USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 70 ASN : amide:sc= -0.203 K(o=-0.2,f=-0.82) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 TYR OH : rot 89:sc= 0.23 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.0797 K(o=-0.59,f=-1.1) USER MOD Set 2.3: A 69 MET CE :methyl -120:sc= -0.902 (180deg=-0.691) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc=-0.00612 (180deg=-0.0693) USER MOD Single : A 12 THR OG1 : rot 59:sc= 0.742 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc=-0.00717 (180deg=-0.14) USER MOD Single : A 20 GLN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=0.67) USER MOD Single : A 23 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -0.213 (180deg=-1.84!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.517 K(o=-0.52,f=-3.8!) USER MOD Single : A 36 MET CE :methyl -129:sc= -2.02 (180deg=-3.39!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.03 K(o=-2,f=-0.15) USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0.651 (180deg=0.609) USER MOD Single : A 48 THR OG1 : rot 72:sc= 0.088 USER MOD Single : A 49 MET CE :methyl 170:sc= -0.0687 (180deg=-0.361) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= 0.473 (180deg=0.0973) USER MOD Single : A 53 THR OG1 : rot -79:sc= -2.63! USER MOD Single : A 55 THR OG1 : rot 5:sc= 1.1 USER MOD Single : A 56 MET CE :methyl -119:sc= 0 (180deg=-2.18!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -174:sc=-0.00088 (180deg=-0.0637) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.00047) USER MOD Single : A 67 THR OG1 : rot -58:sc= 1.24 USER MOD Single : A 75 MET CE :methyl -132:sc= -2.65 (180deg=-3.2!) USER MOD Single : A 77 ASN : amide:sc= 0.237 K(o=0.24,f=-4.9!) USER MOD Single : A 78 SER OG : rot -20:sc= 0.0641 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00607) USER MOD Single : A 91 LYS NZ :NH3+ -107:sc= 0.87 (180deg=-4.25!) USER MOD Single : A 92 LYS NZ :NH3+ -144:sc= -0.187 (180deg=-1.87!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 167:sc= -0.0412 (180deg=-0.488) USER MOD Single : A 98 THR OG1 : rot 68:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.363 0.801 15.917 1.00 12.24 N ATOM 110 CA ILE A 8 -9.077 0.195 15.482 1.00 24.52 C ATOM 111 C ILE A 8 -9.184 -1.347 15.306 1.00 5.42 C ATOM 112 O ILE A 8 -8.581 -1.912 14.386 1.00 71.32 O ATOM 113 CB ILE A 8 -7.905 0.574 16.476 1.00 41.31 C ATOM 114 CG1 ILE A 8 -7.612 2.117 16.422 1.00 72.40 C ATOM 115 CG2 ILE A 8 -6.613 -0.249 16.220 1.00 1.55 C ATOM 116 CD1 ILE A 8 -7.270 2.665 15.041 1.00 73.24 C ATOM 0 HA ILE A 8 -8.843 0.612 14.503 1.00 24.52 H new ATOM 0 HB ILE A 8 -8.242 0.316 17.480 1.00 41.31 H new ATOM 0 HG12 ILE A 8 -8.484 2.650 16.801 1.00 72.40 H new ATOM 0 HG13 ILE A 8 -6.786 2.338 17.098 1.00 72.40 H new ATOM 0 HG21 ILE A 8 -5.843 0.052 16.930 1.00 1.55 H new ATOM 0 HG22 ILE A 8 -6.827 -1.310 16.345 1.00 1.55 H new ATOM 0 HG23 ILE A 8 -6.261 -0.067 15.204 1.00 1.55 H new ATOM 0 HD11 ILE A 8 -7.085 3.737 15.110 1.00 73.24 H new ATOM 0 HD12 ILE A 8 -6.378 2.167 14.663 1.00 73.24 H new ATOM 0 HD13 ILE A 8 -8.103 2.484 14.361 1.00 73.24 H new ATOM 128 N LYS A 9 -9.975 -2.005 16.176 1.00 31.24 N ATOM 129 CA LYS A 9 -10.284 -3.455 16.052 1.00 23.14 C ATOM 130 C LYS A 9 -10.923 -3.788 14.673 1.00 55.43 C ATOM 131 O LYS A 9 -10.618 -4.819 14.071 1.00 72.21 O ATOM 132 CB LYS A 9 -11.235 -3.896 17.192 1.00 25.52 C ATOM 133 CG LYS A 9 -10.636 -3.829 18.616 1.00 14.21 C ATOM 134 CD LYS A 9 -11.706 -4.018 19.724 1.00 3.12 C ATOM 135 CE LYS A 9 -12.479 -5.350 19.614 1.00 74.35 C ATOM 136 NZ LYS A 9 -13.597 -5.417 20.592 1.00 62.51 N ATOM 0 H LYS A 9 -10.417 -1.558 16.979 1.00 31.24 H new ATOM 0 HA LYS A 9 -9.344 -4.002 16.129 1.00 23.14 H new ATOM 0 HB2 LYS A 9 -12.127 -3.270 17.161 1.00 25.52 H new ATOM 0 HB3 LYS A 9 -11.557 -4.919 16.999 1.00 25.52 H new ATOM 0 HG2 LYS A 9 -9.871 -4.598 18.721 1.00 14.21 H new ATOM 0 HG3 LYS A 9 -10.142 -2.867 18.753 1.00 14.21 H new ATOM 0 HD2 LYS A 9 -11.221 -3.968 20.699 1.00 3.12 H new ATOM 0 HD3 LYS A 9 -12.415 -3.191 19.678 1.00 3.12 H new ATOM 0 HE2 LYS A 9 -12.872 -5.461 18.603 1.00 74.35 H new ATOM 0 HE3 LYS A 9 -11.796 -6.183 19.784 1.00 74.35 H new ATOM 0 HZ1 LYS A 9 -14.094 -6.325 20.490 1.00 62.51 H new ATOM 0 HZ2 LYS A 9 -13.219 -5.336 21.557 1.00 62.51 H new ATOM 0 HZ3 LYS A 9 -14.261 -4.637 20.414 1.00 62.51 H new ATOM 150 N LYS A 10 -11.807 -2.889 14.190 1.00 73.32 N ATOM 151 CA LYS A 10 -12.442 -3.004 12.854 1.00 52.14 C ATOM 152 C LYS A 10 -11.428 -2.684 11.722 1.00 63.22 C ATOM 153 O LYS A 10 -11.356 -3.396 10.713 1.00 74.31 O ATOM 154 CB LYS A 10 -13.666 -2.048 12.761 1.00 72.51 C ATOM 155 CG LYS A 10 -14.725 -2.264 13.867 1.00 54.11 C ATOM 156 CD LYS A 10 -15.977 -1.365 13.712 1.00 72.02 C ATOM 157 CE LYS A 10 -16.731 -1.612 12.388 1.00 51.55 C ATOM 158 NZ LYS A 10 -17.137 -3.033 12.218 1.00 22.44 N ATOM 0 H LYS A 10 -12.102 -2.064 14.712 1.00 73.32 H new ATOM 0 HA LYS A 10 -12.779 -4.033 12.726 1.00 52.14 H new ATOM 0 HB2 LYS A 10 -13.313 -1.018 12.808 1.00 72.51 H new ATOM 0 HB3 LYS A 10 -14.141 -2.178 11.789 1.00 72.51 H new ATOM 0 HG2 LYS A 10 -15.036 -3.309 13.862 1.00 54.11 H new ATOM 0 HG3 LYS A 10 -14.268 -2.072 14.838 1.00 54.11 H new ATOM 0 HD2 LYS A 10 -16.653 -1.544 14.548 1.00 72.02 H new ATOM 0 HD3 LYS A 10 -15.676 -0.319 13.764 1.00 72.02 H new ATOM 0 HE2 LYS A 10 -17.617 -0.978 12.355 1.00 51.55 H new ATOM 0 HE3 LYS A 10 -16.097 -1.317 11.552 1.00 51.55 H new ATOM 0 HZ1 LYS A 10 -17.712 -3.129 11.357 1.00 22.44 H new ATOM 0 HZ2 LYS A 10 -16.289 -3.629 12.137 1.00 22.44 H new ATOM 0 HZ3 LYS A 10 -17.695 -3.336 13.042 1.00 22.44 H new ATOM 172 N VAL A 11 -10.634 -1.615 11.930 1.00 10.42 N ATOM 173 CA VAL A 11 -9.594 -1.146 10.975 1.00 4.54 C ATOM 174 C VAL A 11 -8.491 -2.219 10.734 1.00 70.11 C ATOM 175 O VAL A 11 -7.845 -2.241 9.676 1.00 64.02 O ATOM 176 CB VAL A 11 -8.966 0.213 11.476 1.00 45.41 C ATOM 177 CG1 VAL A 11 -7.830 0.715 10.559 1.00 11.25 C ATOM 178 CG2 VAL A 11 -10.060 1.298 11.614 1.00 40.45 C ATOM 0 H VAL A 11 -10.692 -1.043 12.772 1.00 10.42 H new ATOM 0 HA VAL A 11 -10.080 -0.975 10.014 1.00 4.54 H new ATOM 0 HB VAL A 11 -8.527 0.016 12.454 1.00 45.41 H new ATOM 0 HG11 VAL A 11 -7.434 1.652 10.950 1.00 11.25 H new ATOM 0 HG12 VAL A 11 -7.034 -0.029 10.525 1.00 11.25 H new ATOM 0 HG13 VAL A 11 -8.219 0.877 9.554 1.00 11.25 H new ATOM 0 HG21 VAL A 11 -9.609 2.228 11.960 1.00 40.45 H new ATOM 0 HG22 VAL A 11 -10.533 1.463 10.646 1.00 40.45 H new ATOM 0 HG23 VAL A 11 -10.810 0.969 12.333 1.00 40.45 H new ATOM 188 N THR A 12 -8.318 -3.121 11.718 1.00 70.43 N ATOM 189 CA THR A 12 -7.429 -4.297 11.597 1.00 22.30 C ATOM 190 C THR A 12 -7.865 -5.195 10.410 1.00 3.31 C ATOM 191 O THR A 12 -7.044 -5.564 9.578 1.00 42.54 O ATOM 192 CB THR A 12 -7.413 -5.137 12.923 1.00 64.22 C ATOM 193 OG1 THR A 12 -6.983 -4.307 14.019 1.00 45.41 O ATOM 194 CG2 THR A 12 -6.486 -6.368 12.834 1.00 33.14 C ATOM 0 H THR A 12 -8.790 -3.057 12.620 1.00 70.43 H new ATOM 0 HA THR A 12 -6.420 -3.928 11.411 1.00 22.30 H new ATOM 0 HB THR A 12 -8.429 -5.496 13.085 1.00 64.22 H new ATOM 0 HG1 THR A 12 -7.593 -3.545 14.111 1.00 45.41 H new ATOM 0 HG21 THR A 12 -6.513 -6.913 13.778 1.00 33.14 H new ATOM 0 HG22 THR A 12 -6.824 -7.020 12.029 1.00 33.14 H new ATOM 0 HG23 THR A 12 -5.466 -6.041 12.633 1.00 33.14 H new ATOM 202 N ASP A 13 -9.178 -5.497 10.323 1.00 22.45 N ATOM 203 CA ASP A 13 -9.751 -6.328 9.229 1.00 25.33 C ATOM 204 C ASP A 13 -9.793 -5.564 7.882 1.00 31.25 C ATOM 205 O ASP A 13 -9.714 -6.179 6.810 1.00 75.22 O ATOM 206 CB ASP A 13 -11.162 -6.814 9.610 1.00 14.12 C ATOM 207 CG ASP A 13 -11.182 -7.527 10.967 1.00 31.44 C ATOM 208 OD1 ASP A 13 -10.761 -8.706 11.043 1.00 43.32 O ATOM 209 OD2 ASP A 13 -11.604 -6.906 11.968 1.00 13.34 O ATOM 0 H ASP A 13 -9.870 -5.177 11.000 1.00 22.45 H new ATOM 0 HA ASP A 13 -9.097 -7.190 9.097 1.00 25.33 H new ATOM 0 HB2 ASP A 13 -11.842 -5.963 9.639 1.00 14.12 H new ATOM 0 HB3 ASP A 13 -11.531 -7.491 8.840 1.00 14.12 H new ATOM 214 N GLU A 14 -9.948 -4.222 7.950 1.00 24.14 N ATOM 215 CA GLU A 14 -9.851 -3.334 6.756 1.00 41.15 C ATOM 216 C GLU A 14 -8.452 -3.445 6.099 1.00 5.33 C ATOM 217 O GLU A 14 -8.324 -3.473 4.870 1.00 54.25 O ATOM 218 CB GLU A 14 -10.132 -1.852 7.143 1.00 1.33 C ATOM 219 CG GLU A 14 -11.495 -1.598 7.818 1.00 41.41 C ATOM 220 CD GLU A 14 -12.704 -2.025 6.970 1.00 14.21 C ATOM 221 OE1 GLU A 14 -13.022 -1.332 5.980 1.00 30.15 O ATOM 222 OE2 GLU A 14 -13.340 -3.059 7.277 1.00 43.33 O ATOM 0 H GLU A 14 -10.141 -3.724 8.819 1.00 24.14 H new ATOM 0 HA GLU A 14 -10.605 -3.660 6.039 1.00 41.15 H new ATOM 0 HB2 GLU A 14 -9.343 -1.512 7.814 1.00 1.33 H new ATOM 0 HB3 GLU A 14 -10.070 -1.240 6.243 1.00 1.33 H new ATOM 0 HG2 GLU A 14 -11.524 -2.133 8.767 1.00 41.41 H new ATOM 0 HG3 GLU A 14 -11.583 -0.536 8.048 1.00 41.41 H new ATOM 229 N LEU A 15 -7.425 -3.527 6.966 1.00 42.24 N ATOM 230 CA LEU A 15 -6.008 -3.719 6.579 1.00 31.04 C ATOM 231 C LEU A 15 -5.783 -5.051 5.802 1.00 65.54 C ATOM 232 O LEU A 15 -4.973 -5.092 4.875 1.00 1.03 O ATOM 233 CB LEU A 15 -5.128 -3.618 7.873 1.00 14.15 C ATOM 234 CG LEU A 15 -3.614 -4.068 7.789 1.00 72.01 C ATOM 235 CD1 LEU A 15 -2.691 -3.136 8.616 1.00 42.31 C ATOM 236 CD2 LEU A 15 -3.433 -5.546 8.246 1.00 31.23 C ATOM 0 H LEU A 15 -7.556 -3.461 7.975 1.00 42.24 H new ATOM 0 HA LEU A 15 -5.710 -2.936 5.882 1.00 31.04 H new ATOM 0 HB2 LEU A 15 -5.148 -2.581 8.208 1.00 14.15 H new ATOM 0 HB3 LEU A 15 -5.609 -4.213 8.649 1.00 14.15 H new ATOM 0 HG LEU A 15 -3.321 -3.993 6.742 1.00 72.01 H new ATOM 0 HD11 LEU A 15 -1.660 -3.478 8.533 1.00 42.31 H new ATOM 0 HD12 LEU A 15 -2.767 -2.117 8.235 1.00 42.31 H new ATOM 0 HD13 LEU A 15 -2.997 -3.156 9.662 1.00 42.31 H new ATOM 0 HD21 LEU A 15 -2.381 -5.822 8.176 1.00 31.23 H new ATOM 0 HD22 LEU A 15 -3.768 -5.651 9.278 1.00 31.23 H new ATOM 0 HD23 LEU A 15 -4.024 -6.200 7.605 1.00 31.23 H new ATOM 248 N LYS A 16 -6.517 -6.122 6.185 1.00 34.23 N ATOM 249 CA LYS A 16 -6.453 -7.457 5.502 1.00 51.44 C ATOM 250 C LYS A 16 -6.831 -7.351 4.006 1.00 75.22 C ATOM 251 O LYS A 16 -6.098 -7.827 3.136 1.00 44.43 O ATOM 252 CB LYS A 16 -7.394 -8.495 6.210 1.00 5.33 C ATOM 253 CG LYS A 16 -6.782 -9.245 7.416 1.00 54.45 C ATOM 254 CD LYS A 16 -6.185 -8.303 8.479 1.00 51.42 C ATOM 255 CE LYS A 16 -5.678 -9.041 9.720 1.00 74.50 C ATOM 256 NZ LYS A 16 -4.732 -10.129 9.363 1.00 43.12 N ATOM 0 H LYS A 16 -7.169 -6.097 6.969 1.00 34.23 H new ATOM 0 HA LYS A 16 -5.422 -7.802 5.573 1.00 51.44 H new ATOM 0 HB2 LYS A 16 -8.290 -7.974 6.547 1.00 5.33 H new ATOM 0 HB3 LYS A 16 -7.712 -9.231 5.472 1.00 5.33 H new ATOM 0 HG2 LYS A 16 -7.551 -9.863 7.879 1.00 54.45 H new ATOM 0 HG3 LYS A 16 -6.003 -9.919 7.059 1.00 54.45 H new ATOM 0 HD2 LYS A 16 -5.362 -7.741 8.037 1.00 51.42 H new ATOM 0 HD3 LYS A 16 -6.941 -7.578 8.779 1.00 51.42 H new ATOM 0 HE2 LYS A 16 -5.185 -8.334 10.388 1.00 74.50 H new ATOM 0 HE3 LYS A 16 -6.524 -9.459 10.266 1.00 74.50 H new ATOM 0 HZ1 LYS A 16 -4.319 -10.528 10.230 1.00 43.12 H new ATOM 0 HZ2 LYS A 16 -5.240 -10.875 8.846 1.00 43.12 H new ATOM 0 HZ3 LYS A 16 -3.974 -9.747 8.763 1.00 43.12 H new ATOM 270 N GLU A 17 -7.967 -6.689 3.742 1.00 13.23 N ATOM 271 CA GLU A 17 -8.516 -6.511 2.372 1.00 70.42 C ATOM 272 C GLU A 17 -7.628 -5.588 1.530 1.00 31.23 C ATOM 273 O GLU A 17 -7.444 -5.792 0.325 1.00 11.23 O ATOM 274 CB GLU A 17 -9.957 -5.940 2.455 1.00 52.52 C ATOM 275 CG GLU A 17 -10.935 -6.814 3.267 1.00 71.54 C ATOM 276 CD GLU A 17 -11.086 -8.236 2.698 1.00 41.03 C ATOM 277 OE1 GLU A 17 -11.892 -8.428 1.764 1.00 34.12 O ATOM 278 OE2 GLU A 17 -10.404 -9.168 3.182 1.00 3.04 O ATOM 0 H GLU A 17 -8.539 -6.258 4.468 1.00 13.23 H new ATOM 0 HA GLU A 17 -8.539 -7.485 1.884 1.00 70.42 H new ATOM 0 HB2 GLU A 17 -9.917 -4.947 2.902 1.00 52.52 H new ATOM 0 HB3 GLU A 17 -10.347 -5.820 1.444 1.00 52.52 H new ATOM 0 HG2 GLU A 17 -10.587 -6.876 4.298 1.00 71.54 H new ATOM 0 HG3 GLU A 17 -11.912 -6.332 3.289 1.00 71.54 H new ATOM 285 N LEU A 18 -7.072 -4.589 2.206 1.00 53.41 N ATOM 286 CA LEU A 18 -6.200 -3.573 1.605 1.00 55.32 C ATOM 287 C LEU A 18 -4.907 -4.222 1.050 1.00 51.41 C ATOM 288 O LEU A 18 -4.580 -4.068 -0.126 1.00 42.52 O ATOM 289 CB LEU A 18 -5.906 -2.472 2.679 1.00 34.21 C ATOM 290 CG LEU A 18 -6.098 -0.993 2.226 1.00 21.40 C ATOM 291 CD1 LEU A 18 -7.406 -0.810 1.437 1.00 43.10 C ATOM 292 CD2 LEU A 18 -6.054 -0.043 3.441 1.00 73.41 C ATOM 0 H LEU A 18 -7.214 -4.455 3.207 1.00 53.41 H new ATOM 0 HA LEU A 18 -6.694 -3.102 0.755 1.00 55.32 H new ATOM 0 HB2 LEU A 18 -6.551 -2.652 3.539 1.00 34.21 H new ATOM 0 HB3 LEU A 18 -4.878 -2.594 3.021 1.00 34.21 H new ATOM 0 HG LEU A 18 -5.274 -0.740 1.559 1.00 21.40 H new ATOM 0 HD11 LEU A 18 -7.507 0.233 1.137 1.00 43.10 H new ATOM 0 HD12 LEU A 18 -7.387 -1.443 0.550 1.00 43.10 H new ATOM 0 HD13 LEU A 18 -8.252 -1.091 2.065 1.00 43.10 H new ATOM 0 HD21 LEU A 18 -6.190 0.985 3.104 1.00 73.41 H new ATOM 0 HD22 LEU A 18 -6.851 -0.305 4.137 1.00 73.41 H new ATOM 0 HD23 LEU A 18 -5.090 -0.137 3.941 1.00 73.41 H new ATOM 304 N ILE A 19 -4.212 -4.969 1.919 1.00 62.54 N ATOM 305 CA ILE A 19 -3.016 -5.765 1.553 1.00 12.41 C ATOM 306 C ILE A 19 -3.342 -6.813 0.455 1.00 11.21 C ATOM 307 O ILE A 19 -2.582 -6.967 -0.501 1.00 3.42 O ATOM 308 CB ILE A 19 -2.439 -6.487 2.837 1.00 50.41 C ATOM 309 CG1 ILE A 19 -1.902 -5.433 3.865 1.00 52.45 C ATOM 310 CG2 ILE A 19 -1.344 -7.533 2.495 1.00 2.44 C ATOM 311 CD1 ILE A 19 -1.519 -6.013 5.218 1.00 42.41 C ATOM 0 H ILE A 19 -4.460 -5.043 2.906 1.00 62.54 H new ATOM 0 HA ILE A 19 -2.268 -5.083 1.150 1.00 12.41 H new ATOM 0 HB ILE A 19 -3.264 -7.036 3.291 1.00 50.41 H new ATOM 0 HG12 ILE A 19 -1.031 -4.937 3.437 1.00 52.45 H new ATOM 0 HG13 ILE A 19 -2.664 -4.668 4.014 1.00 52.45 H new ATOM 0 HG21 ILE A 19 -0.984 -7.997 3.413 1.00 2.44 H new ATOM 0 HG22 ILE A 19 -1.763 -8.298 1.842 1.00 2.44 H new ATOM 0 HG23 ILE A 19 -0.514 -7.039 1.989 1.00 2.44 H new ATOM 0 HD11 ILE A 19 -1.158 -5.215 5.867 1.00 42.41 H new ATOM 0 HD12 ILE A 19 -2.391 -6.484 5.672 1.00 42.41 H new ATOM 0 HD13 ILE A 19 -0.733 -6.757 5.086 1.00 42.41 H new ATOM 323 N GLN A 20 -4.499 -7.487 0.604 1.00 42.33 N ATOM 324 CA GLN A 20 -4.926 -8.613 -0.267 1.00 3.14 C ATOM 325 C GLN A 20 -5.034 -8.201 -1.762 1.00 13.22 C ATOM 326 O GLN A 20 -4.352 -8.773 -2.620 1.00 22.14 O ATOM 327 CB GLN A 20 -6.292 -9.147 0.241 1.00 53.22 C ATOM 328 CG GLN A 20 -6.823 -10.417 -0.454 1.00 42.40 C ATOM 329 CD GLN A 20 -8.207 -10.875 0.046 1.00 2.23 C ATOM 330 OE1 GLN A 20 -8.980 -11.468 -0.701 1.00 43.05 O ATOM 331 NE2 GLN A 20 -8.529 -10.631 1.308 1.00 0.23 N ATOM 0 H GLN A 20 -5.173 -7.268 1.337 1.00 42.33 H new ATOM 0 HA GLN A 20 -4.166 -9.392 -0.211 1.00 3.14 H new ATOM 0 HB2 GLN A 20 -6.206 -9.350 1.308 1.00 53.22 H new ATOM 0 HB3 GLN A 20 -7.034 -8.357 0.126 1.00 53.22 H new ATOM 0 HG2 GLN A 20 -6.878 -10.235 -1.527 1.00 42.40 H new ATOM 0 HG3 GLN A 20 -6.108 -11.226 -0.304 1.00 42.40 H new ATOM 0 HE21 GLN A 20 -7.875 -10.137 1.915 1.00 0.23 H new ATOM 0 HE22 GLN A 20 -9.431 -10.937 1.673 1.00 0.23 H new ATOM 340 N ASN A 21 -5.865 -7.181 -2.047 1.00 1.23 N ATOM 341 CA ASN A 21 -6.109 -6.707 -3.431 1.00 11.43 C ATOM 342 C ASN A 21 -4.852 -6.050 -4.040 1.00 32.24 C ATOM 343 O ASN A 21 -4.438 -6.431 -5.137 1.00 5.31 O ATOM 344 CB ASN A 21 -7.315 -5.743 -3.474 1.00 15.41 C ATOM 345 CG ASN A 21 -8.619 -6.465 -3.145 1.00 53.42 C ATOM 346 OD1 ASN A 21 -9.052 -6.510 -2.002 1.00 53.43 O ATOM 347 ND2 ASN A 21 -9.227 -7.084 -4.141 1.00 24.33 N ATOM 0 H ASN A 21 -6.383 -6.664 -1.336 1.00 1.23 H new ATOM 0 HA ASN A 21 -6.345 -7.579 -4.041 1.00 11.43 H new ATOM 0 HB2 ASN A 21 -7.158 -4.931 -2.764 1.00 15.41 H new ATOM 0 HB3 ASN A 21 -7.387 -5.292 -4.464 1.00 15.41 H new ATOM 0 HD21 ASN A 21 -10.079 -7.616 -3.966 1.00 24.33 H new ATOM 0 HD22 ASN A 21 -8.844 -7.030 -5.085 1.00 24.33 H new ATOM 354 N VAL A 22 -4.237 -5.098 -3.297 1.00 42.24 N ATOM 355 CA VAL A 22 -3.000 -4.389 -3.732 1.00 32.32 C ATOM 356 C VAL A 22 -1.884 -5.375 -4.150 1.00 33.23 C ATOM 357 O VAL A 22 -1.313 -5.226 -5.224 1.00 42.11 O ATOM 358 CB VAL A 22 -2.468 -3.408 -2.607 1.00 72.42 C ATOM 359 CG1 VAL A 22 -1.028 -2.894 -2.875 1.00 3.05 C ATOM 360 CG2 VAL A 22 -3.426 -2.214 -2.442 1.00 30.45 C ATOM 0 H VAL A 22 -4.579 -4.798 -2.384 1.00 42.24 H new ATOM 0 HA VAL A 22 -3.272 -3.798 -4.607 1.00 32.32 H new ATOM 0 HB VAL A 22 -2.432 -3.988 -1.685 1.00 72.42 H new ATOM 0 HG11 VAL A 22 -0.724 -2.227 -2.068 1.00 3.05 H new ATOM 0 HG12 VAL A 22 -0.343 -3.740 -2.924 1.00 3.05 H new ATOM 0 HG13 VAL A 22 -1.005 -2.353 -3.821 1.00 3.05 H new ATOM 0 HG21 VAL A 22 -3.048 -1.549 -1.666 1.00 30.45 H new ATOM 0 HG22 VAL A 22 -3.495 -1.670 -3.384 1.00 30.45 H new ATOM 0 HG23 VAL A 22 -4.414 -2.577 -2.159 1.00 30.45 H new ATOM 370 N ASN A 23 -1.634 -6.401 -3.312 1.00 41.31 N ATOM 371 CA ASN A 23 -0.558 -7.407 -3.536 1.00 65.12 C ATOM 372 C ASN A 23 -0.675 -8.056 -4.940 1.00 75.53 C ATOM 373 O ASN A 23 0.299 -8.117 -5.700 1.00 2.02 O ATOM 374 CB ASN A 23 -0.634 -8.510 -2.438 1.00 34.05 C ATOM 375 CG ASN A 23 0.683 -9.266 -2.217 1.00 20.22 C ATOM 376 OD1 ASN A 23 1.518 -9.385 -3.106 1.00 61.14 O ATOM 377 ND2 ASN A 23 0.871 -9.794 -1.021 1.00 22.12 N ATOM 0 H ASN A 23 -2.169 -6.562 -2.458 1.00 41.31 H new ATOM 0 HA ASN A 23 0.403 -6.895 -3.479 1.00 65.12 H new ATOM 0 HB2 ASN A 23 -0.939 -8.051 -1.498 1.00 34.05 H new ATOM 0 HB3 ASN A 23 -1.410 -9.226 -2.710 1.00 34.05 H new ATOM 0 HD21 ASN A 23 1.726 -10.314 -0.822 1.00 22.12 H new ATOM 0 HD22 ASN A 23 0.162 -9.682 -0.297 1.00 22.12 H new ATOM 384 N ASP A 24 -1.903 -8.503 -5.269 1.00 32.12 N ATOM 385 CA ASP A 24 -2.208 -9.164 -6.550 1.00 31.32 C ATOM 386 C ASP A 24 -2.205 -8.157 -7.735 1.00 20.13 C ATOM 387 O ASP A 24 -1.750 -8.491 -8.835 1.00 2.11 O ATOM 388 CB ASP A 24 -3.565 -9.899 -6.454 1.00 33.22 C ATOM 389 CG ASP A 24 -3.857 -10.756 -7.697 1.00 22.44 C ATOM 390 OD1 ASP A 24 -3.182 -11.791 -7.877 1.00 74.41 O ATOM 391 OD2 ASP A 24 -4.756 -10.401 -8.495 1.00 64.24 O ATOM 0 H ASP A 24 -2.711 -8.415 -4.652 1.00 32.12 H new ATOM 0 HA ASP A 24 -1.423 -9.893 -6.749 1.00 31.32 H new ATOM 0 HB2 ASP A 24 -3.569 -10.535 -5.569 1.00 33.22 H new ATOM 0 HB3 ASP A 24 -4.363 -9.168 -6.325 1.00 33.22 H new ATOM 396 N ASP A 25 -2.710 -6.932 -7.486 1.00 30.14 N ATOM 397 CA ASP A 25 -2.741 -5.839 -8.486 1.00 64.43 C ATOM 398 C ASP A 25 -1.324 -5.449 -8.974 1.00 61.32 C ATOM 399 O ASP A 25 -1.128 -5.223 -10.167 1.00 62.23 O ATOM 400 CB ASP A 25 -3.496 -4.593 -7.921 1.00 62.44 C ATOM 401 CG ASP A 25 -5.027 -4.710 -8.046 1.00 11.20 C ATOM 402 OD1 ASP A 25 -5.512 -4.894 -9.183 1.00 12.12 O ATOM 403 OD2 ASP A 25 -5.756 -4.591 -7.034 1.00 62.01 O ATOM 0 H ASP A 25 -3.109 -6.670 -6.585 1.00 30.14 H new ATOM 0 HA ASP A 25 -3.285 -6.214 -9.353 1.00 64.43 H new ATOM 0 HB2 ASP A 25 -3.232 -4.460 -6.872 1.00 62.44 H new ATOM 0 HB3 ASP A 25 -3.161 -3.701 -8.450 1.00 62.44 H new ATOM 408 N ILE A 26 -0.344 -5.392 -8.048 1.00 23.14 N ATOM 409 CA ILE A 26 1.078 -5.076 -8.385 1.00 32.13 C ATOM 410 C ILE A 26 1.690 -6.172 -9.310 1.00 21.25 C ATOM 411 O ILE A 26 2.461 -5.869 -10.226 1.00 13.53 O ATOM 412 CB ILE A 26 1.967 -4.921 -7.087 1.00 62.45 C ATOM 413 CG1 ILE A 26 1.350 -3.911 -6.073 1.00 41.14 C ATOM 414 CG2 ILE A 26 3.401 -4.473 -7.445 1.00 11.31 C ATOM 415 CD1 ILE A 26 2.006 -3.919 -4.698 1.00 32.33 C ATOM 0 H ILE A 26 -0.503 -5.560 -7.055 1.00 23.14 H new ATOM 0 HA ILE A 26 1.074 -4.123 -8.914 1.00 32.13 H new ATOM 0 HB ILE A 26 2.002 -5.904 -6.617 1.00 62.45 H new ATOM 0 HG12 ILE A 26 1.421 -2.907 -6.490 1.00 41.14 H new ATOM 0 HG13 ILE A 26 0.289 -4.133 -5.957 1.00 41.14 H new ATOM 0 HG21 ILE A 26 3.990 -4.375 -6.533 1.00 11.31 H new ATOM 0 HG22 ILE A 26 3.862 -5.215 -8.096 1.00 11.31 H new ATOM 0 HG23 ILE A 26 3.364 -3.512 -7.959 1.00 11.31 H new ATOM 0 HD11 ILE A 26 1.515 -3.187 -4.056 1.00 32.33 H new ATOM 0 HD12 ILE A 26 1.912 -4.911 -4.256 1.00 32.33 H new ATOM 0 HD13 ILE A 26 3.061 -3.665 -4.797 1.00 32.33 H new ATOM 427 N LYS A 27 1.316 -7.444 -9.058 1.00 22.32 N ATOM 428 CA LYS A 27 1.710 -8.602 -9.906 1.00 74.40 C ATOM 429 C LYS A 27 1.134 -8.462 -11.339 1.00 52.41 C ATOM 430 O LYS A 27 1.804 -8.775 -12.331 1.00 33.24 O ATOM 431 CB LYS A 27 1.199 -9.918 -9.266 1.00 62.51 C ATOM 432 CG LYS A 27 1.681 -10.161 -7.819 1.00 61.21 C ATOM 433 CD LYS A 27 0.893 -11.283 -7.080 1.00 74.44 C ATOM 434 CE LYS A 27 1.237 -12.718 -7.536 1.00 21.22 C ATOM 435 NZ LYS A 27 0.754 -13.034 -8.905 1.00 31.13 N ATOM 0 H LYS A 27 0.733 -7.703 -8.262 1.00 22.32 H new ATOM 0 HA LYS A 27 2.798 -8.624 -9.972 1.00 74.40 H new ATOM 0 HB2 LYS A 27 0.109 -9.911 -9.275 1.00 62.51 H new ATOM 0 HB3 LYS A 27 1.518 -10.756 -9.886 1.00 62.51 H new ATOM 0 HG2 LYS A 27 2.739 -10.423 -7.836 1.00 61.21 H new ATOM 0 HG3 LYS A 27 1.591 -9.233 -7.254 1.00 61.21 H new ATOM 0 HD2 LYS A 27 1.086 -11.200 -6.010 1.00 74.44 H new ATOM 0 HD3 LYS A 27 -0.174 -11.116 -7.226 1.00 74.44 H new ATOM 0 HE2 LYS A 27 2.318 -12.853 -7.500 1.00 21.22 H new ATOM 0 HE3 LYS A 27 0.803 -13.429 -6.833 1.00 21.22 H new ATOM 0 HZ1 LYS A 27 0.416 -14.017 -8.935 1.00 31.13 H new ATOM 0 HZ2 LYS A 27 -0.025 -12.392 -9.155 1.00 31.13 H new ATOM 0 HZ3 LYS A 27 1.533 -12.915 -9.584 1.00 31.13 H new ATOM 449 N GLU A 28 -0.120 -7.971 -11.413 1.00 54.41 N ATOM 450 CA GLU A 28 -0.812 -7.665 -12.685 1.00 12.15 C ATOM 451 C GLU A 28 -0.140 -6.491 -13.446 1.00 25.40 C ATOM 452 O GLU A 28 -0.257 -6.394 -14.670 1.00 43.14 O ATOM 453 CB GLU A 28 -2.303 -7.334 -12.417 1.00 54.52 C ATOM 454 CG GLU A 28 -3.139 -8.493 -11.836 1.00 55.52 C ATOM 455 CD GLU A 28 -3.342 -9.652 -12.829 1.00 62.24 C ATOM 456 OE1 GLU A 28 -4.205 -9.530 -13.726 1.00 32.21 O ATOM 457 OE2 GLU A 28 -2.639 -10.681 -12.731 1.00 15.14 O ATOM 0 H GLU A 28 -0.686 -7.774 -10.587 1.00 54.41 H new ATOM 0 HA GLU A 28 -0.741 -8.552 -13.315 1.00 12.15 H new ATOM 0 HB2 GLU A 28 -2.353 -6.490 -11.729 1.00 54.52 H new ATOM 0 HB3 GLU A 28 -2.760 -7.010 -13.352 1.00 54.52 H new ATOM 0 HG2 GLU A 28 -2.648 -8.873 -10.940 1.00 55.52 H new ATOM 0 HG3 GLU A 28 -4.113 -8.112 -11.529 1.00 55.52 H new ATOM 464 N VAL A 29 0.536 -5.581 -12.714 1.00 31.35 N ATOM 465 CA VAL A 29 1.283 -4.470 -13.343 1.00 62.22 C ATOM 466 C VAL A 29 2.611 -4.966 -13.993 1.00 63.11 C ATOM 467 O VAL A 29 3.089 -4.384 -14.968 1.00 4.11 O ATOM 468 CB VAL A 29 1.617 -3.301 -12.347 1.00 71.53 C ATOM 469 CG1 VAL A 29 2.221 -2.114 -13.115 1.00 62.43 C ATOM 470 CG2 VAL A 29 0.391 -2.838 -11.526 1.00 30.32 C ATOM 0 H VAL A 29 0.580 -5.592 -11.695 1.00 31.35 H new ATOM 0 HA VAL A 29 0.614 -4.081 -14.111 1.00 62.22 H new ATOM 0 HB VAL A 29 2.343 -3.689 -11.633 1.00 71.53 H new ATOM 0 HG11 VAL A 29 2.450 -1.308 -12.418 1.00 62.43 H new ATOM 0 HG12 VAL A 29 3.136 -2.432 -13.615 1.00 62.43 H new ATOM 0 HG13 VAL A 29 1.506 -1.759 -13.858 1.00 62.43 H new ATOM 0 HG21 VAL A 29 0.685 -2.029 -10.857 1.00 30.32 H new ATOM 0 HG22 VAL A 29 -0.387 -2.484 -12.202 1.00 30.32 H new ATOM 0 HG23 VAL A 29 0.009 -3.674 -10.939 1.00 30.32 H new ATOM 480 N GLU A 30 3.207 -6.041 -13.457 1.00 44.41 N ATOM 481 CA GLU A 30 4.482 -6.591 -13.999 1.00 62.31 C ATOM 482 C GLU A 30 4.339 -7.067 -15.474 1.00 3.32 C ATOM 483 O GLU A 30 5.301 -7.025 -16.248 1.00 3.33 O ATOM 484 CB GLU A 30 5.006 -7.726 -13.097 1.00 24.50 C ATOM 485 CG GLU A 30 5.286 -7.284 -11.648 1.00 52.54 C ATOM 486 CD GLU A 30 5.939 -8.375 -10.796 1.00 51.42 C ATOM 487 OE1 GLU A 30 7.182 -8.503 -10.828 1.00 24.41 O ATOM 488 OE2 GLU A 30 5.225 -9.119 -10.090 1.00 62.14 O ATOM 0 H GLU A 30 2.839 -6.552 -12.654 1.00 44.41 H new ATOM 0 HA GLU A 30 5.212 -5.782 -14.000 1.00 62.31 H new ATOM 0 HB2 GLU A 30 4.277 -8.536 -13.086 1.00 24.50 H new ATOM 0 HB3 GLU A 30 5.923 -8.128 -13.529 1.00 24.50 H new ATOM 0 HG2 GLU A 30 5.934 -6.408 -11.662 1.00 52.54 H new ATOM 0 HG3 GLU A 30 4.349 -6.980 -11.181 1.00 52.54 H new ATOM 495 N LYS A 31 3.123 -7.507 -15.848 1.00 4.11 N ATOM 496 CA LYS A 31 2.766 -7.814 -17.257 1.00 14.01 C ATOM 497 C LYS A 31 2.154 -6.575 -17.977 1.00 35.42 C ATOM 498 O LYS A 31 2.305 -6.420 -19.195 1.00 54.34 O ATOM 499 CB LYS A 31 1.780 -9.014 -17.311 1.00 23.31 C ATOM 500 CG LYS A 31 0.508 -8.825 -16.456 1.00 41.02 C ATOM 501 CD LYS A 31 -0.510 -9.974 -16.595 1.00 13.43 C ATOM 502 CE LYS A 31 -1.091 -10.082 -18.018 1.00 33.23 C ATOM 503 NZ LYS A 31 -2.174 -11.086 -18.098 1.00 61.02 N ATOM 0 H LYS A 31 2.359 -7.661 -15.190 1.00 4.11 H new ATOM 0 HA LYS A 31 3.682 -8.081 -17.783 1.00 14.01 H new ATOM 0 HB2 LYS A 31 1.486 -9.183 -18.347 1.00 23.31 H new ATOM 0 HB3 LYS A 31 2.299 -9.912 -16.977 1.00 23.31 H new ATOM 0 HG2 LYS A 31 0.796 -8.731 -15.409 1.00 41.02 H new ATOM 0 HG3 LYS A 31 0.027 -7.889 -16.739 1.00 41.02 H new ATOM 0 HD2 LYS A 31 -0.028 -10.915 -16.331 1.00 13.43 H new ATOM 0 HD3 LYS A 31 -1.323 -9.822 -15.885 1.00 13.43 H new ATOM 0 HE2 LYS A 31 -1.474 -9.110 -18.328 1.00 33.23 H new ATOM 0 HE3 LYS A 31 -0.297 -10.349 -18.715 1.00 33.23 H new ATOM 0 HZ1 LYS A 31 -2.538 -11.128 -19.071 1.00 61.02 H new ATOM 0 HZ2 LYS A 31 -1.803 -12.019 -17.827 1.00 61.02 H new ATOM 0 HZ3 LYS A 31 -2.944 -10.818 -17.452 1.00 61.02 H new ATOM 517 N ASN A 32 1.470 -5.695 -17.213 1.00 33.32 N ATOM 518 CA ASN A 32 0.790 -4.473 -17.747 1.00 23.52 C ATOM 519 C ASN A 32 1.274 -3.181 -17.019 1.00 52.32 C ATOM 520 O ASN A 32 0.568 -2.650 -16.150 1.00 71.30 O ATOM 521 CB ASN A 32 -0.751 -4.644 -17.631 1.00 31.15 C ATOM 522 CG ASN A 32 -1.325 -5.593 -18.678 1.00 10.33 C ATOM 523 OD1 ASN A 32 -1.443 -6.793 -18.461 1.00 75.51 O ATOM 524 ND2 ASN A 32 -1.693 -5.060 -19.829 1.00 12.55 N ATOM 0 H ASN A 32 1.368 -5.804 -16.204 1.00 33.32 H new ATOM 0 HA ASN A 32 1.055 -4.358 -18.798 1.00 23.52 H new ATOM 0 HB2 ASN A 32 -0.996 -5.018 -16.637 1.00 31.15 H new ATOM 0 HB3 ASN A 32 -1.228 -3.669 -17.732 1.00 31.15 H new ATOM 0 HD21 ASN A 32 -2.086 -5.651 -20.562 1.00 12.55 H new ATOM 0 HD22 ASN A 32 -1.584 -4.058 -19.985 1.00 12.55 H new ATOM 531 N PRO A 33 2.512 -2.668 -17.352 1.00 41.13 N ATOM 532 CA PRO A 33 3.175 -1.579 -16.574 1.00 10.53 C ATOM 533 C PRO A 33 2.526 -0.183 -16.753 1.00 72.11 C ATOM 534 O PRO A 33 2.302 0.541 -15.772 1.00 50.25 O ATOM 535 CB PRO A 33 4.632 -1.614 -17.109 1.00 53.11 C ATOM 536 CG PRO A 33 4.503 -2.113 -18.518 1.00 55.21 C ATOM 537 CD PRO A 33 3.361 -3.112 -18.498 1.00 25.11 C ATOM 0 HA PRO A 33 3.092 -1.742 -15.500 1.00 10.53 H new ATOM 0 HB2 PRO A 33 5.090 -0.625 -17.078 1.00 53.11 H new ATOM 0 HB3 PRO A 33 5.259 -2.274 -16.510 1.00 53.11 H new ATOM 0 HG2 PRO A 33 4.294 -1.294 -19.206 1.00 55.21 H new ATOM 0 HG3 PRO A 33 5.428 -2.583 -18.853 1.00 55.21 H new ATOM 0 HD2 PRO A 33 2.804 -3.101 -19.435 1.00 25.11 H new ATOM 0 HD3 PRO A 33 3.724 -4.130 -18.355 1.00 25.11 H new ATOM 545 N GLU A 34 2.208 0.170 -18.005 1.00 24.54 N ATOM 546 CA GLU A 34 1.717 1.517 -18.369 1.00 41.33 C ATOM 547 C GLU A 34 0.186 1.636 -18.214 1.00 72.42 C ATOM 548 O GLU A 34 -0.372 2.727 -18.382 1.00 45.14 O ATOM 549 CB GLU A 34 2.146 1.846 -19.822 1.00 43.21 C ATOM 550 CG GLU A 34 3.642 1.605 -20.116 1.00 52.12 C ATOM 551 CD GLU A 34 4.601 2.435 -19.243 1.00 45.41 C ATOM 552 OE1 GLU A 34 4.580 3.677 -19.343 1.00 4.23 O ATOM 553 OE2 GLU A 34 5.407 1.854 -18.485 1.00 2.40 O ATOM 0 H GLU A 34 2.282 -0.466 -18.799 1.00 24.54 H new ATOM 0 HA GLU A 34 2.162 2.238 -17.683 1.00 41.33 H new ATOM 0 HB2 GLU A 34 1.552 1.243 -20.509 1.00 43.21 H new ATOM 0 HB3 GLU A 34 1.911 2.890 -20.030 1.00 43.21 H new ATOM 0 HG2 GLU A 34 3.863 0.547 -19.973 1.00 52.12 H new ATOM 0 HG3 GLU A 34 3.835 1.832 -21.164 1.00 52.12 H new ATOM 560 N ASP A 35 -0.486 0.508 -17.913 1.00 63.42 N ATOM 561 CA ASP A 35 -1.932 0.479 -17.639 1.00 20.30 C ATOM 562 C ASP A 35 -2.213 1.142 -16.271 1.00 55.34 C ATOM 563 O ASP A 35 -2.249 0.481 -15.220 1.00 73.44 O ATOM 564 CB ASP A 35 -2.453 -0.978 -17.712 1.00 32.11 C ATOM 565 CG ASP A 35 -2.232 -1.602 -19.108 1.00 35.52 C ATOM 566 OD1 ASP A 35 -1.069 -1.925 -19.457 1.00 44.53 O ATOM 567 OD2 ASP A 35 -3.206 -1.759 -19.872 1.00 14.24 O ATOM 0 H ASP A 35 -0.040 -0.407 -17.853 1.00 63.42 H new ATOM 0 HA ASP A 35 -2.471 1.050 -18.395 1.00 20.30 H new ATOM 0 HB2 ASP A 35 -1.946 -1.583 -16.960 1.00 32.11 H new ATOM 0 HB3 ASP A 35 -3.516 -0.996 -17.471 1.00 32.11 H new ATOM 572 N MET A 36 -2.364 2.481 -16.320 1.00 1.32 N ATOM 573 CA MET A 36 -2.415 3.359 -15.132 1.00 35.51 C ATOM 574 C MET A 36 -3.589 3.029 -14.185 1.00 63.21 C ATOM 575 O MET A 36 -3.494 3.270 -12.996 1.00 41.21 O ATOM 576 CB MET A 36 -2.486 4.842 -15.576 1.00 43.21 C ATOM 577 CG MET A 36 -1.323 5.341 -16.470 1.00 11.24 C ATOM 578 SD MET A 36 0.210 5.709 -15.574 1.00 60.23 S ATOM 579 CE MET A 36 0.955 4.106 -15.259 1.00 55.31 C ATOM 0 H MET A 36 -2.455 2.991 -17.199 1.00 1.32 H new ATOM 0 HA MET A 36 -1.500 3.182 -14.567 1.00 35.51 H new ATOM 0 HB2 MET A 36 -3.422 4.995 -16.113 1.00 43.21 H new ATOM 0 HB3 MET A 36 -2.525 5.466 -14.683 1.00 43.21 H new ATOM 0 HG2 MET A 36 -1.114 4.586 -17.227 1.00 11.24 H new ATOM 0 HG3 MET A 36 -1.646 6.239 -16.996 1.00 11.24 H new ATOM 0 HE1 MET A 36 1.206 4.023 -14.202 1.00 55.31 H new ATOM 0 HE2 MET A 36 0.251 3.318 -15.527 1.00 55.31 H new ATOM 0 HE3 MET A 36 1.861 4.002 -15.857 1.00 55.31 H new ATOM 589 N GLU A 37 -4.664 2.465 -14.741 1.00 1.22 N ATOM 590 CA GLU A 37 -5.901 2.092 -13.997 1.00 75.54 C ATOM 591 C GLU A 37 -5.610 1.118 -12.821 1.00 52.32 C ATOM 592 O GLU A 37 -6.223 1.229 -11.751 1.00 0.03 O ATOM 593 CB GLU A 37 -6.960 1.469 -14.956 1.00 61.11 C ATOM 594 CG GLU A 37 -7.542 2.431 -16.026 1.00 20.00 C ATOM 595 CD GLU A 37 -6.510 2.955 -17.048 1.00 31.44 C ATOM 596 OE1 GLU A 37 -5.799 2.123 -17.658 1.00 12.12 O ATOM 597 OE2 GLU A 37 -6.375 4.186 -17.219 1.00 4.11 O ATOM 0 H GLU A 37 -4.715 2.245 -15.736 1.00 1.22 H new ATOM 0 HA GLU A 37 -6.301 3.013 -13.573 1.00 75.54 H new ATOM 0 HB2 GLU A 37 -6.507 0.618 -15.466 1.00 61.11 H new ATOM 0 HB3 GLU A 37 -7.783 1.080 -14.356 1.00 61.11 H new ATOM 0 HG2 GLU A 37 -8.338 1.916 -16.564 1.00 20.00 H new ATOM 0 HG3 GLU A 37 -7.998 3.282 -15.521 1.00 20.00 H new ATOM 604 N TYR A 38 -4.660 0.179 -13.031 1.00 23.04 N ATOM 605 CA TYR A 38 -4.161 -0.723 -11.957 1.00 55.23 C ATOM 606 C TYR A 38 -3.421 0.079 -10.861 1.00 55.23 C ATOM 607 O TYR A 38 -3.617 -0.162 -9.670 1.00 73.30 O ATOM 608 CB TYR A 38 -3.244 -1.838 -12.536 1.00 53.02 C ATOM 609 CG TYR A 38 -4.014 -3.036 -13.105 1.00 3.55 C ATOM 610 CD1 TYR A 38 -4.456 -4.058 -12.256 1.00 74.25 C ATOM 611 CD2 TYR A 38 -4.316 -3.145 -14.466 1.00 63.51 C ATOM 612 CE1 TYR A 38 -5.163 -5.137 -12.744 1.00 34.14 C ATOM 613 CE2 TYR A 38 -5.022 -4.231 -14.958 1.00 24.30 C ATOM 614 CZ TYR A 38 -5.444 -5.223 -14.091 1.00 72.01 C ATOM 615 OH TYR A 38 -6.153 -6.303 -14.570 1.00 62.43 O ATOM 0 H TYR A 38 -4.219 0.022 -13.937 1.00 23.04 H new ATOM 0 HA TYR A 38 -5.027 -1.205 -11.502 1.00 55.23 H new ATOM 0 HB2 TYR A 38 -2.621 -1.412 -13.322 1.00 53.02 H new ATOM 0 HB3 TYR A 38 -2.573 -2.188 -11.752 1.00 53.02 H new ATOM 0 HD1 TYR A 38 -4.239 -4.000 -11.200 1.00 74.25 H new ATOM 0 HD2 TYR A 38 -3.994 -2.370 -15.145 1.00 63.51 H new ATOM 0 HE1 TYR A 38 -5.496 -5.914 -12.072 1.00 34.14 H new ATOM 0 HE2 TYR A 38 -5.242 -4.303 -16.013 1.00 24.30 H new ATOM 0 HH TYR A 38 -6.269 -6.214 -15.539 1.00 62.43 H new ATOM 625 N TRP A 39 -2.586 1.043 -11.283 1.00 43.13 N ATOM 626 CA TRP A 39 -1.894 1.968 -10.359 1.00 53.33 C ATOM 627 C TRP A 39 -2.873 2.922 -9.634 1.00 2.32 C ATOM 628 O TRP A 39 -2.571 3.372 -8.542 1.00 33.00 O ATOM 629 CB TRP A 39 -0.783 2.769 -11.088 1.00 52.10 C ATOM 630 CG TRP A 39 0.478 1.971 -11.369 1.00 14.21 C ATOM 631 CD1 TRP A 39 1.092 1.807 -12.574 1.00 63.25 C ATOM 632 CD2 TRP A 39 1.273 1.230 -10.416 1.00 2.14 C ATOM 633 NE1 TRP A 39 2.215 1.046 -12.433 1.00 5.44 N ATOM 634 CE2 TRP A 39 2.342 0.668 -11.117 1.00 33.32 C ATOM 635 CE3 TRP A 39 1.186 0.982 -9.042 1.00 33.33 C ATOM 636 CZ2 TRP A 39 3.317 -0.123 -10.498 1.00 25.11 C ATOM 637 CZ3 TRP A 39 2.151 0.202 -8.429 1.00 53.32 C ATOM 638 CH2 TRP A 39 3.206 -0.343 -9.159 1.00 12.51 C ATOM 0 H TRP A 39 -2.370 1.206 -12.267 1.00 43.13 H new ATOM 0 HA TRP A 39 -1.425 1.348 -9.595 1.00 53.33 H new ATOM 0 HB2 TRP A 39 -1.180 3.143 -12.031 1.00 52.10 H new ATOM 0 HB3 TRP A 39 -0.522 3.638 -10.485 1.00 52.10 H new ATOM 0 HD1 TRP A 39 0.740 2.220 -13.507 1.00 63.25 H new ATOM 0 HE1 TRP A 39 2.858 0.797 -13.184 1.00 5.44 H new ATOM 0 HE3 TRP A 39 0.373 1.396 -8.464 1.00 33.33 H new ATOM 0 HZ2 TRP A 39 4.133 -0.546 -11.065 1.00 25.11 H new ATOM 0 HZ3 TRP A 39 2.086 0.013 -7.368 1.00 53.32 H new ATOM 0 HH2 TRP A 39 3.945 -0.948 -8.656 1.00 12.51 H new ATOM 649 N ASN A 40 -4.029 3.244 -10.253 1.00 22.40 N ATOM 650 CA ASN A 40 -5.100 4.045 -9.597 1.00 5.03 C ATOM 651 C ASN A 40 -5.702 3.258 -8.424 1.00 11.21 C ATOM 652 O ASN A 40 -5.955 3.816 -7.355 1.00 51.31 O ATOM 653 CB ASN A 40 -6.218 4.429 -10.606 1.00 33.22 C ATOM 654 CG ASN A 40 -5.808 5.489 -11.633 1.00 41.23 C ATOM 655 OD1 ASN A 40 -6.632 6.271 -12.087 1.00 20.34 O ATOM 656 ND2 ASN A 40 -4.557 5.529 -12.024 1.00 33.35 N ATOM 0 H ASN A 40 -4.250 2.964 -11.208 1.00 22.40 H new ATOM 0 HA ASN A 40 -4.650 4.965 -9.224 1.00 5.03 H new ATOM 0 HB2 ASN A 40 -6.536 3.531 -11.136 1.00 33.22 H new ATOM 0 HB3 ASN A 40 -7.082 4.794 -10.051 1.00 33.22 H new ATOM 0 HD21 ASN A 40 -4.260 6.218 -12.715 1.00 33.35 H new ATOM 0 HD22 ASN A 40 -3.880 4.871 -11.637 1.00 33.35 H new ATOM 663 N LYS A 41 -5.915 1.948 -8.648 1.00 52.21 N ATOM 664 CA LYS A 41 -6.375 1.025 -7.585 1.00 64.22 C ATOM 665 C LYS A 41 -5.371 1.008 -6.408 1.00 21.45 C ATOM 666 O LYS A 41 -5.717 1.369 -5.283 1.00 5.15 O ATOM 667 CB LYS A 41 -6.565 -0.417 -8.122 1.00 50.44 C ATOM 668 CG LYS A 41 -7.640 -0.572 -9.223 1.00 23.43 C ATOM 669 CD LYS A 41 -7.862 -2.052 -9.613 1.00 34.21 C ATOM 670 CE LYS A 41 -8.403 -2.894 -8.436 1.00 2.41 C ATOM 671 NZ LYS A 41 -8.406 -4.340 -8.742 1.00 41.05 N ATOM 0 H LYS A 41 -5.777 1.502 -9.555 1.00 52.21 H new ATOM 0 HA LYS A 41 -7.340 1.392 -7.235 1.00 64.22 H new ATOM 0 HB2 LYS A 41 -5.612 -0.770 -8.515 1.00 50.44 H new ATOM 0 HB3 LYS A 41 -6.826 -1.067 -7.287 1.00 50.44 H new ATOM 0 HG2 LYS A 41 -8.580 -0.144 -8.874 1.00 23.43 H new ATOM 0 HG3 LYS A 41 -7.340 -0.006 -10.105 1.00 23.43 H new ATOM 0 HD2 LYS A 41 -8.562 -2.105 -10.446 1.00 34.21 H new ATOM 0 HD3 LYS A 41 -6.921 -2.479 -9.960 1.00 34.21 H new ATOM 0 HE2 LYS A 41 -7.794 -2.713 -7.551 1.00 2.41 H new ATOM 0 HE3 LYS A 41 -9.417 -2.572 -8.197 1.00 2.41 H new ATOM 0 HZ1 LYS A 41 -8.744 -4.869 -7.913 1.00 41.05 H new ATOM 0 HZ2 LYS A 41 -9.035 -4.523 -9.550 1.00 41.05 H new ATOM 0 HZ3 LYS A 41 -7.441 -4.647 -8.978 1.00 41.05 H new ATOM 685 N ILE A 42 -4.108 0.685 -6.727 1.00 31.51 N ATOM 686 CA ILE A 42 -3.017 0.546 -5.736 1.00 41.14 C ATOM 687 C ILE A 42 -2.775 1.866 -4.958 1.00 54.00 C ATOM 688 O ILE A 42 -2.656 1.849 -3.742 1.00 44.21 O ATOM 689 CB ILE A 42 -1.696 0.072 -6.452 1.00 65.54 C ATOM 690 CG1 ILE A 42 -1.940 -1.312 -7.146 1.00 65.44 C ATOM 691 CG2 ILE A 42 -0.486 0.005 -5.474 1.00 12.32 C ATOM 692 CD1 ILE A 42 -0.840 -1.770 -8.080 1.00 3.02 C ATOM 0 H ILE A 42 -3.808 0.511 -7.686 1.00 31.51 H new ATOM 0 HA ILE A 42 -3.318 -0.207 -5.008 1.00 41.14 H new ATOM 0 HB ILE A 42 -1.439 0.812 -7.210 1.00 65.54 H new ATOM 0 HG12 ILE A 42 -2.076 -2.068 -6.373 1.00 65.44 H new ATOM 0 HG13 ILE A 42 -2.872 -1.259 -7.708 1.00 65.44 H new ATOM 0 HG21 ILE A 42 0.401 -0.327 -6.014 1.00 12.32 H new ATOM 0 HG22 ILE A 42 -0.305 0.993 -5.051 1.00 12.32 H new ATOM 0 HG23 ILE A 42 -0.706 -0.699 -4.671 1.00 12.32 H new ATOM 0 HD11 ILE A 42 -1.105 -2.737 -8.508 1.00 3.02 H new ATOM 0 HD12 ILE A 42 -0.715 -1.041 -8.880 1.00 3.02 H new ATOM 0 HD13 ILE A 42 0.093 -1.863 -7.525 1.00 3.02 H new ATOM 704 N TYR A 43 -2.764 3.000 -5.678 1.00 33.21 N ATOM 705 CA TYR A 43 -2.498 4.336 -5.089 1.00 73.24 C ATOM 706 C TYR A 43 -3.580 4.743 -4.062 1.00 11.33 C ATOM 707 O TYR A 43 -3.252 5.195 -2.970 1.00 12.04 O ATOM 708 CB TYR A 43 -2.397 5.414 -6.200 1.00 71.11 C ATOM 709 CG TYR A 43 -2.118 6.835 -5.678 1.00 33.21 C ATOM 710 CD1 TYR A 43 -0.882 7.163 -5.115 1.00 15.11 C ATOM 711 CD2 TYR A 43 -3.094 7.837 -5.725 1.00 23.54 C ATOM 712 CE1 TYR A 43 -0.637 8.431 -4.628 1.00 60.43 C ATOM 713 CE2 TYR A 43 -2.844 9.104 -5.238 1.00 75.43 C ATOM 714 CZ TYR A 43 -1.617 9.395 -4.692 1.00 1.22 C ATOM 715 OH TYR A 43 -1.360 10.661 -4.217 1.00 4.34 O ATOM 0 H TYR A 43 -2.938 3.024 -6.683 1.00 33.21 H new ATOM 0 HA TYR A 43 -1.545 4.268 -4.564 1.00 73.24 H new ATOM 0 HB2 TYR A 43 -1.605 5.132 -6.893 1.00 71.11 H new ATOM 0 HB3 TYR A 43 -3.328 5.424 -6.767 1.00 71.11 H new ATOM 0 HD1 TYR A 43 -0.107 6.413 -5.060 1.00 15.11 H new ATOM 0 HD2 TYR A 43 -4.061 7.615 -6.151 1.00 23.54 H new ATOM 0 HE1 TYR A 43 0.325 8.667 -4.196 1.00 60.43 H new ATOM 0 HE2 TYR A 43 -3.610 9.864 -5.286 1.00 75.43 H new ATOM 0 HH TYR A 43 -0.976 11.208 -4.934 1.00 4.34 H new ATOM 725 N ARG A 44 -4.864 4.600 -4.439 1.00 31.02 N ATOM 726 CA ARG A 44 -6.009 4.997 -3.576 1.00 43.24 C ATOM 727 C ARG A 44 -6.199 4.045 -2.363 1.00 0.01 C ATOM 728 O ARG A 44 -6.715 4.459 -1.317 1.00 51.35 O ATOM 729 CB ARG A 44 -7.308 5.094 -4.411 1.00 24.43 C ATOM 730 CG ARG A 44 -7.221 6.094 -5.589 1.00 72.42 C ATOM 731 CD ARG A 44 -8.550 6.243 -6.350 1.00 1.44 C ATOM 732 NE ARG A 44 -9.597 6.859 -5.517 1.00 13.01 N ATOM 733 CZ ARG A 44 -10.888 6.700 -5.665 1.00 52.24 C ATOM 734 NH1 ARG A 44 -11.374 5.878 -6.547 1.00 33.34 N ATOM 735 NH2 ARG A 44 -11.694 7.358 -4.909 1.00 25.45 N ATOM 0 H ARG A 44 -5.143 4.211 -5.340 1.00 31.02 H new ATOM 0 HA ARG A 44 -5.778 5.981 -3.168 1.00 43.24 H new ATOM 0 HB2 ARG A 44 -7.552 4.106 -4.802 1.00 24.43 H new ATOM 0 HB3 ARG A 44 -8.128 5.389 -3.756 1.00 24.43 H new ATOM 0 HG2 ARG A 44 -6.915 7.069 -5.209 1.00 72.42 H new ATOM 0 HG3 ARG A 44 -6.447 5.764 -6.282 1.00 72.42 H new ATOM 0 HD2 ARG A 44 -8.391 6.851 -7.241 1.00 1.44 H new ATOM 0 HD3 ARG A 44 -8.886 5.263 -6.688 1.00 1.44 H new ATOM 0 HE ARG A 44 -9.288 7.464 -4.756 1.00 13.01 H new ATOM 0 HH11 ARG A 44 -10.745 5.339 -7.143 1.00 33.34 H new ATOM 0 HH12 ARG A 44 -12.384 5.772 -6.643 1.00 33.34 H new ATOM 0 HH21 ARG A 44 -11.325 7.996 -4.203 1.00 25.45 H new ATOM 0 HH22 ARG A 44 -12.702 7.242 -5.015 1.00 25.45 H new ATOM 749 N LEU A 45 -5.782 2.773 -2.512 1.00 12.33 N ATOM 750 CA LEU A 45 -5.800 1.787 -1.406 1.00 30.31 C ATOM 751 C LEU A 45 -4.618 2.025 -0.421 1.00 33.03 C ATOM 752 O LEU A 45 -4.790 1.913 0.794 1.00 5.11 O ATOM 753 CB LEU A 45 -5.781 0.343 -1.977 1.00 74.15 C ATOM 754 CG LEU A 45 -7.012 -0.068 -2.860 1.00 32.44 C ATOM 755 CD1 LEU A 45 -6.823 -1.474 -3.480 1.00 4.11 C ATOM 756 CD2 LEU A 45 -8.339 0.026 -2.070 1.00 1.53 C ATOM 0 H LEU A 45 -5.426 2.399 -3.392 1.00 12.33 H new ATOM 0 HA LEU A 45 -6.722 1.918 -0.840 1.00 30.31 H new ATOM 0 HB2 LEU A 45 -4.876 0.222 -2.573 1.00 74.15 H new ATOM 0 HB3 LEU A 45 -5.709 -0.355 -1.143 1.00 74.15 H new ATOM 0 HG LEU A 45 -7.071 0.647 -3.681 1.00 32.44 H new ATOM 0 HD11 LEU A 45 -7.694 -1.725 -4.085 1.00 4.11 H new ATOM 0 HD12 LEU A 45 -5.932 -1.478 -4.108 1.00 4.11 H new ATOM 0 HD13 LEU A 45 -6.709 -2.210 -2.684 1.00 4.11 H new ATOM 0 HD21 LEU A 45 -9.168 -0.266 -2.715 1.00 1.53 H new ATOM 0 HD22 LEU A 45 -8.297 -0.640 -1.208 1.00 1.53 H new ATOM 0 HD23 LEU A 45 -8.488 1.051 -1.730 1.00 1.53 H new ATOM 768 N VAL A 46 -3.426 2.373 -0.962 1.00 51.14 N ATOM 769 CA VAL A 46 -2.239 2.784 -0.148 1.00 64.25 C ATOM 770 C VAL A 46 -2.467 4.177 0.500 1.00 61.25 C ATOM 771 O VAL A 46 -1.940 4.471 1.579 1.00 54.15 O ATOM 772 CB VAL A 46 -0.903 2.765 -0.998 1.00 51.02 C ATOM 773 CG1 VAL A 46 0.302 3.369 -0.218 1.00 15.53 C ATOM 774 CG2 VAL A 46 -0.578 1.317 -1.464 1.00 44.44 C ATOM 0 H VAL A 46 -3.253 2.379 -1.967 1.00 51.14 H new ATOM 0 HA VAL A 46 -2.123 2.050 0.650 1.00 64.25 H new ATOM 0 HB VAL A 46 -1.068 3.394 -1.873 1.00 51.02 H new ATOM 0 HG11 VAL A 46 1.194 3.333 -0.843 1.00 15.53 H new ATOM 0 HG12 VAL A 46 0.084 4.404 0.044 1.00 15.53 H new ATOM 0 HG13 VAL A 46 0.472 2.793 0.691 1.00 15.53 H new ATOM 0 HG21 VAL A 46 0.343 1.320 -2.047 1.00 44.44 H new ATOM 0 HG22 VAL A 46 -0.454 0.674 -0.593 1.00 44.44 H new ATOM 0 HG23 VAL A 46 -1.395 0.941 -2.079 1.00 44.44 H new ATOM 784 N HIS A 47 -3.288 5.015 -0.164 1.00 43.41 N ATOM 785 CA HIS A 47 -3.778 6.300 0.390 1.00 74.22 C ATOM 786 C HIS A 47 -4.523 6.046 1.721 1.00 10.52 C ATOM 787 O HIS A 47 -4.356 6.789 2.688 1.00 74.43 O ATOM 788 CB HIS A 47 -4.717 6.990 -0.638 1.00 43.04 C ATOM 789 CG HIS A 47 -5.286 8.321 -0.214 1.00 24.15 C ATOM 790 ND1 HIS A 47 -6.384 8.449 0.612 1.00 3.41 N ATOM 791 CD2 HIS A 47 -4.917 9.589 -0.526 1.00 15.23 C ATOM 792 CE1 HIS A 47 -6.662 9.722 0.784 1.00 12.21 C ATOM 793 NE2 HIS A 47 -5.790 10.431 0.108 1.00 52.34 N ATOM 0 H HIS A 47 -3.633 4.822 -1.104 1.00 43.41 H new ATOM 0 HA HIS A 47 -2.931 6.958 0.586 1.00 74.22 H new ATOM 0 HB2 HIS A 47 -4.166 7.131 -1.568 1.00 43.04 H new ATOM 0 HB3 HIS A 47 -5.544 6.315 -0.857 1.00 43.04 H new ATOM 0 HD1 HIS A 47 -6.901 7.674 1.026 1.00 3.41 H new ATOM 0 HD2 HIS A 47 -4.090 9.879 -1.156 1.00 15.23 H new ATOM 0 HE1 HIS A 47 -7.471 10.117 1.381 1.00 12.21 H new ATOM 802 N THR A 48 -5.322 4.962 1.734 1.00 53.45 N ATOM 803 CA THR A 48 -6.062 4.512 2.927 1.00 45.54 C ATOM 804 C THR A 48 -5.127 3.854 3.977 1.00 53.10 C ATOM 805 O THR A 48 -5.318 4.065 5.167 1.00 71.54 O ATOM 806 CB THR A 48 -7.214 3.530 2.539 1.00 34.12 C ATOM 807 OG1 THR A 48 -8.075 4.162 1.581 1.00 71.33 O ATOM 808 CG2 THR A 48 -8.044 3.088 3.763 1.00 43.24 C ATOM 0 H THR A 48 -5.472 4.373 0.915 1.00 53.45 H new ATOM 0 HA THR A 48 -6.499 5.401 3.381 1.00 45.54 H new ATOM 0 HB THR A 48 -6.757 2.637 2.113 1.00 34.12 H new ATOM 0 HG1 THR A 48 -7.613 4.229 0.719 1.00 71.33 H new ATOM 0 HG21 THR A 48 -8.832 2.407 3.442 1.00 43.24 H new ATOM 0 HG22 THR A 48 -7.396 2.582 4.478 1.00 43.24 H new ATOM 0 HG23 THR A 48 -8.491 3.963 4.235 1.00 43.24 H new ATOM 816 N MET A 49 -4.110 3.070 3.526 1.00 12.22 N ATOM 817 CA MET A 49 -3.084 2.461 4.440 1.00 65.14 C ATOM 818 C MET A 49 -2.336 3.551 5.237 1.00 33.21 C ATOM 819 O MET A 49 -2.059 3.400 6.432 1.00 44.20 O ATOM 820 CB MET A 49 -2.044 1.627 3.642 1.00 42.41 C ATOM 821 CG MET A 49 -2.634 0.476 2.847 1.00 21.03 C ATOM 822 SD MET A 49 -1.388 -0.463 1.945 1.00 42.22 S ATOM 823 CE MET A 49 -2.426 -1.631 1.073 1.00 74.42 C ATOM 0 H MET A 49 -3.973 2.841 2.541 1.00 12.22 H new ATOM 0 HA MET A 49 -3.620 1.808 5.128 1.00 65.14 H new ATOM 0 HB2 MET A 49 -1.514 2.290 2.958 1.00 42.41 H new ATOM 0 HB3 MET A 49 -1.305 1.230 4.338 1.00 42.41 H new ATOM 0 HG2 MET A 49 -3.166 -0.192 3.524 1.00 21.03 H new ATOM 0 HG3 MET A 49 -3.369 0.866 2.142 1.00 21.03 H new ATOM 0 HE1 MET A 49 -1.829 -2.168 0.336 1.00 74.42 H new ATOM 0 HE2 MET A 49 -2.851 -2.341 1.783 1.00 74.42 H new ATOM 0 HE3 MET A 49 -3.231 -1.096 0.569 1.00 74.42 H new ATOM 833 N LYS A 50 -2.025 4.637 4.525 1.00 10.14 N ATOM 834 CA LYS A 50 -1.433 5.857 5.085 1.00 73.42 C ATOM 835 C LYS A 50 -2.359 6.466 6.170 1.00 44.13 C ATOM 836 O LYS A 50 -1.925 6.724 7.287 1.00 34.12 O ATOM 837 CB LYS A 50 -1.211 6.870 3.940 1.00 42.21 C ATOM 838 CG LYS A 50 -0.505 8.177 4.347 1.00 22.40 C ATOM 839 CD LYS A 50 -0.508 9.225 3.208 1.00 14.23 C ATOM 840 CE LYS A 50 -1.932 9.731 2.884 1.00 31.41 C ATOM 841 NZ LYS A 50 -2.531 10.473 4.022 1.00 25.55 N ATOM 0 H LYS A 50 -2.181 4.695 3.519 1.00 10.14 H new ATOM 0 HA LYS A 50 -0.480 5.616 5.556 1.00 73.42 H new ATOM 0 HB2 LYS A 50 -0.624 6.387 3.158 1.00 42.21 H new ATOM 0 HB3 LYS A 50 -2.179 7.119 3.504 1.00 42.21 H new ATOM 0 HG2 LYS A 50 -0.998 8.596 5.224 1.00 22.40 H new ATOM 0 HG3 LYS A 50 0.524 7.958 4.633 1.00 22.40 H new ATOM 0 HD2 LYS A 50 0.120 10.069 3.492 1.00 14.23 H new ATOM 0 HD3 LYS A 50 -0.067 8.787 2.312 1.00 14.23 H new ATOM 0 HE2 LYS A 50 -1.896 10.378 2.008 1.00 31.41 H new ATOM 0 HE3 LYS A 50 -2.568 8.884 2.628 1.00 31.41 H new ATOM 0 HZ1 LYS A 50 -3.446 10.047 4.271 1.00 25.55 H new ATOM 0 HZ2 LYS A 50 -1.892 10.426 4.842 1.00 25.55 H new ATOM 0 HZ3 LYS A 50 -2.674 11.467 3.751 1.00 25.55 H new ATOM 855 N GLU A 51 -3.651 6.647 5.813 1.00 15.11 N ATOM 856 CA GLU A 51 -4.695 7.159 6.743 1.00 74.55 C ATOM 857 C GLU A 51 -4.821 6.287 8.019 1.00 35.23 C ATOM 858 O GLU A 51 -4.990 6.811 9.117 1.00 13.34 O ATOM 859 CB GLU A 51 -6.074 7.216 6.036 1.00 21.12 C ATOM 860 CG GLU A 51 -6.168 8.219 4.878 1.00 1.41 C ATOM 861 CD GLU A 51 -7.540 8.187 4.187 1.00 51.45 C ATOM 862 OE1 GLU A 51 -8.495 8.786 4.728 1.00 72.41 O ATOM 863 OE2 GLU A 51 -7.673 7.544 3.120 1.00 4.24 O ATOM 0 H GLU A 51 -4.003 6.445 4.877 1.00 15.11 H new ATOM 0 HA GLU A 51 -4.385 8.161 7.040 1.00 74.55 H new ATOM 0 HB2 GLU A 51 -6.312 6.222 5.656 1.00 21.12 H new ATOM 0 HB3 GLU A 51 -6.835 7.466 6.776 1.00 21.12 H new ATOM 0 HG2 GLU A 51 -5.977 9.224 5.255 1.00 1.41 H new ATOM 0 HG3 GLU A 51 -5.390 8.000 4.146 1.00 1.41 H new ATOM 870 N ILE A 52 -4.725 4.955 7.837 1.00 33.20 N ATOM 871 CA ILE A 52 -4.830 3.955 8.929 1.00 55.15 C ATOM 872 C ILE A 52 -3.720 4.153 9.990 1.00 41.12 C ATOM 873 O ILE A 52 -4.014 4.331 11.173 1.00 1.13 O ATOM 874 CB ILE A 52 -4.785 2.480 8.341 1.00 11.42 C ATOM 875 CG1 ILE A 52 -6.117 2.149 7.586 1.00 62.11 C ATOM 876 CG2 ILE A 52 -4.465 1.410 9.423 1.00 2.02 C ATOM 877 CD1 ILE A 52 -6.190 0.751 6.984 1.00 62.41 C ATOM 0 H ILE A 52 -4.571 4.535 6.921 1.00 33.20 H new ATOM 0 HA ILE A 52 -5.790 4.104 9.424 1.00 55.15 H new ATOM 0 HB ILE A 52 -3.962 2.444 7.627 1.00 11.42 H new ATOM 0 HG12 ILE A 52 -6.949 2.273 8.279 1.00 62.11 H new ATOM 0 HG13 ILE A 52 -6.255 2.879 6.788 1.00 62.11 H new ATOM 0 HG21 ILE A 52 -4.447 0.422 8.963 1.00 2.02 H new ATOM 0 HG22 ILE A 52 -3.492 1.621 9.867 1.00 2.02 H new ATOM 0 HG23 ILE A 52 -5.231 1.436 10.198 1.00 2.02 H new ATOM 0 HD11 ILE A 52 -7.150 0.620 6.484 1.00 62.41 H new ATOM 0 HD12 ILE A 52 -5.384 0.623 6.262 1.00 62.41 H new ATOM 0 HD13 ILE A 52 -6.089 0.008 7.775 1.00 62.41 H new ATOM 889 N THR A 53 -2.451 4.140 9.554 1.00 22.24 N ATOM 890 CA THR A 53 -1.297 4.305 10.471 1.00 15.11 C ATOM 891 C THR A 53 -1.258 5.721 11.109 1.00 2.44 C ATOM 892 O THR A 53 -0.807 5.879 12.243 1.00 71.22 O ATOM 893 CB THR A 53 0.061 3.969 9.769 1.00 31.51 C ATOM 894 OG1 THR A 53 1.154 4.252 10.632 1.00 14.11 O ATOM 895 CG2 THR A 53 0.265 4.734 8.463 1.00 72.12 C ATOM 0 H THR A 53 -2.191 4.018 8.575 1.00 22.24 H new ATOM 0 HA THR A 53 -1.438 3.585 11.277 1.00 15.11 H new ATOM 0 HB THR A 53 0.020 2.905 9.536 1.00 31.51 H new ATOM 0 HG1 THR A 53 1.336 5.215 10.624 1.00 14.11 H new ATOM 0 HG21 THR A 53 1.224 4.457 8.025 1.00 72.12 H new ATOM 0 HG22 THR A 53 -0.537 4.486 7.767 1.00 72.12 H new ATOM 0 HG23 THR A 53 0.253 5.805 8.663 1.00 72.12 H new ATOM 903 N GLU A 54 -1.769 6.740 10.389 1.00 11.35 N ATOM 904 CA GLU A 54 -1.864 8.126 10.916 1.00 15.13 C ATOM 905 C GLU A 54 -3.010 8.284 11.955 1.00 73.41 C ATOM 906 O GLU A 54 -2.898 9.098 12.878 1.00 34.12 O ATOM 907 CB GLU A 54 -2.028 9.137 9.757 1.00 25.52 C ATOM 908 CG GLU A 54 -0.819 9.213 8.814 1.00 41.13 C ATOM 909 CD GLU A 54 -0.956 10.320 7.764 1.00 43.22 C ATOM 910 OE1 GLU A 54 -1.751 10.159 6.813 1.00 71.33 O ATOM 911 OE2 GLU A 54 -0.288 11.370 7.900 1.00 12.41 O ATOM 0 H GLU A 54 -2.124 6.634 9.439 1.00 11.35 H new ATOM 0 HA GLU A 54 -0.931 8.339 11.438 1.00 15.13 H new ATOM 0 HB2 GLU A 54 -2.911 8.868 9.177 1.00 25.52 H new ATOM 0 HB3 GLU A 54 -2.211 10.127 10.176 1.00 25.52 H new ATOM 0 HG2 GLU A 54 0.084 9.384 9.401 1.00 41.13 H new ATOM 0 HG3 GLU A 54 -0.695 8.254 8.311 1.00 41.13 H new ATOM 918 N THR A 55 -4.105 7.505 11.795 1.00 52.32 N ATOM 919 CA THR A 55 -5.213 7.451 12.797 1.00 14.20 C ATOM 920 C THR A 55 -4.810 6.585 14.017 1.00 53.14 C ATOM 921 O THR A 55 -5.364 6.742 15.111 1.00 21.02 O ATOM 922 CB THR A 55 -6.564 6.914 12.183 1.00 32.34 C ATOM 923 OG1 THR A 55 -6.354 5.676 11.493 1.00 13.51 O ATOM 924 CG2 THR A 55 -7.213 7.935 11.224 1.00 44.01 C ATOM 0 H THR A 55 -4.252 6.903 10.985 1.00 52.32 H new ATOM 0 HA THR A 55 -5.386 8.477 13.120 1.00 14.20 H new ATOM 0 HB THR A 55 -7.245 6.753 13.018 1.00 32.34 H new ATOM 0 HG1 THR A 55 -5.427 5.383 11.621 1.00 13.51 H new ATOM 0 HG21 THR A 55 -8.140 7.522 10.826 1.00 44.01 H new ATOM 0 HG22 THR A 55 -7.429 8.856 11.765 1.00 44.01 H new ATOM 0 HG23 THR A 55 -6.529 8.149 10.403 1.00 44.01 H new ATOM 932 N MET A 56 -3.837 5.673 13.810 1.00 42.11 N ATOM 933 CA MET A 56 -3.217 4.871 14.895 1.00 41.14 C ATOM 934 C MET A 56 -2.096 5.656 15.631 1.00 60.35 C ATOM 935 O MET A 56 -1.684 5.265 16.730 1.00 54.00 O ATOM 936 CB MET A 56 -2.658 3.538 14.323 1.00 20.34 C ATOM 937 CG MET A 56 -3.727 2.570 13.799 1.00 12.24 C ATOM 938 SD MET A 56 -3.022 1.024 13.180 1.00 43.34 S ATOM 939 CE MET A 56 -4.497 0.062 12.838 1.00 3.42 C ATOM 0 H MET A 56 -3.456 5.469 12.886 1.00 42.11 H new ATOM 0 HA MET A 56 -3.994 4.651 15.627 1.00 41.14 H new ATOM 0 HB2 MET A 56 -1.966 3.767 13.513 1.00 20.34 H new ATOM 0 HB3 MET A 56 -2.083 3.037 15.101 1.00 20.34 H new ATOM 0 HG2 MET A 56 -4.434 2.348 14.598 1.00 12.24 H new ATOM 0 HG3 MET A 56 -4.290 3.054 13.001 1.00 12.24 H new ATOM 0 HE1 MET A 56 -4.494 -0.839 13.451 1.00 3.42 H new ATOM 0 HE2 MET A 56 -5.381 0.656 13.070 1.00 3.42 H new ATOM 0 HE3 MET A 56 -4.514 -0.216 11.784 1.00 3.42 H new ATOM 949 N GLY A 57 -1.603 6.751 15.009 1.00 41.12 N ATOM 950 CA GLY A 57 -0.588 7.630 15.624 1.00 22.12 C ATOM 951 C GLY A 57 0.865 7.222 15.327 1.00 72.00 C ATOM 952 O GLY A 57 1.790 7.687 15.996 1.00 31.52 O ATOM 0 H GLY A 57 -1.895 7.046 14.077 1.00 41.12 H new ATOM 0 HA2 GLY A 57 -0.746 8.650 15.272 1.00 22.12 H new ATOM 0 HA3 GLY A 57 -0.737 7.638 16.704 1.00 22.12 H new ATOM 956 N PHE A 58 1.066 6.335 14.341 1.00 62.05 N ATOM 957 CA PHE A 58 2.402 5.923 13.863 1.00 70.22 C ATOM 958 C PHE A 58 2.876 6.828 12.694 1.00 12.32 C ATOM 959 O PHE A 58 2.447 6.650 11.548 1.00 63.24 O ATOM 960 CB PHE A 58 2.357 4.443 13.405 1.00 53.24 C ATOM 961 CG PHE A 58 2.168 3.420 14.520 1.00 25.01 C ATOM 962 CD1 PHE A 58 3.264 2.882 15.199 1.00 14.42 C ATOM 963 CD2 PHE A 58 0.894 2.985 14.882 1.00 54.43 C ATOM 964 CE1 PHE A 58 3.085 1.946 16.205 1.00 61.24 C ATOM 965 CE2 PHE A 58 0.714 2.052 15.883 1.00 24.51 C ATOM 966 CZ PHE A 58 1.811 1.529 16.546 1.00 75.02 C ATOM 0 H PHE A 58 0.301 5.877 13.846 1.00 62.05 H new ATOM 0 HA PHE A 58 3.112 6.028 14.683 1.00 70.22 H new ATOM 0 HB2 PHE A 58 1.545 4.327 12.687 1.00 53.24 H new ATOM 0 HB3 PHE A 58 3.284 4.215 12.878 1.00 53.24 H new ATOM 0 HD1 PHE A 58 4.262 3.199 14.937 1.00 14.42 H new ATOM 0 HD2 PHE A 58 0.032 3.386 14.370 1.00 54.43 H new ATOM 0 HE1 PHE A 58 3.942 1.541 16.724 1.00 61.24 H new ATOM 0 HE2 PHE A 58 -0.282 1.730 16.149 1.00 24.51 H new ATOM 0 HZ PHE A 58 1.672 0.797 17.328 1.00 75.02 H new ATOM 976 N SER A 59 3.749 7.805 12.992 1.00 23.33 N ATOM 977 CA SER A 59 4.376 8.662 11.954 1.00 22.13 C ATOM 978 C SER A 59 5.454 7.877 11.180 1.00 32.22 C ATOM 979 O SER A 59 5.534 7.961 9.960 1.00 11.34 O ATOM 980 CB SER A 59 4.997 9.930 12.586 1.00 12.25 C ATOM 981 OG SER A 59 4.012 10.723 13.227 1.00 62.22 O ATOM 0 H SER A 59 4.041 8.027 13.944 1.00 23.33 H new ATOM 0 HA SER A 59 3.596 8.969 11.257 1.00 22.13 H new ATOM 0 HB2 SER A 59 5.761 9.642 13.308 1.00 12.25 H new ATOM 0 HB3 SER A 59 5.494 10.518 11.814 1.00 12.25 H new ATOM 0 HG SER A 59 4.434 11.516 13.618 1.00 62.22 H new ATOM 987 N SER A 60 6.251 7.084 11.919 1.00 23.34 N ATOM 988 CA SER A 60 7.379 6.290 11.364 1.00 13.34 C ATOM 989 C SER A 60 6.903 5.259 10.302 1.00 32.34 C ATOM 990 O SER A 60 7.546 5.094 9.254 1.00 63.04 O ATOM 991 CB SER A 60 8.133 5.581 12.515 1.00 52.34 C ATOM 992 OG SER A 60 9.253 4.843 12.048 1.00 21.34 O ATOM 0 H SER A 60 6.135 6.971 12.926 1.00 23.34 H new ATOM 0 HA SER A 60 8.055 6.977 10.856 1.00 13.34 H new ATOM 0 HB2 SER A 60 8.466 6.323 13.240 1.00 52.34 H new ATOM 0 HB3 SER A 60 7.450 4.910 13.036 1.00 52.34 H new ATOM 0 HG SER A 60 9.701 4.413 12.806 1.00 21.34 H new ATOM 998 N VAL A 61 5.763 4.586 10.577 1.00 10.55 N ATOM 999 CA VAL A 61 5.124 3.659 9.608 1.00 54.31 C ATOM 1000 C VAL A 61 4.521 4.448 8.413 1.00 14.22 C ATOM 1001 O VAL A 61 4.626 4.018 7.261 1.00 52.25 O ATOM 1002 CB VAL A 61 4.000 2.776 10.280 1.00 1.54 C ATOM 1003 CG1 VAL A 61 3.389 1.756 9.275 1.00 2.44 C ATOM 1004 CG2 VAL A 61 4.518 2.059 11.554 1.00 13.42 C ATOM 0 H VAL A 61 5.264 4.666 11.463 1.00 10.55 H new ATOM 0 HA VAL A 61 5.906 2.990 9.248 1.00 54.31 H new ATOM 0 HB VAL A 61 3.204 3.456 10.584 1.00 1.54 H new ATOM 0 HG11 VAL A 61 2.620 1.168 9.776 1.00 2.44 H new ATOM 0 HG12 VAL A 61 2.947 2.293 8.436 1.00 2.44 H new ATOM 0 HG13 VAL A 61 4.172 1.092 8.909 1.00 2.44 H new ATOM 0 HG21 VAL A 61 3.716 1.462 11.987 1.00 13.42 H new ATOM 0 HG22 VAL A 61 5.353 1.409 11.292 1.00 13.42 H new ATOM 0 HG23 VAL A 61 4.850 2.801 12.280 1.00 13.42 H new ATOM 1014 N ALA A 62 3.921 5.625 8.705 1.00 53.11 N ATOM 1015 CA ALA A 62 3.296 6.496 7.674 1.00 14.41 C ATOM 1016 C ALA A 62 4.313 6.996 6.625 1.00 4.24 C ATOM 1017 O ALA A 62 3.956 7.148 5.462 1.00 50.32 O ATOM 1018 CB ALA A 62 2.585 7.692 8.319 1.00 22.05 C ATOM 0 H ALA A 62 3.855 5.998 9.652 1.00 53.11 H new ATOM 0 HA ALA A 62 2.562 5.878 7.156 1.00 14.41 H new ATOM 0 HB1 ALA A 62 2.137 8.312 7.542 1.00 22.05 H new ATOM 0 HB2 ALA A 62 1.805 7.333 8.991 1.00 22.05 H new ATOM 0 HB3 ALA A 62 3.306 8.283 8.883 1.00 22.05 H new ATOM 1024 N LYS A 63 5.573 7.252 7.058 1.00 60.10 N ATOM 1025 CA LYS A 63 6.688 7.631 6.143 1.00 33.54 C ATOM 1026 C LYS A 63 6.952 6.532 5.085 1.00 42.12 C ATOM 1027 O LYS A 63 7.191 6.843 3.909 1.00 72.24 O ATOM 1028 CB LYS A 63 8.004 7.961 6.935 1.00 25.14 C ATOM 1029 CG LYS A 63 8.197 9.460 7.290 1.00 2.52 C ATOM 1030 CD LYS A 63 7.129 10.013 8.261 1.00 23.41 C ATOM 1031 CE LYS A 63 7.292 11.518 8.538 1.00 24.03 C ATOM 1032 NZ LYS A 63 8.612 11.830 9.137 1.00 34.44 N ATOM 0 H LYS A 63 5.847 7.203 8.039 1.00 60.10 H new ATOM 0 HA LYS A 63 6.375 8.536 5.622 1.00 33.54 H new ATOM 0 HB2 LYS A 63 8.010 7.381 7.858 1.00 25.14 H new ATOM 0 HB3 LYS A 63 8.858 7.630 6.345 1.00 25.14 H new ATOM 0 HG2 LYS A 63 9.183 9.595 7.734 1.00 2.52 H new ATOM 0 HG3 LYS A 63 8.178 10.047 6.372 1.00 2.52 H new ATOM 0 HD2 LYS A 63 6.138 9.831 7.845 1.00 23.41 H new ATOM 0 HD3 LYS A 63 7.185 9.467 9.203 1.00 23.41 H new ATOM 0 HE2 LYS A 63 7.175 12.073 7.607 1.00 24.03 H new ATOM 0 HE3 LYS A 63 6.501 11.851 9.209 1.00 24.03 H new ATOM 0 HZ1 LYS A 63 8.644 12.835 9.402 1.00 34.44 H new ATOM 0 HZ2 LYS A 63 8.756 11.244 9.984 1.00 34.44 H new ATOM 0 HZ3 LYS A 63 9.363 11.630 8.446 1.00 34.44 H new ATOM 1046 N VAL A 64 6.886 5.257 5.518 1.00 32.40 N ATOM 1047 CA VAL A 64 7.028 4.090 4.615 1.00 54.20 C ATOM 1048 C VAL A 64 5.944 4.121 3.506 1.00 4.43 C ATOM 1049 O VAL A 64 6.268 4.140 2.327 1.00 32.40 O ATOM 1050 CB VAL A 64 6.955 2.726 5.409 1.00 70.41 C ATOM 1051 CG1 VAL A 64 7.006 1.496 4.457 1.00 23.34 C ATOM 1052 CG2 VAL A 64 8.071 2.656 6.490 1.00 51.42 C ATOM 0 H VAL A 64 6.734 5.005 6.495 1.00 32.40 H new ATOM 0 HA VAL A 64 8.012 4.156 4.151 1.00 54.20 H new ATOM 0 HB VAL A 64 5.991 2.692 5.916 1.00 70.41 H new ATOM 0 HG11 VAL A 64 6.953 0.579 5.044 1.00 23.34 H new ATOM 0 HG12 VAL A 64 6.163 1.534 3.767 1.00 23.34 H new ATOM 0 HG13 VAL A 64 7.938 1.512 3.892 1.00 23.34 H new ATOM 0 HG21 VAL A 64 8.001 1.708 7.024 1.00 51.42 H new ATOM 0 HG22 VAL A 64 9.047 2.732 6.011 1.00 51.42 H new ATOM 0 HG23 VAL A 64 7.948 3.479 7.194 1.00 51.42 H new ATOM 1062 N LEU A 65 4.661 4.190 3.912 1.00 55.00 N ATOM 1063 CA LEU A 65 3.502 4.219 2.970 1.00 41.14 C ATOM 1064 C LEU A 65 3.505 5.492 2.092 1.00 61.50 C ATOM 1065 O LEU A 65 3.081 5.461 0.933 1.00 45.00 O ATOM 1066 CB LEU A 65 2.153 4.098 3.754 1.00 35.34 C ATOM 1067 CG LEU A 65 1.798 2.682 4.321 1.00 64.35 C ATOM 1068 CD1 LEU A 65 1.647 1.649 3.180 1.00 30.31 C ATOM 1069 CD2 LEU A 65 2.826 2.208 5.367 1.00 13.40 C ATOM 0 H LEU A 65 4.390 4.227 4.894 1.00 55.00 H new ATOM 0 HA LEU A 65 3.601 3.361 2.304 1.00 41.14 H new ATOM 0 HB2 LEU A 65 2.178 4.802 4.586 1.00 35.34 H new ATOM 0 HB3 LEU A 65 1.345 4.413 3.093 1.00 35.34 H new ATOM 0 HG LEU A 65 0.838 2.768 4.829 1.00 64.35 H new ATOM 0 HD11 LEU A 65 1.401 0.675 3.602 1.00 30.31 H new ATOM 0 HD12 LEU A 65 0.850 1.965 2.506 1.00 30.31 H new ATOM 0 HD13 LEU A 65 2.583 1.579 2.627 1.00 30.31 H new ATOM 0 HD21 LEU A 65 2.543 1.222 5.735 1.00 13.40 H new ATOM 0 HD22 LEU A 65 3.813 2.154 4.908 1.00 13.40 H new ATOM 0 HD23 LEU A 65 2.850 2.912 6.199 1.00 13.40 H new ATOM 1081 N HIS A 66 4.030 6.589 2.662 1.00 13.23 N ATOM 1082 CA HIS A 66 4.124 7.903 1.999 1.00 52.55 C ATOM 1083 C HIS A 66 5.092 7.841 0.785 1.00 3.24 C ATOM 1084 O HIS A 66 4.936 8.609 -0.170 1.00 65.44 O ATOM 1085 CB HIS A 66 4.538 8.996 3.025 1.00 54.41 C ATOM 1086 CG HIS A 66 4.252 10.411 2.596 1.00 44.20 C ATOM 1087 ND1 HIS A 66 5.219 11.297 2.174 1.00 55.22 N ATOM 1088 CD2 HIS A 66 3.081 11.097 2.542 1.00 13.04 C ATOM 1089 CE1 HIS A 66 4.665 12.457 1.884 1.00 63.41 C ATOM 1090 NE2 HIS A 66 3.372 12.359 2.096 1.00 64.24 N ATOM 0 H HIS A 66 4.407 6.589 3.610 1.00 13.23 H new ATOM 0 HA HIS A 66 3.143 8.174 1.609 1.00 52.55 H new ATOM 0 HB2 HIS A 66 4.020 8.805 3.965 1.00 54.41 H new ATOM 0 HB3 HIS A 66 5.605 8.901 3.224 1.00 54.41 H new ATOM 0 HD2 HIS A 66 2.104 10.718 2.802 1.00 13.04 H new ATOM 0 HE1 HIS A 66 5.184 13.336 1.533 1.00 63.41 H new ATOM 0 HE2 HIS A 66 2.692 13.105 1.951 1.00 64.24 H new ATOM 1099 N THR A 67 6.087 6.916 0.827 1.00 5.32 N ATOM 1100 CA THR A 67 7.036 6.731 -0.312 1.00 31.34 C ATOM 1101 C THR A 67 6.353 6.023 -1.502 1.00 2.01 C ATOM 1102 O THR A 67 6.640 6.355 -2.650 1.00 0.30 O ATOM 1103 CB THR A 67 8.342 5.939 0.056 1.00 41.44 C ATOM 1104 OG1 THR A 67 8.042 4.566 0.356 1.00 25.32 O ATOM 1105 CG2 THR A 67 9.082 6.578 1.238 1.00 2.35 C ATOM 0 H THR A 67 6.254 6.296 1.619 1.00 5.32 H new ATOM 0 HA THR A 67 7.333 7.744 -0.585 1.00 31.34 H new ATOM 0 HB THR A 67 8.995 5.980 -0.816 1.00 41.44 H new ATOM 0 HG1 THR A 67 7.401 4.525 1.097 1.00 25.32 H new ATOM 0 HG21 THR A 67 9.979 6.000 1.461 1.00 2.35 H new ATOM 0 HG22 THR A 67 9.362 7.600 0.982 1.00 2.35 H new ATOM 0 HG23 THR A 67 8.431 6.589 2.112 1.00 2.35 H new ATOM 1113 N ILE A 68 5.449 5.045 -1.218 1.00 0.51 N ATOM 1114 CA ILE A 68 4.650 4.356 -2.278 1.00 41.24 C ATOM 1115 C ILE A 68 3.669 5.362 -2.931 1.00 52.24 C ATOM 1116 O ILE A 68 3.442 5.324 -4.145 1.00 51.33 O ATOM 1117 CB ILE A 68 3.849 3.079 -1.767 1.00 65.52 C ATOM 1118 CG1 ILE A 68 4.800 1.950 -1.229 1.00 35.14 C ATOM 1119 CG2 ILE A 68 2.928 2.498 -2.882 1.00 60.21 C ATOM 1120 CD1 ILE A 68 5.432 2.211 0.119 1.00 3.43 C ATOM 0 H ILE A 68 5.254 4.716 -0.272 1.00 0.51 H new ATOM 0 HA ILE A 68 5.372 3.987 -3.007 1.00 41.24 H new ATOM 0 HB ILE A 68 3.231 3.424 -0.938 1.00 65.52 H new ATOM 0 HG12 ILE A 68 4.233 1.021 -1.170 1.00 35.14 H new ATOM 0 HG13 ILE A 68 5.595 1.793 -1.958 1.00 35.14 H new ATOM 0 HG21 ILE A 68 2.397 1.627 -2.498 1.00 60.21 H new ATOM 0 HG22 ILE A 68 2.208 3.256 -3.190 1.00 60.21 H new ATOM 0 HG23 ILE A 68 3.535 2.204 -3.739 1.00 60.21 H new ATOM 0 HD11 ILE A 68 6.067 1.369 0.392 1.00 3.43 H new ATOM 0 HD12 ILE A 68 6.034 3.118 0.069 1.00 3.43 H new ATOM 0 HD13 ILE A 68 4.651 2.335 0.869 1.00 3.43 H new ATOM 1132 N MET A 69 3.112 6.273 -2.099 1.00 3.02 N ATOM 1133 CA MET A 69 2.267 7.399 -2.573 1.00 35.33 C ATOM 1134 C MET A 69 3.009 8.219 -3.653 1.00 4.43 C ATOM 1135 O MET A 69 2.521 8.371 -4.760 1.00 71.11 O ATOM 1136 CB MET A 69 1.883 8.329 -1.394 1.00 61.33 C ATOM 1137 CG MET A 69 1.046 7.660 -0.303 1.00 0.52 C ATOM 1138 SD MET A 69 -0.665 7.370 -0.794 1.00 4.31 S ATOM 1139 CE MET A 69 -1.268 9.047 -0.984 1.00 1.14 C ATOM 0 H MET A 69 3.233 6.251 -1.086 1.00 3.02 H new ATOM 0 HA MET A 69 1.359 6.977 -3.005 1.00 35.33 H new ATOM 0 HB2 MET A 69 2.796 8.720 -0.945 1.00 61.33 H new ATOM 0 HB3 MET A 69 1.330 9.182 -1.787 1.00 61.33 H new ATOM 0 HG2 MET A 69 1.506 6.709 -0.034 1.00 0.52 H new ATOM 0 HG3 MET A 69 1.060 8.285 0.590 1.00 0.52 H new ATOM 0 HE1 MET A 69 -2.099 9.214 -0.299 1.00 1.14 H new ATOM 0 HE2 MET A 69 -0.466 9.750 -0.759 1.00 1.14 H new ATOM 0 HE3 MET A 69 -1.606 9.198 -2.009 1.00 1.14 H new ATOM 1149 N ASN A 70 4.229 8.664 -3.315 1.00 24.33 N ATOM 1150 CA ASN A 70 5.114 9.421 -4.235 1.00 13.23 C ATOM 1151 C ASN A 70 5.463 8.608 -5.504 1.00 42.40 C ATOM 1152 O ASN A 70 5.406 9.119 -6.627 1.00 33.34 O ATOM 1153 CB ASN A 70 6.404 9.800 -3.471 1.00 71.11 C ATOM 1154 CG ASN A 70 7.453 10.503 -4.342 1.00 32.00 C ATOM 1155 OD1 ASN A 70 8.395 9.889 -4.823 1.00 11.14 O ATOM 1156 ND2 ASN A 70 7.269 11.780 -4.596 1.00 44.31 N ATOM 0 H ASN A 70 4.638 8.512 -2.393 1.00 24.33 H new ATOM 0 HA ASN A 70 4.589 10.316 -4.568 1.00 13.23 H new ATOM 0 HB2 ASN A 70 6.143 10.450 -2.636 1.00 71.11 H new ATOM 0 HB3 ASN A 70 6.843 8.897 -3.047 1.00 71.11 H new ATOM 0 HD21 ASN A 70 7.919 12.278 -5.205 1.00 44.31 H new ATOM 0 HD22 ASN A 70 6.477 12.273 -4.184 1.00 44.31 H new ATOM 1163 N LEU A 71 5.796 7.336 -5.274 1.00 34.42 N ATOM 1164 CA LEU A 71 6.296 6.398 -6.295 1.00 74.42 C ATOM 1165 C LEU A 71 5.250 6.226 -7.437 1.00 21.21 C ATOM 1166 O LEU A 71 5.523 6.525 -8.605 1.00 34.51 O ATOM 1167 CB LEU A 71 6.619 5.044 -5.565 1.00 62.51 C ATOM 1168 CG LEU A 71 7.629 4.061 -6.238 1.00 2.03 C ATOM 1169 CD1 LEU A 71 8.086 2.957 -5.246 1.00 22.42 C ATOM 1170 CD2 LEU A 71 7.043 3.427 -7.511 1.00 15.35 C ATOM 0 H LEU A 71 5.725 6.913 -4.348 1.00 34.42 H new ATOM 0 HA LEU A 71 7.201 6.775 -6.772 1.00 74.42 H new ATOM 0 HB2 LEU A 71 7.001 5.284 -4.573 1.00 62.51 H new ATOM 0 HB3 LEU A 71 5.679 4.510 -5.424 1.00 62.51 H new ATOM 0 HG LEU A 71 8.501 4.648 -6.526 1.00 2.03 H new ATOM 0 HD11 LEU A 71 8.788 2.289 -5.744 1.00 22.42 H new ATOM 0 HD12 LEU A 71 8.572 3.419 -4.386 1.00 22.42 H new ATOM 0 HD13 LEU A 71 7.219 2.388 -4.911 1.00 22.42 H new ATOM 0 HD21 LEU A 71 7.775 2.750 -7.950 1.00 15.35 H new ATOM 0 HD22 LEU A 71 6.140 2.871 -7.258 1.00 15.35 H new ATOM 0 HD23 LEU A 71 6.798 4.211 -8.228 1.00 15.35 H new ATOM 1182 N VAL A 72 4.051 5.783 -7.046 1.00 22.21 N ATOM 1183 CA VAL A 72 2.917 5.529 -7.957 1.00 60.41 C ATOM 1184 C VAL A 72 2.302 6.837 -8.539 1.00 65.31 C ATOM 1185 O VAL A 72 1.866 6.862 -9.699 1.00 14.23 O ATOM 1186 CB VAL A 72 1.807 4.692 -7.227 1.00 32.22 C ATOM 1187 CG1 VAL A 72 0.644 4.360 -8.185 1.00 13.33 C ATOM 1188 CG2 VAL A 72 2.402 3.402 -6.597 1.00 62.14 C ATOM 0 H VAL A 72 3.831 5.585 -6.070 1.00 22.21 H new ATOM 0 HA VAL A 72 3.313 4.961 -8.798 1.00 60.41 H new ATOM 0 HB VAL A 72 1.407 5.302 -6.417 1.00 32.22 H new ATOM 0 HG11 VAL A 72 -0.111 3.780 -7.654 1.00 13.33 H new ATOM 0 HG12 VAL A 72 0.199 5.285 -8.551 1.00 13.33 H new ATOM 0 HG13 VAL A 72 1.021 3.780 -9.027 1.00 13.33 H new ATOM 0 HG21 VAL A 72 1.611 2.842 -6.098 1.00 62.14 H new ATOM 0 HG22 VAL A 72 2.845 2.786 -7.380 1.00 62.14 H new ATOM 0 HG23 VAL A 72 3.169 3.672 -5.871 1.00 62.14 H new ATOM 1198 N ASP A 73 2.276 7.920 -7.730 1.00 55.12 N ATOM 1199 CA ASP A 73 1.749 9.244 -8.165 1.00 5.42 C ATOM 1200 C ASP A 73 2.580 9.796 -9.355 1.00 71.32 C ATOM 1201 O ASP A 73 2.041 10.433 -10.264 1.00 23.40 O ATOM 1202 CB ASP A 73 1.757 10.239 -6.974 1.00 72.22 C ATOM 1203 CG ASP A 73 0.925 11.507 -7.214 1.00 53.20 C ATOM 1204 OD1 ASP A 73 -0.295 11.499 -6.940 1.00 70.23 O ATOM 1205 OD2 ASP A 73 1.483 12.523 -7.678 1.00 75.13 O ATOM 0 H ASP A 73 2.614 7.908 -6.768 1.00 55.12 H new ATOM 0 HA ASP A 73 0.720 9.120 -8.502 1.00 5.42 H new ATOM 0 HB2 ASP A 73 1.379 9.731 -6.087 1.00 72.22 H new ATOM 0 HB3 ASP A 73 2.787 10.527 -6.761 1.00 72.22 H new ATOM 1210 N LYS A 74 3.895 9.513 -9.337 1.00 53.43 N ATOM 1211 CA LYS A 74 4.806 9.856 -10.447 1.00 31.32 C ATOM 1212 C LYS A 74 4.589 8.927 -11.672 1.00 3.32 C ATOM 1213 O LYS A 74 4.645 9.389 -12.815 1.00 21.13 O ATOM 1214 CB LYS A 74 6.275 9.793 -9.977 1.00 71.45 C ATOM 1215 CG LYS A 74 6.687 10.921 -9.006 1.00 33.43 C ATOM 1216 CD LYS A 74 8.197 10.909 -8.694 1.00 70.13 C ATOM 1217 CE LYS A 74 8.679 9.570 -8.100 1.00 14.30 C ATOM 1218 NZ LYS A 74 10.136 9.572 -7.832 1.00 31.30 N ATOM 0 H LYS A 74 4.355 9.043 -8.558 1.00 53.43 H new ATOM 0 HA LYS A 74 4.578 10.875 -10.760 1.00 31.32 H new ATOM 0 HB2 LYS A 74 6.447 8.832 -9.491 1.00 71.45 H new ATOM 0 HB3 LYS A 74 6.925 9.829 -10.852 1.00 71.45 H new ATOM 0 HG2 LYS A 74 6.416 11.885 -9.438 1.00 33.43 H new ATOM 0 HG3 LYS A 74 6.126 10.819 -8.077 1.00 33.43 H new ATOM 0 HD2 LYS A 74 8.753 11.116 -9.609 1.00 70.13 H new ATOM 0 HD3 LYS A 74 8.424 11.713 -7.994 1.00 70.13 H new ATOM 0 HE2 LYS A 74 8.141 9.370 -7.174 1.00 14.30 H new ATOM 0 HE3 LYS A 74 8.439 8.761 -8.789 1.00 14.30 H new ATOM 0 HZ1 LYS A 74 10.417 8.653 -7.434 1.00 31.30 H new ATOM 0 HZ2 LYS A 74 10.652 9.737 -8.720 1.00 31.30 H new ATOM 0 HZ3 LYS A 74 10.363 10.327 -7.154 1.00 31.30 H new ATOM 1232 N MET A 75 4.348 7.619 -11.409 1.00 43.02 N ATOM 1233 CA MET A 75 4.053 6.601 -12.464 1.00 43.21 C ATOM 1234 C MET A 75 2.850 7.010 -13.336 1.00 51.32 C ATOM 1235 O MET A 75 2.837 6.759 -14.535 1.00 51.10 O ATOM 1236 CB MET A 75 3.763 5.224 -11.821 1.00 32.14 C ATOM 1237 CG MET A 75 4.971 4.546 -11.189 1.00 42.25 C ATOM 1238 SD MET A 75 4.487 3.021 -10.364 1.00 21.23 S ATOM 1239 CE MET A 75 5.969 2.036 -10.482 1.00 25.31 C ATOM 0 H MET A 75 4.351 7.235 -10.464 1.00 43.02 H new ATOM 0 HA MET A 75 4.936 6.537 -13.100 1.00 43.21 H new ATOM 0 HB2 MET A 75 2.995 5.350 -11.058 1.00 32.14 H new ATOM 0 HB3 MET A 75 3.351 4.563 -12.583 1.00 32.14 H new ATOM 0 HG2 MET A 75 5.715 4.330 -11.956 1.00 42.25 H new ATOM 0 HG3 MET A 75 5.439 5.220 -10.472 1.00 42.25 H new ATOM 0 HE1 MET A 75 5.715 1.038 -10.840 1.00 25.31 H new ATOM 0 HE2 MET A 75 6.664 2.506 -11.179 1.00 25.31 H new ATOM 0 HE3 MET A 75 6.435 1.961 -9.500 1.00 25.31 H new ATOM 1249 N LEU A 76 1.849 7.624 -12.680 1.00 21.40 N ATOM 1250 CA LEU A 76 0.643 8.197 -13.318 1.00 61.32 C ATOM 1251 C LEU A 76 1.036 9.174 -14.459 1.00 34.51 C ATOM 1252 O LEU A 76 0.482 9.127 -15.567 1.00 12.25 O ATOM 1253 CB LEU A 76 -0.175 8.933 -12.206 1.00 63.34 C ATOM 1254 CG LEU A 76 -1.693 9.246 -12.475 1.00 41.02 C ATOM 1255 CD1 LEU A 76 -1.904 10.454 -13.408 1.00 71.21 C ATOM 1256 CD2 LEU A 76 -2.426 7.988 -13.002 1.00 24.34 C ATOM 0 H LEU A 76 1.853 7.740 -11.667 1.00 21.40 H new ATOM 0 HA LEU A 76 0.040 7.409 -13.768 1.00 61.32 H new ATOM 0 HB2 LEU A 76 -0.116 8.332 -11.298 1.00 63.34 H new ATOM 0 HB3 LEU A 76 0.326 9.878 -11.996 1.00 63.34 H new ATOM 0 HG LEU A 76 -2.131 9.527 -11.517 1.00 41.02 H new ATOM 0 HD11 LEU A 76 -2.972 10.619 -13.554 1.00 71.21 H new ATOM 0 HD12 LEU A 76 -1.458 11.342 -12.960 1.00 71.21 H new ATOM 0 HD13 LEU A 76 -1.432 10.257 -14.371 1.00 71.21 H new ATOM 0 HD21 LEU A 76 -3.474 8.226 -13.182 1.00 24.34 H new ATOM 0 HD22 LEU A 76 -1.964 7.661 -13.933 1.00 24.34 H new ATOM 0 HD23 LEU A 76 -2.357 7.190 -12.263 1.00 24.34 H new ATOM 1268 N ASN A 77 1.990 10.064 -14.142 1.00 3.42 N ATOM 1269 CA ASN A 77 2.518 11.074 -15.063 1.00 62.41 C ATOM 1270 C ASN A 77 3.311 10.439 -16.246 1.00 52.10 C ATOM 1271 O ASN A 77 3.879 9.348 -16.121 1.00 33.44 O ATOM 1272 CB ASN A 77 3.446 12.023 -14.263 1.00 23.33 C ATOM 1273 CG ASN A 77 3.653 13.357 -14.957 1.00 64.24 C ATOM 1274 OD1 ASN A 77 4.569 13.546 -15.740 1.00 51.40 O ATOM 1275 ND2 ASN A 77 2.763 14.281 -14.706 1.00 65.20 N ATOM 0 H ASN A 77 2.422 10.099 -13.219 1.00 3.42 H new ATOM 0 HA ASN A 77 1.679 11.618 -15.497 1.00 62.41 H new ATOM 0 HB2 ASN A 77 3.020 12.194 -13.274 1.00 23.33 H new ATOM 0 HB3 ASN A 77 4.412 11.541 -14.115 1.00 23.33 H new ATOM 0 HD21 ASN A 77 2.824 15.187 -15.170 1.00 65.20 H new ATOM 0 HD22 ASN A 77 2.007 14.096 -14.046 1.00 65.20 H new ATOM 1282 N SER A 78 3.386 11.174 -17.372 1.00 52.24 N ATOM 1283 CA SER A 78 4.144 10.751 -18.581 1.00 62.00 C ATOM 1284 C SER A 78 5.682 10.816 -18.365 1.00 54.43 C ATOM 1285 O SER A 78 6.443 10.274 -19.168 1.00 32.22 O ATOM 1286 CB SER A 78 3.736 11.640 -19.787 1.00 54.54 C ATOM 1287 OG SER A 78 4.384 11.253 -20.992 1.00 61.32 O ATOM 0 H SER A 78 2.926 12.078 -17.476 1.00 52.24 H new ATOM 0 HA SER A 78 3.892 9.710 -18.783 1.00 62.00 H new ATOM 0 HB2 SER A 78 2.656 11.586 -19.925 1.00 54.54 H new ATOM 0 HB3 SER A 78 3.977 12.680 -19.566 1.00 54.54 H new ATOM 0 HG SER A 78 5.183 10.726 -20.779 1.00 61.32 H new ATOM 1293 N GLU A 79 6.132 11.448 -17.253 1.00 64.31 N ATOM 1294 CA GLU A 79 7.572 11.681 -16.983 1.00 40.33 C ATOM 1295 C GLU A 79 8.301 10.386 -16.528 1.00 24.43 C ATOM 1296 O GLU A 79 9.536 10.310 -16.576 1.00 61.45 O ATOM 1297 CB GLU A 79 7.737 12.797 -15.910 1.00 42.23 C ATOM 1298 CG GLU A 79 7.367 12.387 -14.470 1.00 10.14 C ATOM 1299 CD GLU A 79 7.661 13.479 -13.434 1.00 65.32 C ATOM 1300 OE1 GLU A 79 8.811 13.555 -12.946 1.00 31.10 O ATOM 1301 OE2 GLU A 79 6.758 14.279 -13.112 1.00 75.30 O ATOM 0 H GLU A 79 5.514 11.807 -16.525 1.00 64.31 H new ATOM 0 HA GLU A 79 8.034 12.000 -17.917 1.00 40.33 H new ATOM 0 HB2 GLU A 79 8.773 13.136 -15.919 1.00 42.23 H new ATOM 0 HB3 GLU A 79 7.120 13.649 -16.198 1.00 42.23 H new ATOM 0 HG2 GLU A 79 6.307 12.136 -14.432 1.00 10.14 H new ATOM 0 HG3 GLU A 79 7.918 11.485 -14.203 1.00 10.14 H new ATOM 1308 N ILE A 80 7.525 9.379 -16.079 1.00 41.04 N ATOM 1309 CA ILE A 80 8.051 8.115 -15.513 1.00 2.03 C ATOM 1310 C ILE A 80 7.668 6.910 -16.392 1.00 73.10 C ATOM 1311 O ILE A 80 6.485 6.693 -16.673 1.00 54.43 O ATOM 1312 CB ILE A 80 7.487 7.894 -14.060 1.00 43.55 C ATOM 1313 CG1 ILE A 80 7.877 9.085 -13.128 1.00 13.35 C ATOM 1314 CG2 ILE A 80 7.926 6.530 -13.450 1.00 2.43 C ATOM 1315 CD1 ILE A 80 9.326 9.129 -12.662 1.00 0.14 C ATOM 0 H ILE A 80 6.506 9.418 -16.098 1.00 41.04 H new ATOM 0 HA ILE A 80 9.138 8.194 -15.479 1.00 2.03 H new ATOM 0 HB ILE A 80 6.400 7.861 -14.140 1.00 43.55 H new ATOM 0 HG12 ILE A 80 7.657 10.015 -13.651 1.00 13.35 H new ATOM 0 HG13 ILE A 80 7.235 9.055 -12.248 1.00 13.35 H new ATOM 0 HG21 ILE A 80 7.510 6.429 -12.448 1.00 2.43 H new ATOM 0 HG22 ILE A 80 7.562 5.717 -14.078 1.00 2.43 H new ATOM 0 HG23 ILE A 80 9.014 6.488 -13.397 1.00 2.43 H new ATOM 0 HD11 ILE A 80 9.476 9.999 -12.022 1.00 0.14 H new ATOM 0 HD12 ILE A 80 9.556 8.222 -12.102 1.00 0.14 H new ATOM 0 HD13 ILE A 80 9.985 9.198 -13.528 1.00 0.14 H new ATOM 1327 N LYS A 81 8.682 6.142 -16.823 1.00 14.31 N ATOM 1328 CA LYS A 81 8.487 4.816 -17.441 1.00 2.12 C ATOM 1329 C LYS A 81 8.453 3.753 -16.326 1.00 50.43 C ATOM 1330 O LYS A 81 9.377 3.672 -15.505 1.00 62.50 O ATOM 1331 CB LYS A 81 9.617 4.502 -18.459 1.00 63.52 C ATOM 1332 CG LYS A 81 9.724 5.510 -19.626 1.00 23.31 C ATOM 1333 CD LYS A 81 10.800 5.119 -20.668 1.00 35.20 C ATOM 1334 CE LYS A 81 10.474 3.804 -21.408 1.00 12.44 C ATOM 1335 NZ LYS A 81 11.500 3.469 -22.425 1.00 30.31 N ATOM 0 H LYS A 81 9.661 6.421 -16.754 1.00 14.31 H new ATOM 0 HA LYS A 81 7.545 4.809 -17.989 1.00 2.12 H new ATOM 0 HB2 LYS A 81 10.569 4.476 -17.929 1.00 63.52 H new ATOM 0 HB3 LYS A 81 9.453 3.506 -18.870 1.00 63.52 H new ATOM 0 HG2 LYS A 81 8.757 5.586 -20.122 1.00 23.31 H new ATOM 0 HG3 LYS A 81 9.956 6.497 -19.226 1.00 23.31 H new ATOM 0 HD2 LYS A 81 10.902 5.924 -21.396 1.00 35.20 H new ATOM 0 HD3 LYS A 81 11.763 5.019 -20.167 1.00 35.20 H new ATOM 0 HE2 LYS A 81 10.400 2.991 -20.686 1.00 12.44 H new ATOM 0 HE3 LYS A 81 9.500 3.891 -21.890 1.00 12.44 H new ATOM 0 HZ1 LYS A 81 11.242 2.579 -22.898 1.00 30.31 H new ATOM 0 HZ2 LYS A 81 11.553 4.233 -23.129 1.00 30.31 H new ATOM 0 HZ3 LYS A 81 12.425 3.360 -21.962 1.00 30.31 H new ATOM 1349 N ILE A 82 7.385 2.946 -16.294 1.00 0.23 N ATOM 1350 CA ILE A 82 7.120 2.015 -15.186 1.00 0.42 C ATOM 1351 C ILE A 82 7.965 0.736 -15.371 1.00 42.55 C ATOM 1352 O ILE A 82 7.584 -0.200 -16.091 1.00 63.32 O ATOM 1353 CB ILE A 82 5.573 1.691 -15.032 1.00 33.01 C ATOM 1354 CG1 ILE A 82 4.727 2.978 -14.706 1.00 25.04 C ATOM 1355 CG2 ILE A 82 5.324 0.618 -13.950 1.00 11.35 C ATOM 1356 CD1 ILE A 82 4.530 3.957 -15.846 1.00 51.02 C ATOM 0 H ILE A 82 6.681 2.919 -17.032 1.00 0.23 H new ATOM 0 HA ILE A 82 7.417 2.495 -14.254 1.00 0.42 H new ATOM 0 HB ILE A 82 5.245 1.303 -15.996 1.00 33.01 H new ATOM 0 HG12 ILE A 82 3.745 2.662 -14.353 1.00 25.04 H new ATOM 0 HG13 ILE A 82 5.208 3.504 -13.882 1.00 25.04 H new ATOM 0 HG21 ILE A 82 4.255 0.421 -13.872 1.00 11.35 H new ATOM 0 HG22 ILE A 82 5.843 -0.301 -14.223 1.00 11.35 H new ATOM 0 HG23 ILE A 82 5.698 0.975 -12.991 1.00 11.35 H new ATOM 0 HD11 ILE A 82 3.933 4.801 -15.501 1.00 51.02 H new ATOM 0 HD12 ILE A 82 5.500 4.315 -16.190 1.00 51.02 H new ATOM 0 HD13 ILE A 82 4.015 3.460 -16.668 1.00 51.02 H new ATOM 1368 N THR A 83 9.157 0.756 -14.749 1.00 10.41 N ATOM 1369 CA THR A 83 10.136 -0.341 -14.821 1.00 0.13 C ATOM 1370 C THR A 83 9.673 -1.546 -13.967 1.00 40.11 C ATOM 1371 O THR A 83 9.282 -1.357 -12.818 1.00 53.40 O ATOM 1372 CB THR A 83 11.552 0.140 -14.333 1.00 63.21 C ATOM 1373 OG1 THR A 83 11.980 1.281 -15.098 1.00 42.13 O ATOM 1374 CG2 THR A 83 12.625 -0.966 -14.434 1.00 14.40 C ATOM 0 H THR A 83 9.470 1.541 -14.178 1.00 10.41 H new ATOM 0 HA THR A 83 10.209 -0.653 -15.863 1.00 0.13 H new ATOM 0 HB THR A 83 11.445 0.405 -13.281 1.00 63.21 H new ATOM 0 HG1 THR A 83 12.861 1.573 -14.785 1.00 42.13 H new ATOM 0 HG21 THR A 83 13.582 -0.578 -14.084 1.00 14.40 H new ATOM 0 HG22 THR A 83 12.331 -1.816 -13.818 1.00 14.40 H new ATOM 0 HG23 THR A 83 12.721 -1.286 -15.471 1.00 14.40 H new ATOM 1382 N SER A 84 9.751 -2.775 -14.528 1.00 44.40 N ATOM 1383 CA SER A 84 9.294 -4.022 -13.844 1.00 21.31 C ATOM 1384 C SER A 84 10.052 -4.290 -12.515 1.00 53.04 C ATOM 1385 O SER A 84 9.471 -4.810 -11.555 1.00 11.10 O ATOM 1386 CB SER A 84 9.412 -5.235 -14.794 1.00 21.11 C ATOM 1387 OG SER A 84 8.641 -5.038 -15.973 1.00 55.31 O ATOM 0 H SER A 84 10.129 -2.937 -15.461 1.00 44.40 H new ATOM 0 HA SER A 84 8.246 -3.874 -13.583 1.00 21.31 H new ATOM 0 HB2 SER A 84 10.457 -5.392 -15.061 1.00 21.11 H new ATOM 0 HB3 SER A 84 9.075 -6.136 -14.282 1.00 21.11 H new ATOM 0 HG SER A 84 8.734 -5.818 -16.559 1.00 55.31 H new ATOM 1393 N ASP A 85 11.348 -3.926 -12.476 1.00 72.51 N ATOM 1394 CA ASP A 85 12.171 -3.984 -11.238 1.00 34.53 C ATOM 1395 C ASP A 85 11.682 -2.979 -10.167 1.00 72.13 C ATOM 1396 O ASP A 85 11.771 -3.242 -8.965 1.00 73.12 O ATOM 1397 CB ASP A 85 13.652 -3.697 -11.568 1.00 2.03 C ATOM 1398 CG ASP A 85 14.286 -4.766 -12.472 1.00 74.34 C ATOM 1399 OD1 ASP A 85 13.962 -4.806 -13.675 1.00 41.44 O ATOM 1400 OD2 ASP A 85 15.095 -5.583 -11.977 1.00 51.30 O ATOM 0 H ASP A 85 11.857 -3.585 -13.291 1.00 72.51 H new ATOM 0 HA ASP A 85 12.067 -4.990 -10.831 1.00 34.53 H new ATOM 0 HB2 ASP A 85 13.728 -2.725 -12.056 1.00 2.03 H new ATOM 0 HB3 ASP A 85 14.219 -3.632 -10.639 1.00 2.03 H new ATOM 1405 N LEU A 86 11.185 -1.817 -10.610 1.00 71.21 N ATOM 1406 CA LEU A 86 10.634 -0.794 -9.696 1.00 50.21 C ATOM 1407 C LEU A 86 9.257 -1.236 -9.145 1.00 14.34 C ATOM 1408 O LEU A 86 8.911 -0.939 -7.996 1.00 10.22 O ATOM 1409 CB LEU A 86 10.513 0.573 -10.408 1.00 33.30 C ATOM 1410 CG LEU A 86 10.071 1.760 -9.495 1.00 74.23 C ATOM 1411 CD1 LEU A 86 11.186 2.161 -8.497 1.00 61.32 C ATOM 1412 CD2 LEU A 86 9.584 2.965 -10.332 1.00 24.54 C ATOM 0 H LEU A 86 11.151 -1.557 -11.596 1.00 71.21 H new ATOM 0 HA LEU A 86 11.324 -0.686 -8.859 1.00 50.21 H new ATOM 0 HB2 LEU A 86 11.476 0.818 -10.855 1.00 33.30 H new ATOM 0 HB3 LEU A 86 9.797 0.477 -11.225 1.00 33.30 H new ATOM 0 HG LEU A 86 9.224 1.417 -8.901 1.00 74.23 H new ATOM 0 HD11 LEU A 86 10.841 2.990 -7.879 1.00 61.32 H new ATOM 0 HD12 LEU A 86 11.427 1.310 -7.860 1.00 61.32 H new ATOM 0 HD13 LEU A 86 12.076 2.465 -9.048 1.00 61.32 H new ATOM 0 HD21 LEU A 86 9.284 3.774 -9.665 1.00 24.54 H new ATOM 0 HD22 LEU A 86 10.391 3.309 -10.979 1.00 24.54 H new ATOM 0 HD23 LEU A 86 8.733 2.664 -10.943 1.00 24.54 H new ATOM 1424 N ILE A 87 8.485 -1.945 -9.987 1.00 31.23 N ATOM 1425 CA ILE A 87 7.224 -2.608 -9.576 1.00 34.52 C ATOM 1426 C ILE A 87 7.521 -3.677 -8.480 1.00 33.42 C ATOM 1427 O ILE A 87 6.709 -3.919 -7.576 1.00 62.11 O ATOM 1428 CB ILE A 87 6.507 -3.292 -10.809 1.00 74.23 C ATOM 1429 CG1 ILE A 87 6.326 -2.292 -11.994 1.00 23.45 C ATOM 1430 CG2 ILE A 87 5.140 -3.892 -10.414 1.00 63.23 C ATOM 1431 CD1 ILE A 87 5.805 -2.920 -13.285 1.00 73.40 C ATOM 0 H ILE A 87 8.713 -2.078 -10.972 1.00 31.23 H new ATOM 0 HA ILE A 87 6.556 -1.846 -9.174 1.00 34.52 H new ATOM 0 HB ILE A 87 7.157 -4.104 -11.136 1.00 74.23 H new ATOM 0 HG12 ILE A 87 5.638 -1.505 -11.685 1.00 23.45 H new ATOM 0 HG13 ILE A 87 7.285 -1.815 -12.199 1.00 23.45 H new ATOM 0 HG21 ILE A 87 4.679 -4.353 -11.288 1.00 63.23 H new ATOM 0 HG22 ILE A 87 5.283 -4.646 -9.640 1.00 63.23 H new ATOM 0 HG23 ILE A 87 4.492 -3.102 -10.036 1.00 63.23 H new ATOM 0 HD11 ILE A 87 5.711 -2.151 -14.052 1.00 73.40 H new ATOM 0 HD12 ILE A 87 6.502 -3.687 -13.624 1.00 73.40 H new ATOM 0 HD13 ILE A 87 4.830 -3.371 -13.102 1.00 73.40 H new ATOM 1443 N ASP A 88 8.729 -4.284 -8.568 1.00 62.02 N ATOM 1444 CA ASP A 88 9.207 -5.289 -7.601 1.00 12.32 C ATOM 1445 C ASP A 88 9.512 -4.633 -6.230 1.00 73.45 C ATOM 1446 O ASP A 88 9.348 -5.272 -5.179 1.00 32.23 O ATOM 1447 CB ASP A 88 10.466 -5.986 -8.161 1.00 13.11 C ATOM 1448 CG ASP A 88 10.922 -7.189 -7.320 1.00 3.25 C ATOM 1449 OD1 ASP A 88 10.197 -8.200 -7.275 1.00 13.21 O ATOM 1450 OD2 ASP A 88 11.990 -7.119 -6.677 1.00 42.51 O ATOM 0 H ASP A 88 9.396 -4.087 -9.314 1.00 62.02 H new ATOM 0 HA ASP A 88 8.425 -6.032 -7.448 1.00 12.32 H new ATOM 0 HB2 ASP A 88 10.265 -6.319 -9.179 1.00 13.11 H new ATOM 0 HB3 ASP A 88 11.279 -5.262 -8.217 1.00 13.11 H new ATOM 1455 N LYS A 89 9.945 -3.344 -6.255 1.00 53.13 N ATOM 1456 CA LYS A 89 10.145 -2.554 -5.022 1.00 4.30 C ATOM 1457 C LYS A 89 8.801 -2.350 -4.293 1.00 30.54 C ATOM 1458 O LYS A 89 8.720 -2.549 -3.082 1.00 30.40 O ATOM 1459 CB LYS A 89 10.808 -1.182 -5.326 1.00 20.11 C ATOM 1460 CG LYS A 89 12.328 -1.255 -5.577 1.00 14.11 C ATOM 1461 CD LYS A 89 12.965 0.143 -5.771 1.00 10.53 C ATOM 1462 CE LYS A 89 14.501 0.106 -5.758 1.00 21.21 C ATOM 1463 NZ LYS A 89 15.056 -0.777 -6.810 1.00 11.33 N ATOM 0 H LYS A 89 10.160 -2.837 -7.114 1.00 53.13 H new ATOM 0 HA LYS A 89 10.820 -3.113 -4.374 1.00 4.30 H new ATOM 0 HB2 LYS A 89 10.327 -0.745 -6.201 1.00 20.11 H new ATOM 0 HB3 LYS A 89 10.621 -0.508 -4.490 1.00 20.11 H new ATOM 0 HG2 LYS A 89 12.808 -1.756 -4.736 1.00 14.11 H new ATOM 0 HG3 LYS A 89 12.518 -1.863 -6.461 1.00 14.11 H new ATOM 0 HD2 LYS A 89 12.625 0.564 -6.717 1.00 10.53 H new ATOM 0 HD3 LYS A 89 12.616 0.809 -4.982 1.00 10.53 H new ATOM 0 HE2 LYS A 89 14.887 1.116 -5.895 1.00 21.21 H new ATOM 0 HE3 LYS A 89 14.845 -0.237 -4.782 1.00 21.21 H new ATOM 0 HZ1 LYS A 89 16.095 -0.741 -6.781 1.00 11.33 H new ATOM 0 HZ2 LYS A 89 14.739 -1.754 -6.646 1.00 11.33 H new ATOM 0 HZ3 LYS A 89 14.725 -0.457 -7.742 1.00 11.33 H new ATOM 1477 N VAL A 90 7.753 -1.991 -5.071 1.00 64.34 N ATOM 1478 CA VAL A 90 6.377 -1.772 -4.548 1.00 61.03 C ATOM 1479 C VAL A 90 5.823 -3.062 -3.869 1.00 53.14 C ATOM 1480 O VAL A 90 5.145 -2.988 -2.831 1.00 41.31 O ATOM 1481 CB VAL A 90 5.380 -1.298 -5.685 1.00 53.04 C ATOM 1482 CG1 VAL A 90 4.015 -0.844 -5.095 1.00 12.42 C ATOM 1483 CG2 VAL A 90 6.006 -0.181 -6.557 1.00 61.51 C ATOM 0 H VAL A 90 7.834 -1.844 -6.077 1.00 64.34 H new ATOM 0 HA VAL A 90 6.447 -0.979 -3.804 1.00 61.03 H new ATOM 0 HB VAL A 90 5.193 -2.158 -6.328 1.00 53.04 H new ATOM 0 HG11 VAL A 90 3.357 -0.526 -5.904 1.00 12.42 H new ATOM 0 HG12 VAL A 90 3.556 -1.675 -4.559 1.00 12.42 H new ATOM 0 HG13 VAL A 90 4.174 -0.013 -4.408 1.00 12.42 H new ATOM 0 HG21 VAL A 90 5.296 0.121 -7.327 1.00 61.51 H new ATOM 0 HG22 VAL A 90 6.248 0.677 -5.930 1.00 61.51 H new ATOM 0 HG23 VAL A 90 6.915 -0.554 -7.028 1.00 61.51 H new ATOM 1493 N LYS A 91 6.143 -4.243 -4.467 1.00 41.35 N ATOM 1494 CA LYS A 91 5.816 -5.568 -3.869 1.00 3.23 C ATOM 1495 C LYS A 91 6.464 -5.745 -2.477 1.00 25.43 C ATOM 1496 O LYS A 91 5.788 -6.124 -1.525 1.00 0.20 O ATOM 1497 CB LYS A 91 6.249 -6.758 -4.784 1.00 73.03 C ATOM 1498 CG LYS A 91 5.455 -6.896 -6.104 1.00 75.05 C ATOM 1499 CD LYS A 91 5.369 -8.354 -6.628 1.00 64.30 C ATOM 1500 CE LYS A 91 6.743 -9.001 -6.873 1.00 70.34 C ATOM 1501 NZ LYS A 91 7.496 -8.308 -7.938 1.00 60.42 N ATOM 0 H LYS A 91 6.627 -4.304 -5.363 1.00 41.35 H new ATOM 0 HA LYS A 91 4.731 -5.583 -3.767 1.00 3.23 H new ATOM 0 HB2 LYS A 91 7.306 -6.645 -5.025 1.00 73.03 H new ATOM 0 HB3 LYS A 91 6.148 -7.685 -4.219 1.00 73.03 H new ATOM 0 HG2 LYS A 91 4.446 -6.513 -5.953 1.00 75.05 H new ATOM 0 HG3 LYS A 91 5.922 -6.272 -6.866 1.00 75.05 H new ATOM 0 HD2 LYS A 91 4.815 -8.958 -5.909 1.00 64.30 H new ATOM 0 HD3 LYS A 91 4.801 -8.364 -7.558 1.00 64.30 H new ATOM 0 HE2 LYS A 91 7.322 -8.985 -5.950 1.00 70.34 H new ATOM 0 HE3 LYS A 91 6.608 -10.048 -7.146 1.00 70.34 H new ATOM 0 HZ1 LYS A 91 7.508 -8.898 -8.795 1.00 60.42 H new ATOM 0 HZ2 LYS A 91 7.039 -7.398 -8.150 1.00 60.42 H new ATOM 0 HZ3 LYS A 91 8.472 -8.139 -7.620 1.00 60.42 H new ATOM 1515 N LYS A 92 7.775 -5.452 -2.383 1.00 62.34 N ATOM 1516 CA LYS A 92 8.561 -5.643 -1.145 1.00 31.53 C ATOM 1517 C LYS A 92 8.164 -4.645 -0.023 1.00 33.01 C ATOM 1518 O LYS A 92 8.245 -4.967 1.169 1.00 42.31 O ATOM 1519 CB LYS A 92 10.068 -5.569 -1.466 1.00 12.41 C ATOM 1520 CG LYS A 92 11.001 -5.798 -0.252 1.00 71.03 C ATOM 1521 CD LYS A 92 10.840 -7.185 0.449 1.00 62.12 C ATOM 1522 CE LYS A 92 11.264 -8.399 -0.415 1.00 51.34 C ATOM 1523 NZ LYS A 92 10.278 -8.733 -1.480 1.00 71.12 N ATOM 0 H LYS A 92 8.320 -5.077 -3.160 1.00 62.34 H new ATOM 0 HA LYS A 92 8.331 -6.634 -0.754 1.00 31.53 H new ATOM 0 HB2 LYS A 92 10.300 -6.311 -2.230 1.00 12.41 H new ATOM 0 HB3 LYS A 92 10.286 -4.591 -1.895 1.00 12.41 H new ATOM 0 HG2 LYS A 92 12.035 -5.692 -0.581 1.00 71.03 H new ATOM 0 HG3 LYS A 92 10.818 -5.013 0.482 1.00 71.03 H new ATOM 0 HD2 LYS A 92 11.430 -7.185 1.365 1.00 62.12 H new ATOM 0 HD3 LYS A 92 9.797 -7.311 0.741 1.00 62.12 H new ATOM 0 HE2 LYS A 92 12.230 -8.190 -0.875 1.00 51.34 H new ATOM 0 HE3 LYS A 92 11.400 -9.267 0.231 1.00 51.34 H new ATOM 0 HZ1 LYS A 92 10.236 -9.765 -1.603 1.00 71.12 H new ATOM 0 HZ2 LYS A 92 9.339 -8.378 -1.207 1.00 71.12 H new ATOM 0 HZ3 LYS A 92 10.569 -8.289 -2.374 1.00 71.12 H new ATOM 1537 N LYS A 93 7.745 -3.436 -0.422 1.00 64.12 N ATOM 1538 CA LYS A 93 7.163 -2.435 0.506 1.00 12.23 C ATOM 1539 C LYS A 93 5.880 -2.990 1.171 1.00 14.31 C ATOM 1540 O LYS A 93 5.707 -2.887 2.387 1.00 54.43 O ATOM 1541 CB LYS A 93 6.833 -1.122 -0.244 1.00 24.11 C ATOM 1542 CG LYS A 93 8.045 -0.395 -0.874 1.00 54.42 C ATOM 1543 CD LYS A 93 9.126 0.014 0.154 1.00 53.51 C ATOM 1544 CE LYS A 93 10.296 0.776 -0.496 1.00 64.32 C ATOM 1545 NZ LYS A 93 11.373 1.064 0.478 1.00 70.34 N ATOM 0 H LYS A 93 7.796 -3.118 -1.390 1.00 64.12 H new ATOM 0 HA LYS A 93 7.902 -2.225 1.279 1.00 12.23 H new ATOM 0 HB2 LYS A 93 6.114 -1.345 -1.033 1.00 24.11 H new ATOM 0 HB3 LYS A 93 6.343 -0.440 0.451 1.00 24.11 H new ATOM 0 HG2 LYS A 93 8.497 -1.043 -1.625 1.00 54.42 H new ATOM 0 HG3 LYS A 93 7.693 0.497 -1.393 1.00 54.42 H new ATOM 0 HD2 LYS A 93 8.673 0.638 0.925 1.00 53.51 H new ATOM 0 HD3 LYS A 93 9.508 -0.878 0.650 1.00 53.51 H new ATOM 0 HE2 LYS A 93 10.699 0.188 -1.321 1.00 64.32 H new ATOM 0 HE3 LYS A 93 9.930 1.711 -0.920 1.00 64.32 H new ATOM 0 HZ1 LYS A 93 12.142 1.578 0.003 1.00 70.34 H new ATOM 0 HZ2 LYS A 93 10.994 1.646 1.252 1.00 70.34 H new ATOM 0 HZ3 LYS A 93 11.740 0.171 0.864 1.00 70.34 H new ATOM 1559 N LEU A 94 5.003 -3.596 0.341 1.00 23.23 N ATOM 1560 CA LEU A 94 3.745 -4.234 0.797 1.00 1.01 C ATOM 1561 C LEU A 94 4.050 -5.514 1.638 1.00 31.41 C ATOM 1562 O LEU A 94 3.327 -5.817 2.595 1.00 2.42 O ATOM 1563 CB LEU A 94 2.838 -4.517 -0.455 1.00 43.24 C ATOM 1564 CG LEU A 94 1.353 -5.003 -0.233 1.00 44.14 C ATOM 1565 CD1 LEU A 94 1.262 -6.503 0.113 1.00 21.12 C ATOM 1566 CD2 LEU A 94 0.624 -4.136 0.822 1.00 24.21 C ATOM 0 H LEU A 94 5.147 -3.657 -0.667 1.00 23.23 H new ATOM 0 HA LEU A 94 3.197 -3.566 1.461 1.00 1.01 H new ATOM 0 HB2 LEU A 94 2.799 -3.602 -1.046 1.00 43.24 H new ATOM 0 HB3 LEU A 94 3.342 -5.268 -1.063 1.00 43.24 H new ATOM 0 HG LEU A 94 0.841 -4.873 -1.186 1.00 44.14 H new ATOM 0 HD11 LEU A 94 0.218 -6.781 0.255 1.00 21.12 H new ATOM 0 HD12 LEU A 94 1.687 -7.091 -0.701 1.00 21.12 H new ATOM 0 HD13 LEU A 94 1.817 -6.699 1.030 1.00 21.12 H new ATOM 0 HD21 LEU A 94 -0.396 -4.499 0.949 1.00 24.21 H new ATOM 0 HD22 LEU A 94 1.153 -4.199 1.773 1.00 24.21 H new ATOM 0 HD23 LEU A 94 0.601 -3.099 0.488 1.00 24.21 H new ATOM 1578 N ASP A 95 5.132 -6.243 1.274 1.00 2.04 N ATOM 1579 CA ASP A 95 5.655 -7.396 2.061 1.00 13.43 C ATOM 1580 C ASP A 95 6.030 -6.967 3.492 1.00 11.22 C ATOM 1581 O ASP A 95 5.768 -7.681 4.460 1.00 73.13 O ATOM 1582 CB ASP A 95 6.908 -8.013 1.373 1.00 14.14 C ATOM 1583 CG ASP A 95 6.587 -8.842 0.123 1.00 45.44 C ATOM 1584 OD1 ASP A 95 5.587 -9.586 0.140 1.00 63.31 O ATOM 1585 OD2 ASP A 95 7.348 -8.779 -0.868 1.00 11.11 O ATOM 0 H ASP A 95 5.669 -6.052 0.428 1.00 2.04 H new ATOM 0 HA ASP A 95 4.862 -8.142 2.107 1.00 13.43 H new ATOM 0 HB2 ASP A 95 7.592 -7.210 1.098 1.00 14.14 H new ATOM 0 HB3 ASP A 95 7.430 -8.645 2.091 1.00 14.14 H new ATOM 1590 N MET A 96 6.654 -5.787 3.586 1.00 32.32 N ATOM 1591 CA MET A 96 7.054 -5.165 4.861 1.00 34.23 C ATOM 1592 C MET A 96 5.820 -4.715 5.696 1.00 51.21 C ATOM 1593 O MET A 96 5.832 -4.827 6.926 1.00 22.43 O ATOM 1594 CB MET A 96 8.020 -3.989 4.552 1.00 42.23 C ATOM 1595 CG MET A 96 8.325 -3.030 5.716 1.00 0.55 C ATOM 1596 SD MET A 96 9.760 -1.976 5.392 1.00 43.53 S ATOM 1597 CE MET A 96 9.385 -1.295 3.771 1.00 72.41 C ATOM 0 H MET A 96 6.900 -5.227 2.770 1.00 32.32 H new ATOM 0 HA MET A 96 7.573 -5.897 5.480 1.00 34.23 H new ATOM 0 HB2 MET A 96 8.963 -4.406 4.197 1.00 42.23 H new ATOM 0 HB3 MET A 96 7.599 -3.408 3.732 1.00 42.23 H new ATOM 0 HG2 MET A 96 7.453 -2.403 5.903 1.00 0.55 H new ATOM 0 HG3 MET A 96 8.502 -3.609 6.622 1.00 0.55 H new ATOM 0 HE1 MET A 96 10.060 -0.466 3.560 1.00 72.41 H new ATOM 0 HE2 MET A 96 9.511 -2.068 3.013 1.00 72.41 H new ATOM 0 HE3 MET A 96 8.356 -0.937 3.756 1.00 72.41 H new ATOM 1607 N VAL A 97 4.760 -4.220 5.014 1.00 20.11 N ATOM 1608 CA VAL A 97 3.449 -3.900 5.662 1.00 14.21 C ATOM 1609 C VAL A 97 2.792 -5.188 6.246 1.00 74.54 C ATOM 1610 O VAL A 97 2.206 -5.176 7.336 1.00 24.41 O ATOM 1611 CB VAL A 97 2.453 -3.207 4.641 1.00 32.44 C ATOM 1612 CG1 VAL A 97 1.085 -2.870 5.302 1.00 52.24 C ATOM 1613 CG2 VAL A 97 3.087 -1.939 4.012 1.00 74.31 C ATOM 0 H VAL A 97 4.780 -4.030 4.012 1.00 20.11 H new ATOM 0 HA VAL A 97 3.650 -3.202 6.475 1.00 14.21 H new ATOM 0 HB VAL A 97 2.263 -3.925 3.843 1.00 32.44 H new ATOM 0 HG11 VAL A 97 0.433 -2.397 4.568 1.00 52.24 H new ATOM 0 HG12 VAL A 97 0.620 -3.787 5.663 1.00 52.24 H new ATOM 0 HG13 VAL A 97 1.243 -2.190 6.139 1.00 52.24 H new ATOM 0 HG21 VAL A 97 2.381 -1.486 3.316 1.00 74.31 H new ATOM 0 HG22 VAL A 97 3.330 -1.225 4.799 1.00 74.31 H new ATOM 0 HG23 VAL A 97 3.997 -2.214 3.478 1.00 74.31 H new ATOM 1623 N THR A 98 2.939 -6.300 5.503 1.00 54.44 N ATOM 1624 CA THR A 98 2.412 -7.630 5.896 1.00 23.41 C ATOM 1625 C THR A 98 3.230 -8.229 7.074 1.00 31.01 C ATOM 1626 O THR A 98 2.674 -8.846 7.986 1.00 53.42 O ATOM 1627 CB THR A 98 2.439 -8.620 4.674 1.00 2.02 C ATOM 1628 OG1 THR A 98 1.771 -8.024 3.546 1.00 65.41 O ATOM 1629 CG2 THR A 98 1.770 -9.975 4.995 1.00 31.12 C ATOM 0 H THR A 98 3.428 -6.307 4.608 1.00 54.44 H new ATOM 0 HA THR A 98 1.381 -7.494 6.222 1.00 23.41 H new ATOM 0 HB THR A 98 3.487 -8.811 4.443 1.00 2.02 H new ATOM 0 HG1 THR A 98 2.298 -7.266 3.217 1.00 65.41 H new ATOM 0 HG21 THR A 98 1.816 -10.620 4.118 1.00 31.12 H new ATOM 0 HG22 THR A 98 2.293 -10.452 5.824 1.00 31.12 H new ATOM 0 HG23 THR A 98 0.728 -9.810 5.270 1.00 31.12 H new ATOM 1637 N ARG A 99 4.563 -8.029 7.036 1.00 21.44 N ATOM 1638 CA ARG A 99 5.495 -8.512 8.084 1.00 24.25 C ATOM 1639 C ARG A 99 5.336 -7.677 9.387 1.00 12.43 C ATOM 1640 O ARG A 99 5.582 -8.179 10.487 1.00 12.41 O ATOM 1641 CB ARG A 99 6.968 -8.508 7.546 1.00 25.22 C ATOM 1642 CG ARG A 99 7.922 -9.564 8.191 1.00 14.40 C ATOM 1643 CD ARG A 99 8.369 -9.210 9.619 1.00 62.04 C ATOM 1644 NE ARG A 99 9.144 -10.270 10.272 1.00 21.42 N ATOM 1645 CZ ARG A 99 9.576 -10.228 11.516 1.00 21.02 C ATOM 1646 NH1 ARG A 99 9.337 -9.201 12.281 1.00 23.15 N ATOM 1647 NH2 ARG A 99 10.250 -11.216 11.984 1.00 2.32 N ATOM 0 H ARG A 99 5.027 -7.528 6.279 1.00 21.44 H new ATOM 0 HA ARG A 99 5.246 -9.543 8.337 1.00 24.25 H new ATOM 0 HB2 ARG A 99 6.944 -8.676 6.469 1.00 25.22 H new ATOM 0 HB3 ARG A 99 7.392 -7.516 7.705 1.00 25.22 H new ATOM 0 HG2 ARG A 99 7.419 -10.531 8.207 1.00 14.40 H new ATOM 0 HG3 ARG A 99 8.805 -9.674 7.561 1.00 14.40 H new ATOM 0 HD2 ARG A 99 8.968 -8.300 9.588 1.00 62.04 H new ATOM 0 HD3 ARG A 99 7.488 -8.991 10.223 1.00 62.04 H new ATOM 0 HE ARG A 99 9.365 -11.101 9.723 1.00 21.42 H new ATOM 0 HH11 ARG A 99 8.806 -8.409 11.920 1.00 23.15 H new ATOM 0 HH12 ARG A 99 9.681 -9.189 13.241 1.00 23.15 H new ATOM 0 HH21 ARG A 99 10.447 -12.024 11.394 1.00 2.32 H new ATOM 0 HH22 ARG A 99 10.589 -11.192 12.946 1.00 2.32 H new ATOM 1661 N GLU A 100 4.915 -6.404 9.254 1.00 41.43 N ATOM 1662 CA GLU A 100 4.597 -5.529 10.416 1.00 52.40 C ATOM 1663 C GLU A 100 3.501 -6.201 11.296 1.00 42.22 C ATOM 1664 O GLU A 100 3.588 -6.216 12.532 1.00 22.04 O ATOM 1665 CB GLU A 100 4.123 -4.112 9.923 1.00 61.31 C ATOM 1666 CG GLU A 100 4.596 -2.907 10.780 1.00 32.21 C ATOM 1667 CD GLU A 100 4.277 -3.020 12.287 1.00 13.34 C ATOM 1668 OE1 GLU A 100 3.133 -2.720 12.688 1.00 14.35 O ATOM 1669 OE2 GLU A 100 5.179 -3.401 13.080 1.00 42.30 O ATOM 0 H GLU A 100 4.784 -5.950 8.350 1.00 41.43 H new ATOM 0 HA GLU A 100 5.496 -5.394 11.017 1.00 52.40 H new ATOM 0 HB2 GLU A 100 4.474 -3.967 8.901 1.00 61.31 H new ATOM 0 HB3 GLU A 100 3.034 -4.105 9.890 1.00 61.31 H new ATOM 0 HG2 GLU A 100 5.673 -2.793 10.658 1.00 32.21 H new ATOM 0 HG3 GLU A 100 4.134 -1.999 10.392 1.00 32.21 H new