3.41!) USER MOD Single : A 42 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-12!) USER MOD Single : A 45 CYS SG : rot -10:sc= -6.33! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -7.57! C(o=-7.6!,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0192) USER MOD Single : A 52 MET CE :methyl 158:sc= -16! (180deg=-19.3!) USER MOD Single : A 55 MET CE :methyl -153:sc= -7.91! (180deg=-10.9!) USER MOD Single : A 65 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.1) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.38! C(o=-4.2!,f=-2.4!) USER MOD Single : A 72 SER OG : rot -169:sc= -0.933! 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= 0.039 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0716 (180deg=-0.317) USER MOD Single : A 95 GLN : amide:sc= -9.07! C(o=-9.1!,f=-9.3!) USER MOD Single : A 104 SER OG : rot -94:sc= -0.0613 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 61:sc= 0.569 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= -27.5! C(o=-28!,f=-32!) USER MOD Single : A 126 MET CE :methyl 155:sc= -2.54 (180deg=-5.2!) USER MOD Single : A 131 LYS NZ :NH3+ 148:sc= 0.0101 (180deg=-0.518) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 85.827 -16.514 -0.084 1.00 0.00 N ATOM 86 CA ASN A 36 84.673 -15.581 0.043 1.00 0.00 C ATOM 87 C ASN A 36 85.142 -14.223 0.555 1.00 0.00 C ATOM 88 O ASN A 36 85.263 -13.999 1.742 1.00 0.00 O ATOM 89 CB ASN A 36 83.733 -16.222 1.052 1.00 0.00 C ATOM 90 CG ASN A 36 83.494 -17.686 0.680 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.725 -18.086 -0.541 1.00 0.00 O flip ATOM 92 ND2 ASN A 36 83.089 -18.476 1.510 1.00 0.00 N flip ATOM 0 HA ASN A 36 84.185 -15.415 -0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.160 -16.157 2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 36 82.786 -15.683 1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 36 82.908 -18.165 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 36 82.930 -19.450 1.252 1.00 0.00 H new ATOM 99 N ALA A 37 85.393 -13.320 -0.338 1.00 0.00 N ATOM 100 CA ALA A 37 85.851 -11.960 0.063 1.00 0.00 C ATOM 101 C ALA A 37 85.297 -10.926 -0.919 1.00 0.00 C ATOM 102 O ALA A 37 85.685 -10.885 -2.067 1.00 0.00 O ATOM 103 CB ALA A 37 87.377 -12.015 -0.015 1.00 0.00 C ATOM 0 H ALA A 37 85.301 -13.462 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 37 85.511 -11.677 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.791 -11.047 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.749 -12.781 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.681 -12.257 -1.034 1.00 0.00 H new ATOM 109 N VAL A 38 84.380 -10.107 -0.484 1.00 0.00 N ATOM 110 CA VAL A 38 83.789 -9.093 -1.405 1.00 0.00 C ATOM 111 C VAL A 38 84.584 -7.783 -1.370 1.00 0.00 C ATOM 112 O VAL A 38 85.135 -7.426 -0.347 1.00 0.00 O ATOM 113 CB VAL A 38 82.381 -8.864 -0.866 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.613 -10.188 -0.865 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.462 -8.319 0.560 1.00 0.00 C ATOM 0 H VAL A 38 84.014 -10.095 0.468 1.00 0.00 H new ATOM 0 HA VAL A 38 83.798 -9.432 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 38 81.863 -8.144 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.607 -10.025 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.554 -10.575 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.131 -10.909 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.455 -8.155 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.981 -9.037 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.008 -7.375 0.558 1.00 0.00 H new ATOM 125 N LYS A 39 84.641 -7.034 -2.455 1.00 0.00 N ATOM 126 CA LYS A 39 85.387 -5.758 -2.395 1.00 0.00 C ATOM 127 C LYS A 39 84.400 -4.669 -1.954 1.00 0.00 C ATOM 128 O LYS A 39 83.678 -4.107 -2.752 1.00 0.00 O ATOM 129 CB LYS A 39 85.874 -5.564 -3.826 1.00 0.00 C ATOM 130 CG LYS A 39 87.389 -5.354 -3.837 1.00 0.00 C ATOM 131 CD LYS A 39 87.768 -4.317 -2.779 1.00 0.00 C ATOM 132 CE LYS A 39 89.171 -3.781 -3.073 1.00 0.00 C ATOM 133 NZ LYS A 39 89.020 -2.299 -3.096 1.00 0.00 N ATOM 0 H LYS A 39 84.210 -7.256 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 39 86.223 -5.732 -1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.614 -6.434 -4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.376 -4.705 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.899 -6.296 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.713 -5.019 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.047 -3.500 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.739 -4.766 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.881 -4.094 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.545 -4.155 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.958 -1.854 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.555 -2.011 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.441 -1.996 -2.286 1.00 0.00 H new ATOM 147 N VAL A 40 84.315 -4.434 -0.667 1.00 0.00 N ATOM 148 CA VAL A 40 83.314 -3.454 -0.141 1.00 0.00 C ATOM 149 C VAL A 40 83.879 -2.049 0.107 1.00 0.00 C ATOM 150 O VAL A 40 85.030 -1.865 0.448 1.00 0.00 O ATOM 151 CB VAL A 40 82.852 -4.064 1.183 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.919 -3.835 2.257 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.543 -3.407 1.617 1.00 0.00 C ATOM 0 H VAL A 40 84.897 -4.879 0.043 1.00 0.00 H new ATOM 0 HA VAL A 40 82.519 -3.305 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 40 82.697 -5.135 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.586 -4.271 3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.852 -4.306 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.079 -2.765 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.213 -3.841 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.699 -2.336 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.782 -3.574 0.855 1.00 0.00 H new ATOM 163 N ARG A 41 83.027 -1.061 -0.034 1.00 0.00 N ATOM 164 CA ARG A 41 83.424 0.362 0.221 1.00 0.00 C ATOM 165 C ARG A 41 82.391 0.994 1.172 1.00 0.00 C ATOM 166 O ARG A 41 81.242 0.596 1.176 1.00 0.00 O ATOM 167 CB ARG A 41 83.377 1.041 -1.148 1.00 0.00 C ATOM 168 CG ARG A 41 84.395 0.385 -2.082 1.00 0.00 C ATOM 169 CD ARG A 41 84.508 1.207 -3.367 1.00 0.00 C ATOM 170 NE ARG A 41 84.755 0.205 -4.441 1.00 0.00 N ATOM 171 CZ ARG A 41 85.446 0.537 -5.498 1.00 0.00 C ATOM 172 NH1 ARG A 41 86.718 0.808 -5.387 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.865 0.599 -6.665 1.00 0.00 N ATOM 0 H ARG A 41 82.056 -1.183 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 41 84.409 0.458 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.376 0.960 -1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.595 2.104 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.366 0.321 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 41 84.087 -0.634 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.595 1.772 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.323 1.928 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 41 84.384 -0.741 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 41 87.172 0.760 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 41 87.258 1.067 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 41 83.871 0.388 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 41 85.405 0.858 -7.490 1.00 0.00 H new ATOM 187 N HIS A 42 82.764 1.949 1.997 1.00 0.00 N ATOM 188 CA HIS A 42 81.737 2.523 2.928 1.00 0.00 C ATOM 189 C HIS A 42 81.751 4.065 2.979 1.00 0.00 C ATOM 190 O HIS A 42 82.773 4.690 3.188 1.00 0.00 O ATOM 191 CB HIS A 42 82.073 1.904 4.297 1.00 0.00 C ATOM 192 CG HIS A 42 82.684 2.923 5.229 1.00 0.00 C ATOM 193 ND1 HIS A 42 82.021 3.383 6.355 1.00 0.00 N ATOM 194 CD2 HIS A 42 83.890 3.579 5.211 1.00 0.00 C ATOM 195 CE1 HIS A 42 82.823 4.275 6.963 1.00 0.00 C ATOM 196 NE2 HIS A 42 83.976 4.432 6.307 1.00 0.00 N ATOM 0 H HIS A 42 83.702 2.344 2.066 1.00 0.00 H new ATOM 0 HA HIS A 42 80.727 2.285 2.594 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.167 1.496 4.745 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.764 1.072 4.162 1.00 0.00 H new ATOM 0 HD1 HIS A 42 81.093 3.097 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.656 3.452 4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 42 82.566 4.800 7.871 1.00 0.00 H new ATOM 204 N ILE A 43 80.599 4.666 2.807 1.00 0.00 N ATOM 205 CA ILE A 43 80.484 6.167 2.863 1.00 0.00 C ATOM 206 C ILE A 43 79.526 6.575 4.006 1.00 0.00 C ATOM 207 O ILE A 43 78.341 6.325 3.934 1.00 0.00 O ATOM 208 CB ILE A 43 79.918 6.580 1.486 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.044 7.134 0.615 1.00 0.00 C ATOM 210 CG2 ILE A 43 78.843 7.665 1.635 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.509 7.398 -0.793 1.00 0.00 C ATOM 0 H ILE A 43 79.721 4.179 2.628 1.00 0.00 H new ATOM 0 HA ILE A 43 81.438 6.655 3.061 1.00 0.00 H new ATOM 0 HB ILE A 43 79.475 5.697 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.434 8.056 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.871 6.425 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.462 7.937 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.026 7.286 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 43 79.277 8.544 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.309 7.794 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.140 6.467 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.696 8.122 -0.743 1.00 0.00 H new ATOM 223 N LEU A 44 80.019 7.201 5.052 1.00 0.00 N ATOM 224 CA LEU A 44 79.113 7.599 6.184 1.00 0.00 C ATOM 225 C LEU A 44 78.574 9.015 6.014 1.00 0.00 C ATOM 226 O LEU A 44 79.225 9.882 5.475 1.00 0.00 O ATOM 227 CB LEU A 44 79.985 7.614 7.446 1.00 0.00 C ATOM 228 CG LEU A 44 79.854 6.366 8.328 1.00 0.00 C ATOM 229 CD1 LEU A 44 79.616 6.813 9.771 1.00 0.00 C ATOM 230 CD2 LEU A 44 78.690 5.485 7.901 1.00 0.00 C ATOM 0 H LEU A 44 81.000 7.452 5.172 1.00 0.00 H new ATOM 0 HA LEU A 44 78.273 6.906 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 44 81.028 7.725 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.727 8.491 8.040 1.00 0.00 H new ATOM 0 HG LEU A 44 80.772 5.787 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 44 79.520 5.937 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 44 80.457 7.419 10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 44 78.700 7.402 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 44 78.635 4.613 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 44 77.761 6.050 7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 78.839 5.159 6.872 1.00 0.00 H new ATOM 242 N CYS A 45 77.404 9.257 6.529 1.00 0.00 N ATOM 243 CA CYS A 45 76.823 10.620 6.465 1.00 0.00 C ATOM 244 C CYS A 45 76.096 10.916 7.779 1.00 0.00 C ATOM 245 O CYS A 45 74.887 10.942 7.843 1.00 0.00 O ATOM 246 CB CYS A 45 75.860 10.585 5.289 1.00 0.00 C ATOM 247 SG CYS A 45 76.809 10.239 3.789 1.00 0.00 S ATOM 0 H CYS A 45 76.822 8.562 6.995 1.00 0.00 H new ATOM 0 HA CYS A 45 77.571 11.401 6.331 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.100 9.819 5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.338 11.537 5.197 1.00 0.00 H new ATOM 0 HG CYS A 45 78.080 10.319 4.051 1.00 0.00 H new ATOM 253 N GLU A 46 76.839 11.122 8.832 1.00 0.00 N ATOM 254 CA GLU A 46 76.217 11.404 10.161 1.00 0.00 C ATOM 255 C GLU A 46 74.982 12.302 10.018 1.00 0.00 C ATOM 256 O GLU A 46 74.084 12.263 10.836 1.00 0.00 O ATOM 257 CB GLU A 46 77.308 12.122 10.957 1.00 0.00 C ATOM 258 CG GLU A 46 76.874 12.253 12.419 1.00 0.00 C ATOM 259 CD GLU A 46 77.836 11.462 13.308 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.012 11.788 13.311 1.00 0.00 O ATOM 261 OE2 GLU A 46 77.381 10.545 13.971 1.00 0.00 O ATOM 0 H GLU A 46 77.859 11.107 8.830 1.00 0.00 H new ATOM 0 HA GLU A 46 75.875 10.491 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.244 11.567 10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.493 13.109 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 46 76.867 13.302 12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 46 75.857 11.880 12.543 1.00 0.00 H new ATOM 268 N LYS A 47 74.924 13.112 8.996 1.00 0.00 N ATOM 269 CA LYS A 47 73.739 14.004 8.827 1.00 0.00 C ATOM 270 C LYS A 47 72.895 13.547 7.634 1.00 0.00 C ATOM 271 O LYS A 47 71.854 14.103 7.348 1.00 0.00 O ATOM 272 CB LYS A 47 74.323 15.394 8.574 1.00 0.00 C ATOM 273 CG LYS A 47 75.398 15.307 7.490 1.00 0.00 C ATOM 274 CD LYS A 47 75.304 16.536 6.584 1.00 0.00 C ATOM 275 CE LYS A 47 76.328 17.581 7.033 1.00 0.00 C ATOM 276 NZ LYS A 47 75.523 18.637 7.708 1.00 0.00 N ATOM 0 H LYS A 47 75.640 13.195 8.275 1.00 0.00 H new ATOM 0 HA LYS A 47 73.084 13.990 9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.535 16.080 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.751 15.793 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.387 15.252 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 47 75.266 14.398 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.489 16.252 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.299 16.955 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.062 17.149 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 47 76.879 17.986 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 76.154 19.392 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 74.837 19.034 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.015 18.223 8.516 1.00 0.00 H new ATOM 290 N HIS A 48 73.342 12.537 6.938 1.00 0.00 N ATOM 291 CA HIS A 48 72.578 12.029 5.765 1.00 0.00 C ATOM 292 C HIS A 48 72.407 13.132 4.718 1.00 0.00 C ATOM 293 O HIS A 48 71.648 12.999 3.779 1.00 0.00 O ATOM 294 CB HIS A 48 71.232 11.587 6.337 1.00 0.00 C ATOM 295 CG HIS A 48 71.472 10.509 7.359 1.00 0.00 C ATOM 296 ND1 HIS A 48 72.718 9.923 7.529 1.00 0.00 N ATOM 297 CD2 HIS A 48 70.647 9.907 8.275 1.00 0.00 C ATOM 298 CE1 HIS A 48 72.611 9.014 8.514 1.00 0.00 C ATOM 299 NE2 HIS A 48 71.368 8.961 9.003 1.00 0.00 N ATOM 0 H HIS A 48 74.210 12.039 7.134 1.00 0.00 H new ATOM 0 HA HIS A 48 73.087 11.209 5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 48 70.720 12.433 6.794 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.587 11.216 5.541 1.00 0.00 H new ATOM 0 HD1 HIS A 48 73.563 10.142 7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 48 69.599 10.131 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.428 8.402 8.867 1.00 0.00 H new ATOM 307 N GLY A 49 73.127 14.211 4.859 1.00 0.00 N ATOM 308 CA GLY A 49 73.027 15.307 3.858 1.00 0.00 C ATOM 309 C GLY A 49 73.949 14.970 2.689 1.00 0.00 C ATOM 310 O GLY A 49 73.659 15.262 1.545 1.00 0.00 O ATOM 0 H GLY A 49 73.780 14.380 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.999 15.414 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.313 16.259 4.306 1.00 0.00 H new ATOM 314 N LYS A 50 75.054 14.335 2.972 1.00 0.00 N ATOM 315 CA LYS A 50 75.997 13.951 1.885 1.00 0.00 C ATOM 316 C LYS A 50 75.647 12.558 1.384 1.00 0.00 C ATOM 317 O LYS A 50 75.931 12.212 0.260 1.00 0.00 O ATOM 318 CB LYS A 50 77.387 13.951 2.520 1.00 0.00 C ATOM 319 CG LYS A 50 77.621 15.272 3.250 1.00 0.00 C ATOM 320 CD LYS A 50 77.551 15.029 4.757 1.00 0.00 C ATOM 321 CE LYS A 50 78.882 14.449 5.238 1.00 0.00 C ATOM 322 NZ LYS A 50 78.918 14.747 6.697 1.00 0.00 N ATOM 0 H LYS A 50 75.344 14.065 3.912 1.00 0.00 H new ATOM 0 HA LYS A 50 75.949 14.634 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.479 13.118 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 50 78.148 13.809 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.594 15.684 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.871 16.005 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 50 77.339 15.963 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.737 14.342 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.937 13.377 5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.724 14.907 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.831 14.442 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 78.801 15.770 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.147 14.238 7.174 1.00 0.00 H new ATOM 336 N ILE A 51 75.028 11.753 2.203 1.00 0.00 N ATOM 337 CA ILE A 51 74.668 10.386 1.741 1.00 0.00 C ATOM 338 C ILE A 51 74.053 10.482 0.354 1.00 0.00 C ATOM 339 O ILE A 51 74.242 9.622 -0.482 1.00 0.00 O ATOM 340 CB ILE A 51 73.668 9.849 2.765 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.442 8.360 2.512 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.338 10.593 2.639 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.629 7.568 3.068 1.00 0.00 C ATOM 0 H ILE A 51 74.759 11.980 3.160 1.00 0.00 H new ATOM 0 HA ILE A 51 75.529 9.721 1.669 1.00 0.00 H new ATOM 0 HB ILE A 51 74.066 9.999 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.517 8.034 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.333 8.173 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.632 10.203 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.498 11.656 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.935 10.450 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.472 6.504 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.545 7.888 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.716 7.747 4.140 1.00 0.00 H new ATOM 355 N MET A 52 73.349 11.543 0.088 1.00 0.00 N ATOM 356 CA MET A 52 72.764 11.707 -1.261 1.00 0.00 C ATOM 357 C MET A 52 73.831 12.276 -2.180 1.00 0.00 C ATOM 358 O MET A 52 74.088 11.769 -3.252 1.00 0.00 O ATOM 359 CB MET A 52 71.607 12.688 -1.091 1.00 0.00 C ATOM 360 CG MET A 52 70.319 12.043 -1.598 1.00 0.00 C ATOM 361 SD MET A 52 70.017 12.560 -3.307 1.00 0.00 S ATOM 362 CE MET A 52 71.665 12.185 -3.957 1.00 0.00 C ATOM 0 H MET A 52 73.156 12.299 0.745 1.00 0.00 H new ATOM 0 HA MET A 52 72.413 10.770 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.500 12.964 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.809 13.606 -1.643 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.398 10.957 -1.544 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.480 12.334 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.609 12.053 -5.037 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.343 13.007 -3.727 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.037 11.269 -3.498 1.00 0.00 H new ATOM 372 N GLU A 53 74.493 13.296 -1.741 1.00 0.00 N ATOM 373 CA GLU A 53 75.581 13.867 -2.556 1.00 0.00 C ATOM 374 C GLU A 53 76.525 12.726 -2.868 1.00 0.00 C ATOM 375 O GLU A 53 77.165 12.681 -3.897 1.00 0.00 O ATOM 376 CB GLU A 53 76.253 14.918 -1.673 1.00 0.00 C ATOM 377 CG GLU A 53 76.236 16.264 -2.396 1.00 0.00 C ATOM 378 CD GLU A 53 75.753 17.352 -1.437 1.00 0.00 C ATOM 379 OE1 GLU A 53 75.970 17.203 -0.246 1.00 0.00 O ATOM 380 OE2 GLU A 53 75.173 18.315 -1.909 1.00 0.00 O ATOM 0 H GLU A 53 74.326 13.761 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 53 75.252 14.325 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.731 14.997 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 53 77.279 14.623 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 53 77.234 16.504 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 53 75.581 16.214 -3.265 1.00 0.00 H new ATOM 387 N ALA A 54 76.579 11.775 -1.980 1.00 0.00 N ATOM 388 CA ALA A 54 77.445 10.599 -2.214 1.00 0.00 C ATOM 389 C ALA A 54 76.714 9.672 -3.171 1.00 0.00 C ATOM 390 O ALA A 54 77.311 8.991 -3.974 1.00 0.00 O ATOM 391 CB ALA A 54 77.621 9.939 -0.844 1.00 0.00 C ATOM 0 H ALA A 54 76.059 11.765 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 54 78.414 10.850 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.254 9.058 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 54 78.087 10.645 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.647 9.644 -0.455 1.00 0.00 H new ATOM 397 N MET A 55 75.410 9.661 -3.096 1.00 0.00 N ATOM 398 CA MET A 55 74.625 8.785 -4.018 1.00 0.00 C ATOM 399 C MET A 55 74.540 9.429 -5.406 1.00 0.00 C ATOM 400 O MET A 55 74.729 8.779 -6.416 1.00 0.00 O ATOM 401 CB MET A 55 73.236 8.680 -3.392 1.00 0.00 C ATOM 402 CG MET A 55 73.212 7.531 -2.381 1.00 0.00 C ATOM 403 SD MET A 55 71.516 6.924 -2.197 1.00 0.00 S ATOM 404 CE MET A 55 71.552 6.674 -0.404 1.00 0.00 C ATOM 0 H MET A 55 74.857 10.215 -2.442 1.00 0.00 H new ATOM 0 HA MET A 55 75.085 7.805 -4.145 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.977 9.617 -2.899 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.489 8.511 -4.167 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.864 6.724 -2.716 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.594 7.871 -1.419 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.842 5.893 -0.131 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.555 6.375 -0.098 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.281 7.603 0.098 1.00 0.00 H new ATOM 414 N GLU A 56 74.258 10.702 -5.462 1.00 0.00 N ATOM 415 CA GLU A 56 74.163 11.389 -6.781 1.00 0.00 C ATOM 416 C GLU A 56 75.555 11.551 -7.394 1.00 0.00 C ATOM 417 O GLU A 56 75.844 11.016 -8.444 1.00 0.00 O ATOM 418 CB GLU A 56 73.550 12.757 -6.477 1.00 0.00 C ATOM 419 CG GLU A 56 72.230 12.905 -7.237 1.00 0.00 C ATOM 420 CD GLU A 56 71.599 14.260 -6.911 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.242 15.265 -7.159 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.483 14.268 -6.418 1.00 0.00 O ATOM 0 H GLU A 56 74.089 11.296 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 56 73.564 10.825 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.379 12.861 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 56 74.240 13.549 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 56 72.405 12.823 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.549 12.100 -6.963 1.00 0.00 H new ATOM 429 N LYS A 57 76.422 12.283 -6.745 1.00 0.00 N ATOM 430 CA LYS A 57 77.793 12.471 -7.299 1.00 0.00 C ATOM 431 C LYS A 57 78.328 11.133 -7.817 1.00 0.00 C ATOM 432 O LYS A 57 78.582 10.979 -8.995 1.00 0.00 O ATOM 433 CB LYS A 57 78.637 12.988 -6.133 1.00 0.00 C ATOM 434 CG LYS A 57 78.057 14.317 -5.639 1.00 0.00 C ATOM 435 CD LYS A 57 78.791 15.478 -6.309 1.00 0.00 C ATOM 436 CE LYS A 57 79.971 15.910 -5.435 1.00 0.00 C ATOM 437 NZ LYS A 57 79.769 17.372 -5.219 1.00 0.00 N ATOM 0 H LYS A 57 76.241 12.756 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 57 77.813 13.168 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.645 12.258 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.671 13.125 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.992 14.367 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.156 14.388 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.146 15.177 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.109 16.315 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.982 15.368 -4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.922 15.711 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.485 17.904 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.820 17.643 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.861 17.589 -4.206 1.00 0.00 H new ATOM 451 N LEU A 58 78.489 10.156 -6.961 1.00 0.00 N ATOM 452 CA LEU A 58 78.987 8.837 -7.447 1.00 0.00 C ATOM 453 C LEU A 58 78.229 8.449 -8.720 1.00 0.00 C ATOM 454 O LEU A 58 78.789 7.906 -9.652 1.00 0.00 O ATOM 455 CB LEU A 58 78.675 7.840 -6.328 1.00 0.00 C ATOM 456 CG LEU A 58 79.889 7.695 -5.402 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.857 8.773 -4.317 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.859 6.315 -4.736 1.00 0.00 C ATOM 0 H LEU A 58 78.300 10.214 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 58 80.052 8.858 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.811 8.180 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.415 6.871 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 58 80.799 7.806 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.724 8.660 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.879 9.758 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.945 8.670 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.721 6.210 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.943 6.212 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.891 5.540 -5.502 1.00 0.00 H new ATOM 470 N LYS A 59 76.952 8.731 -8.762 1.00 0.00 N ATOM 471 CA LYS A 59 76.140 8.387 -9.966 1.00 0.00 C ATOM 472 C LYS A 59 76.413 9.381 -11.097 1.00 0.00 C ATOM 473 O LYS A 59 77.034 9.049 -12.087 1.00 0.00 O ATOM 474 CB LYS A 59 74.688 8.497 -9.501 1.00 0.00 C ATOM 475 CG LYS A 59 74.173 7.112 -9.108 1.00 0.00 C ATOM 476 CD LYS A 59 72.846 6.843 -9.821 1.00 0.00 C ATOM 477 CE LYS A 59 72.951 5.547 -10.627 1.00 0.00 C ATOM 478 NZ LYS A 59 72.879 4.460 -9.611 1.00 0.00 N ATOM 0 H LYS A 59 76.435 9.187 -8.010 1.00 0.00 H new ATOM 0 HA LYS A 59 76.377 7.396 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.617 9.177 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.071 8.914 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.904 6.350 -9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.036 7.055 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.039 6.766 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.601 7.675 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 59 72.141 5.465 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 59 73.885 5.504 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 73.407 3.631 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 73.294 4.792 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.885 4.197 -9.454 1.00 0.00 H new ATOM 492 N SER A 60 75.943 10.595 -10.960 1.00 0.00 N ATOM 493 CA SER A 60 76.167 11.615 -12.029 1.00 0.00 C ATOM 494 C SER A 60 77.576 11.480 -12.605 1.00 0.00 C ATOM 495 O SER A 60 77.821 11.783 -13.756 1.00 0.00 O ATOM 496 CB SER A 60 76.002 12.971 -11.336 1.00 0.00 C ATOM 497 OG SER A 60 75.717 12.778 -9.959 1.00 0.00 O ATOM 0 H SER A 60 75.413 10.924 -10.153 1.00 0.00 H new ATOM 0 HA SER A 60 75.470 11.495 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.912 13.560 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.197 13.535 -11.807 1.00 0.00 H new ATOM 0 HG SER A 60 76.365 12.151 -9.575 1.00 0.00 H new ATOM 503 N GLY A 61 78.506 11.021 -11.814 1.00 0.00 N ATOM 504 CA GLY A 61 79.897 10.862 -12.315 1.00 0.00 C ATOM 505 C GLY A 61 80.766 12.000 -11.780 1.00 0.00 C ATOM 506 O GLY A 61 81.670 12.467 -12.445 1.00 0.00 O ATOM 0 H GLY A 61 78.361 10.749 -10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.302 9.901 -11.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.905 10.866 -13.405 1.00 0.00 H new ATOM 510 N MET A 62 80.505 12.453 -10.583 1.00 0.00 N ATOM 511 CA MET A 62 81.326 13.557 -10.022 1.00 0.00 C ATOM 512 C MET A 62 82.589 12.992 -9.382 1.00 0.00 C ATOM 513 O MET A 62 83.154 12.022 -9.848 1.00 0.00 O ATOM 514 CB MET A 62 80.440 14.217 -8.968 1.00 0.00 C ATOM 515 CG MET A 62 80.544 15.737 -9.101 1.00 0.00 C ATOM 516 SD MET A 62 79.240 16.333 -10.205 1.00 0.00 S ATOM 517 CE MET A 62 77.844 15.966 -9.116 1.00 0.00 C ATOM 0 H MET A 62 79.763 12.107 -9.975 1.00 0.00 H new ATOM 0 HA MET A 62 81.643 14.267 -10.786 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.405 13.899 -9.095 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.749 13.906 -7.970 1.00 0.00 H new ATOM 0 HG2 MET A 62 80.450 16.206 -8.122 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.523 16.013 -9.494 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.936 15.863 -9.710 1.00 0.00 H new ATOM 0 HE2 MET A 62 78.035 15.036 -8.581 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.719 16.777 -8.399 1.00 0.00 H new ATOM 527 N ARG A 63 83.040 13.590 -8.319 1.00 0.00 N ATOM 528 CA ARG A 63 84.269 13.086 -7.652 1.00 0.00 C ATOM 529 C ARG A 63 83.994 11.769 -6.938 1.00 0.00 C ATOM 530 O ARG A 63 83.129 11.687 -6.090 1.00 0.00 O ATOM 531 CB ARG A 63 84.620 14.138 -6.613 1.00 0.00 C ATOM 532 CG ARG A 63 84.963 15.457 -7.291 1.00 0.00 C ATOM 533 CD ARG A 63 84.678 16.601 -6.314 1.00 0.00 C ATOM 534 NE ARG A 63 85.969 17.339 -6.197 1.00 0.00 N ATOM 535 CZ ARG A 63 86.068 18.353 -5.382 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.349 18.389 -4.294 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.888 19.333 -5.656 1.00 0.00 N ATOM 0 H ARG A 63 82.611 14.406 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 63 85.067 12.915 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.781 14.279 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.465 13.799 -6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.011 15.467 -7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.372 15.580 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.885 17.250 -6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.351 16.221 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 63 86.774 17.051 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.709 17.624 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.427 19.182 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.450 19.305 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.966 20.126 -5.019 1.00 0.00 H new ATOM 551 N PHE A 64 84.739 10.748 -7.237 1.00 0.00 N ATOM 552 CA PHE A 64 84.529 9.470 -6.530 1.00 0.00 C ATOM 553 C PHE A 64 85.420 9.467 -5.288 1.00 0.00 C ATOM 554 O PHE A 64 85.102 8.881 -4.274 1.00 0.00 O ATOM 555 CB PHE A 64 84.969 8.384 -7.515 1.00 0.00 C ATOM 556 CG PHE A 64 83.878 8.132 -8.529 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.606 7.726 -8.106 1.00 0.00 C ATOM 558 CD2 PHE A 64 84.141 8.296 -9.894 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.598 7.486 -9.049 1.00 0.00 C ATOM 560 CE2 PHE A 64 83.135 8.055 -10.836 1.00 0.00 C ATOM 561 CZ PHE A 64 81.862 7.651 -10.413 1.00 0.00 C ATOM 0 H PHE A 64 85.480 10.746 -7.938 1.00 0.00 H new ATOM 0 HA PHE A 64 83.498 9.312 -6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.884 8.691 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.196 7.464 -6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.402 7.598 -7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 64 85.122 8.609 -10.220 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.617 7.174 -8.723 1.00 0.00 H new ATOM 0 HE2 PHE A 64 83.340 8.180 -11.889 1.00 0.00 H new ATOM 0 HZ PHE A 64 81.085 7.467 -11.140 1.00 0.00 H new ATOM 571 N ASN A 65 86.544 10.129 -5.367 1.00 0.00 N ATOM 572 CA ASN A 65 87.469 10.176 -4.199 1.00 0.00 C ATOM 573 C ASN A 65 87.165 11.375 -3.299 1.00 0.00 C ATOM 574 O ASN A 65 87.288 11.295 -2.094 1.00 0.00 O ATOM 575 CB ASN A 65 88.868 10.298 -4.801 1.00 0.00 C ATOM 576 CG ASN A 65 89.902 10.348 -3.673 1.00 0.00 C ATOM 577 OD1 ASN A 65 90.069 11.367 -3.032 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.606 9.283 -3.400 1.00 0.00 N ATOM 0 H ASN A 65 86.861 10.639 -6.191 1.00 0.00 H new ATOM 0 HA ASN A 65 87.366 9.290 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.069 9.451 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.936 11.198 -5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.296 9.306 -2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 65 90.466 8.428 -3.938 1.00 0.00 H new ATOM 585 N GLU A 66 86.773 12.488 -3.860 1.00 0.00 N ATOM 586 CA GLU A 66 86.474 13.666 -3.000 1.00 0.00 C ATOM 587 C GLU A 66 85.252 13.350 -2.155 1.00 0.00 C ATOM 588 O GLU A 66 85.244 13.549 -0.957 1.00 0.00 O ATOM 589 CB GLU A 66 86.198 14.827 -3.952 1.00 0.00 C ATOM 590 CG GLU A 66 87.314 14.910 -4.996 1.00 0.00 C ATOM 591 CD GLU A 66 88.188 16.134 -4.714 1.00 0.00 C ATOM 592 OE1 GLU A 66 87.938 16.802 -3.725 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.095 16.381 -5.492 1.00 0.00 O ATOM 0 H GLU A 66 86.649 12.630 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 66 87.294 13.915 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.236 14.686 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.137 15.762 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.919 14.004 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.886 14.978 -5.996 1.00 0.00 H new ATOM 600 N VAL A 67 84.225 12.832 -2.765 1.00 0.00 N ATOM 601 CA VAL A 67 83.028 12.478 -1.975 1.00 0.00 C ATOM 602 C VAL A 67 83.415 11.392 -0.970 1.00 0.00 C ATOM 603 O VAL A 67 83.235 11.538 0.221 1.00 0.00 O ATOM 604 CB VAL A 67 81.995 11.936 -2.970 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.584 13.023 -3.948 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.582 10.772 -3.748 1.00 0.00 C ATOM 0 H VAL A 67 84.167 12.642 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 67 82.625 13.331 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 67 81.122 11.602 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.850 12.624 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.147 13.858 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.460 13.368 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.841 10.394 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.463 11.107 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.864 9.978 -3.057 1.00 0.00 H new ATOM 616 N ALA A 68 83.991 10.312 -1.433 1.00 0.00 N ATOM 617 CA ALA A 68 84.401 9.250 -0.488 1.00 0.00 C ATOM 618 C ALA A 68 85.241 9.900 0.585 1.00 0.00 C ATOM 619 O ALA A 68 85.176 9.555 1.747 1.00 0.00 O ATOM 620 CB ALA A 68 85.228 8.265 -1.315 1.00 0.00 C ATOM 0 H ALA A 68 84.190 10.127 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 68 83.566 8.737 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.566 7.449 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.616 7.864 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.092 8.779 -1.736 1.00 0.00 H new ATOM 626 N ALA A 69 86.010 10.870 0.198 1.00 0.00 N ATOM 627 CA ALA A 69 86.834 11.573 1.191 1.00 0.00 C ATOM 628 C ALA A 69 85.940 12.024 2.340 1.00 0.00 C ATOM 629 O ALA A 69 85.896 11.394 3.379 1.00 0.00 O ATOM 630 CB ALA A 69 87.428 12.775 0.455 1.00 0.00 C ATOM 0 H ALA A 69 86.100 11.202 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 69 87.622 10.947 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 69 88.056 13.346 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 69 88.029 12.427 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.623 13.410 0.086 1.00 0.00 H new ATOM 636 N GLN A 70 85.229 13.111 2.186 1.00 0.00 N ATOM 637 CA GLN A 70 84.367 13.551 3.324 1.00 0.00 C ATOM 638 C GLN A 70 82.944 13.024 3.281 1.00 0.00 C ATOM 639 O GLN A 70 82.393 12.686 4.310 1.00 0.00 O ATOM 640 CB GLN A 70 84.321 15.071 3.339 1.00 0.00 C ATOM 641 CG GLN A 70 85.229 15.614 4.462 1.00 0.00 C ATOM 642 CD GLN A 70 85.158 14.724 5.733 1.00 0.00 C ATOM 643 OE1 GLN A 70 84.100 13.968 5.972 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 86.083 14.719 6.522 1.00 0.00 N flip ATOM 0 H GLN A 70 85.206 13.697 1.351 1.00 0.00 H new ATOM 0 HA GLN A 70 84.818 13.137 4.226 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.646 15.463 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.297 15.411 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.259 15.662 4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.930 16.632 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 70 86.905 15.298 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 70 86.037 14.136 7.358 1.00 0.00 H new ATOM 653 N TYR A 71 82.307 13.017 2.133 1.00 0.00 N ATOM 654 CA TYR A 71 80.878 12.575 2.098 1.00 0.00 C ATOM 655 C TYR A 71 80.732 11.383 3.033 1.00 0.00 C ATOM 656 O TYR A 71 79.726 11.207 3.686 1.00 0.00 O ATOM 657 CB TYR A 71 80.545 12.259 0.642 1.00 0.00 C ATOM 658 CG TYR A 71 80.440 13.558 -0.146 1.00 0.00 C ATOM 659 CD1 TYR A 71 81.083 14.742 0.294 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.688 13.581 -1.326 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.962 15.919 -0.453 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.572 14.764 -2.066 1.00 0.00 C ATOM 663 CZ TYR A 71 80.209 15.930 -1.631 1.00 0.00 C ATOM 664 OH TYR A 71 80.093 17.092 -2.365 1.00 0.00 O ATOM 0 H TYR A 71 82.706 13.293 1.236 1.00 0.00 H new ATOM 0 HA TYR A 71 80.177 13.335 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.316 11.621 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.606 11.708 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.665 14.736 1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.195 12.683 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 71 81.452 16.822 -0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.989 14.776 -2.975 1.00 0.00 H new ATOM 0 HH TYR A 71 80.900 17.635 -2.247 1.00 0.00 H new ATOM 674 N SER A 72 81.788 10.631 3.169 1.00 0.00 N ATOM 675 CA SER A 72 81.798 9.514 4.147 1.00 0.00 C ATOM 676 C SER A 72 82.408 10.056 5.443 1.00 0.00 C ATOM 677 O SER A 72 83.607 10.227 5.539 1.00 0.00 O ATOM 678 CB SER A 72 82.723 8.465 3.549 1.00 0.00 C ATOM 679 OG SER A 72 82.792 7.344 4.418 1.00 0.00 O ATOM 0 H SER A 72 82.651 10.746 2.638 1.00 0.00 H new ATOM 0 HA SER A 72 80.810 9.102 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 72 82.356 8.157 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.718 8.885 3.400 1.00 0.00 H new ATOM 0 HG SER A 72 83.513 6.748 4.126 1.00 0.00 H new ATOM 685 N GLU A 73 81.615 10.358 6.431 1.00 0.00 N ATOM 686 CA GLU A 73 82.186 10.921 7.697 1.00 0.00 C ATOM 687 C GLU A 73 83.015 9.865 8.441 1.00 0.00 C ATOM 688 O GLU A 73 82.840 9.633 9.622 1.00 0.00 O ATOM 689 CB GLU A 73 80.970 11.377 8.524 1.00 0.00 C ATOM 690 CG GLU A 73 80.410 10.220 9.361 1.00 0.00 C ATOM 691 CD GLU A 73 80.708 10.469 10.841 1.00 0.00 C ATOM 692 OE1 GLU A 73 80.602 11.608 11.263 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.038 9.515 11.527 1.00 0.00 O ATOM 0 H GLU A 73 80.602 10.242 6.423 1.00 0.00 H new ATOM 0 HA GLU A 73 82.867 11.750 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.259 12.198 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.195 11.758 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 73 79.335 10.132 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.856 9.278 9.043 1.00 0.00 H new ATOM 700 N ASP A 74 83.929 9.228 7.768 1.00 0.00 N ATOM 701 CA ASP A 74 84.754 8.196 8.461 1.00 0.00 C ATOM 702 C ASP A 74 85.935 7.720 7.600 1.00 0.00 C ATOM 703 O ASP A 74 86.980 8.339 7.575 1.00 0.00 O ATOM 704 CB ASP A 74 83.785 7.042 8.730 1.00 0.00 C ATOM 705 CG ASP A 74 84.532 5.902 9.427 1.00 0.00 C ATOM 706 OD1 ASP A 74 85.577 6.167 9.998 1.00 0.00 O ATOM 707 OD2 ASP A 74 84.048 4.785 9.375 1.00 0.00 O ATOM 0 H ASP A 74 84.141 9.372 6.781 1.00 0.00 H new ATOM 0 HA ASP A 74 85.202 8.595 9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 74 82.959 7.384 9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 74 83.353 6.689 7.793 1.00 0.00 H new ATOM 712 N LYS A 75 85.798 6.602 6.928 1.00 0.00 N ATOM 713 CA LYS A 75 86.938 6.075 6.118 1.00 0.00 C ATOM 714 C LYS A 75 86.650 6.118 4.612 1.00 0.00 C ATOM 715 O LYS A 75 87.283 5.426 3.842 1.00 0.00 O ATOM 716 CB LYS A 75 87.086 4.625 6.578 1.00 0.00 C ATOM 717 CG LYS A 75 88.566 4.285 6.752 1.00 0.00 C ATOM 718 CD LYS A 75 89.304 4.512 5.432 1.00 0.00 C ATOM 719 CE LYS A 75 90.678 3.841 5.497 1.00 0.00 C ATOM 720 NZ LYS A 75 91.564 4.844 6.155 1.00 0.00 N ATOM 0 H LYS A 75 84.950 6.035 6.906 1.00 0.00 H new ATOM 0 HA LYS A 75 87.837 6.673 6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 75 86.556 4.477 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.633 3.954 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 75 89.002 4.905 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.676 3.248 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 75 88.726 4.102 4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 75 89.417 5.580 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 90.638 2.914 6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 75 91.041 3.586 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 92.526 4.457 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 91.587 5.714 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 91.197 5.062 7.104 1.00 0.00 H new ATOM 799 N ASP A 81 87.921 2.798 0.151 1.00 0.00 N ATOM 800 CA ASP A 81 87.741 1.353 -0.193 1.00 0.00 C ATOM 801 C ASP A 81 88.106 0.454 0.994 1.00 0.00 C ATOM 802 O ASP A 81 89.258 0.117 1.194 1.00 0.00 O ATOM 803 CB ASP A 81 88.694 1.125 -1.362 1.00 0.00 C ATOM 804 CG ASP A 81 88.078 0.118 -2.334 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.342 -0.741 -1.878 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.353 0.223 -3.518 1.00 0.00 O ATOM 0 HA ASP A 81 86.708 1.111 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 81 88.890 2.067 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.652 0.755 -0.997 1.00 0.00 H new ATOM 811 N LEU A 82 87.142 0.067 1.790 1.00 0.00 N ATOM 812 CA LEU A 82 87.450 -0.802 2.961 1.00 0.00 C ATOM 813 C LEU A 82 88.453 -1.890 2.572 1.00 0.00 C ATOM 814 O LEU A 82 89.199 -2.383 3.396 1.00 0.00 O ATOM 815 CB LEU A 82 86.111 -1.421 3.352 1.00 0.00 C ATOM 816 CG LEU A 82 85.369 -0.476 4.297 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.084 -0.441 5.650 1.00 0.00 C ATOM 818 CD2 LEU A 82 85.340 0.931 3.700 1.00 0.00 C ATOM 0 H LEU A 82 86.159 0.315 1.679 1.00 0.00 H new ATOM 0 HA LEU A 82 87.899 -0.243 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 82 85.511 -1.607 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 82 86.271 -2.385 3.836 1.00 0.00 H new ATOM 0 HG LEU A 82 84.348 -0.832 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.555 0.233 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.101 -1.443 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 82 87.106 -0.088 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 82 84.810 1.602 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.360 1.288 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 82 84.829 0.907 2.738 1.00 0.00 H new ATOM 830 N GLY A 83 88.483 -2.266 1.324 1.00 0.00 N ATOM 831 CA GLY A 83 89.441 -3.320 0.886 1.00 0.00 C ATOM 832 C GLY A 83 88.758 -4.689 0.945 1.00 0.00 C ATOM 833 O GLY A 83 87.635 -4.815 1.389 1.00 0.00 O ATOM 0 H GLY A 83 87.886 -1.889 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.783 -3.116 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.323 -3.314 1.527 1.00 0.00 H new ATOM 837 N TRP A 84 89.429 -5.714 0.498 1.00 0.00 N ATOM 838 CA TRP A 84 88.822 -7.075 0.524 1.00 0.00 C ATOM 839 C TRP A 84 88.378 -7.434 1.945 1.00 0.00 C ATOM 840 O TRP A 84 89.057 -7.145 2.910 1.00 0.00 O ATOM 841 CB TRP A 84 89.936 -8.007 0.053 1.00 0.00 C ATOM 842 CG TRP A 84 90.022 -7.955 -1.436 1.00 0.00 C ATOM 843 CD1 TRP A 84 91.113 -7.576 -2.132 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.999 -8.282 -2.421 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.827 -7.644 -3.484 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.538 -8.078 -3.713 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.670 -8.734 -2.321 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.785 -8.311 -4.865 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.912 -8.969 -3.479 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.468 -8.758 -4.747 1.00 0.00 C ATOM 0 H TRP A 84 90.373 -5.668 0.115 1.00 0.00 H new ATOM 0 HA TRP A 84 87.935 -7.147 -0.106 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.887 -7.709 0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.737 -9.027 0.382 1.00 0.00 H new ATOM 0 HD1 TRP A 84 92.056 -7.269 -1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.489 -7.403 -4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.231 -8.901 -1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 89.218 -8.147 -5.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.893 -9.315 -3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.878 -8.941 -5.633 1.00 0.00 H new ATOM 861 N MET A 85 87.241 -8.061 2.077 1.00 0.00 N ATOM 862 CA MET A 85 86.750 -8.440 3.434 1.00 0.00 C ATOM 863 C MET A 85 86.031 -9.789 3.371 1.00 0.00 C ATOM 864 O MET A 85 85.151 -9.996 2.558 1.00 0.00 O ATOM 865 CB MET A 85 85.774 -7.331 3.827 1.00 0.00 C ATOM 866 CG MET A 85 86.505 -6.282 4.667 1.00 0.00 C ATOM 867 SD MET A 85 86.075 -6.499 6.411 1.00 0.00 S ATOM 868 CE MET A 85 85.517 -4.806 6.720 1.00 0.00 C ATOM 0 H MET A 85 86.630 -8.327 1.305 1.00 0.00 H new ATOM 0 HA MET A 85 87.561 -8.542 4.155 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.354 -6.869 2.934 1.00 0.00 H new ATOM 0 HB3 MET A 85 84.941 -7.749 4.392 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.582 -6.379 4.532 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.231 -5.280 4.336 1.00 0.00 H new ATOM 0 HE1 MET A 85 85.199 -4.712 7.758 1.00 0.00 H new ATOM 0 HE2 MET A 85 86.335 -4.112 6.527 1.00 0.00 H new ATOM 0 HE3 MET A 85 84.680 -4.573 6.061 1.00 0.00 H new ATOM 878 N THR A 86 86.395 -10.707 4.220 1.00 0.00 N ATOM 879 CA THR A 86 85.730 -12.039 4.202 1.00 0.00 C ATOM 880 C THR A 86 84.809 -12.188 5.411 1.00 0.00 C ATOM 881 O THR A 86 85.044 -11.622 6.460 1.00 0.00 O ATOM 882 CB THR A 86 86.866 -13.056 4.265 1.00 0.00 C ATOM 883 OG1 THR A 86 87.882 -12.581 5.137 1.00 0.00 O ATOM 884 CG2 THR A 86 87.439 -13.254 2.866 1.00 0.00 C ATOM 0 H THR A 86 87.123 -10.594 4.925 1.00 0.00 H new ATOM 0 HA THR A 86 85.112 -12.176 3.314 1.00 0.00 H new ATOM 0 HB THR A 86 86.488 -14.006 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.610 -13.236 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.251 -13.980 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.657 -13.620 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.819 -12.304 2.491 1.00 0.00 H new ATOM 892 N ARG A 87 83.762 -12.945 5.266 1.00 0.00 N ATOM 893 CA ARG A 87 82.817 -13.135 6.403 1.00 0.00 C ATOM 894 C ARG A 87 83.596 -13.349 7.705 1.00 0.00 C ATOM 895 O ARG A 87 83.122 -13.041 8.780 1.00 0.00 O ATOM 896 CB ARG A 87 82.016 -14.385 6.047 1.00 0.00 C ATOM 897 CG ARG A 87 80.589 -14.246 6.584 1.00 0.00 C ATOM 898 CD ARG A 87 80.323 -15.348 7.610 1.00 0.00 C ATOM 899 NE ARG A 87 79.685 -16.445 6.829 1.00 0.00 N ATOM 900 CZ ARG A 87 79.508 -17.617 7.373 1.00 0.00 C ATOM 901 NH1 ARG A 87 78.406 -17.873 8.025 1.00 0.00 N ATOM 902 NH2 ARG A 87 80.430 -18.534 7.265 1.00 0.00 N ATOM 0 H ARG A 87 83.517 -13.442 4.410 1.00 0.00 H new ATOM 0 HA ARG A 87 82.173 -12.269 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.997 -14.523 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.492 -15.268 6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.455 -13.266 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 87 79.872 -14.315 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 87 81.247 -15.683 8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 87 79.668 -14.997 8.408 1.00 0.00 H new ATOM 0 HE ARG A 87 79.386 -16.279 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 77.685 -17.157 8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 87 78.267 -18.789 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 87 81.290 -18.335 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.290 -19.450 7.691 1.00 0.00 H new ATOM 916 N GLY A 88 84.786 -13.874 7.615 1.00 0.00 N ATOM 917 CA GLY A 88 85.594 -14.107 8.844 1.00 0.00 C ATOM 918 C GLY A 88 86.024 -12.762 9.435 1.00 0.00 C ATOM 919 O GLY A 88 86.173 -12.618 10.631 1.00 0.00 O ATOM 0 H GLY A 88 85.234 -14.152 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 88 85.011 -14.667 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.471 -14.709 8.607 1.00 0.00 H new ATOM 923 N SER A 89 86.223 -11.775 8.604 1.00 0.00 N ATOM 924 CA SER A 89 86.642 -10.439 9.119 1.00 0.00 C ATOM 925 C SER A 89 85.530 -9.413 8.883 1.00 0.00 C ATOM 926 O SER A 89 85.456 -8.791 7.842 1.00 0.00 O ATOM 927 CB SER A 89 87.889 -10.076 8.313 1.00 0.00 C ATOM 928 OG SER A 89 89.008 -10.781 8.831 1.00 0.00 O ATOM 0 H SER A 89 86.114 -11.835 7.592 1.00 0.00 H new ATOM 0 HA SER A 89 86.842 -10.452 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.742 -10.327 7.262 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.067 -9.002 8.362 1.00 0.00 H new ATOM 0 HG SER A 89 89.808 -10.550 8.314 1.00 0.00 H new ATOM 934 N MET A 90 84.663 -9.235 9.841 1.00 0.00 N ATOM 935 CA MET A 90 83.553 -8.252 9.671 1.00 0.00 C ATOM 936 C MET A 90 82.667 -8.242 10.920 1.00 0.00 C ATOM 937 O MET A 90 83.012 -8.804 11.939 1.00 0.00 O ATOM 938 CB MET A 90 82.772 -8.753 8.456 1.00 0.00 C ATOM 939 CG MET A 90 82.883 -7.734 7.321 1.00 0.00 C ATOM 940 SD MET A 90 82.884 -8.601 5.731 1.00 0.00 S ATOM 941 CE MET A 90 81.366 -7.870 5.072 1.00 0.00 C ATOM 0 H MET A 90 84.674 -9.727 10.734 1.00 0.00 H new ATOM 0 HA MET A 90 83.913 -7.233 9.531 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.163 -9.718 8.132 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.726 -8.905 8.721 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.050 -7.033 7.365 1.00 0.00 H new ATOM 0 HG3 MET A 90 83.797 -7.150 7.430 1.00 0.00 H new ATOM 0 HE1 MET A 90 81.309 -8.055 3.999 1.00 0.00 H new ATOM 0 HE2 MET A 90 80.503 -8.318 5.564 1.00 0.00 H new ATOM 0 HE3 MET A 90 81.370 -6.795 5.255 1.00 0.00 H new ATOM 951 N VAL A 91 81.527 -7.607 10.853 1.00 0.00 N ATOM 952 CA VAL A 91 80.630 -7.570 12.045 1.00 0.00 C ATOM 953 C VAL A 91 79.229 -8.075 11.674 1.00 0.00 C ATOM 954 O VAL A 91 78.873 -8.149 10.515 1.00 0.00 O ATOM 955 CB VAL A 91 80.604 -6.099 12.477 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.741 -5.277 11.515 1.00 0.00 C ATOM 957 CG2 VAL A 91 80.030 -5.993 13.892 1.00 0.00 C ATOM 0 H VAL A 91 81.180 -7.115 10.030 1.00 0.00 H new ATOM 0 HA VAL A 91 80.980 -8.214 12.852 1.00 0.00 H new ATOM 0 HB VAL A 91 81.622 -5.709 12.461 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.732 -4.235 11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 91 80.153 -5.344 10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 91 78.723 -5.666 11.517 1.00 0.00 H new ATOM 0 HG21 VAL A 91 80.011 -4.947 14.200 1.00 0.00 H new ATOM 0 HG22 VAL A 91 79.016 -6.393 13.904 1.00 0.00 H new ATOM 0 HG23 VAL A 91 80.653 -6.563 14.581 1.00 0.00 H new ATOM 967 N GLY A 92 78.443 -8.433 12.654 1.00 0.00 N ATOM 968 CA GLY A 92 77.069 -8.952 12.381 1.00 0.00 C ATOM 969 C GLY A 92 76.415 -8.195 11.215 1.00 0.00 C ATOM 970 O GLY A 92 76.085 -8.787 10.209 1.00 0.00 O ATOM 0 H GLY A 92 78.696 -8.388 13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.118 -10.015 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.454 -8.851 13.275 1.00 0.00 H new ATOM 974 N PRO A 93 76.230 -6.911 11.395 1.00 0.00 N ATOM 975 CA PRO A 93 75.586 -6.075 10.350 1.00 0.00 C ATOM 976 C PRO A 93 76.338 -6.159 9.015 1.00 0.00 C ATOM 977 O PRO A 93 75.860 -6.744 8.064 1.00 0.00 O ATOM 978 CB PRO A 93 75.664 -4.668 10.949 1.00 0.00 C ATOM 979 CG PRO A 93 76.344 -4.754 12.331 1.00 0.00 C ATOM 980 CD PRO A 93 76.654 -6.225 12.640 1.00 0.00 C ATOM 0 HA PRO A 93 74.569 -6.389 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 93 76.229 -4.008 10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.665 -4.243 11.046 1.00 0.00 H new ATOM 0 HG2 PRO A 93 77.262 -4.166 12.337 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.693 -4.336 13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.712 -6.381 12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.101 -6.582 13.509 1.00 0.00 H new ATOM 988 N PHE A 94 77.499 -5.569 8.928 1.00 0.00 N ATOM 989 CA PHE A 94 78.264 -5.610 7.644 1.00 0.00 C ATOM 990 C PHE A 94 78.163 -6.994 6.992 1.00 0.00 C ATOM 991 O PHE A 94 78.055 -7.115 5.788 1.00 0.00 O ATOM 992 CB PHE A 94 79.710 -5.311 8.033 1.00 0.00 C ATOM 993 CG PHE A 94 80.039 -3.876 7.696 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.318 -2.833 8.290 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.066 -3.590 6.789 1.00 0.00 C ATOM 996 CE1 PHE A 94 79.627 -1.503 7.978 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.373 -2.260 6.477 1.00 0.00 C ATOM 998 CZ PHE A 94 80.654 -1.216 7.071 1.00 0.00 C ATOM 0 H PHE A 94 77.952 -5.061 9.687 1.00 0.00 H new ATOM 0 HA PHE A 94 77.875 -4.895 6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.854 -5.487 9.099 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.386 -5.983 7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.524 -3.054 8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.621 -4.395 6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 94 79.072 -0.698 8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.165 -2.039 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 94 80.891 -0.190 6.830 1.00 0.00 H new ATOM 1008 N GLN A 95 78.205 -8.039 7.774 1.00 0.00 N ATOM 1009 CA GLN A 95 78.124 -9.412 7.192 1.00 0.00 C ATOM 1010 C GLN A 95 76.675 -9.777 6.845 1.00 0.00 C ATOM 1011 O GLN A 95 76.408 -10.386 5.828 1.00 0.00 O ATOM 1012 CB GLN A 95 78.652 -10.336 8.290 1.00 0.00 C ATOM 1013 CG GLN A 95 79.975 -10.960 7.842 1.00 0.00 C ATOM 1014 CD GLN A 95 80.496 -11.891 8.940 1.00 0.00 C ATOM 1015 OE1 GLN A 95 80.015 -12.996 9.094 1.00 0.00 O ATOM 1016 NE2 GLN A 95 81.466 -11.488 9.712 1.00 0.00 N ATOM 0 H GLN A 95 78.292 -8.003 8.790 1.00 0.00 H new ATOM 0 HA GLN A 95 78.696 -9.493 6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 95 78.797 -9.775 9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 95 77.923 -11.118 8.503 1.00 0.00 H new ATOM 0 HG2 GLN A 95 79.832 -11.516 6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 95 80.706 -10.179 7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 95 81.869 -10.560 9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 95 81.822 -12.101 10.446 1.00 0.00 H new ATOM 1025 N GLU A 96 75.741 -9.426 7.686 1.00 0.00 N ATOM 1026 CA GLU A 96 74.317 -9.773 7.406 1.00 0.00 C ATOM 1027 C GLU A 96 73.755 -8.915 6.265 1.00 0.00 C ATOM 1028 O GLU A 96 72.905 -9.348 5.514 1.00 0.00 O ATOM 1029 CB GLU A 96 73.580 -9.501 8.723 1.00 0.00 C ATOM 1030 CG GLU A 96 73.161 -8.029 8.808 1.00 0.00 C ATOM 1031 CD GLU A 96 71.816 -7.840 8.104 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.046 -8.787 8.075 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.580 -6.753 7.605 1.00 0.00 O ATOM 0 H GLU A 96 75.901 -8.915 8.554 1.00 0.00 H new ATOM 0 HA GLU A 96 74.202 -10.808 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 96 72.700 -10.141 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 96 74.224 -9.751 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.084 -7.721 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 96 73.918 -7.397 8.344 1.00 0.00 H new ATOM 1040 N ALA A 97 74.218 -7.703 6.134 1.00 0.00 N ATOM 1041 CA ALA A 97 73.705 -6.826 5.043 1.00 0.00 C ATOM 1042 C ALA A 97 74.553 -7.001 3.783 1.00 0.00 C ATOM 1043 O ALA A 97 74.211 -7.745 2.883 1.00 0.00 O ATOM 1044 CB ALA A 97 73.838 -5.401 5.584 1.00 0.00 C ATOM 0 H ALA A 97 74.928 -7.282 6.733 1.00 0.00 H new ATOM 0 HA ALA A 97 72.677 -7.064 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.480 -4.693 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.245 -5.300 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.884 -5.193 5.808 1.00 0.00 H new ATOM 1050 N ALA A 98 75.651 -6.310 3.713 1.00 0.00 N ATOM 1051 CA ALA A 98 76.538 -6.411 2.517 1.00 0.00 C ATOM 1052 C ALA A 98 76.777 -7.875 2.130 1.00 0.00 C ATOM 1053 O ALA A 98 76.241 -8.361 1.153 1.00 0.00 O ATOM 1054 CB ALA A 98 77.848 -5.750 2.949 1.00 0.00 C ATOM 0 H ALA A 98 75.979 -5.672 4.438 1.00 0.00 H new ATOM 0 HA ALA A 98 76.098 -5.932 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.560 -5.781 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.658 -4.713 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.260 -6.284 3.805 1.00 0.00 H new ATOM 1060 N PHE A 99 77.587 -8.577 2.875 1.00 0.00 N ATOM 1061 CA PHE A 99 77.869 -10.005 2.538 1.00 0.00 C ATOM 1062 C PHE A 99 76.589 -10.729 2.122 1.00 0.00 C ATOM 1063 O PHE A 99 76.505 -11.300 1.054 1.00 0.00 O ATOM 1064 CB PHE A 99 78.434 -10.613 3.822 1.00 0.00 C ATOM 1065 CG PHE A 99 79.598 -11.511 3.480 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.814 -10.956 3.063 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.461 -12.901 3.578 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.893 -11.789 2.746 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.540 -13.734 3.261 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.756 -13.179 2.845 1.00 0.00 C ATOM 0 H PHE A 99 78.067 -8.225 3.703 1.00 0.00 H new ATOM 0 HA PHE A 99 78.562 -10.094 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.757 -9.823 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.661 -11.182 4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 99 80.919 -9.884 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.523 -13.330 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.831 -11.360 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.434 -14.806 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.588 -13.823 2.601 1.00 0.00 H new ATOM 1080 N ALA A 100 75.593 -10.713 2.960 1.00 0.00 N ATOM 1081 CA ALA A 100 74.317 -11.406 2.616 1.00 0.00 C ATOM 1082 C ALA A 100 73.673 -10.755 1.388 1.00 0.00 C ATOM 1083 O ALA A 100 72.715 -11.261 0.838 1.00 0.00 O ATOM 1084 CB ALA A 100 73.428 -11.233 3.846 1.00 0.00 C ATOM 0 H ALA A 100 75.605 -10.251 3.869 1.00 0.00 H new ATOM 0 HA ALA A 100 74.471 -12.457 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.467 -11.717 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.911 -11.687 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.270 -10.171 4.034 1.00 0.00 H new ATOM 1090 N LEU A 101 74.186 -9.634 0.960 1.00 0.00 N ATOM 1091 CA LEU A 101 73.597 -8.951 -0.226 1.00 0.00 C ATOM 1092 C LEU A 101 74.477 -9.166 -1.468 1.00 0.00 C ATOM 1093 O LEU A 101 75.677 -9.320 -1.354 1.00 0.00 O ATOM 1094 CB LEU A 101 73.554 -7.475 0.162 1.00 0.00 C ATOM 1095 CG LEU A 101 72.310 -7.218 1.015 1.00 0.00 C ATOM 1096 CD1 LEU A 101 72.403 -5.831 1.649 1.00 0.00 C ATOM 1097 CD2 LEU A 101 71.063 -7.292 0.132 1.00 0.00 C ATOM 0 H LEU A 101 74.987 -9.162 1.380 1.00 0.00 H new ATOM 0 HA LEU A 101 72.610 -9.338 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 101 74.453 -7.206 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.532 -6.852 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 101 72.246 -7.972 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.517 -5.648 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 101 73.291 -5.777 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.467 -5.076 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.176 -7.109 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 101 71.128 -6.538 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.995 -8.282 -0.320 1.00 0.00 H new ATOM 1109 N PRO A 102 73.845 -9.179 -2.618 1.00 0.00 N ATOM 1110 CA PRO A 102 74.571 -9.387 -3.898 1.00 0.00 C ATOM 1111 C PRO A 102 75.551 -8.241 -4.174 1.00 0.00 C ATOM 1112 O PRO A 102 75.290 -7.098 -3.855 1.00 0.00 O ATOM 1113 CB PRO A 102 73.442 -9.375 -4.931 1.00 0.00 C ATOM 1114 CG PRO A 102 72.103 -9.144 -4.203 1.00 0.00 C ATOM 1115 CD PRO A 102 72.375 -8.992 -2.703 1.00 0.00 C ATOM 0 HA PRO A 102 75.169 -10.299 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.612 -8.589 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.418 -10.320 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.613 -8.251 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.428 -9.981 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.069 -8.013 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.837 -9.737 -2.116 1.00 0.00 H new ATOM 1123 N VAL A 103 76.667 -8.537 -4.790 1.00 0.00 N ATOM 1124 CA VAL A 103 77.650 -7.464 -5.114 1.00 0.00 C ATOM 1125 C VAL A 103 76.892 -6.254 -5.679 1.00 0.00 C ATOM 1126 O VAL A 103 75.865 -6.400 -6.311 1.00 0.00 O ATOM 1127 CB VAL A 103 78.590 -8.110 -6.146 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.142 -7.067 -7.120 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.759 -8.773 -5.410 1.00 0.00 C ATOM 0 H VAL A 103 76.938 -9.476 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 103 78.215 -7.097 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 103 78.024 -8.848 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 103 79.803 -7.553 -7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 103 78.317 -6.592 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 103 79.700 -6.312 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 103 80.431 -9.234 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.303 -8.021 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 103 79.376 -9.537 -4.733 1.00 0.00 H new ATOM 1139 N SER A 104 77.369 -5.061 -5.438 1.00 0.00 N ATOM 1140 CA SER A 104 76.646 -3.854 -5.940 1.00 0.00 C ATOM 1141 C SER A 104 77.402 -2.572 -5.549 1.00 0.00 C ATOM 1142 O SER A 104 78.563 -2.412 -5.868 1.00 0.00 O ATOM 1143 CB SER A 104 75.283 -3.917 -5.247 1.00 0.00 C ATOM 1144 OG SER A 104 75.473 -4.021 -3.844 1.00 0.00 O ATOM 0 H SER A 104 78.225 -4.870 -4.917 1.00 0.00 H new ATOM 0 HA SER A 104 76.558 -3.837 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 104 74.702 -3.025 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 104 74.716 -4.773 -5.613 1.00 0.00 H new ATOM 0 HG SER A 104 75.453 -4.965 -3.580 1.00 0.00 H new ATOM 1150 N GLY A 105 76.764 -1.660 -4.851 1.00 0.00 N ATOM 1151 CA GLY A 105 77.470 -0.412 -4.447 1.00 0.00 C ATOM 1152 C GLY A 105 76.949 0.792 -5.236 1.00 0.00 C ATOM 1153 O GLY A 105 76.409 0.654 -6.314 1.00 0.00 O ATOM 0 H GLY A 105 75.792 -1.730 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 105 77.330 -0.240 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 105 78.541 -0.525 -4.614 1.00 0.00 H new ATOM 1157 N MET A 106 77.135 1.976 -4.702 1.00 0.00 N ATOM 1158 CA MET A 106 76.692 3.220 -5.398 1.00 0.00 C ATOM 1159 C MET A 106 75.165 3.367 -5.388 1.00 0.00 C ATOM 1160 O MET A 106 74.603 4.137 -6.141 1.00 0.00 O ATOM 1161 CB MET A 106 77.221 3.080 -6.821 1.00 0.00 C ATOM 1162 CG MET A 106 77.240 4.450 -7.502 1.00 0.00 C ATOM 1163 SD MET A 106 77.334 4.229 -9.296 1.00 0.00 S ATOM 1164 CE MET A 106 75.868 3.182 -9.475 1.00 0.00 C ATOM 0 H MET A 106 77.582 2.132 -3.799 1.00 0.00 H new ATOM 0 HA MET A 106 77.071 4.114 -4.902 1.00 0.00 H new ATOM 0 HB2 MET A 106 78.225 2.657 -6.806 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.593 2.391 -7.386 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.343 5.011 -7.240 1.00 0.00 H new ATOM 0 HG3 MET A 106 78.093 5.031 -7.151 1.00 0.00 H new ATOM 0 HE1 MET A 106 75.401 3.372 -10.441 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.160 2.134 -9.413 1.00 0.00 H new ATOM 0 HE3 MET A 106 75.159 3.409 -8.679 1.00 0.00 H new ATOM 1174 N ASP A 107 74.496 2.664 -4.521 1.00 0.00 N ATOM 1175 CA ASP A 107 73.010 2.791 -4.433 1.00 0.00 C ATOM 1176 C ASP A 107 72.314 2.471 -5.760 1.00 0.00 C ATOM 1177 O ASP A 107 71.698 3.327 -6.363 1.00 0.00 O ATOM 1178 CB ASP A 107 72.764 4.254 -4.064 1.00 0.00 C ATOM 1179 CG ASP A 107 71.263 4.486 -3.891 1.00 0.00 C ATOM 1180 OD1 ASP A 107 70.715 3.993 -2.919 1.00 0.00 O ATOM 1181 OD2 ASP A 107 70.685 5.155 -4.732 1.00 0.00 O ATOM 0 H ASP A 107 74.913 2.003 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 107 72.607 2.086 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 107 73.291 4.502 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.157 4.908 -4.842 1.00 0.00 H new ATOM 1186 N LYS A 108 72.370 1.248 -6.209 1.00 0.00 N ATOM 1187 CA LYS A 108 71.669 0.903 -7.474 1.00 0.00 C ATOM 1188 C LYS A 108 71.373 -0.611 -7.529 1.00 0.00 C ATOM 1189 O LYS A 108 70.226 -0.995 -7.410 1.00 0.00 O ATOM 1190 CB LYS A 108 72.583 1.390 -8.598 1.00 0.00 C ATOM 1191 CG LYS A 108 72.258 0.636 -9.890 1.00 0.00 C ATOM 1192 CD LYS A 108 73.300 0.976 -10.955 1.00 0.00 C ATOM 1193 CE LYS A 108 72.779 2.117 -11.832 1.00 0.00 C ATOM 1194 NZ LYS A 108 72.684 1.533 -13.200 1.00 0.00 N ATOM 0 H LYS A 108 72.867 0.479 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 108 70.693 1.381 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.452 2.462 -8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 108 73.627 1.232 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 108 72.249 -0.438 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 108 71.262 0.907 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 108 74.238 1.266 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 108 73.510 0.099 -11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 108 71.808 2.471 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 108 73.456 2.971 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 72.333 2.254 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 73.624 1.210 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 72.028 0.726 -13.188 1.00 0.00 H new ATOM 1208 N PRO A 109 72.384 -1.446 -7.676 1.00 0.00 N ATOM 1209 CA PRO A 109 72.135 -2.909 -7.700 1.00 0.00 C ATOM 1210 C PRO A 109 71.523 -3.361 -6.366 1.00 0.00 C ATOM 1211 O PRO A 109 70.874 -2.596 -5.681 1.00 0.00 O ATOM 1212 CB PRO A 109 73.539 -3.491 -7.870 1.00 0.00 C ATOM 1213 CG PRO A 109 74.552 -2.334 -7.929 1.00 0.00 C ATOM 1214 CD PRO A 109 73.794 -1.006 -7.832 1.00 0.00 C ATOM 0 HA PRO A 109 71.442 -3.223 -8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 109 73.775 -4.157 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 109 73.593 -4.087 -8.781 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.269 -2.419 -7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.120 -2.377 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.129 -0.410 -6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.931 -0.395 -8.724 1.00 0.00 H new ATOM 1222 N VAL A 110 71.737 -4.597 -5.995 1.00 0.00 N ATOM 1223 CA VAL A 110 71.188 -5.115 -4.704 1.00 0.00 C ATOM 1224 C VAL A 110 69.781 -4.555 -4.436 1.00 0.00 C ATOM 1225 O VAL A 110 69.116 -4.075 -5.332 1.00 0.00 O ATOM 1226 CB VAL A 110 72.197 -4.660 -3.641 1.00 0.00 C ATOM 1227 CG1 VAL A 110 71.899 -3.226 -3.194 1.00 0.00 C ATOM 1228 CG2 VAL A 110 72.120 -5.595 -2.434 1.00 0.00 C ATOM 0 H VAL A 110 72.273 -5.276 -6.535 1.00 0.00 H new ATOM 0 HA VAL A 110 71.070 -6.199 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 110 73.198 -4.691 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.625 -2.922 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 110 71.964 -2.557 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 110 70.895 -3.178 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 110 72.836 -5.273 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 110 71.114 -5.567 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 110 72.355 -6.612 -2.746 1.00 0.00 H new ATOM 1238 N PHE A 111 69.314 -4.629 -3.213 1.00 0.00 N ATOM 1239 CA PHE A 111 67.946 -4.114 -2.910 1.00 0.00 C ATOM 1240 C PHE A 111 67.953 -3.195 -1.683 1.00 0.00 C ATOM 1241 O PHE A 111 67.318 -2.158 -1.674 1.00 0.00 O ATOM 1242 CB PHE A 111 67.112 -5.363 -2.620 1.00 0.00 C ATOM 1243 CG PHE A 111 67.003 -6.201 -3.870 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.069 -7.023 -4.258 1.00 0.00 C ATOM 1245 CD2 PHE A 111 65.835 -6.161 -4.640 1.00 0.00 C ATOM 1246 CE1 PHE A 111 67.967 -7.803 -5.416 1.00 0.00 C ATOM 1247 CE2 PHE A 111 65.733 -6.941 -5.798 1.00 0.00 C ATOM 1248 CZ PHE A 111 66.798 -7.762 -6.185 1.00 0.00 C ATOM 0 H PHE A 111 69.818 -5.021 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 111 67.551 -3.523 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 111 67.573 -5.943 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 111 66.119 -5.077 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 111 68.970 -7.055 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 111 65.012 -5.528 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 111 68.789 -8.436 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 111 64.832 -6.909 -6.393 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.718 -8.365 -7.078 1.00 0.00 H new ATOM 1258 N THR A 112 68.643 -3.573 -0.644 1.00 0.00 N ATOM 1259 CA THR A 112 68.662 -2.723 0.585 1.00 0.00 C ATOM 1260 C THR A 112 69.045 -1.285 0.250 1.00 0.00 C ATOM 1261 O THR A 112 69.106 -0.890 -0.897 1.00 0.00 O ATOM 1262 CB THR A 112 69.716 -3.343 1.507 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.587 -2.783 2.806 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.118 -3.055 0.965 1.00 0.00 C ATOM 0 H THR A 112 69.194 -4.430 -0.590 1.00 0.00 H new ATOM 0 HA THR A 112 67.678 -2.690 1.052 1.00 0.00 H new ATOM 0 HB THR A 112 69.566 -4.422 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.258 -3.178 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.862 -3.499 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.217 -3.483 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.274 -1.977 0.915 1.00 0.00 H new ATOM 1272 N ASP A 113 69.312 -0.504 1.257 1.00 0.00 N ATOM 1273 CA ASP A 113 69.704 0.915 1.022 1.00 0.00 C ATOM 1274 C ASP A 113 71.178 1.103 1.395 1.00 0.00 C ATOM 1275 O ASP A 113 71.662 0.479 2.318 1.00 0.00 O ATOM 1276 CB ASP A 113 68.803 1.749 1.937 1.00 0.00 C ATOM 1277 CG ASP A 113 67.381 1.182 1.919 1.00 0.00 C ATOM 1278 OD1 ASP A 113 66.966 0.708 0.874 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.731 1.231 2.951 1.00 0.00 O ATOM 0 H ASP A 113 69.276 -0.787 2.236 1.00 0.00 H new ATOM 0 HA ASP A 113 69.588 1.212 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.195 1.741 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.795 2.788 1.606 1.00 0.00 H new ATOM 1284 N PRO A 114 71.856 1.945 0.657 1.00 0.00 N ATOM 1285 CA PRO A 114 73.292 2.189 0.912 1.00 0.00 C ATOM 1286 C PRO A 114 73.544 2.749 2.327 1.00 0.00 C ATOM 1287 O PRO A 114 74.315 2.183 3.066 1.00 0.00 O ATOM 1288 CB PRO A 114 73.671 3.180 -0.194 1.00 0.00 C ATOM 1289 CG PRO A 114 72.421 3.458 -1.052 1.00 0.00 C ATOM 1290 CD PRO A 114 71.233 2.687 -0.466 1.00 0.00 C ATOM 0 HA PRO A 114 73.894 1.281 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.046 4.107 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.471 2.771 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.205 4.526 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.597 3.152 -2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.444 3.356 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.784 2.015 -1.198 1.00 0.00 H new ATOM 1298 N PRO A 115 72.894 3.834 2.665 1.00 0.00 N ATOM 1299 CA PRO A 115 73.084 4.454 4.003 1.00 0.00 C ATOM 1300 C PRO A 115 72.619 3.507 5.112 1.00 0.00 C ATOM 1301 O PRO A 115 71.630 3.749 5.775 1.00 0.00 O ATOM 1302 CB PRO A 115 72.186 5.690 3.929 1.00 0.00 C ATOM 1303 CG PRO A 115 71.521 5.734 2.539 1.00 0.00 C ATOM 1304 CD PRO A 115 71.940 4.486 1.750 1.00 0.00 C ATOM 0 HA PRO A 115 74.124 4.686 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.427 5.653 4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 115 72.772 6.594 4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.436 5.770 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 115 71.821 6.636 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.089 3.843 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.403 4.745 0.798 1.00 0.00 H new ATOM 1312 N VAL A 116 73.329 2.434 5.320 1.00 0.00 N ATOM 1313 CA VAL A 116 72.936 1.476 6.386 1.00 0.00 C ATOM 1314 C VAL A 116 73.609 1.852 7.707 1.00 0.00 C ATOM 1315 O VAL A 116 74.683 2.419 7.731 1.00 0.00 O ATOM 1316 CB VAL A 116 73.425 0.119 5.907 1.00 0.00 C ATOM 1317 CG1 VAL A 116 72.850 -0.175 4.519 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.945 0.120 5.845 1.00 0.00 C ATOM 0 H VAL A 116 74.166 2.180 4.796 1.00 0.00 H new ATOM 0 HA VAL A 116 71.860 1.478 6.563 1.00 0.00 H new ATOM 0 HB VAL A 116 73.093 -0.652 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.202 -1.149 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 116 71.761 -0.180 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.177 0.594 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.296 -0.853 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.280 0.892 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.349 0.322 6.837 1.00 0.00 H new ATOM 1328 N LYS A 117 72.983 1.549 8.801 1.00 0.00 N ATOM 1329 CA LYS A 117 73.582 1.897 10.119 1.00 0.00 C ATOM 1330 C LYS A 117 73.977 0.635 10.890 1.00 0.00 C ATOM 1331 O LYS A 117 73.138 -0.122 11.334 1.00 0.00 O ATOM 1332 CB LYS A 117 72.479 2.655 10.849 1.00 0.00 C ATOM 1333 CG LYS A 117 73.097 3.538 11.935 1.00 0.00 C ATOM 1334 CD LYS A 117 72.378 3.289 13.263 1.00 0.00 C ATOM 1335 CE LYS A 117 71.819 4.610 13.796 1.00 0.00 C ATOM 1336 NZ LYS A 117 71.676 4.397 15.264 1.00 0.00 N ATOM 0 H LYS A 117 72.081 1.075 8.844 1.00 0.00 H new ATOM 0 HA LYS A 117 74.493 2.486 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.917 3.267 10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.774 1.953 11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 117 74.160 3.318 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 117 73.015 4.588 11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.571 2.570 13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 117 73.068 2.855 13.987 1.00 0.00 H new ATOM 0 HE2 LYS A 117 72.492 5.440 13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 117 70.860 4.849 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 71.297 5.259 15.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 71.025 3.605 15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 72.606 4.178 15.675 1.00 0.00 H new ATOM 1350 N THR A 118 75.252 0.413 11.057 1.00 0.00 N ATOM 1351 CA THR A 118 75.711 -0.791 11.807 1.00 0.00 C ATOM 1352 C THR A 118 76.315 -0.369 13.149 1.00 0.00 C ATOM 1353 O THR A 118 77.449 -0.680 13.454 1.00 0.00 O ATOM 1354 CB THR A 118 76.779 -1.435 10.918 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.920 -0.589 10.866 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.225 -1.633 9.507 1.00 0.00 C ATOM 0 H THR A 118 75.997 1.014 10.706 1.00 0.00 H new ATOM 0 HA THR A 118 74.895 -1.481 12.022 1.00 0.00 H new ATOM 0 HB THR A 118 77.060 -2.403 11.332 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.289 -0.481 11.768 1.00 0.00 H new ATOM 0 HG21 THR A 118 76.988 -2.091 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.350 -2.282 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 118 75.942 -0.667 9.089 1.00 0.00 H new ATOM 1364 N LYS A 119 75.568 0.345 13.950 1.00 0.00 N ATOM 1365 CA LYS A 119 76.102 0.794 15.271 1.00 0.00 C ATOM 1366 C LYS A 119 77.197 1.844 15.064 1.00 0.00 C ATOM 1367 O LYS A 119 78.280 1.740 15.604 1.00 0.00 O ATOM 1368 CB LYS A 119 76.681 -0.463 15.921 1.00 0.00 C ATOM 1369 CG LYS A 119 76.134 -0.602 17.344 1.00 0.00 C ATOM 1370 CD LYS A 119 75.792 -2.068 17.615 1.00 0.00 C ATOM 1371 CE LYS A 119 76.599 -2.566 18.817 1.00 0.00 C ATOM 1372 NZ LYS A 119 75.826 -2.117 20.010 1.00 0.00 N ATOM 0 H LYS A 119 74.612 0.637 13.747 1.00 0.00 H new ATOM 0 HA LYS A 119 75.332 1.251 15.893 1.00 0.00 H new ATOM 0 HB2 LYS A 119 76.420 -1.342 15.332 1.00 0.00 H new ATOM 0 HB3 LYS A 119 77.769 -0.405 15.943 1.00 0.00 H new ATOM 0 HG2 LYS A 119 76.872 -0.250 18.065 1.00 0.00 H new ATOM 0 HG3 LYS A 119 75.246 0.019 17.467 1.00 0.00 H new ATOM 0 HD2 LYS A 119 74.725 -2.173 17.811 1.00 0.00 H new ATOM 0 HD3 LYS A 119 76.016 -2.673 16.737 1.00 0.00 H new ATOM 0 HE2 LYS A 119 76.705 -3.651 18.800 1.00 0.00 H new ATOM 0 HE3 LYS A 119 77.606 -2.148 18.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 76.316 -2.421 20.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 75.747 -1.080 20.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 74.875 -2.536 19.985 1.00 0.00 H new ATOM 1386 N PHE A 120 76.924 2.853 14.284 1.00 0.00 N ATOM 1387 CA PHE A 120 77.950 3.908 14.042 1.00 0.00 C ATOM 1388 C PHE A 120 77.355 5.042 13.203 1.00 0.00 C ATOM 1389 O PHE A 120 77.136 6.135 13.684 1.00 0.00 O ATOM 1390 CB PHE A 120 79.068 3.201 13.275 1.00 0.00 C ATOM 1391 CG PHE A 120 80.407 3.696 13.765 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.535 5.001 14.254 1.00 0.00 C ATOM 1393 CD2 PHE A 120 81.522 2.849 13.730 1.00 0.00 C ATOM 1394 CE1 PHE A 120 81.778 5.459 14.708 1.00 0.00 C ATOM 1395 CE2 PHE A 120 82.764 3.307 14.185 1.00 0.00 C ATOM 1396 CZ PHE A 120 82.893 4.613 14.674 1.00 0.00 C ATOM 0 H PHE A 120 76.035 2.993 13.803 1.00 0.00 H new ATOM 0 HA PHE A 120 78.310 4.356 14.968 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.994 2.123 13.415 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.967 3.391 12.207 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.676 5.655 14.281 1.00 0.00 H new ATOM 0 HD2 PHE A 120 81.423 1.842 13.352 1.00 0.00 H new ATOM 0 HE1 PHE A 120 81.877 6.466 15.085 1.00 0.00 H new ATOM 0 HE2 PHE A 120 83.623 2.653 14.159 1.00 0.00 H new ATOM 0 HZ PHE A 120 83.851 4.967 15.024 1.00 0.00 H new ATOM 1406 N GLY A 121 77.087 4.786 11.951 1.00 0.00 N ATOM 1407 CA GLY A 121 76.504 5.848 11.082 1.00 0.00 C ATOM 1408 C GLY A 121 75.911 5.203 9.828 1.00 0.00 C ATOM 1409 O GLY A 121 75.893 3.997 9.692 1.00 0.00 O ATOM 0 H GLY A 121 77.246 3.889 11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 121 75.732 6.395 11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 121 77.272 6.570 10.805 1.00 0.00 H new ATOM 1413 N TYR A 122 75.427 5.993 8.910 1.00 0.00 N ATOM 1414 CA TYR A 122 74.835 5.413 7.671 1.00 0.00 C ATOM 1415 C TYR A 122 75.914 5.252 6.597 1.00 0.00 C ATOM 1416 O TYR A 122 76.187 6.163 5.840 1.00 0.00 O ATOM 1417 CB TYR A 122 73.779 6.424 7.216 1.00 0.00 C ATOM 1418 CG TYR A 122 72.488 6.174 7.958 1.00 0.00 C ATOM 1419 CD1 TYR A 122 72.514 5.773 9.300 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.262 6.346 7.304 1.00 0.00 C ATOM 1421 CE1 TYR A 122 71.316 5.544 9.986 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.065 6.116 7.989 1.00 0.00 C ATOM 1423 CZ TYR A 122 70.091 5.715 9.331 1.00 0.00 C ATOM 1424 OH TYR A 122 68.909 5.489 10.006 1.00 0.00 O ATOM 0 H TYR A 122 75.415 7.012 8.963 1.00 0.00 H new ATOM 0 HA TYR A 122 74.405 4.427 7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 122 74.128 7.439 7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.616 6.337 6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 122 73.459 5.641 9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.241 6.657 6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 122 71.337 5.235 11.021 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.120 6.248 7.483 1.00 0.00 H new ATOM 0 HH TYR A 122 68.153 5.655 9.405 1.00 0.00 H new ATOM 1434 N HIS A 123 76.535 4.104 6.521 1.00 0.00 N ATOM 1435 CA HIS A 123 77.590 3.914 5.487 1.00 0.00 C ATOM 1436 C HIS A 123 77.009 3.286 4.225 1.00 0.00 C ATOM 1437 O HIS A 123 76.205 2.381 4.289 1.00 0.00 O ATOM 1438 CB HIS A 123 78.653 2.993 6.115 1.00 0.00 C ATOM 1439 CG HIS A 123 78.078 1.642 6.435 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.250 0.556 5.594 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.375 1.174 7.517 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.664 -0.505 6.179 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.115 -0.184 7.353 1.00 0.00 N ATOM 0 H HIS A 123 76.359 3.300 7.123 1.00 0.00 H new ATOM 0 HA HIS A 123 78.022 4.869 5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 123 79.493 2.881 5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 123 79.043 3.450 7.024 1.00 0.00 H new ATOM 0 HD1 HIS A 123 78.733 0.559 4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 123 77.070 1.768 8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.641 -1.496 5.751 1.00 0.00 H new ATOM 1451 N ILE A 124 77.435 3.744 3.075 1.00 0.00 N ATOM 1452 CA ILE A 124 76.925 3.159 1.803 1.00 0.00 C ATOM 1453 C ILE A 124 77.830 1.990 1.445 1.00 0.00 C ATOM 1454 O ILE A 124 79.014 2.158 1.217 1.00 0.00 O ATOM 1455 CB ILE A 124 77.051 4.267 0.743 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.252 5.502 1.175 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.510 3.766 -0.596 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.301 6.561 0.063 1.00 0.00 C ATOM 0 H ILE A 124 78.114 4.497 2.964 1.00 0.00 H new ATOM 0 HA ILE A 124 75.895 2.811 1.874 1.00 0.00 H new ATOM 0 HB ILE A 124 78.103 4.533 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.218 5.225 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.664 5.910 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.601 4.554 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.081 2.895 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.461 3.491 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.733 7.439 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.337 6.846 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.869 6.151 -0.850 1.00 0.00 H new ATOM 1470 N ILE A 125 77.292 0.802 1.442 1.00 0.00 N ATOM 1471 CA ILE A 125 78.120 -0.387 1.149 1.00 0.00 C ATOM 1472 C ILE A 125 78.144 -0.698 -0.336 1.00 0.00 C ATOM 1473 O ILE A 125 77.139 -0.650 -1.017 1.00 0.00 O ATOM 1474 CB ILE A 125 77.448 -1.540 1.888 1.00 0.00 C ATOM 1475 CG1 ILE A 125 77.017 -1.109 3.291 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.438 -2.687 2.004 1.00 0.00 C ATOM 1477 CD1 ILE A 125 76.342 -2.292 3.989 1.00 0.00 C ATOM 0 H ILE A 125 76.309 0.609 1.632 1.00 0.00 H new ATOM 0 HA ILE A 125 79.152 -0.223 1.459 1.00 0.00 H new ATOM 0 HB ILE A 125 76.563 -1.849 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 125 77.882 -0.776 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 125 76.330 -0.265 3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 125 77.971 -3.519 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.738 -3.011 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.316 -2.355 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 125 76.031 -1.994 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 125 75.469 -2.603 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.045 -3.122 4.059 1.00 0.00 H new ATOM 1489 N MET A 126 79.288 -1.047 -0.828 1.00 0.00 N ATOM 1490 CA MET A 126 79.415 -1.403 -2.245 1.00 0.00 C ATOM 1491 C MET A 126 80.215 -2.704 -2.324 1.00 0.00 C ATOM 1492 O MET A 126 81.427 -2.700 -2.321 1.00 0.00 O ATOM 1493 CB MET A 126 80.146 -0.202 -2.867 1.00 0.00 C ATOM 1494 CG MET A 126 81.261 -0.662 -3.808 1.00 0.00 C ATOM 1495 SD MET A 126 81.488 0.541 -5.148 1.00 0.00 S ATOM 1496 CE MET A 126 81.149 2.049 -4.204 1.00 0.00 C ATOM 0 H MET A 126 80.155 -1.100 -0.293 1.00 0.00 H new ATOM 0 HA MET A 126 78.476 -1.581 -2.770 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.435 0.416 -3.415 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.566 0.420 -2.077 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.191 -0.777 -3.252 1.00 0.00 H new ATOM 0 HG3 MET A 126 81.015 -1.639 -4.224 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.645 2.895 -4.679 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.074 2.227 -4.177 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.524 1.933 -3.187 1.00 0.00 H new ATOM 1506 N VAL A 127 79.531 -3.815 -2.385 1.00 0.00 N ATOM 1507 CA VAL A 127 80.238 -5.130 -2.460 1.00 0.00 C ATOM 1508 C VAL A 127 80.473 -5.454 -3.926 1.00 0.00 C ATOM 1509 O VAL A 127 79.548 -5.639 -4.681 1.00 0.00 O ATOM 1510 CB VAL A 127 79.293 -6.162 -1.815 1.00 0.00 C ATOM 1511 CG1 VAL A 127 77.852 -5.941 -2.285 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.729 -7.573 -2.214 1.00 0.00 C ATOM 0 H VAL A 127 78.513 -3.871 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 127 81.200 -5.127 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 127 79.340 -6.043 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 127 77.200 -6.679 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 127 77.527 -4.940 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 127 77.803 -6.046 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.061 -8.303 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 127 79.689 -7.673 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 127 80.748 -7.750 -1.870 1.00 0.00 H new ATOM 1522 N GLU A 128 81.703 -5.501 -4.345 1.00 0.00 N ATOM 1523 CA GLU A 128 81.975 -5.780 -5.756 1.00 0.00 C ATOM 1524 C GLU A 128 83.312 -6.480 -5.899 1.00 0.00 C ATOM 1525 O GLU A 128 84.347 -5.899 -5.746 1.00 0.00 O ATOM 1526 CB GLU A 128 82.010 -4.413 -6.436 1.00 0.00 C ATOM 1527 CG GLU A 128 82.297 -4.596 -7.928 1.00 0.00 C ATOM 1528 CD GLU A 128 80.992 -4.469 -8.716 1.00 0.00 C ATOM 1529 OE1 GLU A 128 79.969 -4.227 -8.096 1.00 0.00 O ATOM 1530 OE2 GLU A 128 81.037 -4.617 -9.927 1.00 0.00 O ATOM 0 H GLU A 128 82.527 -5.356 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 128 81.223 -6.432 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 128 81.058 -3.901 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 128 82.778 -3.787 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.013 -3.847 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 128 82.748 -5.572 -8.106 1.00 0.00 H new ATOM 1537 N GLY A 129 83.280 -7.724 -6.170 1.00 0.00 N ATOM 1538 CA GLY A 129 84.543 -8.486 -6.346 1.00 0.00 C ATOM 1539 C GLY A 129 84.376 -9.905 -5.819 1.00 0.00 C ATOM 1540 O GLY A 129 84.464 -10.876 -6.544 1.00 0.00 O ATOM 0 H GLY A 129 82.426 -8.271 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.818 -8.511 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.355 -7.987 -5.817 1.00 0.00 H new ATOM 1544 N ARG A 130 84.138 -10.015 -4.557 1.00 0.00 N ATOM 1545 CA ARG A 130 83.956 -11.355 -3.917 1.00 0.00 C ATOM 1546 C ARG A 130 85.165 -12.260 -4.164 1.00 0.00 C ATOM 1547 O ARG A 130 85.122 -13.452 -3.935 1.00 0.00 O ATOM 1548 CB ARG A 130 82.735 -11.938 -4.599 1.00 0.00 C ATOM 1549 CG ARG A 130 82.285 -13.200 -3.861 1.00 0.00 C ATOM 1550 CD ARG A 130 80.815 -13.061 -3.464 1.00 0.00 C ATOM 1551 NE ARG A 130 80.516 -14.288 -2.672 1.00 0.00 N ATOM 1552 CZ ARG A 130 80.234 -15.408 -3.281 1.00 0.00 C ATOM 1553 NH1 ARG A 130 80.379 -15.504 -4.574 1.00 0.00 N ATOM 1554 NH2 ARG A 130 79.807 -16.432 -2.594 1.00 0.00 N ATOM 0 H ARG A 130 84.058 -9.224 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 130 83.846 -11.271 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.928 -11.205 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.965 -12.175 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 130 82.420 -14.074 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.899 -13.354 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.648 -12.159 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 130 80.173 -12.991 -4.342 1.00 0.00 H new ATOM 0 HE ARG A 130 80.532 -14.253 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A 130 80.713 -14.703 -5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 130 80.158 -16.380 -5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 130 79.694 -16.357 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 130 79.586 -17.308 -3.068 1.00 0.00 H new ATOM 1568 N LYS A 131 86.235 -11.702 -4.628 1.00 0.00 N ATOM 1569 CA LYS A 131 87.454 -12.518 -4.895 1.00 0.00 C ATOM 1570 C LYS A 131 87.080 -13.793 -5.656 1.00 0.00 C ATOM 1571 O LYS A 131 86.175 -13.729 -6.472 1.00 0.00 O ATOM 1572 CB LYS A 131 88.014 -12.863 -3.513 1.00 0.00 C ATOM 1573 CG LYS A 131 89.504 -12.516 -3.465 1.00 0.00 C ATOM 1574 CD LYS A 131 89.812 -11.776 -2.162 1.00 0.00 C ATOM 1575 CE LYS A 131 91.327 -11.609 -2.017 1.00 0.00 C ATOM 1576 NZ LYS A 131 91.521 -11.091 -0.633 1.00 0.00 N ATOM 1577 OXT LYS A 131 87.704 -14.812 -5.410 1.00 0.00 O ATOM 0 H LYS A 131 86.326 -10.708 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 131 88.181 -11.984 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 131 87.476 -12.311 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 131 87.870 -13.923 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 131 90.102 -13.425 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 131 89.772 -11.896 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 131 89.326 -10.800 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 131 89.413 -12.331 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 131 91.845 -12.557 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 131 91.721 -10.914 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 92.425 -11.440 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 91.531 -10.051 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 90.743 -11.420 -0.027 1.00 0.00 H new