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+ -167:sc= 0.713 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot -38:sc= 0.206 USER MOD Single : A 36 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= -0.209 (180deg=-1.74!) USER MOD Single : A 42 HIS : no HE2:sc= -22.7! C(o=-23!,f=-23!) USER MOD Single : A 45 CYS SG : rot -38:sc= -8.47! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : +bothHN:sc= -7.32! C(o=-7.3!,f=-12!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -134:sc= -9.7! (180deg=-13.3!) USER MOD Single : A 55 MET CE :methyl -178:sc= -5.83! (180deg=-5.95!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -2.8! USER MOD Single : A 62 MET CE :methyl -105:sc= -1.21 (180deg=-2.5!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.21! C(o=-4.7!,f=-2.2!) USER MOD Single : A 72 SER OG : rot -176:sc= -2.21! USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0646) USER MOD Single : A 85 MET CE :methyl 180:sc= -0.353 (180deg=-0.353) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00895 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 160:sc= -0.996 (180deg=-2.8!) USER MOD Single : A 95 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.1!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -161:sc= -4.72! (180deg=-5.13!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.283 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 HD1:sc= -14.9! C(o=-15!,f=-18!) USER MOD Single : A 126 MET CE :methyl -153:sc= -0.183 (180deg=-2.41) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 84.787 -16.400 0.334 1.00 0.00 N ATOM 86 CA ASN A 36 84.187 -15.616 1.452 1.00 0.00 C ATOM 87 C ASN A 36 84.692 -14.173 1.410 1.00 0.00 C ATOM 88 O ASN A 36 84.597 -13.441 2.374 1.00 0.00 O ATOM 89 CB ASN A 36 84.673 -16.312 2.720 1.00 0.00 C ATOM 90 CG ASN A 36 83.472 -16.842 3.505 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.383 -16.655 4.702 1.00 0.00 O ATOM 92 ND2 ASN A 36 82.537 -17.502 2.877 1.00 0.00 N ATOM 0 HA ASN A 36 83.099 -15.576 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.343 -17.132 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 36 85.243 -15.615 3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 36 81.732 -17.860 3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 36 82.611 -17.659 1.872 1.00 0.00 H new ATOM 99 N ALA A 37 85.228 -13.763 0.297 1.00 0.00 N ATOM 100 CA ALA A 37 85.744 -12.373 0.175 1.00 0.00 C ATOM 101 C ALA A 37 84.900 -11.597 -0.834 1.00 0.00 C ATOM 102 O ALA A 37 84.352 -12.167 -1.749 1.00 0.00 O ATOM 103 CB ALA A 37 87.180 -12.523 -0.327 1.00 0.00 C ATOM 0 H ALA A 37 85.332 -14.336 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 37 85.702 -11.828 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.630 -11.537 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.758 -13.104 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.177 -13.036 -1.289 1.00 0.00 H new ATOM 109 N VAL A 38 84.788 -10.310 -0.655 1.00 0.00 N ATOM 110 CA VAL A 38 83.975 -9.461 -1.584 1.00 0.00 C ATOM 111 C VAL A 38 84.607 -8.061 -1.627 1.00 0.00 C ATOM 112 O VAL A 38 85.237 -7.655 -0.670 1.00 0.00 O ATOM 113 CB VAL A 38 82.558 -9.422 -0.975 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.191 -10.797 -0.406 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.494 -8.393 0.153 1.00 0.00 C ATOM 0 H VAL A 38 85.232 -9.798 0.108 1.00 0.00 H new ATOM 0 HA VAL A 38 83.938 -9.843 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 38 81.856 -9.148 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.189 -10.758 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.217 -11.540 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.906 -11.072 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.489 -8.376 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.208 -8.661 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.739 -7.406 -0.240 1.00 0.00 H new ATOM 125 N LYS A 39 84.499 -7.311 -2.704 1.00 0.00 N ATOM 126 CA LYS A 39 85.170 -5.978 -2.685 1.00 0.00 C ATOM 127 C LYS A 39 84.227 -4.920 -2.105 1.00 0.00 C ATOM 128 O LYS A 39 83.363 -4.401 -2.775 1.00 0.00 O ATOM 129 CB LYS A 39 85.450 -5.681 -4.145 1.00 0.00 C ATOM 130 CG LYS A 39 86.363 -4.459 -4.254 1.00 0.00 C ATOM 131 CD LYS A 39 87.638 -4.712 -3.449 1.00 0.00 C ATOM 132 CE LYS A 39 88.859 -4.333 -4.293 1.00 0.00 C ATOM 133 NZ LYS A 39 88.792 -5.213 -5.498 1.00 0.00 N ATOM 0 H LYS A 39 83.997 -7.554 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 39 86.072 -5.972 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.921 -6.543 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 39 84.515 -5.498 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 39 86.610 -4.266 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 39 85.851 -3.573 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.622 -4.127 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.695 -5.761 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 39 88.832 -3.280 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.785 -4.493 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.753 -5.499 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.228 -6.059 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.348 -4.694 -6.282 1.00 0.00 H new ATOM 147 N VAL A 40 84.383 -4.618 -0.842 1.00 0.00 N ATOM 148 CA VAL A 40 83.479 -3.626 -0.188 1.00 0.00 C ATOM 149 C VAL A 40 84.037 -2.202 -0.213 1.00 0.00 C ATOM 150 O VAL A 40 85.229 -1.968 -0.167 1.00 0.00 O ATOM 151 CB VAL A 40 83.356 -4.097 1.262 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.162 -3.404 1.922 1.00 0.00 C ATOM 153 CG2 VAL A 40 83.149 -5.609 1.300 1.00 0.00 C ATOM 0 H VAL A 40 85.099 -5.017 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 40 82.527 -3.582 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 40 84.270 -3.846 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 40 82.073 -3.739 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 82.311 -2.324 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 81.250 -3.655 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 40 83.062 -5.938 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 40 82.237 -5.865 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 40 83.999 -6.105 0.832 1.00 0.00 H new ATOM 163 N ARG A 41 83.144 -1.255 -0.243 1.00 0.00 N ATOM 164 CA ARG A 41 83.514 0.187 -0.222 1.00 0.00 C ATOM 165 C ARG A 41 82.503 0.878 0.695 1.00 0.00 C ATOM 166 O ARG A 41 81.395 0.401 0.846 1.00 0.00 O ATOM 167 CB ARG A 41 83.381 0.662 -1.667 1.00 0.00 C ATOM 168 CG ARG A 41 84.651 0.298 -2.440 1.00 0.00 C ATOM 169 CD ARG A 41 84.269 -0.396 -3.749 1.00 0.00 C ATOM 170 NE ARG A 41 85.118 0.252 -4.787 1.00 0.00 N ATOM 171 CZ ARG A 41 85.231 -0.288 -5.969 1.00 0.00 C ATOM 172 NH1 ARG A 41 85.416 -1.574 -6.084 1.00 0.00 N ATOM 173 NH2 ARG A 41 85.158 0.459 -7.037 1.00 0.00 N ATOM 0 H ARG A 41 82.139 -1.427 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 41 84.520 0.395 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.512 0.200 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 41 83.222 1.740 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.233 1.196 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 41 85.281 -0.358 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 41 84.457 -1.468 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 41 83.209 -0.269 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 41 85.611 1.119 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 41 85.472 -2.158 -5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 41 85.504 -1.996 -7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 41 85.013 1.465 -6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 41 85.246 0.037 -7.961 1.00 0.00 H new ATOM 187 N HIS A 42 82.852 1.940 1.368 1.00 0.00 N ATOM 188 CA HIS A 42 81.845 2.522 2.308 1.00 0.00 C ATOM 189 C HIS A 42 81.863 4.055 2.383 1.00 0.00 C ATOM 190 O HIS A 42 82.899 4.685 2.470 1.00 0.00 O ATOM 191 CB HIS A 42 82.241 1.935 3.660 1.00 0.00 C ATOM 192 CG HIS A 42 83.728 2.070 3.830 1.00 0.00 C ATOM 193 ND1 HIS A 42 84.296 3.123 4.521 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.772 1.304 3.381 1.00 0.00 C ATOM 195 CE1 HIS A 42 85.631 2.964 4.471 1.00 0.00 C ATOM 196 NE2 HIS A 42 85.975 1.870 3.787 1.00 0.00 N ATOM 0 H HIS A 42 83.752 2.416 1.315 1.00 0.00 H new ATOM 0 HA HIS A 42 80.834 2.281 1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.720 2.455 4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 42 81.948 0.887 3.717 1.00 0.00 H new ATOM 0 HD1 HIS A 42 83.795 3.882 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 42 84.675 0.399 2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 42 86.339 3.639 4.929 1.00 0.00 H new ATOM 204 N ILE A 43 80.692 4.639 2.407 1.00 0.00 N ATOM 205 CA ILE A 43 80.561 6.121 2.540 1.00 0.00 C ATOM 206 C ILE A 43 79.568 6.404 3.683 1.00 0.00 C ATOM 207 O ILE A 43 78.406 6.065 3.595 1.00 0.00 O ATOM 208 CB ILE A 43 80.040 6.609 1.168 1.00 0.00 C ATOM 209 CG1 ILE A 43 80.870 7.808 0.713 1.00 0.00 C ATOM 210 CG2 ILE A 43 78.569 7.031 1.244 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.423 8.226 -0.688 1.00 0.00 C ATOM 0 H ILE A 43 79.805 4.141 2.339 1.00 0.00 H new ATOM 0 HA ILE A 43 81.491 6.634 2.784 1.00 0.00 H new ATOM 0 HB ILE A 43 80.128 5.784 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 43 80.746 8.637 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.929 7.551 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.236 7.368 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 43 77.963 6.182 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 43 78.460 7.843 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.012 9.082 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.570 7.396 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.368 8.499 -0.667 1.00 0.00 H new ATOM 223 N LEU A 44 80.011 6.985 4.767 1.00 0.00 N ATOM 224 CA LEU A 44 79.093 7.235 5.897 1.00 0.00 C ATOM 225 C LEU A 44 78.755 8.727 5.942 1.00 0.00 C ATOM 226 O LEU A 44 79.536 9.569 5.551 1.00 0.00 O ATOM 227 CB LEU A 44 79.934 6.718 7.077 1.00 0.00 C ATOM 228 CG LEU A 44 79.739 7.455 8.406 1.00 0.00 C ATOM 229 CD1 LEU A 44 78.377 8.096 8.586 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.822 6.432 9.503 1.00 0.00 C ATOM 0 H LEU A 44 80.972 7.295 4.911 1.00 0.00 H new ATOM 0 HA LEU A 44 78.117 6.751 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.702 5.664 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.987 6.776 6.802 1.00 0.00 H new ATOM 0 HG LEU A 44 80.497 8.238 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 44 78.334 8.593 9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 78.212 8.828 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.604 7.329 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 79.687 6.921 10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.041 5.684 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.798 5.947 9.475 1.00 0.00 H new ATOM 242 N CYS A 45 77.586 9.045 6.417 1.00 0.00 N ATOM 243 CA CYS A 45 77.168 10.474 6.508 1.00 0.00 C ATOM 244 C CYS A 45 76.668 10.782 7.924 1.00 0.00 C ATOM 245 O CYS A 45 75.627 10.312 8.338 1.00 0.00 O ATOM 246 CB CYS A 45 76.036 10.622 5.494 1.00 0.00 C ATOM 247 SG CYS A 45 76.547 9.896 3.916 1.00 0.00 S ATOM 0 H CYS A 45 76.895 8.373 6.749 1.00 0.00 H new ATOM 0 HA CYS A 45 77.988 11.162 6.301 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.137 10.127 5.861 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.788 11.675 5.360 1.00 0.00 H new ATOM 0 HG CYS A 45 77.805 10.148 3.709 1.00 0.00 H new ATOM 253 N GLU A 46 77.401 11.565 8.671 1.00 0.00 N ATOM 254 CA GLU A 46 76.964 11.895 10.059 1.00 0.00 C ATOM 255 C GLU A 46 75.647 12.673 10.026 1.00 0.00 C ATOM 256 O GLU A 46 74.815 12.543 10.902 1.00 0.00 O ATOM 257 CB GLU A 46 78.083 12.760 10.637 1.00 0.00 C ATOM 258 CG GLU A 46 77.882 12.914 12.146 1.00 0.00 C ATOM 259 CD GLU A 46 77.865 11.532 12.802 1.00 0.00 C ATOM 260 OE1 GLU A 46 78.686 10.710 12.429 1.00 0.00 O ATOM 261 OE2 GLU A 46 77.031 11.319 13.667 1.00 0.00 O ATOM 0 H GLU A 46 78.282 11.989 8.380 1.00 0.00 H new ATOM 0 HA GLU A 46 76.792 11.002 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.052 12.304 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.085 13.739 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 78.683 13.520 12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 46 76.946 13.436 12.348 1.00 0.00 H new ATOM 268 N LYS A 47 75.450 13.476 9.018 1.00 0.00 N ATOM 269 CA LYS A 47 74.184 14.255 8.924 1.00 0.00 C ATOM 270 C LYS A 47 73.234 13.580 7.936 1.00 0.00 C ATOM 271 O LYS A 47 72.147 14.059 7.678 1.00 0.00 O ATOM 272 CB LYS A 47 74.603 15.635 8.413 1.00 0.00 C ATOM 273 CG LYS A 47 75.832 16.114 9.190 1.00 0.00 C ATOM 274 CD LYS A 47 76.131 17.569 8.823 1.00 0.00 C ATOM 275 CE LYS A 47 77.355 18.050 9.604 1.00 0.00 C ATOM 276 NZ LYS A 47 77.146 19.516 9.776 1.00 0.00 N ATOM 0 H LYS A 47 76.111 13.627 8.255 1.00 0.00 H new ATOM 0 HA LYS A 47 73.662 14.320 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.829 15.587 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.784 16.344 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.655 16.027 10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.691 15.485 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.313 17.655 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.270 18.197 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.433 17.546 10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.277 17.843 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 77.945 19.921 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.082 19.970 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 76.264 19.682 10.302 1.00 0.00 H new ATOM 290 N HIS A 48 73.639 12.471 7.377 1.00 0.00 N ATOM 291 CA HIS A 48 72.769 11.758 6.402 1.00 0.00 C ATOM 292 C HIS A 48 72.414 12.686 5.238 1.00 0.00 C ATOM 293 O HIS A 48 71.522 12.413 4.459 1.00 0.00 O ATOM 294 CB HIS A 48 71.526 11.365 7.195 1.00 0.00 C ATOM 295 CG HIS A 48 71.862 10.195 8.083 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.110 10.046 8.671 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.126 9.109 8.488 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.089 8.909 9.389 1.00 0.00 C ATOM 299 NE2 HIS A 48 71.903 8.297 9.312 1.00 0.00 N ATOM 0 H HIS A 48 74.540 12.028 7.556 1.00 0.00 H new ATOM 0 HA HIS A 48 73.256 10.886 5.966 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.180 12.207 7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 48 70.714 11.102 6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 48 73.900 10.684 8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.101 8.914 8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 48 73.928 8.536 9.958 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.626 7.423 9.760 1.00 0.00 H new ATOM 307 N GLY A 49 73.124 13.773 5.108 1.00 0.00 N ATOM 308 CA GLY A 49 72.854 14.714 3.987 1.00 0.00 C ATOM 309 C GLY A 49 73.821 14.391 2.849 1.00 0.00 C ATOM 310 O GLY A 49 73.485 14.481 1.685 1.00 0.00 O ATOM 0 H GLY A 49 73.882 14.050 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.822 14.616 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.985 15.745 4.316 1.00 0.00 H new ATOM 314 N LYS A 50 75.020 13.998 3.185 1.00 0.00 N ATOM 315 CA LYS A 50 76.016 13.648 2.134 1.00 0.00 C ATOM 316 C LYS A 50 75.686 12.275 1.559 1.00 0.00 C ATOM 317 O LYS A 50 76.120 11.927 0.482 1.00 0.00 O ATOM 318 CB LYS A 50 77.369 13.628 2.847 1.00 0.00 C ATOM 319 CG LYS A 50 77.480 14.841 3.771 1.00 0.00 C ATOM 320 CD LYS A 50 77.288 14.396 5.223 1.00 0.00 C ATOM 321 CE LYS A 50 78.654 14.239 5.893 1.00 0.00 C ATOM 322 NZ LYS A 50 78.990 15.600 6.396 1.00 0.00 N ATOM 0 H LYS A 50 75.353 13.904 4.145 1.00 0.00 H new ATOM 0 HA LYS A 50 76.016 14.356 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.474 12.709 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 50 78.177 13.640 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.454 15.315 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.728 15.584 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.688 15.129 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.744 13.452 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.614 13.515 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.403 13.883 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 79.915 15.576 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.027 16.266 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.263 15.910 7.072 1.00 0.00 H new ATOM 336 N ILE A 51 74.907 11.494 2.255 1.00 0.00 N ATOM 337 CA ILE A 51 74.551 10.160 1.708 1.00 0.00 C ATOM 338 C ILE A 51 73.980 10.360 0.308 1.00 0.00 C ATOM 339 O ILE A 51 74.352 9.685 -0.631 1.00 0.00 O ATOM 340 CB ILE A 51 73.510 9.580 2.674 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.462 8.060 2.509 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.127 10.170 2.382 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.757 7.451 3.051 1.00 0.00 C ATOM 0 H ILE A 51 74.507 11.719 3.166 1.00 0.00 H new ATOM 0 HA ILE A 51 75.399 9.481 1.624 1.00 0.00 H new ATOM 0 HB ILE A 51 73.792 9.834 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.604 7.652 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.337 7.801 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.398 9.749 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.160 11.253 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.837 9.928 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.726 6.368 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.607 7.851 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 51 74.862 7.700 4.107 1.00 0.00 H new ATOM 355 N MET A 52 73.100 11.313 0.156 1.00 0.00 N ATOM 356 CA MET A 52 72.531 11.591 -1.177 1.00 0.00 C ATOM 357 C MET A 52 73.586 12.259 -2.038 1.00 0.00 C ATOM 358 O MET A 52 73.814 11.884 -3.170 1.00 0.00 O ATOM 359 CB MET A 52 71.372 12.541 -0.907 1.00 0.00 C ATOM 360 CG MET A 52 70.248 12.256 -1.889 1.00 0.00 C ATOM 361 SD MET A 52 70.900 12.251 -3.581 1.00 0.00 S ATOM 362 CE MET A 52 71.694 13.880 -3.549 1.00 0.00 C ATOM 0 H MET A 52 72.754 11.910 0.907 1.00 0.00 H new ATOM 0 HA MET A 52 72.203 10.694 -1.702 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.016 12.417 0.116 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.704 13.575 -1.006 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.790 11.293 -1.663 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.468 13.011 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.443 14.425 -4.459 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.342 14.439 -2.682 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.775 13.757 -3.487 1.00 0.00 H new ATOM 372 N GLU A 53 74.266 13.220 -1.491 1.00 0.00 N ATOM 373 CA GLU A 53 75.344 13.872 -2.262 1.00 0.00 C ATOM 374 C GLU A 53 76.269 12.759 -2.700 1.00 0.00 C ATOM 375 O GLU A 53 76.880 12.801 -3.743 1.00 0.00 O ATOM 376 CB GLU A 53 76.043 14.822 -1.287 1.00 0.00 C ATOM 377 CG GLU A 53 76.236 16.184 -1.958 1.00 0.00 C ATOM 378 CD GLU A 53 77.313 16.972 -1.209 1.00 0.00 C ATOM 379 OE1 GLU A 53 77.751 16.500 -0.172 1.00 0.00 O ATOM 380 OE2 GLU A 53 77.682 18.033 -1.684 1.00 0.00 O ATOM 0 H GLU A 53 74.121 13.579 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 53 75.004 14.430 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.449 14.932 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 53 77.007 14.411 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.526 16.050 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 75.298 16.738 -1.957 1.00 0.00 H new ATOM 387 N ALA A 54 76.327 11.728 -1.908 1.00 0.00 N ATOM 388 CA ALA A 54 77.166 10.567 -2.275 1.00 0.00 C ATOM 389 C ALA A 54 76.402 9.758 -3.310 1.00 0.00 C ATOM 390 O ALA A 54 76.967 9.174 -4.208 1.00 0.00 O ATOM 391 CB ALA A 54 77.343 9.771 -0.981 1.00 0.00 C ATOM 0 H ALA A 54 75.828 11.643 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 54 78.135 10.839 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.957 8.892 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.831 10.396 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.367 9.457 -0.610 1.00 0.00 H new ATOM 397 N MET A 55 75.104 9.746 -3.197 1.00 0.00 N ATOM 398 CA MET A 55 74.284 8.991 -4.185 1.00 0.00 C ATOM 399 C MET A 55 74.266 9.737 -5.525 1.00 0.00 C ATOM 400 O MET A 55 74.573 9.183 -6.564 1.00 0.00 O ATOM 401 CB MET A 55 72.881 8.941 -3.579 1.00 0.00 C ATOM 402 CG MET A 55 72.895 8.059 -2.327 1.00 0.00 C ATOM 403 SD MET A 55 71.757 6.669 -2.555 1.00 0.00 S ATOM 404 CE MET A 55 71.544 6.258 -0.804 1.00 0.00 C ATOM 0 H MET A 55 74.577 10.224 -2.467 1.00 0.00 H new ATOM 0 HA MET A 55 74.677 7.993 -4.378 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.548 9.947 -3.324 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.173 8.546 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.904 7.690 -2.140 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.602 8.643 -1.454 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.894 5.388 -0.711 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.515 6.035 -0.362 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.095 7.104 -0.284 1.00 0.00 H new ATOM 414 N GLU A 56 73.910 10.991 -5.506 1.00 0.00 N ATOM 415 CA GLU A 56 73.863 11.778 -6.772 1.00 0.00 C ATOM 416 C GLU A 56 75.270 12.005 -7.331 1.00 0.00 C ATOM 417 O GLU A 56 75.609 11.509 -8.388 1.00 0.00 O ATOM 418 CB GLU A 56 73.229 13.112 -6.381 1.00 0.00 C ATOM 419 CG GLU A 56 72.011 13.377 -7.268 1.00 0.00 C ATOM 420 CD GLU A 56 71.496 14.796 -7.013 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.252 15.727 -7.232 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.354 14.926 -6.604 1.00 0.00 O ATOM 0 H GLU A 56 73.649 11.507 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 56 73.301 11.260 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.931 13.092 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.955 13.918 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 56 72.279 13.259 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.227 12.650 -7.055 1.00 0.00 H new ATOM 429 N LYS A 57 76.085 12.762 -6.643 1.00 0.00 N ATOM 430 CA LYS A 57 77.462 13.030 -7.155 1.00 0.00 C ATOM 431 C LYS A 57 78.067 11.761 -7.754 1.00 0.00 C ATOM 432 O LYS A 57 78.386 11.712 -8.926 1.00 0.00 O ATOM 433 CB LYS A 57 78.276 13.497 -5.946 1.00 0.00 C ATOM 434 CG LYS A 57 77.617 14.746 -5.337 1.00 0.00 C ATOM 435 CD LYS A 57 78.409 16.005 -5.710 1.00 0.00 C ATOM 436 CE LYS A 57 79.901 15.777 -5.452 1.00 0.00 C ATOM 437 NZ LYS A 57 80.346 16.978 -4.690 1.00 0.00 N ATOM 0 H LYS A 57 75.858 13.205 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 57 77.456 13.781 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.331 12.702 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.299 13.723 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.591 14.835 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.569 14.647 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.246 16.250 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.055 16.854 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.068 14.863 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.453 15.675 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.385 17.008 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.986 17.836 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.978 16.929 -3.719 1.00 0.00 H new ATOM 451 N LEU A 58 78.219 10.726 -6.973 1.00 0.00 N ATOM 452 CA LEU A 58 78.793 9.472 -7.527 1.00 0.00 C ATOM 453 C LEU A 58 78.121 9.157 -8.867 1.00 0.00 C ATOM 454 O LEU A 58 78.743 8.651 -9.782 1.00 0.00 O ATOM 455 CB LEU A 58 78.467 8.402 -6.489 1.00 0.00 C ATOM 456 CG LEU A 58 79.510 8.442 -5.363 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.667 9.866 -4.824 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.075 7.517 -4.225 1.00 0.00 C ATOM 0 H LEU A 58 77.972 10.696 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 58 79.865 9.537 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.470 8.569 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.460 7.417 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 58 80.467 8.109 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.410 9.873 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.991 10.526 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.711 10.214 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 58 79.817 7.548 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.111 7.846 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.986 6.497 -4.599 1.00 0.00 H new ATOM 470 N LYS A 59 76.856 9.461 -8.992 1.00 0.00 N ATOM 471 CA LYS A 59 76.141 9.189 -10.274 1.00 0.00 C ATOM 472 C LYS A 59 76.358 10.343 -11.256 1.00 0.00 C ATOM 473 O LYS A 59 76.928 10.170 -12.315 1.00 0.00 O ATOM 474 CB LYS A 59 74.664 9.097 -9.895 1.00 0.00 C ATOM 475 CG LYS A 59 74.274 7.633 -9.704 1.00 0.00 C ATOM 476 CD LYS A 59 73.373 7.191 -10.858 1.00 0.00 C ATOM 477 CE LYS A 59 71.911 7.471 -10.502 1.00 0.00 C ATOM 478 NZ LYS A 59 71.282 7.891 -11.786 1.00 0.00 N ATOM 0 H LYS A 59 76.286 9.886 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 59 76.500 8.280 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.478 9.656 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.050 9.549 -10.674 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.167 7.009 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.756 7.505 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 59 73.645 7.723 -11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 59 73.513 6.128 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.426 6.584 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.830 8.253 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 70.276 8.102 -11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 71.761 8.741 -12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 71.369 7.124 -12.483 1.00 0.00 H new ATOM 492 N SER A 60 75.893 11.515 -10.908 1.00 0.00 N ATOM 493 CA SER A 60 76.051 12.701 -11.807 1.00 0.00 C ATOM 494 C SER A 60 77.393 12.651 -12.544 1.00 0.00 C ATOM 495 O SER A 60 77.459 12.857 -13.740 1.00 0.00 O ATOM 496 CB SER A 60 75.998 13.915 -10.878 1.00 0.00 C ATOM 497 OG SER A 60 75.578 13.510 -9.582 1.00 0.00 O ATOM 0 H SER A 60 75.406 11.704 -10.032 1.00 0.00 H new ATOM 0 HA SER A 60 75.276 12.734 -12.573 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.980 14.385 -10.822 1.00 0.00 H new ATOM 0 HB3 SER A 60 75.310 14.660 -11.277 1.00 0.00 H new ATOM 0 HG SER A 60 75.547 14.290 -8.990 1.00 0.00 H new ATOM 503 N GLY A 61 78.462 12.373 -11.846 1.00 0.00 N ATOM 504 CA GLY A 61 79.788 12.307 -12.526 1.00 0.00 C ATOM 505 C GLY A 61 80.865 13.020 -11.695 1.00 0.00 C ATOM 506 O GLY A 61 81.969 13.224 -12.157 1.00 0.00 O ATOM 0 H GLY A 61 78.475 12.190 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 61 80.071 11.266 -12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.719 12.767 -13.512 1.00 0.00 H new ATOM 510 N MET A 62 80.570 13.400 -10.476 1.00 0.00 N ATOM 511 CA MET A 62 81.610 14.091 -9.653 1.00 0.00 C ATOM 512 C MET A 62 82.815 13.174 -9.455 1.00 0.00 C ATOM 513 O MET A 62 83.198 12.433 -10.338 1.00 0.00 O ATOM 514 CB MET A 62 80.945 14.377 -8.308 1.00 0.00 C ATOM 515 CG MET A 62 79.618 15.097 -8.530 1.00 0.00 C ATOM 516 SD MET A 62 79.876 16.883 -8.531 1.00 0.00 S ATOM 517 CE MET A 62 78.179 17.307 -8.980 1.00 0.00 C ATOM 0 H MET A 62 79.668 13.264 -10.021 1.00 0.00 H new ATOM 0 HA MET A 62 81.966 15.003 -10.132 1.00 0.00 H new ATOM 0 HB2 MET A 62 80.777 13.444 -7.769 1.00 0.00 H new ATOM 0 HB3 MET A 62 81.602 14.989 -7.690 1.00 0.00 H new ATOM 0 HG2 MET A 62 79.179 14.784 -9.478 1.00 0.00 H new ATOM 0 HG3 MET A 62 78.911 14.824 -7.746 1.00 0.00 H new ATOM 0 HE1 MET A 62 78.145 17.615 -10.025 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.537 16.438 -8.837 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.829 18.125 -8.350 1.00 0.00 H new ATOM 527 N ARG A 63 83.418 13.219 -8.301 1.00 0.00 N ATOM 528 CA ARG A 63 84.594 12.351 -8.045 1.00 0.00 C ATOM 529 C ARG A 63 84.222 11.212 -7.112 1.00 0.00 C ATOM 530 O ARG A 63 83.307 11.311 -6.323 1.00 0.00 O ATOM 531 CB ARG A 63 85.616 13.230 -7.336 1.00 0.00 C ATOM 532 CG ARG A 63 85.597 14.641 -7.901 1.00 0.00 C ATOM 533 CD ARG A 63 84.605 15.501 -7.109 1.00 0.00 C ATOM 534 NE ARG A 63 85.336 16.772 -6.853 1.00 0.00 N ATOM 535 CZ ARG A 63 85.522 17.619 -7.828 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.542 18.386 -8.218 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.684 17.694 -8.415 1.00 0.00 N ATOM 0 H ARG A 63 83.145 13.821 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 63 84.970 11.928 -8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 63 85.400 13.258 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 63 86.612 12.801 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.594 15.078 -7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.314 14.618 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.691 15.676 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.314 15.016 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 63 85.690 16.980 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.632 18.323 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.685 19.049 -8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.448 17.090 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.829 18.356 -9.177 1.00 0.00 H new ATOM 551 N PHE A 64 84.959 10.149 -7.173 1.00 0.00 N ATOM 552 CA PHE A 64 84.706 9.008 -6.267 1.00 0.00 C ATOM 553 C PHE A 64 85.537 9.200 -4.999 1.00 0.00 C ATOM 554 O PHE A 64 85.182 8.735 -3.936 1.00 0.00 O ATOM 555 CB PHE A 64 85.165 7.770 -7.038 1.00 0.00 C ATOM 556 CG PHE A 64 84.232 7.520 -8.197 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.849 7.673 -8.033 1.00 0.00 C ATOM 558 CD2 PHE A 64 84.751 7.132 -9.437 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.987 7.437 -9.111 1.00 0.00 C ATOM 560 CE2 PHE A 64 83.890 6.896 -10.514 1.00 0.00 C ATOM 561 CZ PHE A 64 82.508 7.048 -10.352 1.00 0.00 C ATOM 0 H PHE A 64 85.736 10.020 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 64 83.661 8.918 -5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 64 86.183 7.912 -7.402 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.181 6.903 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.448 7.973 -7.076 1.00 0.00 H new ATOM 0 HD2 PHE A 64 85.817 7.015 -9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.921 7.555 -8.986 1.00 0.00 H new ATOM 0 HE2 PHE A 64 84.292 6.596 -11.471 1.00 0.00 H new ATOM 0 HZ PHE A 64 81.843 6.865 -11.184 1.00 0.00 H new ATOM 571 N ASN A 65 86.662 9.864 -5.116 1.00 0.00 N ATOM 572 CA ASN A 65 87.541 10.067 -3.928 1.00 0.00 C ATOM 573 C ASN A 65 87.186 11.355 -3.179 1.00 0.00 C ATOM 574 O ASN A 65 87.232 11.401 -1.966 1.00 0.00 O ATOM 575 CB ASN A 65 88.957 10.147 -4.498 1.00 0.00 C ATOM 576 CG ASN A 65 89.864 9.168 -3.749 1.00 0.00 C ATOM 577 OD1 ASN A 65 90.295 8.176 -4.302 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.170 9.406 -2.503 1.00 0.00 N ATOM 0 H ASN A 65 87.007 10.273 -5.984 1.00 0.00 H new ATOM 0 HA ASN A 65 87.429 9.261 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.946 9.909 -5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.342 11.162 -4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 65 90.771 8.759 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 65 89.808 10.239 -2.039 1.00 0.00 H new ATOM 585 N GLU A 66 86.820 12.398 -3.871 1.00 0.00 N ATOM 586 CA GLU A 66 86.457 13.647 -3.148 1.00 0.00 C ATOM 587 C GLU A 66 85.257 13.343 -2.272 1.00 0.00 C ATOM 588 O GLU A 66 85.316 13.419 -1.061 1.00 0.00 O ATOM 589 CB GLU A 66 86.095 14.666 -4.222 1.00 0.00 C ATOM 590 CG GLU A 66 87.291 14.883 -5.154 1.00 0.00 C ATOM 591 CD GLU A 66 88.419 15.568 -4.382 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.956 14.947 -3.479 1.00 0.00 O ATOM 593 OE2 GLU A 66 88.727 16.704 -4.705 1.00 0.00 O ATOM 0 H GLU A 66 86.757 12.440 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 66 87.262 14.028 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.235 14.316 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.807 15.610 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.635 13.928 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.995 15.494 -6.007 1.00 0.00 H new ATOM 600 N VAL A 67 84.167 12.964 -2.873 1.00 0.00 N ATOM 601 CA VAL A 67 82.981 12.616 -2.064 1.00 0.00 C ATOM 602 C VAL A 67 83.387 11.545 -1.050 1.00 0.00 C ATOM 603 O VAL A 67 83.186 11.685 0.139 1.00 0.00 O ATOM 604 CB VAL A 67 81.959 12.052 -3.051 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.488 13.147 -3.997 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.585 10.934 -3.861 1.00 0.00 C ATOM 0 H VAL A 67 84.051 12.882 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 67 82.572 13.468 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 67 81.109 11.665 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.760 12.735 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.026 13.950 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.340 13.541 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.851 10.537 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.442 11.320 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.913 10.139 -3.191 1.00 0.00 H new ATOM 616 N ALA A 68 83.999 10.483 -1.517 1.00 0.00 N ATOM 617 CA ALA A 68 84.442 9.417 -0.586 1.00 0.00 C ATOM 618 C ALA A 68 85.192 10.071 0.555 1.00 0.00 C ATOM 619 O ALA A 68 85.190 9.602 1.674 1.00 0.00 O ATOM 620 CB ALA A 68 85.373 8.520 -1.401 1.00 0.00 C ATOM 0 H ALA A 68 84.207 10.315 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 68 83.617 8.840 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.738 7.708 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.828 8.105 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.217 9.106 -1.764 1.00 0.00 H new ATOM 626 N ALA A 69 85.821 11.174 0.277 1.00 0.00 N ATOM 627 CA ALA A 69 86.555 11.876 1.344 1.00 0.00 C ATOM 628 C ALA A 69 85.575 12.260 2.449 1.00 0.00 C ATOM 629 O ALA A 69 85.563 11.659 3.505 1.00 0.00 O ATOM 630 CB ALA A 69 87.157 13.118 0.682 1.00 0.00 C ATOM 0 H ALA A 69 85.855 11.614 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 69 87.335 11.264 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.719 13.688 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.824 12.813 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.357 13.738 0.277 1.00 0.00 H new ATOM 636 N GLN A 70 84.746 13.248 2.232 1.00 0.00 N ATOM 637 CA GLN A 70 83.789 13.614 3.317 1.00 0.00 C ATOM 638 C GLN A 70 82.458 12.888 3.198 1.00 0.00 C ATOM 639 O GLN A 70 81.893 12.464 4.180 1.00 0.00 O ATOM 640 CB GLN A 70 83.544 15.116 3.245 1.00 0.00 C ATOM 641 CG GLN A 70 84.300 15.829 4.379 1.00 0.00 C ATOM 642 CD GLN A 70 84.231 15.022 5.699 1.00 0.00 C ATOM 643 OE1 GLN A 70 83.264 14.151 5.904 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 85.073 15.192 6.559 1.00 0.00 N flip ATOM 0 H GLN A 70 84.689 13.802 1.378 1.00 0.00 H new ATOM 0 HA GLN A 70 84.230 13.320 4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 70 83.874 15.500 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 70 82.477 15.323 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.342 15.970 4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 70 83.875 16.821 4.534 1.00 0.00 H new ATOM 0 HE21 GLN A 70 85.826 15.864 6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 70 85.027 14.663 7.430 1.00 0.00 H new ATOM 653 N TYR A 71 81.918 12.792 2.024 1.00 0.00 N ATOM 654 CA TYR A 71 80.593 12.136 1.892 1.00 0.00 C ATOM 655 C TYR A 71 80.611 10.834 2.691 1.00 0.00 C ATOM 656 O TYR A 71 79.605 10.389 3.206 1.00 0.00 O ATOM 657 CB TYR A 71 80.386 11.904 0.394 1.00 0.00 C ATOM 658 CG TYR A 71 80.232 13.239 -0.320 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.621 14.452 0.295 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.689 13.265 -1.610 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.464 15.664 -0.386 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.533 14.482 -2.283 1.00 0.00 C ATOM 663 CZ TYR A 71 79.919 15.679 -1.673 1.00 0.00 C ATOM 664 OH TYR A 71 79.762 16.877 -2.339 1.00 0.00 O ATOM 0 H TYR A 71 82.330 13.135 1.156 1.00 0.00 H new ATOM 0 HA TYR A 71 79.772 12.736 2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.233 11.357 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.500 11.290 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.039 14.443 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.390 12.343 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.764 16.589 0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 71 79.113 14.496 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 71 79.483 17.570 -1.705 1.00 0.00 H new ATOM 674 N SER A 72 81.764 10.236 2.811 1.00 0.00 N ATOM 675 CA SER A 72 81.878 8.973 3.594 1.00 0.00 C ATOM 676 C SER A 72 82.057 9.278 5.093 1.00 0.00 C ATOM 677 O SER A 72 81.965 8.400 5.925 1.00 0.00 O ATOM 678 CB SER A 72 83.132 8.294 3.052 1.00 0.00 C ATOM 679 OG SER A 72 83.305 7.040 3.694 1.00 0.00 O ATOM 0 H SER A 72 82.636 10.569 2.399 1.00 0.00 H new ATOM 0 HA SER A 72 80.987 8.352 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.046 8.154 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.004 8.926 3.223 1.00 0.00 H new ATOM 0 HG SER A 72 84.141 6.629 3.390 1.00 0.00 H new ATOM 685 N GLU A 73 82.329 10.517 5.419 1.00 0.00 N ATOM 686 CA GLU A 73 82.549 10.947 6.827 1.00 0.00 C ATOM 687 C GLU A 73 83.075 9.788 7.680 1.00 0.00 C ATOM 688 O GLU A 73 82.350 9.083 8.343 1.00 0.00 O ATOM 689 CB GLU A 73 81.202 11.516 7.293 1.00 0.00 C ATOM 690 CG GLU A 73 80.284 10.416 7.807 1.00 0.00 C ATOM 691 CD GLU A 73 80.374 10.347 9.335 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.444 10.611 9.858 1.00 0.00 O ATOM 693 OE2 GLU A 73 79.371 10.033 9.954 1.00 0.00 O ATOM 0 H GLU A 73 82.410 11.272 4.738 1.00 0.00 H new ATOM 0 HA GLU A 73 83.321 11.710 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.368 12.251 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.720 12.038 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 73 79.256 10.613 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.568 9.458 7.372 1.00 0.00 H new ATOM 700 N ASP A 74 84.365 9.603 7.618 1.00 0.00 N ATOM 701 CA ASP A 74 85.070 8.506 8.368 1.00 0.00 C ATOM 702 C ASP A 74 85.144 7.246 7.502 1.00 0.00 C ATOM 703 O ASP A 74 84.142 6.635 7.188 1.00 0.00 O ATOM 704 CB ASP A 74 84.264 8.239 9.646 1.00 0.00 C ATOM 705 CG ASP A 74 85.171 7.596 10.697 1.00 0.00 C ATOM 706 OD1 ASP A 74 85.902 6.686 10.343 1.00 0.00 O ATOM 707 OD2 ASP A 74 85.119 8.025 11.839 1.00 0.00 O ATOM 0 H ASP A 74 84.988 10.186 7.059 1.00 0.00 H new ATOM 0 HA ASP A 74 86.091 8.795 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 74 83.850 9.172 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 74 83.422 7.583 9.427 1.00 0.00 H new ATOM 712 N LYS A 75 86.329 6.859 7.105 1.00 0.00 N ATOM 713 CA LYS A 75 86.474 5.645 6.248 1.00 0.00 C ATOM 714 C LYS A 75 85.881 5.921 4.860 1.00 0.00 C ATOM 715 O LYS A 75 84.790 5.498 4.541 1.00 0.00 O ATOM 716 CB LYS A 75 85.692 4.549 6.977 1.00 0.00 C ATOM 717 CG LYS A 75 86.628 3.382 7.301 1.00 0.00 C ATOM 718 CD LYS A 75 85.797 2.126 7.573 1.00 0.00 C ATOM 719 CE LYS A 75 86.659 1.087 8.290 1.00 0.00 C ATOM 720 NZ LYS A 75 86.592 1.465 9.730 1.00 0.00 N ATOM 0 H LYS A 75 87.202 7.332 7.338 1.00 0.00 H new ATOM 0 HA LYS A 75 87.514 5.355 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.258 4.946 7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.865 4.204 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 75 87.311 3.207 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 75 87.240 3.622 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 75 84.929 2.377 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 75 85.420 1.717 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 75 86.279 0.078 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 75 87.686 1.104 7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 87.488 1.217 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 86.430 2.489 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 85.811 0.953 10.187 1.00 0.00 H new ATOM 799 N ASP A 81 87.725 2.399 0.720 1.00 0.00 N ATOM 800 CA ASP A 81 87.242 0.998 0.546 1.00 0.00 C ATOM 801 C ASP A 81 88.167 0.016 1.266 1.00 0.00 C ATOM 802 O ASP A 81 89.258 -0.266 0.810 1.00 0.00 O ATOM 803 CB ASP A 81 87.287 0.758 -0.963 1.00 0.00 C ATOM 804 CG ASP A 81 88.710 0.990 -1.474 1.00 0.00 C ATOM 805 OD1 ASP A 81 89.519 1.490 -0.710 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.966 0.662 -2.620 1.00 0.00 O ATOM 0 HA ASP A 81 86.245 0.853 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 81 86.969 -0.260 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 81 86.593 1.429 -1.470 1.00 0.00 H new ATOM 811 N LEU A 82 87.745 -0.515 2.385 1.00 0.00 N ATOM 812 CA LEU A 82 88.611 -1.479 3.115 1.00 0.00 C ATOM 813 C LEU A 82 89.238 -2.470 2.132 1.00 0.00 C ATOM 814 O LEU A 82 90.299 -3.013 2.371 1.00 0.00 O ATOM 815 CB LEU A 82 87.667 -2.208 4.075 1.00 0.00 C ATOM 816 CG LEU A 82 87.081 -1.249 5.131 1.00 0.00 C ATOM 817 CD1 LEU A 82 87.854 0.077 5.182 1.00 0.00 C ATOM 818 CD2 LEU A 82 85.613 -0.974 4.810 1.00 0.00 C ATOM 0 H LEU A 82 86.843 -0.322 2.820 1.00 0.00 H new ATOM 0 HA LEU A 82 89.429 -0.986 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.856 -2.668 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 82 88.205 -3.014 4.573 1.00 0.00 H new ATOM 0 HG LEU A 82 87.169 -1.726 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 82 87.412 0.727 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 82 88.896 -0.119 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 82 87.803 0.565 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 82 85.198 -0.296 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.536 -0.518 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 82 85.056 -1.911 4.822 1.00 0.00 H new ATOM 830 N GLY A 83 88.586 -2.712 1.027 1.00 0.00 N ATOM 831 CA GLY A 83 89.138 -3.669 0.030 1.00 0.00 C ATOM 832 C GLY A 83 88.580 -5.066 0.312 1.00 0.00 C ATOM 833 O GLY A 83 87.604 -5.223 1.018 1.00 0.00 O ATOM 0 H GLY A 83 87.694 -2.287 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.872 -3.355 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.227 -3.681 0.084 1.00 0.00 H new ATOM 837 N TRP A 84 89.191 -6.081 -0.233 1.00 0.00 N ATOM 838 CA TRP A 84 88.694 -7.464 0.009 1.00 0.00 C ATOM 839 C TRP A 84 88.346 -7.649 1.487 1.00 0.00 C ATOM 840 O TRP A 84 89.040 -7.171 2.362 1.00 0.00 O ATOM 841 CB TRP A 84 89.854 -8.373 -0.394 1.00 0.00 C ATOM 842 CG TRP A 84 89.767 -8.656 -1.856 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.728 -8.368 -2.758 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.677 -9.273 -2.599 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.299 -8.765 -4.011 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.039 -9.329 -3.964 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.420 -9.781 -2.223 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.185 -9.872 -4.925 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.559 -10.329 -3.187 1.00 0.00 C ATOM 850 CH2 TRP A 84 86.940 -10.374 -4.535 1.00 0.00 C ATOM 0 H TRP A 84 90.012 -6.013 -0.835 1.00 0.00 H new ATOM 0 HA TRP A 84 87.789 -7.686 -0.556 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.805 -7.895 -0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.817 -9.304 0.172 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.678 -7.903 -2.537 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.846 -8.655 -4.865 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.116 -9.749 -1.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.484 -9.904 -5.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.597 -10.718 -2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.272 -10.796 -5.272 1.00 0.00 H new ATOM 861 N MET A 85 87.272 -8.335 1.775 1.00 0.00 N ATOM 862 CA MET A 85 86.883 -8.541 3.199 1.00 0.00 C ATOM 863 C MET A 85 86.224 -9.910 3.378 1.00 0.00 C ATOM 864 O MET A 85 85.444 -10.347 2.553 1.00 0.00 O ATOM 865 CB MET A 85 85.885 -7.422 3.500 1.00 0.00 C ATOM 866 CG MET A 85 86.581 -6.320 4.302 1.00 0.00 C ATOM 867 SD MET A 85 86.592 -6.766 6.057 1.00 0.00 S ATOM 868 CE MET A 85 85.418 -5.510 6.620 1.00 0.00 C ATOM 0 H MET A 85 86.650 -8.760 1.088 1.00 0.00 H new ATOM 0 HA MET A 85 87.742 -8.515 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.488 -7.014 2.570 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.039 -7.816 4.062 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.602 -6.184 3.944 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.064 -5.371 4.160 1.00 0.00 H new ATOM 0 HE1 MET A 85 85.273 -5.604 7.696 1.00 0.00 H new ATOM 0 HE2 MET A 85 85.808 -4.518 6.391 1.00 0.00 H new ATOM 0 HE3 MET A 85 84.464 -5.650 6.112 1.00 0.00 H new ATOM 878 N THR A 86 86.528 -10.591 4.449 1.00 0.00 N ATOM 879 CA THR A 86 85.918 -11.929 4.679 1.00 0.00 C ATOM 880 C THR A 86 85.237 -11.972 6.050 1.00 0.00 C ATOM 881 O THR A 86 85.644 -11.302 6.977 1.00 0.00 O ATOM 882 CB THR A 86 87.088 -12.911 4.626 1.00 0.00 C ATOM 883 OG1 THR A 86 88.280 -12.246 5.018 1.00 0.00 O ATOM 884 CG2 THR A 86 87.243 -13.448 3.203 1.00 0.00 C ATOM 0 H THR A 86 87.173 -10.277 5.174 1.00 0.00 H new ATOM 0 HA THR A 86 85.153 -12.168 3.940 1.00 0.00 H new ATOM 0 HB THR A 86 86.896 -13.742 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 86 89.031 -12.875 4.986 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.078 -14.148 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.328 -13.959 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.434 -12.620 2.520 1.00 0.00 H new ATOM 892 N ARG A 87 84.202 -12.755 6.180 1.00 0.00 N ATOM 893 CA ARG A 87 83.490 -12.843 7.488 1.00 0.00 C ATOM 894 C ARG A 87 84.497 -12.890 8.642 1.00 0.00 C ATOM 895 O ARG A 87 84.212 -12.467 9.745 1.00 0.00 O ATOM 896 CB ARG A 87 82.696 -14.148 7.417 1.00 0.00 C ATOM 897 CG ARG A 87 81.637 -14.161 8.522 1.00 0.00 C ATOM 898 CD ARG A 87 82.224 -14.792 9.785 1.00 0.00 C ATOM 899 NE ARG A 87 81.089 -15.530 10.406 1.00 0.00 N ATOM 900 CZ ARG A 87 81.148 -16.828 10.533 1.00 0.00 C ATOM 901 NH1 ARG A 87 81.620 -17.559 9.561 1.00 0.00 N ATOM 902 NH2 ARG A 87 80.732 -17.395 11.632 1.00 0.00 N ATOM 0 H ARG A 87 83.817 -13.339 5.437 1.00 0.00 H new ATOM 0 HA ARG A 87 82.847 -11.981 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.220 -14.244 6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 87 83.366 -15.000 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 87 81.303 -13.145 8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.762 -14.723 8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 87 83.048 -15.464 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 87 82.618 -14.032 10.460 1.00 0.00 H new ATOM 0 HE ARG A 87 80.267 -15.022 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 87 81.943 -17.116 8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 87 81.666 -18.573 9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 87 80.361 -16.824 12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.778 -18.409 11.732 1.00 0.00 H new ATOM 916 N GLY A 88 85.671 -13.402 8.397 1.00 0.00 N ATOM 917 CA GLY A 88 86.692 -13.475 9.479 1.00 0.00 C ATOM 918 C GLY A 88 87.000 -12.065 9.985 1.00 0.00 C ATOM 919 O GLY A 88 87.548 -11.884 11.055 1.00 0.00 O ATOM 0 H GLY A 88 85.968 -13.773 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 88 86.326 -14.095 10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 88 87.601 -13.945 9.105 1.00 0.00 H new ATOM 923 N SER A 89 86.652 -11.063 9.225 1.00 0.00 N ATOM 924 CA SER A 89 86.926 -9.664 9.664 1.00 0.00 C ATOM 925 C SER A 89 85.613 -8.935 9.960 1.00 0.00 C ATOM 926 O SER A 89 85.325 -8.590 11.090 1.00 0.00 O ATOM 927 CB SER A 89 87.646 -9.013 8.483 1.00 0.00 C ATOM 928 OG SER A 89 88.751 -8.260 8.960 1.00 0.00 O ATOM 0 H SER A 89 86.190 -11.152 8.320 1.00 0.00 H new ATOM 0 HA SER A 89 87.522 -9.627 10.576 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.987 -9.777 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 89 86.960 -8.366 7.937 1.00 0.00 H new ATOM 0 HG SER A 89 89.214 -7.844 8.203 1.00 0.00 H new ATOM 934 N MET A 90 84.814 -8.697 8.956 1.00 0.00 N ATOM 935 CA MET A 90 83.521 -7.989 9.184 1.00 0.00 C ATOM 936 C MET A 90 82.743 -8.662 10.319 1.00 0.00 C ATOM 937 O MET A 90 83.045 -9.768 10.719 1.00 0.00 O ATOM 938 CB MET A 90 82.761 -8.117 7.864 1.00 0.00 C ATOM 939 CG MET A 90 82.683 -9.591 7.458 1.00 0.00 C ATOM 940 SD MET A 90 81.605 -9.765 6.013 1.00 0.00 S ATOM 941 CE MET A 90 82.156 -8.281 5.136 1.00 0.00 C ATOM 0 H MET A 90 85.000 -8.962 7.989 1.00 0.00 H new ATOM 0 HA MET A 90 83.665 -6.948 9.472 1.00 0.00 H new ATOM 0 HB2 MET A 90 81.758 -7.705 7.969 1.00 0.00 H new ATOM 0 HB3 MET A 90 83.263 -7.541 7.086 1.00 0.00 H new ATOM 0 HG2 MET A 90 83.679 -9.969 7.229 1.00 0.00 H new ATOM 0 HG3 MET A 90 82.298 -10.187 8.286 1.00 0.00 H new ATOM 0 HE1 MET A 90 81.898 -8.365 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 90 81.666 -7.405 5.560 1.00 0.00 H new ATOM 0 HE3 MET A 90 83.236 -8.178 5.239 1.00 0.00 H new ATOM 951 N VAL A 91 81.748 -7.999 10.843 1.00 0.00 N ATOM 952 CA VAL A 91 80.957 -8.600 11.955 1.00 0.00 C ATOM 953 C VAL A 91 79.582 -7.932 12.055 1.00 0.00 C ATOM 954 O VAL A 91 79.238 -7.077 11.263 1.00 0.00 O ATOM 955 CB VAL A 91 81.774 -8.314 13.214 1.00 0.00 C ATOM 956 CG1 VAL A 91 83.028 -9.190 13.219 1.00 0.00 C ATOM 957 CG2 VAL A 91 82.181 -6.839 13.225 1.00 0.00 C ATOM 0 H VAL A 91 81.449 -7.069 10.550 1.00 0.00 H new ATOM 0 HA VAL A 91 80.783 -9.666 11.806 1.00 0.00 H new ATOM 0 HB VAL A 91 81.176 -8.536 14.098 1.00 0.00 H new ATOM 0 HG11 VAL A 91 83.611 -8.986 14.117 1.00 0.00 H new ATOM 0 HG12 VAL A 91 82.738 -10.241 13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 91 83.630 -8.969 12.338 1.00 0.00 H new ATOM 0 HG21 VAL A 91 82.764 -6.629 14.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.782 -6.621 12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 91 81.287 -6.215 13.219 1.00 0.00 H new ATOM 967 N GLY A 92 78.798 -8.314 13.028 1.00 0.00 N ATOM 968 CA GLY A 92 77.449 -7.701 13.187 1.00 0.00 C ATOM 969 C GLY A 92 76.780 -7.568 11.814 1.00 0.00 C ATOM 970 O GLY A 92 76.962 -8.410 10.957 1.00 0.00 O ATOM 0 H GLY A 92 79.035 -9.025 13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 92 76.834 -8.316 13.844 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.537 -6.721 13.657 1.00 0.00 H new ATOM 974 N PRO A 93 76.022 -6.510 11.643 1.00 0.00 N ATOM 975 CA PRO A 93 75.325 -6.271 10.358 1.00 0.00 C ATOM 976 C PRO A 93 76.335 -6.169 9.211 1.00 0.00 C ATOM 977 O PRO A 93 76.042 -6.502 8.081 1.00 0.00 O ATOM 978 CB PRO A 93 74.619 -4.933 10.598 1.00 0.00 C ATOM 979 CG PRO A 93 74.940 -4.454 12.028 1.00 0.00 C ATOM 980 CD PRO A 93 75.826 -5.502 12.714 1.00 0.00 C ATOM 0 HA PRO A 93 74.639 -7.070 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.951 -4.194 9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.542 -5.046 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.449 -3.491 11.998 1.00 0.00 H new ATOM 0 HG3 PRO A 93 74.019 -4.310 12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.772 -5.077 13.049 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.342 -5.931 13.591 1.00 0.00 H new ATOM 988 N PHE A 94 77.522 -5.706 9.496 1.00 0.00 N ATOM 989 CA PHE A 94 78.551 -5.577 8.424 1.00 0.00 C ATOM 990 C PHE A 94 78.530 -6.805 7.508 1.00 0.00 C ATOM 991 O PHE A 94 78.568 -6.688 6.299 1.00 0.00 O ATOM 992 CB PHE A 94 79.887 -5.487 9.164 1.00 0.00 C ATOM 993 CG PHE A 94 80.705 -4.361 8.581 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.150 -3.082 8.458 1.00 0.00 C ATOM 995 CD2 PHE A 94 82.021 -4.596 8.163 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.910 -2.038 7.915 1.00 0.00 C ATOM 997 CE2 PHE A 94 82.780 -3.552 7.621 1.00 0.00 C ATOM 998 CZ PHE A 94 82.224 -2.273 7.497 1.00 0.00 C ATOM 0 H PHE A 94 77.824 -5.411 10.425 1.00 0.00 H new ATOM 0 HA PHE A 94 78.373 -4.708 7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.716 -5.315 10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.429 -6.429 9.076 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.136 -2.900 8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 94 82.450 -5.582 8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 94 80.481 -1.051 7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 94 83.795 -3.733 7.298 1.00 0.00 H new ATOM 0 HZ PHE A 94 82.810 -1.468 7.079 1.00 0.00 H new ATOM 1008 N GLN A 95 78.478 -7.981 8.072 1.00 0.00 N ATOM 1009 CA GLN A 95 78.463 -9.211 7.228 1.00 0.00 C ATOM 1010 C GLN A 95 77.026 -9.613 6.882 1.00 0.00 C ATOM 1011 O GLN A 95 76.740 -10.048 5.786 1.00 0.00 O ATOM 1012 CB GLN A 95 79.125 -10.288 8.090 1.00 0.00 C ATOM 1013 CG GLN A 95 78.882 -11.662 7.463 1.00 0.00 C ATOM 1014 CD GLN A 95 77.581 -12.252 8.014 1.00 0.00 C ATOM 1015 OE1 GLN A 95 76.737 -12.699 7.263 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.381 -12.271 9.304 1.00 0.00 N ATOM 0 H GLN A 95 78.445 -8.144 9.078 1.00 0.00 H new ATOM 0 HA GLN A 95 78.982 -9.062 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.195 -10.097 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.719 -10.261 9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.823 -11.573 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.717 -12.327 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 95 78.089 -11.896 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.517 -12.661 9.680 1.00 0.00 H new ATOM 1025 N GLU A 96 76.122 -9.478 7.813 1.00 0.00 N ATOM 1026 CA GLU A 96 74.707 -9.861 7.541 1.00 0.00 C ATOM 1027 C GLU A 96 74.191 -9.170 6.274 1.00 0.00 C ATOM 1028 O GLU A 96 73.483 -9.759 5.483 1.00 0.00 O ATOM 1029 CB GLU A 96 73.928 -9.385 8.767 1.00 0.00 C ATOM 1030 CG GLU A 96 73.552 -10.592 9.632 1.00 0.00 C ATOM 1031 CD GLU A 96 72.708 -10.124 10.819 1.00 0.00 C ATOM 1032 OE1 GLU A 96 72.039 -9.114 10.684 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.744 -10.786 11.843 1.00 0.00 O ATOM 0 H GLU A 96 76.302 -9.119 8.751 1.00 0.00 H new ATOM 0 HA GLU A 96 74.599 -10.933 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.530 -8.684 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 96 73.029 -8.853 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 96 72.995 -11.318 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.452 -11.093 9.987 1.00 0.00 H new ATOM 1040 N ALA A 97 74.533 -7.925 6.077 1.00 0.00 N ATOM 1041 CA ALA A 97 74.053 -7.207 4.861 1.00 0.00 C ATOM 1042 C ALA A 97 75.046 -7.381 3.710 1.00 0.00 C ATOM 1043 O ALA A 97 74.886 -8.236 2.862 1.00 0.00 O ATOM 1044 CB ALA A 97 73.970 -5.737 5.278 1.00 0.00 C ATOM 0 H ALA A 97 75.122 -7.376 6.703 1.00 0.00 H new ATOM 0 HA ALA A 97 73.094 -7.589 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.623 -5.139 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.272 -5.633 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.956 -5.390 5.587 1.00 0.00 H new ATOM 1050 N ALA A 98 76.062 -6.566 3.677 1.00 0.00 N ATOM 1051 CA ALA A 98 77.076 -6.658 2.583 1.00 0.00 C ATOM 1052 C ALA A 98 77.354 -8.119 2.210 1.00 0.00 C ATOM 1053 O ALA A 98 77.019 -8.567 1.132 1.00 0.00 O ATOM 1054 CB ALA A 98 78.335 -6.009 3.157 1.00 0.00 C ATOM 0 H ALA A 98 76.237 -5.834 4.365 1.00 0.00 H new ATOM 0 HA ALA A 98 76.732 -6.167 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.130 -6.036 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.122 -4.973 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.652 -6.554 4.046 1.00 0.00 H new ATOM 1060 N PHE A 99 77.972 -8.861 3.090 1.00 0.00 N ATOM 1061 CA PHE A 99 78.281 -10.288 2.782 1.00 0.00 C ATOM 1062 C PHE A 99 77.104 -10.953 2.064 1.00 0.00 C ATOM 1063 O PHE A 99 77.254 -11.528 1.005 1.00 0.00 O ATOM 1064 CB PHE A 99 78.520 -10.946 4.141 1.00 0.00 C ATOM 1065 CG PHE A 99 79.630 -11.961 4.017 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.931 -11.542 3.714 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.360 -13.323 4.203 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.961 -12.482 3.598 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.390 -14.263 4.086 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.691 -13.843 3.784 1.00 0.00 C ATOM 0 H PHE A 99 78.276 -8.540 4.009 1.00 0.00 H new ATOM 0 HA PHE A 99 79.144 -10.384 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.783 -10.191 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.607 -11.429 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 99 81.140 -10.492 3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.357 -13.648 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.964 -12.158 3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.181 -15.313 4.229 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.486 -14.569 3.695 1.00 0.00 H new ATOM 1080 N ALA A 100 75.938 -10.882 2.636 1.00 0.00 N ATOM 1081 CA ALA A 100 74.751 -11.514 1.991 1.00 0.00 C ATOM 1082 C ALA A 100 74.097 -10.541 1.007 1.00 0.00 C ATOM 1083 O ALA A 100 72.958 -10.713 0.618 1.00 0.00 O ATOM 1084 CB ALA A 100 73.798 -11.832 3.143 1.00 0.00 C ATOM 0 H ALA A 100 75.752 -10.414 3.523 1.00 0.00 H new ATOM 0 HA ALA A 100 75.018 -12.405 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.896 -12.301 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 100 74.286 -12.512 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.532 -10.910 3.660 1.00 0.00 H new ATOM 1090 N LEU A 101 74.802 -9.520 0.602 1.00 0.00 N ATOM 1091 CA LEU A 101 74.210 -8.542 -0.353 1.00 0.00 C ATOM 1092 C LEU A 101 74.887 -8.650 -1.726 1.00 0.00 C ATOM 1093 O LEU A 101 76.051 -8.989 -1.815 1.00 0.00 O ATOM 1094 CB LEU A 101 74.475 -7.173 0.268 1.00 0.00 C ATOM 1095 CG LEU A 101 73.322 -6.811 1.202 1.00 0.00 C ATOM 1096 CD1 LEU A 101 73.694 -5.563 2.005 1.00 0.00 C ATOM 1097 CD2 LEU A 101 72.066 -6.532 0.375 1.00 0.00 C ATOM 0 H LEU A 101 75.760 -9.321 0.891 1.00 0.00 H new ATOM 0 HA LEU A 101 73.147 -8.721 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 101 75.415 -7.187 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 101 74.576 -6.420 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 101 73.130 -7.639 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 101 72.873 -5.302 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 101 74.590 -5.762 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 101 73.884 -4.735 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 101 71.242 -6.274 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 101 72.256 -5.703 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 101 71.804 -7.421 -0.199 1.00 0.00 H new ATOM 1109 N PRO A 102 74.132 -8.357 -2.758 1.00 0.00 N ATOM 1110 CA PRO A 102 74.665 -8.424 -4.140 1.00 0.00 C ATOM 1111 C PRO A 102 75.774 -7.390 -4.344 1.00 0.00 C ATOM 1112 O PRO A 102 75.753 -6.320 -3.768 1.00 0.00 O ATOM 1113 CB PRO A 102 73.443 -8.071 -4.991 1.00 0.00 C ATOM 1114 CG PRO A 102 72.248 -7.804 -4.055 1.00 0.00 C ATOM 1115 CD PRO A 102 72.713 -7.952 -2.602 1.00 0.00 C ATOM 0 HA PRO A 102 75.105 -9.390 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.649 -7.191 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.211 -8.887 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.853 -6.802 -4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.440 -8.505 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.616 -7.018 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 102 72.133 -8.703 -2.065 1.00 0.00 H new ATOM 1123 N VAL A 103 76.737 -7.696 -5.168 1.00 0.00 N ATOM 1124 CA VAL A 103 77.832 -6.745 -5.423 1.00 0.00 C ATOM 1125 C VAL A 103 77.277 -5.421 -5.955 1.00 0.00 C ATOM 1126 O VAL A 103 76.087 -5.269 -6.150 1.00 0.00 O ATOM 1127 CB VAL A 103 78.687 -7.445 -6.472 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.474 -8.577 -5.813 1.00 0.00 C ATOM 1129 CG2 VAL A 103 77.808 -8.013 -7.587 1.00 0.00 C ATOM 0 H VAL A 103 76.805 -8.577 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 103 78.399 -6.495 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 103 79.376 -6.720 -6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.086 -9.079 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 103 80.117 -8.168 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 103 78.781 -9.293 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 103 78.435 -8.509 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.105 -8.732 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.256 -7.203 -8.064 1.00 0.00 H new ATOM 1139 N SER A 104 78.134 -4.467 -6.188 1.00 0.00 N ATOM 1140 CA SER A 104 77.671 -3.145 -6.705 1.00 0.00 C ATOM 1141 C SER A 104 76.661 -2.509 -5.742 1.00 0.00 C ATOM 1142 O SER A 104 75.683 -3.120 -5.356 1.00 0.00 O ATOM 1143 CB SER A 104 77.012 -3.457 -8.048 1.00 0.00 C ATOM 1144 OG SER A 104 77.991 -3.418 -9.075 1.00 0.00 O ATOM 0 H SER A 104 79.141 -4.545 -6.042 1.00 0.00 H new ATOM 0 HA SER A 104 78.492 -2.435 -6.805 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.543 -4.440 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 104 76.223 -2.734 -8.255 1.00 0.00 H new ATOM 0 HG SER A 104 77.570 -3.620 -9.936 1.00 0.00 H new ATOM 1150 N GLY A 105 76.890 -1.283 -5.355 1.00 0.00 N ATOM 1151 CA GLY A 105 75.949 -0.596 -4.421 1.00 0.00 C ATOM 1152 C GLY A 105 75.850 0.884 -4.804 1.00 0.00 C ATOM 1153 O GLY A 105 75.270 1.233 -5.811 1.00 0.00 O ATOM 0 H GLY A 105 77.692 -0.724 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 105 74.965 -1.063 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 105 76.300 -0.695 -3.394 1.00 0.00 H new ATOM 1157 N MET A 106 76.421 1.749 -4.007 1.00 0.00 N ATOM 1158 CA MET A 106 76.389 3.208 -4.310 1.00 0.00 C ATOM 1159 C MET A 106 74.969 3.770 -4.171 1.00 0.00 C ATOM 1160 O MET A 106 74.667 4.469 -3.225 1.00 0.00 O ATOM 1161 CB MET A 106 76.892 3.318 -5.747 1.00 0.00 C ATOM 1162 CG MET A 106 77.256 4.771 -6.054 1.00 0.00 C ATOM 1163 SD MET A 106 77.926 4.881 -7.732 1.00 0.00 S ATOM 1164 CE MET A 106 76.345 4.847 -8.611 1.00 0.00 C ATOM 0 H MET A 106 76.914 1.502 -3.149 1.00 0.00 H new ATOM 0 HA MET A 106 77.003 3.785 -3.619 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.762 2.677 -5.888 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.125 2.971 -6.439 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.375 5.406 -5.960 1.00 0.00 H new ATOM 0 HG3 MET A 106 77.989 5.134 -5.333 1.00 0.00 H new ATOM 0 HE1 MET A 106 76.513 4.568 -9.651 1.00 0.00 H new ATOM 0 HE2 MET A 106 75.684 4.118 -8.142 1.00 0.00 H new ATOM 0 HE3 MET A 106 75.885 5.834 -8.570 1.00 0.00 H new ATOM 1174 N ASP A 107 74.092 3.486 -5.097 1.00 0.00 N ATOM 1175 CA ASP A 107 72.706 4.030 -4.982 1.00 0.00 C ATOM 1176 C ASP A 107 71.781 3.422 -6.040 1.00 0.00 C ATOM 1177 O ASP A 107 70.944 4.099 -6.605 1.00 0.00 O ATOM 1178 CB ASP A 107 72.858 5.534 -5.210 1.00 0.00 C ATOM 1179 CG ASP A 107 73.294 5.789 -6.653 1.00 0.00 C ATOM 1180 OD1 ASP A 107 72.430 5.831 -7.513 1.00 0.00 O ATOM 1181 OD2 ASP A 107 74.483 5.938 -6.874 1.00 0.00 O ATOM 0 H ASP A 107 74.271 2.908 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 107 72.260 3.796 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.914 6.040 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 107 73.594 5.945 -4.519 1.00 0.00 H new ATOM 1186 N LYS A 108 71.913 2.153 -6.312 1.00 0.00 N ATOM 1187 CA LYS A 108 71.030 1.521 -7.327 1.00 0.00 C ATOM 1188 C LYS A 108 71.168 -0.013 -7.295 1.00 0.00 C ATOM 1189 O LYS A 108 70.213 -0.699 -6.988 1.00 0.00 O ATOM 1190 CB LYS A 108 71.482 2.127 -8.656 1.00 0.00 C ATOM 1191 CG LYS A 108 71.185 1.163 -9.808 1.00 0.00 C ATOM 1192 CD LYS A 108 69.673 0.971 -9.937 1.00 0.00 C ATOM 1193 CE LYS A 108 68.998 2.333 -10.110 1.00 0.00 C ATOM 1194 NZ LYS A 108 67.639 2.020 -10.634 1.00 0.00 N ATOM 0 H LYS A 108 72.592 1.530 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 108 69.971 1.709 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.970 3.074 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.550 2.344 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 108 71.593 1.556 -10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 108 71.670 0.204 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 108 69.449 0.331 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 108 69.283 0.470 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 108 68.943 2.870 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.554 2.965 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 67.111 2.904 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 67.724 1.514 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 67.132 1.423 -9.950 1.00 0.00 H new ATOM 1208 N PRO A 109 72.342 -0.516 -7.601 1.00 0.00 N ATOM 1209 CA PRO A 109 72.560 -1.984 -7.586 1.00 0.00 C ATOM 1210 C PRO A 109 72.221 -2.569 -6.212 1.00 0.00 C ATOM 1211 O PRO A 109 71.387 -2.054 -5.495 1.00 0.00 O ATOM 1212 CB PRO A 109 74.058 -2.104 -7.871 1.00 0.00 C ATOM 1213 CG PRO A 109 74.646 -0.690 -8.034 1.00 0.00 C ATOM 1214 CD PRO A 109 73.501 0.328 -7.977 1.00 0.00 C ATOM 0 HA PRO A 109 71.937 -2.523 -8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.557 -2.629 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 109 74.225 -2.689 -8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.370 -0.489 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 109 75.177 -0.609 -8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.689 1.110 -7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.349 0.822 -8.936 1.00 0.00 H new ATOM 1222 N VAL A 110 72.867 -3.641 -5.839 1.00 0.00 N ATOM 1223 CA VAL A 110 72.586 -4.259 -4.512 1.00 0.00 C ATOM 1224 C VAL A 110 71.080 -4.514 -4.358 1.00 0.00 C ATOM 1225 O VAL A 110 70.305 -4.278 -5.263 1.00 0.00 O ATOM 1226 CB VAL A 110 73.117 -3.234 -3.487 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.004 -2.751 -2.547 1.00 0.00 C ATOM 1228 CG2 VAL A 110 74.221 -3.887 -2.655 1.00 0.00 C ATOM 0 H VAL A 110 73.577 -4.115 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 110 73.063 -5.230 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 110 73.502 -2.373 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.413 -2.031 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 110 71.215 -2.278 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.593 -3.601 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 110 74.602 -3.169 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 110 73.818 -4.754 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 110 75.032 -4.204 -3.311 1.00 0.00 H new ATOM 1238 N PHE A 111 70.663 -4.999 -3.219 1.00 0.00 N ATOM 1239 CA PHE A 111 69.211 -5.270 -3.014 1.00 0.00 C ATOM 1240 C PHE A 111 68.636 -4.333 -1.949 1.00 0.00 C ATOM 1241 O PHE A 111 67.491 -3.933 -2.017 1.00 0.00 O ATOM 1242 CB PHE A 111 69.143 -6.723 -2.544 1.00 0.00 C ATOM 1243 CG PHE A 111 68.405 -7.545 -3.573 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.826 -7.535 -4.908 1.00 0.00 C ATOM 1245 CD2 PHE A 111 67.301 -8.318 -3.192 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.142 -8.297 -5.862 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.618 -9.079 -4.146 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.038 -9.069 -5.483 1.00 0.00 C ATOM 0 H PHE A 111 71.263 -5.219 -2.424 1.00 0.00 H new ATOM 0 HA PHE A 111 68.631 -5.106 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 111 70.149 -7.118 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 111 68.635 -6.783 -1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.678 -6.940 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 111 66.977 -8.326 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 111 68.467 -8.289 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.766 -9.675 -3.852 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.510 -9.656 -6.220 1.00 0.00 H new ATOM 1258 N THR A 112 69.418 -3.979 -0.970 1.00 0.00 N ATOM 1259 CA THR A 112 68.907 -3.066 0.095 1.00 0.00 C ATOM 1260 C THR A 112 69.368 -1.635 -0.169 1.00 0.00 C ATOM 1261 O THR A 112 69.834 -1.307 -1.242 1.00 0.00 O ATOM 1262 CB THR A 112 69.519 -3.579 1.399 1.00 0.00 C ATOM 1263 OG1 THR A 112 68.942 -2.881 2.495 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.032 -3.347 1.385 1.00 0.00 C ATOM 0 H THR A 112 70.386 -4.280 -0.859 1.00 0.00 H new ATOM 0 HA THR A 112 67.818 -3.056 0.130 1.00 0.00 H new ATOM 0 HB THR A 112 69.320 -4.646 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 112 69.331 -3.209 3.333 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.465 -3.714 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.474 -3.881 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.236 -2.281 1.285 1.00 0.00 H new ATOM 1272 N ASP A 113 69.254 -0.787 0.811 1.00 0.00 N ATOM 1273 CA ASP A 113 69.701 0.623 0.627 1.00 0.00 C ATOM 1274 C ASP A 113 71.197 0.716 0.937 1.00 0.00 C ATOM 1275 O ASP A 113 71.666 0.098 1.873 1.00 0.00 O ATOM 1276 CB ASP A 113 68.892 1.445 1.633 1.00 0.00 C ATOM 1277 CG ASP A 113 67.439 0.967 1.641 1.00 0.00 C ATOM 1278 OD1 ASP A 113 66.731 1.267 0.694 1.00 0.00 O ATOM 1279 OD2 ASP A 113 67.057 0.310 2.596 1.00 0.00 O ATOM 0 H ASP A 113 68.872 -1.006 1.731 1.00 0.00 H new ATOM 0 HA ASP A 113 69.547 0.983 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.323 1.345 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.935 2.502 1.372 1.00 0.00 H new ATOM 1284 N PRO A 114 71.911 1.473 0.145 1.00 0.00 N ATOM 1285 CA PRO A 114 73.364 1.615 0.360 1.00 0.00 C ATOM 1286 C PRO A 114 73.674 2.127 1.777 1.00 0.00 C ATOM 1287 O PRO A 114 74.448 1.513 2.480 1.00 0.00 O ATOM 1288 CB PRO A 114 73.778 2.602 -0.736 1.00 0.00 C ATOM 1289 CG PRO A 114 72.527 2.971 -1.562 1.00 0.00 C ATOM 1290 CD PRO A 114 71.316 2.220 -0.989 1.00 0.00 C ATOM 0 HA PRO A 114 73.911 0.675 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.217 3.496 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.538 2.158 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.355 4.047 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.674 2.706 -2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.533 2.903 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.867 1.552 -1.724 1.00 0.00 H new ATOM 1298 N PRO A 115 73.066 3.222 2.156 1.00 0.00 N ATOM 1299 CA PRO A 115 73.299 3.802 3.505 1.00 0.00 C ATOM 1300 C PRO A 115 72.807 2.843 4.593 1.00 0.00 C ATOM 1301 O PRO A 115 71.740 3.015 5.148 1.00 0.00 O ATOM 1302 CB PRO A 115 72.447 5.074 3.472 1.00 0.00 C ATOM 1303 CG PRO A 115 71.758 5.173 2.097 1.00 0.00 C ATOM 1304 CD PRO A 115 72.121 3.932 1.272 1.00 0.00 C ATOM 0 HA PRO A 115 74.349 3.991 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.702 5.050 4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.071 5.951 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.677 5.241 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.077 6.077 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.244 3.325 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.579 4.198 0.320 1.00 0.00 H new ATOM 1312 N VAL A 116 73.574 1.834 4.903 1.00 0.00 N ATOM 1313 CA VAL A 116 73.146 0.869 5.951 1.00 0.00 C ATOM 1314 C VAL A 116 73.639 1.326 7.326 1.00 0.00 C ATOM 1315 O VAL A 116 74.663 1.970 7.446 1.00 0.00 O ATOM 1316 CB VAL A 116 73.806 -0.451 5.559 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.581 -0.711 4.069 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.307 -0.378 5.847 1.00 0.00 C ATOM 0 H VAL A 116 74.479 1.637 4.475 1.00 0.00 H new ATOM 0 HA VAL A 116 72.061 0.783 6.016 1.00 0.00 H new ATOM 0 HB VAL A 116 73.367 -1.263 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 116 74.052 -1.653 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.511 -0.766 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.019 0.100 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.777 -1.321 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.749 0.434 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.465 -0.195 6.910 1.00 0.00 H new ATOM 1328 N LYS A 117 72.918 1.000 8.362 1.00 0.00 N ATOM 1329 CA LYS A 117 73.344 1.416 9.727 1.00 0.00 C ATOM 1330 C LYS A 117 73.746 0.192 10.552 1.00 0.00 C ATOM 1331 O LYS A 117 72.995 -0.753 10.685 1.00 0.00 O ATOM 1332 CB LYS A 117 72.117 2.097 10.330 1.00 0.00 C ATOM 1333 CG LYS A 117 72.565 3.147 11.349 1.00 0.00 C ATOM 1334 CD LYS A 117 71.865 2.893 12.686 1.00 0.00 C ATOM 1335 CE LYS A 117 71.583 4.228 13.377 1.00 0.00 C ATOM 1336 NZ LYS A 117 70.259 4.045 14.034 1.00 0.00 N ATOM 0 H LYS A 117 72.052 0.463 8.322 1.00 0.00 H new ATOM 0 HA LYS A 117 74.209 2.079 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.526 2.567 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.477 1.357 10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.646 3.105 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.326 4.147 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 117 70.933 2.352 12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 117 72.490 2.267 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 117 72.357 4.467 14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 117 71.558 5.048 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 69.994 4.919 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.542 3.825 13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 70.315 3.263 14.717 1.00 0.00 H new ATOM 1350 N THR A 118 74.926 0.204 11.107 1.00 0.00 N ATOM 1351 CA THR A 118 75.377 -0.960 11.923 1.00 0.00 C ATOM 1352 C THR A 118 75.486 -0.564 13.399 1.00 0.00 C ATOM 1353 O THR A 118 75.069 -1.291 14.278 1.00 0.00 O ATOM 1354 CB THR A 118 76.752 -1.326 11.363 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.699 -0.343 11.759 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.685 -1.387 9.835 1.00 0.00 C ATOM 0 H THR A 118 75.597 0.968 11.032 1.00 0.00 H new ATOM 0 HA THR A 118 74.679 -1.796 11.871 1.00 0.00 H new ATOM 0 HB THR A 118 77.054 -2.300 11.749 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.581 -0.577 11.403 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.666 -1.648 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 118 75.959 -2.141 9.532 1.00 0.00 H new ATOM 0 HG23 THR A 118 76.383 -0.415 9.445 1.00 0.00 H new ATOM 1364 N LYS A 119 76.044 0.582 13.676 1.00 0.00 N ATOM 1365 CA LYS A 119 76.179 1.019 15.095 1.00 0.00 C ATOM 1366 C LYS A 119 76.794 2.421 15.160 1.00 0.00 C ATOM 1367 O LYS A 119 77.608 2.712 16.014 1.00 0.00 O ATOM 1368 CB LYS A 119 77.114 -0.006 15.736 1.00 0.00 C ATOM 1369 CG LYS A 119 78.469 0.025 15.025 1.00 0.00 C ATOM 1370 CD LYS A 119 79.591 0.046 16.065 1.00 0.00 C ATOM 1371 CE LYS A 119 80.724 -0.877 15.609 1.00 0.00 C ATOM 1372 NZ LYS A 119 81.828 0.041 15.208 1.00 0.00 N ATOM 0 H LYS A 119 76.412 1.234 12.983 1.00 0.00 H new ATOM 0 HA LYS A 119 75.217 1.070 15.606 1.00 0.00 H new ATOM 0 HB2 LYS A 119 77.242 0.215 16.796 1.00 0.00 H new ATOM 0 HB3 LYS A 119 76.679 -1.003 15.669 1.00 0.00 H new ATOM 0 HG2 LYS A 119 78.573 -0.847 14.380 1.00 0.00 H new ATOM 0 HG3 LYS A 119 78.536 0.905 14.385 1.00 0.00 H new ATOM 0 HD2 LYS A 119 79.964 1.062 16.193 1.00 0.00 H new ATOM 0 HD3 LYS A 119 79.210 -0.278 17.034 1.00 0.00 H new ATOM 0 HE2 LYS A 119 81.037 -1.545 16.412 1.00 0.00 H new ATOM 0 HE3 LYS A 119 80.410 -1.506 14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 82.643 -0.517 14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 81.503 0.660 14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 82.110 0.622 16.023 1.00 0.00 H new ATOM 1386 N PHE A 120 76.411 3.290 14.266 1.00 0.00 N ATOM 1387 CA PHE A 120 76.977 4.670 14.281 1.00 0.00 C ATOM 1388 C PHE A 120 76.133 5.599 13.403 1.00 0.00 C ATOM 1389 O PHE A 120 75.766 6.685 13.808 1.00 0.00 O ATOM 1390 CB PHE A 120 78.388 4.526 13.711 1.00 0.00 C ATOM 1391 CG PHE A 120 79.367 5.240 14.611 1.00 0.00 C ATOM 1392 CD1 PHE A 120 79.894 4.587 15.732 1.00 0.00 C ATOM 1393 CD2 PHE A 120 79.750 6.557 14.325 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.802 5.249 16.567 1.00 0.00 C ATOM 1395 CE2 PHE A 120 80.658 7.219 15.159 1.00 0.00 C ATOM 1396 CZ PHE A 120 81.184 6.566 16.280 1.00 0.00 C ATOM 0 H PHE A 120 75.732 3.106 13.527 1.00 0.00 H new ATOM 0 HA PHE A 120 76.985 5.102 15.282 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.654 3.472 13.630 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.430 4.944 12.705 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.600 3.572 15.953 1.00 0.00 H new ATOM 0 HD2 PHE A 120 79.344 7.061 13.461 1.00 0.00 H new ATOM 0 HE1 PHE A 120 81.208 4.745 17.432 1.00 0.00 H new ATOM 0 HE2 PHE A 120 80.953 8.234 14.938 1.00 0.00 H new ATOM 0 HZ PHE A 120 81.884 7.078 16.924 1.00 0.00 H new ATOM 1406 N GLY A 121 75.823 5.185 12.206 1.00 0.00 N ATOM 1407 CA GLY A 121 75.003 6.051 11.310 1.00 0.00 C ATOM 1408 C GLY A 121 74.730 5.317 9.995 1.00 0.00 C ATOM 1409 O GLY A 121 74.772 4.105 9.929 1.00 0.00 O ATOM 0 H GLY A 121 76.101 4.287 11.809 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.062 6.308 11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.526 6.987 11.114 1.00 0.00 H new ATOM 1413 N TYR A 122 74.450 6.045 8.949 1.00 0.00 N ATOM 1414 CA TYR A 122 74.173 5.395 7.636 1.00 0.00 C ATOM 1415 C TYR A 122 75.451 5.344 6.796 1.00 0.00 C ATOM 1416 O TYR A 122 76.208 6.292 6.744 1.00 0.00 O ATOM 1417 CB TYR A 122 73.132 6.295 6.965 1.00 0.00 C ATOM 1418 CG TYR A 122 71.756 6.034 7.544 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.597 5.175 8.640 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.638 6.657 6.976 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.319 4.940 9.166 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.363 6.422 7.502 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.203 5.564 8.597 1.00 0.00 C ATOM 1424 OH TYR A 122 67.945 5.332 9.114 1.00 0.00 O ATOM 0 H TYR A 122 74.401 7.064 8.947 1.00 0.00 H new ATOM 0 HA TYR A 122 73.820 4.370 7.746 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.401 7.342 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.122 6.112 5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.459 4.694 9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 122 70.760 7.319 6.132 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.196 4.278 10.010 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.501 6.903 7.063 1.00 0.00 H new ATOM 0 HH TYR A 122 67.282 5.843 8.604 1.00 0.00 H new ATOM 1434 N HIS A 123 75.699 4.246 6.137 1.00 0.00 N ATOM 1435 CA HIS A 123 76.934 4.145 5.302 1.00 0.00 C ATOM 1436 C HIS A 123 76.616 3.414 3.994 1.00 0.00 C ATOM 1437 O HIS A 123 75.880 2.452 3.988 1.00 0.00 O ATOM 1438 CB HIS A 123 77.948 3.330 6.128 1.00 0.00 C ATOM 1439 CG HIS A 123 77.621 3.394 7.599 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.716 4.568 8.329 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.191 2.436 8.483 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.351 4.289 9.594 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.022 3.004 9.743 1.00 0.00 N ATOM 0 H HIS A 123 75.105 3.417 6.139 1.00 0.00 H new ATOM 0 HA HIS A 123 77.328 5.129 5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.943 2.292 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.954 3.714 5.958 1.00 0.00 H new ATOM 0 HD2 HIS A 123 77.011 1.400 8.238 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.327 5.017 10.392 1.00 0.00 H new ATOM 0 HE2 HIS A 123 76.713 2.538 10.596 1.00 0.00 H new ATOM 1451 N ILE A 124 77.167 3.852 2.890 1.00 0.00 N ATOM 1452 CA ILE A 124 76.883 3.156 1.598 1.00 0.00 C ATOM 1453 C ILE A 124 77.907 2.043 1.377 1.00 0.00 C ATOM 1454 O ILE A 124 79.046 2.292 1.039 1.00 0.00 O ATOM 1455 CB ILE A 124 77.006 4.226 0.507 1.00 0.00 C ATOM 1456 CG1 ILE A 124 75.957 5.321 0.740 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.771 3.585 -0.861 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.018 6.343 -0.402 1.00 0.00 C ATOM 0 H ILE A 124 77.795 4.653 2.827 1.00 0.00 H new ATOM 0 HA ILE A 124 75.894 2.698 1.589 1.00 0.00 H new ATOM 0 HB ILE A 124 78.003 4.664 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 124 74.962 4.880 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.139 5.816 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.858 4.344 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.514 2.806 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.773 3.148 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.272 7.120 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.010 6.793 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.815 5.843 -1.349 1.00 0.00 H new ATOM 1470 N ILE A 125 77.511 0.814 1.576 1.00 0.00 N ATOM 1471 CA ILE A 125 78.458 -0.316 1.393 1.00 0.00 C ATOM 1472 C ILE A 125 78.420 -0.816 -0.047 1.00 0.00 C ATOM 1473 O ILE A 125 77.398 -1.248 -0.541 1.00 0.00 O ATOM 1474 CB ILE A 125 77.954 -1.402 2.343 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.320 -1.037 3.783 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.592 -2.738 1.976 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.882 -2.166 4.718 1.00 0.00 C ATOM 0 H ILE A 125 76.568 0.547 1.858 1.00 0.00 H new ATOM 0 HA ILE A 125 79.488 -0.027 1.600 1.00 0.00 H new ATOM 0 HB ILE A 125 76.870 -1.482 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.395 -0.876 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 125 77.834 -0.104 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.232 -3.512 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.325 -3.000 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.676 -2.659 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.141 -1.909 5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.804 -2.305 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.388 -3.089 4.436 1.00 0.00 H new ATOM 1489 N MET A 126 79.531 -0.764 -0.719 1.00 0.00 N ATOM 1490 CA MET A 126 79.568 -1.239 -2.122 1.00 0.00 C ATOM 1491 C MET A 126 80.423 -2.501 -2.229 1.00 0.00 C ATOM 1492 O MET A 126 81.634 -2.453 -2.142 1.00 0.00 O ATOM 1493 CB MET A 126 80.207 -0.096 -2.902 1.00 0.00 C ATOM 1494 CG MET A 126 79.119 0.728 -3.579 1.00 0.00 C ATOM 1495 SD MET A 126 79.863 1.721 -4.894 1.00 0.00 S ATOM 1496 CE MET A 126 81.114 2.515 -3.858 1.00 0.00 C ATOM 0 H MET A 126 80.417 -0.412 -0.355 1.00 0.00 H new ATOM 0 HA MET A 126 78.578 -1.493 -2.501 1.00 0.00 H new ATOM 0 HB2 MET A 126 80.791 0.534 -2.231 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.896 -0.491 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 126 78.352 0.072 -3.991 1.00 0.00 H new ATOM 0 HG3 MET A 126 78.629 1.374 -2.851 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.378 3.483 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.718 2.656 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 126 82.002 1.885 -3.813 1.00 0.00 H new ATOM 1506 N VAL A 127 79.803 -3.623 -2.444 1.00 0.00 N ATOM 1507 CA VAL A 127 80.589 -4.885 -2.589 1.00 0.00 C ATOM 1508 C VAL A 127 80.936 -5.051 -4.070 1.00 0.00 C ATOM 1509 O VAL A 127 80.176 -4.660 -4.930 1.00 0.00 O ATOM 1510 CB VAL A 127 79.692 -6.033 -2.070 1.00 0.00 C ATOM 1511 CG1 VAL A 127 78.216 -5.766 -2.386 1.00 0.00 C ATOM 1512 CG2 VAL A 127 80.120 -7.357 -2.712 1.00 0.00 C ATOM 0 H VAL A 127 78.792 -3.726 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 127 81.520 -4.879 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 127 79.809 -6.092 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 127 77.609 -6.589 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 127 77.904 -4.837 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 127 78.084 -5.682 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.485 -8.162 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.022 -7.285 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 127 81.158 -7.567 -2.455 1.00 0.00 H new ATOM 1522 N GLU A 128 82.084 -5.583 -4.390 1.00 0.00 N ATOM 1523 CA GLU A 128 82.442 -5.702 -5.825 1.00 0.00 C ATOM 1524 C GLU A 128 83.311 -6.930 -6.102 1.00 0.00 C ATOM 1525 O GLU A 128 84.517 -6.898 -6.083 1.00 0.00 O ATOM 1526 CB GLU A 128 83.198 -4.413 -6.157 1.00 0.00 C ATOM 1527 CG GLU A 128 82.367 -3.567 -7.123 1.00 0.00 C ATOM 1528 CD GLU A 128 82.745 -3.920 -8.564 1.00 0.00 C ATOM 1529 OE1 GLU A 128 83.347 -4.963 -8.758 1.00 0.00 O ATOM 1530 OE2 GLU A 128 82.426 -3.141 -9.446 1.00 0.00 O ATOM 0 H GLU A 128 82.777 -5.934 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 128 81.553 -5.831 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 128 83.398 -3.851 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 128 84.164 -4.650 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 128 81.304 -3.747 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 128 82.543 -2.507 -6.939 1.00 0.00 H new ATOM 1537 N GLY A 129 82.685 -8.007 -6.385 1.00 0.00 N ATOM 1538 CA GLY A 129 83.428 -9.250 -6.723 1.00 0.00 C ATOM 1539 C GLY A 129 83.708 -10.066 -5.475 1.00 0.00 C ATOM 1540 O GLY A 129 84.433 -9.650 -4.596 1.00 0.00 O ATOM 0 H GLY A 129 81.669 -8.097 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 129 82.849 -9.845 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 129 84.367 -8.996 -7.215 1.00 0.00 H new ATOM 1544 N ARG A 130 83.150 -11.238 -5.399 1.00 0.00 N ATOM 1545 CA ARG A 130 83.407 -12.084 -4.213 1.00 0.00 C ATOM 1546 C ARG A 130 83.928 -13.456 -4.650 1.00 0.00 C ATOM 1547 O ARG A 130 83.952 -13.778 -5.822 1.00 0.00 O ATOM 1548 CB ARG A 130 82.055 -12.195 -3.497 1.00 0.00 C ATOM 1549 CG ARG A 130 81.975 -13.504 -2.702 1.00 0.00 C ATOM 1550 CD ARG A 130 80.595 -13.623 -2.051 1.00 0.00 C ATOM 1551 NE ARG A 130 79.784 -14.416 -3.016 1.00 0.00 N ATOM 1552 CZ ARG A 130 79.053 -15.411 -2.592 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.141 -15.208 -1.681 1.00 0.00 N ATOM 1554 NH2 ARG A 130 79.236 -16.607 -3.079 1.00 0.00 N ATOM 0 H ARG A 130 82.532 -11.642 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 130 84.166 -11.663 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.921 -11.346 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.246 -12.155 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 130 82.152 -14.354 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.752 -13.526 -1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.656 -14.121 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 130 80.154 -12.641 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 130 79.800 -14.182 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 130 78.000 -14.272 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 130 77.570 -15.985 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 130 79.950 -16.764 -3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 130 78.665 -17.385 -2.748 1.00 0.00 H new ATOM 1568 N LYS A 131 84.346 -14.264 -3.717 1.00 0.00 N ATOM 1569 CA LYS A 131 84.867 -15.614 -4.075 1.00 0.00 C ATOM 1570 C LYS A 131 84.228 -16.683 -3.184 1.00 0.00 C ATOM 1571 O LYS A 131 83.047 -16.562 -2.902 1.00 0.00 O ATOM 1572 CB LYS A 131 86.372 -15.537 -3.824 1.00 0.00 C ATOM 1573 CG LYS A 131 87.023 -14.659 -4.894 1.00 0.00 C ATOM 1574 CD LYS A 131 88.142 -13.828 -4.262 1.00 0.00 C ATOM 1575 CE LYS A 131 89.439 -14.639 -4.255 1.00 0.00 C ATOM 1576 NZ LYS A 131 90.513 -13.640 -4.519 1.00 0.00 N ATOM 1577 OXT LYS A 131 84.931 -17.602 -2.798 1.00 0.00 O ATOM 0 H LYS A 131 84.350 -14.048 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 131 84.639 -15.884 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.566 -15.126 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.807 -16.536 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 131 87.425 -15.280 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 131 86.278 -14.003 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 131 88.282 -12.903 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 131 87.871 -13.548 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 131 89.589 -15.137 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 131 89.424 -15.416 -5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 91.437 -14.118 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 90.347 -13.187 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 90.506 -12.917 -3.771 1.00 0.00 H new