USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=28 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 47 HIS :FLIP no HD1:sc= -0.0841 F(o=-1.8,f=-0.62) USER MOD Set 1.2: A 69 MET CE :methyl 138:sc= -0.534 (180deg=-1.35!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -0.158 F(o=-0.3,f=0.64) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -135:sc= 0.796 (180deg=-0.373) USER MOD Set 3.1: A 12 THR OG1 : rot 75:sc= 0.748 USER MOD Set 3.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0.356 (180deg=-0.226) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 23 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.5) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -0.0251 (180deg=-1.11!) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -1.09 (180deg=-2.07!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 36 MET CE :methyl -137:sc= -1.94 (180deg=-3.94!) USER MOD Single : A 38 TYR OH : rot -98:sc= 0.414 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 177:sc= -0.659 (180deg=-0.746) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.511 (180deg=0.416) USER MOD Single : A 53 THR OG1 : rot -84:sc= -3.18! USER MOD Single : A 55 THR OG1 : rot 79:sc= 1.18 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+ 173:sc= 0 (180deg=-0.0418) USER MOD Single : A 66 HIS : no HD1:sc=-0.00077 X(o=-0.00077,f=0) USER MOD Single : A 67 THR OG1 : rot -55:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 160:sc= -1.75! (180deg=-2.3) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.841 F(o=-3!,f=-0.84) USER MOD Single : A 78 SER OG : rot 180:sc= 0 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+ 167:sc=-0.00686 (180deg=-0.145) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= -0.146 (180deg=-0.154) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.394 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -11.769 -1.419 16.395 1.00 61.20 N ATOM 110 CA ILE A 8 -10.331 -1.245 16.083 1.00 32.32 C ATOM 111 C ILE A 8 -9.756 -2.492 15.358 1.00 24.22 C ATOM 112 O ILE A 8 -9.051 -2.366 14.350 1.00 33.02 O ATOM 113 CB ILE A 8 -9.509 -0.940 17.392 1.00 25.24 C ATOM 114 CG1 ILE A 8 -10.063 0.343 18.108 1.00 42.43 C ATOM 115 CG2 ILE A 8 -7.989 -0.810 17.104 1.00 62.04 C ATOM 116 CD1 ILE A 8 -10.044 1.615 17.270 1.00 11.34 C ATOM 0 HA ILE A 8 -10.239 -0.393 15.410 1.00 32.32 H new ATOM 0 HB ILE A 8 -9.634 -1.789 18.064 1.00 25.24 H new ATOM 0 HG12 ILE A 8 -11.089 0.150 18.422 1.00 42.43 H new ATOM 0 HG13 ILE A 8 -9.480 0.515 19.013 1.00 42.43 H new ATOM 0 HG21 ILE A 8 -7.459 -0.600 18.033 1.00 62.04 H new ATOM 0 HG22 ILE A 8 -7.618 -1.742 16.678 1.00 62.04 H new ATOM 0 HG23 ILE A 8 -7.821 0.003 16.398 1.00 62.04 H new ATOM 0 HD11 ILE A 8 -10.446 2.442 17.855 1.00 11.34 H new ATOM 0 HD12 ILE A 8 -9.019 1.843 16.977 1.00 11.34 H new ATOM 0 HD13 ILE A 8 -10.653 1.472 16.377 1.00 11.34 H new ATOM 128 N LYS A 9 -10.092 -3.688 15.871 1.00 24.32 N ATOM 129 CA LYS A 9 -9.718 -4.981 15.247 1.00 21.11 C ATOM 130 C LYS A 9 -10.362 -5.150 13.846 1.00 11.30 C ATOM 131 O LYS A 9 -9.787 -5.808 12.976 1.00 30.05 O ATOM 132 CB LYS A 9 -10.132 -6.159 16.165 1.00 74.51 C ATOM 133 CG LYS A 9 -9.321 -6.278 17.478 1.00 4.41 C ATOM 134 CD LYS A 9 -9.949 -7.278 18.480 1.00 62.13 C ATOM 135 CE LYS A 9 -10.077 -8.712 17.917 1.00 32.10 C ATOM 136 NZ LYS A 9 -10.694 -9.642 18.897 1.00 22.23 N ATOM 0 H LYS A 9 -10.631 -3.792 16.731 1.00 24.32 H new ATOM 0 HA LYS A 9 -8.635 -4.984 15.120 1.00 21.11 H new ATOM 0 HB2 LYS A 9 -11.187 -6.052 16.415 1.00 74.51 H new ATOM 0 HB3 LYS A 9 -10.030 -7.089 15.606 1.00 74.51 H new ATOM 0 HG2 LYS A 9 -8.304 -6.594 17.245 1.00 4.41 H new ATOM 0 HG3 LYS A 9 -9.250 -5.296 17.947 1.00 4.41 H new ATOM 0 HD2 LYS A 9 -9.342 -7.304 19.385 1.00 62.13 H new ATOM 0 HD3 LYS A 9 -10.937 -6.919 18.769 1.00 62.13 H new ATOM 0 HE2 LYS A 9 -10.678 -8.692 17.008 1.00 32.10 H new ATOM 0 HE3 LYS A 9 -9.090 -9.081 17.638 1.00 32.10 H new ATOM 0 HZ1 LYS A 9 -10.761 -10.592 18.479 1.00 22.23 H new ATOM 0 HZ2 LYS A 9 -10.107 -9.682 19.755 1.00 22.23 H new ATOM 0 HZ3 LYS A 9 -11.646 -9.304 19.144 1.00 22.23 H new ATOM 150 N LYS A 10 -11.565 -4.562 13.651 1.00 44.13 N ATOM 151 CA LYS A 10 -12.246 -4.541 12.335 1.00 62.35 C ATOM 152 C LYS A 10 -11.447 -3.705 11.310 1.00 55.01 C ATOM 153 O LYS A 10 -11.173 -4.186 10.222 1.00 64.41 O ATOM 154 CB LYS A 10 -13.687 -3.986 12.458 1.00 51.30 C ATOM 155 CG LYS A 10 -14.655 -4.877 13.269 1.00 41.11 C ATOM 156 CD LYS A 10 -16.050 -4.231 13.477 1.00 40.22 C ATOM 157 CE LYS A 10 -16.742 -3.858 12.151 1.00 52.31 C ATOM 158 NZ LYS A 10 -16.947 -5.032 11.269 1.00 43.20 N ATOM 0 H LYS A 10 -12.086 -4.094 14.392 1.00 44.13 H new ATOM 0 HA LYS A 10 -12.300 -5.571 11.981 1.00 62.35 H new ATOM 0 HB2 LYS A 10 -13.644 -3.002 12.924 1.00 51.30 H new ATOM 0 HB3 LYS A 10 -14.095 -3.847 11.457 1.00 51.30 H new ATOM 0 HG2 LYS A 10 -14.776 -5.831 12.756 1.00 41.11 H new ATOM 0 HG3 LYS A 10 -14.212 -5.092 14.242 1.00 41.11 H new ATOM 0 HD2 LYS A 10 -16.686 -4.922 14.031 1.00 40.22 H new ATOM 0 HD3 LYS A 10 -15.943 -3.336 14.089 1.00 40.22 H new ATOM 0 HE2 LYS A 10 -17.706 -3.396 12.365 1.00 52.31 H new ATOM 0 HE3 LYS A 10 -16.141 -3.115 11.627 1.00 52.31 H new ATOM 0 HZ1 LYS A 10 -17.415 -4.729 10.391 1.00 43.20 H new ATOM 0 HZ2 LYS A 10 -16.027 -5.460 11.041 1.00 43.20 H new ATOM 0 HZ3 LYS A 10 -17.543 -5.732 11.755 1.00 43.20 H new ATOM 172 N VAL A 11 -11.066 -2.461 11.684 1.00 63.33 N ATOM 173 CA VAL A 11 -10.254 -1.559 10.812 1.00 32.01 C ATOM 174 C VAL A 11 -8.877 -2.195 10.475 1.00 31.42 C ATOM 175 O VAL A 11 -8.384 -2.101 9.339 1.00 12.42 O ATOM 176 CB VAL A 11 -10.049 -0.144 11.481 1.00 13.14 C ATOM 177 CG1 VAL A 11 -9.191 0.802 10.590 1.00 2.44 C ATOM 178 CG2 VAL A 11 -11.415 0.511 11.826 1.00 73.40 C ATOM 0 H VAL A 11 -11.306 -2.051 12.587 1.00 63.33 H new ATOM 0 HA VAL A 11 -10.809 -1.422 9.884 1.00 32.01 H new ATOM 0 HB VAL A 11 -9.500 -0.303 12.409 1.00 13.14 H new ATOM 0 HG11 VAL A 11 -9.075 1.765 11.088 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -8.209 0.357 10.427 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -9.687 0.948 9.631 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -11.246 1.485 12.286 1.00 73.40 H new ATOM 0 HG22 VAL A 11 -11.999 0.637 10.914 1.00 73.40 H new ATOM 0 HG23 VAL A 11 -11.960 -0.128 12.521 1.00 73.40 H new ATOM 188 N THR A 12 -8.293 -2.864 11.483 1.00 1.21 N ATOM 189 CA THR A 12 -7.037 -3.631 11.340 1.00 43.23 C ATOM 190 C THR A 12 -7.213 -4.809 10.348 1.00 70.51 C ATOM 191 O THR A 12 -6.313 -5.105 9.569 1.00 50.44 O ATOM 192 CB THR A 12 -6.545 -4.180 12.731 1.00 14.23 C ATOM 193 OG1 THR A 12 -6.338 -3.085 13.643 1.00 53.10 O ATOM 194 CG2 THR A 12 -5.239 -5.000 12.627 1.00 23.23 C ATOM 0 H THR A 12 -8.679 -2.890 12.427 1.00 1.21 H new ATOM 0 HA THR A 12 -6.284 -2.948 10.946 1.00 43.23 H new ATOM 0 HB THR A 12 -7.325 -4.847 13.097 1.00 14.23 H new ATOM 0 HG1 THR A 12 -7.205 -2.751 13.955 1.00 53.10 H new ATOM 0 HG21 THR A 12 -4.950 -5.351 13.618 1.00 23.23 H new ATOM 0 HG22 THR A 12 -5.398 -5.855 11.970 1.00 23.23 H new ATOM 0 HG23 THR A 12 -4.447 -4.372 12.220 1.00 23.23 H new ATOM 202 N ASP A 13 -8.384 -5.476 10.388 1.00 41.55 N ATOM 203 CA ASP A 13 -8.691 -6.625 9.501 1.00 44.21 C ATOM 204 C ASP A 13 -9.062 -6.161 8.056 1.00 2.40 C ATOM 205 O ASP A 13 -8.801 -6.869 7.075 1.00 71.25 O ATOM 206 CB ASP A 13 -9.799 -7.511 10.130 1.00 71.52 C ATOM 207 CG ASP A 13 -9.707 -8.968 9.657 1.00 65.14 C ATOM 208 OD1 ASP A 13 -8.676 -9.621 9.948 1.00 32.42 O ATOM 209 OD2 ASP A 13 -10.644 -9.475 9.010 1.00 61.44 O ATOM 0 H ASP A 13 -9.141 -5.239 11.030 1.00 41.55 H new ATOM 0 HA ASP A 13 -7.790 -7.231 9.406 1.00 44.21 H new ATOM 0 HB2 ASP A 13 -9.718 -7.477 11.216 1.00 71.52 H new ATOM 0 HB3 ASP A 13 -10.777 -7.107 9.871 1.00 71.52 H new ATOM 214 N GLU A 14 -9.662 -4.957 7.947 1.00 22.12 N ATOM 215 CA GLU A 14 -9.953 -4.279 6.649 1.00 40.01 C ATOM 216 C GLU A 14 -8.643 -3.871 5.939 1.00 54.14 C ATOM 217 O GLU A 14 -8.603 -3.735 4.714 1.00 3.33 O ATOM 218 CB GLU A 14 -10.843 -3.025 6.879 1.00 11.43 C ATOM 219 CG GLU A 14 -12.265 -3.334 7.394 1.00 2.44 C ATOM 220 CD GLU A 14 -13.064 -2.074 7.772 1.00 65.42 C ATOM 221 OE1 GLU A 14 -13.510 -1.343 6.862 1.00 72.22 O ATOM 222 OE2 GLU A 14 -13.255 -1.813 8.981 1.00 31.14 O ATOM 0 H GLU A 14 -9.964 -4.417 8.758 1.00 22.12 H new ATOM 0 HA GLU A 14 -10.490 -4.982 6.013 1.00 40.01 H new ATOM 0 HB2 GLU A 14 -10.346 -2.369 7.594 1.00 11.43 H new ATOM 0 HB3 GLU A 14 -10.922 -2.474 5.942 1.00 11.43 H new ATOM 0 HG2 GLU A 14 -12.810 -3.884 6.627 1.00 2.44 H new ATOM 0 HG3 GLU A 14 -12.195 -3.986 8.265 1.00 2.44 H new ATOM 229 N LEU A 15 -7.585 -3.655 6.744 1.00 25.04 N ATOM 230 CA LEU A 15 -6.212 -3.446 6.249 1.00 12.43 C ATOM 231 C LEU A 15 -5.683 -4.710 5.505 1.00 33.31 C ATOM 232 O LEU A 15 -4.924 -4.577 4.553 1.00 33.21 O ATOM 233 CB LEU A 15 -5.304 -3.001 7.445 1.00 71.42 C ATOM 234 CG LEU A 15 -3.747 -2.887 7.208 1.00 64.42 C ATOM 235 CD1 LEU A 15 -3.122 -1.775 8.088 1.00 14.14 C ATOM 236 CD2 LEU A 15 -3.023 -4.238 7.477 1.00 61.34 C ATOM 0 H LEU A 15 -7.660 -3.621 7.761 1.00 25.04 H new ATOM 0 HA LEU A 15 -6.197 -2.648 5.506 1.00 12.43 H new ATOM 0 HB2 LEU A 15 -5.659 -2.029 7.787 1.00 71.42 H new ATOM 0 HB3 LEU A 15 -5.464 -3.704 8.262 1.00 71.42 H new ATOM 0 HG LEU A 15 -3.609 -2.625 6.159 1.00 64.42 H new ATOM 0 HD11 LEU A 15 -2.049 -1.723 7.901 1.00 14.14 H new ATOM 0 HD12 LEU A 15 -3.580 -0.817 7.843 1.00 14.14 H new ATOM 0 HD13 LEU A 15 -3.296 -2.002 9.140 1.00 14.14 H new ATOM 0 HD21 LEU A 15 -1.954 -4.119 7.303 1.00 61.34 H new ATOM 0 HD22 LEU A 15 -3.191 -4.541 8.510 1.00 61.34 H new ATOM 0 HD23 LEU A 15 -3.417 -5.002 6.806 1.00 61.34 H new ATOM 248 N LYS A 16 -6.107 -5.929 5.932 1.00 2.44 N ATOM 249 CA LYS A 16 -5.777 -7.203 5.212 1.00 53.32 C ATOM 250 C LYS A 16 -6.504 -7.264 3.845 1.00 41.43 C ATOM 251 O LYS A 16 -5.922 -7.705 2.848 1.00 71.11 O ATOM 252 CB LYS A 16 -6.148 -8.478 6.032 1.00 14.12 C ATOM 253 CG LYS A 16 -5.249 -8.817 7.246 1.00 2.23 C ATOM 254 CD LYS A 16 -5.290 -7.748 8.358 1.00 13.42 C ATOM 255 CE LYS A 16 -4.822 -8.269 9.721 1.00 40.44 C ATOM 256 NZ LYS A 16 -5.689 -9.374 10.213 1.00 51.24 N ATOM 0 H LYS A 16 -6.676 -6.063 6.768 1.00 2.44 H new ATOM 0 HA LYS A 16 -4.697 -7.195 5.068 1.00 53.32 H new ATOM 0 HB2 LYS A 16 -7.172 -8.366 6.389 1.00 14.12 H new ATOM 0 HB3 LYS A 16 -6.139 -9.332 5.354 1.00 14.12 H new ATOM 0 HG2 LYS A 16 -5.560 -9.775 7.662 1.00 2.23 H new ATOM 0 HG3 LYS A 16 -4.221 -8.936 6.905 1.00 2.23 H new ATOM 0 HD2 LYS A 16 -4.664 -6.905 8.065 1.00 13.42 H new ATOM 0 HD3 LYS A 16 -6.308 -7.371 8.452 1.00 13.42 H new ATOM 0 HE2 LYS A 16 -3.793 -8.620 9.643 1.00 40.44 H new ATOM 0 HE3 LYS A 16 -4.826 -7.453 10.444 1.00 40.44 H new ATOM 0 HZ1 LYS A 16 -5.599 -9.452 11.246 1.00 51.24 H new ATOM 0 HZ2 LYS A 16 -6.679 -9.175 9.966 1.00 51.24 H new ATOM 0 HZ3 LYS A 16 -5.395 -10.269 9.772 1.00 51.24 H new ATOM 270 N GLU A 17 -7.790 -6.836 3.830 1.00 24.23 N ATOM 271 CA GLU A 17 -8.589 -6.668 2.577 1.00 32.41 C ATOM 272 C GLU A 17 -7.890 -5.704 1.607 1.00 2.22 C ATOM 273 O GLU A 17 -7.861 -5.916 0.388 1.00 23.34 O ATOM 274 CB GLU A 17 -10.009 -6.126 2.910 1.00 11.30 C ATOM 275 CG GLU A 17 -10.896 -5.812 1.679 1.00 54.34 C ATOM 276 CD GLU A 17 -12.308 -5.341 2.055 1.00 14.25 C ATOM 277 OE1 GLU A 17 -12.493 -4.134 2.332 1.00 13.10 O ATOM 278 OE2 GLU A 17 -13.237 -6.179 2.093 1.00 3.11 O ATOM 0 H GLU A 17 -8.306 -6.597 4.677 1.00 24.23 H new ATOM 0 HA GLU A 17 -8.676 -7.645 2.102 1.00 32.41 H new ATOM 0 HB2 GLU A 17 -10.524 -6.858 3.533 1.00 11.30 H new ATOM 0 HB3 GLU A 17 -9.905 -5.218 3.505 1.00 11.30 H new ATOM 0 HG2 GLU A 17 -10.412 -5.043 1.077 1.00 54.34 H new ATOM 0 HG3 GLU A 17 -10.971 -6.704 1.057 1.00 54.34 H new ATOM 285 N LEU A 18 -7.321 -4.652 2.189 1.00 14.31 N ATOM 286 CA LEU A 18 -6.641 -3.581 1.459 1.00 42.02 C ATOM 287 C LEU A 18 -5.304 -4.088 0.860 1.00 51.41 C ATOM 288 O LEU A 18 -4.994 -3.810 -0.292 1.00 15.21 O ATOM 289 CB LEU A 18 -6.442 -2.367 2.422 1.00 31.41 C ATOM 290 CG LEU A 18 -6.598 -0.949 1.797 1.00 25.44 C ATOM 291 CD1 LEU A 18 -7.872 -0.877 0.935 1.00 74.21 C ATOM 292 CD2 LEU A 18 -6.604 0.143 2.896 1.00 21.01 C ATOM 0 H LEU A 18 -7.318 -4.516 3.200 1.00 14.31 H new ATOM 0 HA LEU A 18 -7.249 -3.255 0.615 1.00 42.02 H new ATOM 0 HB2 LEU A 18 -7.157 -2.460 3.239 1.00 31.41 H new ATOM 0 HB3 LEU A 18 -5.446 -2.439 2.860 1.00 31.41 H new ATOM 0 HG LEU A 18 -5.740 -0.763 1.151 1.00 25.44 H new ATOM 0 HD11 LEU A 18 -7.965 0.121 0.506 1.00 74.21 H new ATOM 0 HD12 LEU A 18 -7.811 -1.612 0.133 1.00 74.21 H new ATOM 0 HD13 LEU A 18 -8.743 -1.088 1.555 1.00 74.21 H new ATOM 0 HD21 LEU A 18 -6.714 1.124 2.434 1.00 21.01 H new ATOM 0 HD22 LEU A 18 -7.436 -0.032 3.578 1.00 21.01 H new ATOM 0 HD23 LEU A 18 -5.666 0.106 3.450 1.00 21.01 H new ATOM 304 N ILE A 19 -4.547 -4.857 1.664 1.00 20.35 N ATOM 305 CA ILE A 19 -3.312 -5.555 1.223 1.00 24.51 C ATOM 306 C ILE A 19 -3.616 -6.540 0.063 1.00 51.13 C ATOM 307 O ILE A 19 -2.905 -6.566 -0.933 1.00 63.12 O ATOM 308 CB ILE A 19 -2.642 -6.321 2.445 1.00 55.33 C ATOM 309 CG1 ILE A 19 -2.032 -5.303 3.472 1.00 73.25 C ATOM 310 CG2 ILE A 19 -1.581 -7.367 2.001 1.00 63.34 C ATOM 311 CD1 ILE A 19 -1.445 -5.936 4.730 1.00 34.11 C ATOM 0 H ILE A 19 -4.772 -5.016 2.646 1.00 20.35 H new ATOM 0 HA ILE A 19 -2.610 -4.806 0.855 1.00 24.51 H new ATOM 0 HB ILE A 19 -3.438 -6.882 2.935 1.00 55.33 H new ATOM 0 HG12 ILE A 19 -1.251 -4.729 2.973 1.00 73.25 H new ATOM 0 HG13 ILE A 19 -2.808 -4.596 3.766 1.00 73.25 H new ATOM 0 HG21 ILE A 19 -1.161 -7.855 2.880 1.00 63.34 H new ATOM 0 HG22 ILE A 19 -2.052 -8.114 1.362 1.00 63.34 H new ATOM 0 HG23 ILE A 19 -0.785 -6.866 1.449 1.00 63.34 H new ATOM 0 HD11 ILE A 19 -1.048 -5.155 5.379 1.00 34.11 H new ATOM 0 HD12 ILE A 19 -2.224 -6.485 5.258 1.00 34.11 H new ATOM 0 HD13 ILE A 19 -0.643 -6.620 4.453 1.00 34.11 H new ATOM 323 N GLN A 20 -4.704 -7.309 0.208 1.00 33.10 N ATOM 324 CA GLN A 20 -5.135 -8.317 -0.785 1.00 3.34 C ATOM 325 C GLN A 20 -5.521 -7.670 -2.135 1.00 44.21 C ATOM 326 O GLN A 20 -5.114 -8.156 -3.200 1.00 74.34 O ATOM 327 CB GLN A 20 -6.328 -9.136 -0.213 1.00 11.13 C ATOM 328 CG GLN A 20 -6.926 -10.199 -1.169 1.00 42.33 C ATOM 329 CD GLN A 20 -5.928 -11.271 -1.621 1.00 31.33 C ATOM 330 OE1 GLN A 20 -5.003 -11.631 -0.900 1.00 43.24 O ATOM 331 NE2 GLN A 20 -6.108 -11.794 -2.813 1.00 1.52 N ATOM 0 H GLN A 20 -5.317 -7.253 1.021 1.00 33.10 H new ATOM 0 HA GLN A 20 -4.294 -8.983 -0.977 1.00 3.34 H new ATOM 0 HB2 GLN A 20 -5.999 -9.636 0.698 1.00 11.13 H new ATOM 0 HB3 GLN A 20 -7.119 -8.442 0.072 1.00 11.13 H new ATOM 0 HG2 GLN A 20 -7.765 -10.686 -0.673 1.00 42.33 H new ATOM 0 HG3 GLN A 20 -7.325 -9.696 -2.050 1.00 42.33 H new ATOM 0 HE21 GLN A 20 -6.884 -11.480 -3.396 1.00 1.52 H new ATOM 0 HE22 GLN A 20 -5.472 -12.514 -3.155 1.00 1.52 H new ATOM 340 N ASN A 21 -6.299 -6.569 -2.076 1.00 4.21 N ATOM 341 CA ASN A 21 -6.785 -5.874 -3.286 1.00 72.40 C ATOM 342 C ASN A 21 -5.615 -5.164 -4.009 1.00 44.34 C ATOM 343 O ASN A 21 -5.412 -5.383 -5.200 1.00 25.24 O ATOM 344 CB ASN A 21 -7.926 -4.869 -2.951 1.00 52.34 C ATOM 345 CG ASN A 21 -8.691 -4.347 -4.190 1.00 24.12 C ATOM 346 OD1 ASN A 21 -8.822 -5.158 -5.230 1.00 73.44 O flip ATOM 347 ND2 ASN A 21 -9.191 -3.228 -4.205 1.00 62.02 N flip ATOM 0 H ASN A 21 -6.604 -6.142 -1.202 1.00 4.21 H new ATOM 0 HA ASN A 21 -7.202 -6.625 -3.957 1.00 72.40 H new ATOM 0 HB2 ASN A 21 -8.634 -5.351 -2.277 1.00 52.34 H new ATOM 0 HB3 ASN A 21 -7.502 -4.020 -2.415 1.00 52.34 H new ATOM 0 HD21 ASN A 21 -9.085 -2.611 -3.400 1.00 62.02 H new ATOM 0 HD22 ASN A 21 -9.713 -2.914 -5.023 1.00 62.02 H new ATOM 354 N VAL A 22 -4.835 -4.353 -3.252 1.00 1.44 N ATOM 355 CA VAL A 22 -3.634 -3.639 -3.774 1.00 63.44 C ATOM 356 C VAL A 22 -2.627 -4.606 -4.420 1.00 24.31 C ATOM 357 O VAL A 22 -2.258 -4.418 -5.566 1.00 70.21 O ATOM 358 CB VAL A 22 -2.902 -2.801 -2.647 1.00 12.25 C ATOM 359 CG1 VAL A 22 -1.494 -2.305 -3.079 1.00 40.43 C ATOM 360 CG2 VAL A 22 -3.766 -1.608 -2.217 1.00 33.21 C ATOM 0 H VAL A 22 -5.017 -4.173 -2.265 1.00 1.44 H new ATOM 0 HA VAL A 22 -4.004 -2.953 -4.536 1.00 63.44 H new ATOM 0 HB VAL A 22 -2.760 -3.476 -1.803 1.00 12.25 H new ATOM 0 HG11 VAL A 22 -1.043 -1.737 -2.265 1.00 40.43 H new ATOM 0 HG12 VAL A 22 -0.864 -3.162 -3.317 1.00 40.43 H new ATOM 0 HG13 VAL A 22 -1.587 -1.668 -3.958 1.00 40.43 H new ATOM 0 HG21 VAL A 22 -3.247 -1.044 -1.442 1.00 33.21 H new ATOM 0 HG22 VAL A 22 -3.948 -0.962 -3.076 1.00 33.21 H new ATOM 0 HG23 VAL A 22 -4.717 -1.970 -1.827 1.00 33.21 H new ATOM 370 N ASN A 23 -2.195 -5.635 -3.670 1.00 41.53 N ATOM 371 CA ASN A 23 -1.216 -6.636 -4.160 1.00 62.44 C ATOM 372 C ASN A 23 -1.706 -7.364 -5.426 1.00 74.13 C ATOM 373 O ASN A 23 -0.901 -7.665 -6.301 1.00 15.32 O ATOM 374 CB ASN A 23 -0.854 -7.658 -3.053 1.00 34.24 C ATOM 375 CG ASN A 23 0.136 -7.107 -2.026 1.00 14.24 C ATOM 376 OD1 ASN A 23 0.998 -6.290 -2.343 1.00 3.23 O ATOM 377 ND2 ASN A 23 0.034 -7.559 -0.792 1.00 3.12 N ATOM 0 H ASN A 23 -2.508 -5.800 -2.714 1.00 41.53 H new ATOM 0 HA ASN A 23 -0.316 -6.083 -4.429 1.00 62.44 H new ATOM 0 HB2 ASN A 23 -1.765 -7.967 -2.541 1.00 34.24 H new ATOM 0 HB3 ASN A 23 -0.430 -8.550 -3.515 1.00 34.24 H new ATOM 0 HD21 ASN A 23 0.680 -7.231 -0.074 1.00 3.12 H new ATOM 0 HD22 ASN A 23 -0.691 -8.237 -0.555 1.00 3.12 H new ATOM 384 N ASP A 24 -3.025 -7.624 -5.526 1.00 2.20 N ATOM 385 CA ASP A 24 -3.611 -8.273 -6.716 1.00 24.34 C ATOM 386 C ASP A 24 -3.684 -7.286 -7.914 1.00 64.32 C ATOM 387 O ASP A 24 -3.538 -7.701 -9.067 1.00 53.24 O ATOM 388 CB ASP A 24 -5.000 -8.867 -6.394 1.00 71.33 C ATOM 389 CG ASP A 24 -5.478 -9.834 -7.488 1.00 4.12 C ATOM 390 OD1 ASP A 24 -4.935 -10.957 -7.567 1.00 11.41 O ATOM 391 OD2 ASP A 24 -6.375 -9.477 -8.280 1.00 20.23 O ATOM 0 H ASP A 24 -3.703 -7.395 -4.799 1.00 2.20 H new ATOM 0 HA ASP A 24 -2.957 -9.095 -7.006 1.00 24.34 H new ATOM 0 HB2 ASP A 24 -4.958 -9.391 -5.439 1.00 71.33 H new ATOM 0 HB3 ASP A 24 -5.723 -8.059 -6.282 1.00 71.33 H new ATOM 396 N ASP A 25 -3.904 -5.983 -7.625 1.00 21.10 N ATOM 397 CA ASP A 25 -3.773 -4.902 -8.629 1.00 60.14 C ATOM 398 C ASP A 25 -2.314 -4.814 -9.145 1.00 62.44 C ATOM 399 O ASP A 25 -2.090 -4.639 -10.340 1.00 51.50 O ATOM 400 CB ASP A 25 -4.220 -3.530 -8.044 1.00 2.12 C ATOM 401 CG ASP A 25 -5.743 -3.400 -7.864 1.00 34.31 C ATOM 402 OD1 ASP A 25 -6.480 -3.547 -8.867 1.00 15.24 O ATOM 403 OD2 ASP A 25 -6.215 -3.103 -6.742 1.00 53.24 O ATOM 0 H ASP A 25 -4.175 -5.653 -6.699 1.00 21.10 H new ATOM 0 HA ASP A 25 -4.429 -5.143 -9.465 1.00 60.14 H new ATOM 0 HB2 ASP A 25 -3.735 -3.381 -7.079 1.00 2.12 H new ATOM 0 HB3 ASP A 25 -3.872 -2.734 -8.702 1.00 2.12 H new ATOM 408 N ILE A 26 -1.332 -4.969 -8.223 1.00 34.30 N ATOM 409 CA ILE A 26 0.113 -4.992 -8.563 1.00 5.41 C ATOM 410 C ILE A 26 0.457 -6.270 -9.378 1.00 74.43 C ATOM 411 O ILE A 26 1.301 -6.228 -10.256 1.00 23.11 O ATOM 412 CB ILE A 26 1.054 -4.926 -7.289 1.00 51.23 C ATOM 413 CG1 ILE A 26 0.704 -3.730 -6.354 1.00 22.31 C ATOM 414 CG2 ILE A 26 2.543 -4.835 -7.709 1.00 51.23 C ATOM 415 CD1 ILE A 26 1.443 -3.715 -5.022 1.00 30.20 C ATOM 0 H ILE A 26 -1.518 -5.081 -7.226 1.00 34.30 H new ATOM 0 HA ILE A 26 0.298 -4.097 -9.157 1.00 5.41 H new ATOM 0 HB ILE A 26 0.887 -5.848 -6.732 1.00 51.23 H new ATOM 0 HG12 ILE A 26 0.919 -2.801 -6.882 1.00 22.31 H new ATOM 0 HG13 ILE A 26 -0.368 -3.744 -6.157 1.00 22.31 H new ATOM 0 HG21 ILE A 26 3.170 -4.791 -6.819 1.00 51.23 H new ATOM 0 HG22 ILE A 26 2.809 -5.713 -8.297 1.00 51.23 H new ATOM 0 HG23 ILE A 26 2.698 -3.937 -8.307 1.00 51.23 H new ATOM 0 HD11 ILE A 26 1.132 -2.845 -4.443 1.00 30.20 H new ATOM 0 HD12 ILE A 26 1.210 -4.623 -4.466 1.00 30.20 H new ATOM 0 HD13 ILE A 26 2.517 -3.665 -5.202 1.00 30.20 H new ATOM 427 N LYS A 27 -0.216 -7.398 -9.073 1.00 14.11 N ATOM 428 CA LYS A 27 -0.070 -8.672 -9.831 1.00 61.22 C ATOM 429 C LYS A 27 -0.584 -8.527 -11.282 1.00 63.23 C ATOM 430 O LYS A 27 -0.023 -9.110 -12.222 1.00 71.13 O ATOM 431 CB LYS A 27 -0.816 -9.821 -9.099 1.00 44.51 C ATOM 432 CG LYS A 27 -0.150 -10.295 -7.789 1.00 50.35 C ATOM 433 CD LYS A 27 -1.048 -11.217 -6.910 1.00 43.55 C ATOM 434 CE LYS A 27 -1.448 -12.560 -7.577 1.00 20.42 C ATOM 435 NZ LYS A 27 -2.513 -12.419 -8.609 1.00 53.32 N ATOM 0 H LYS A 27 -0.876 -7.459 -8.298 1.00 14.11 H new ATOM 0 HA LYS A 27 0.991 -8.916 -9.880 1.00 61.22 H new ATOM 0 HB2 LYS A 27 -1.831 -9.492 -8.876 1.00 44.51 H new ATOM 0 HB3 LYS A 27 -0.898 -10.671 -9.776 1.00 44.51 H new ATOM 0 HG2 LYS A 27 0.768 -10.829 -8.034 1.00 50.35 H new ATOM 0 HG3 LYS A 27 0.136 -9.421 -7.204 1.00 50.35 H new ATOM 0 HD2 LYS A 27 -0.523 -11.432 -5.979 1.00 43.55 H new ATOM 0 HD3 LYS A 27 -1.955 -10.673 -6.647 1.00 43.55 H new ATOM 0 HE2 LYS A 27 -0.565 -13.005 -8.036 1.00 20.42 H new ATOM 0 HE3 LYS A 27 -1.789 -13.251 -6.807 1.00 20.42 H new ATOM 0 HZ1 LYS A 27 -3.119 -13.264 -8.600 1.00 53.32 H new ATOM 0 HZ2 LYS A 27 -3.088 -11.578 -8.401 1.00 53.32 H new ATOM 0 HZ3 LYS A 27 -2.076 -12.316 -9.547 1.00 53.32 H new ATOM 449 N GLU A 28 -1.655 -7.736 -11.437 1.00 15.44 N ATOM 450 CA GLU A 28 -2.175 -7.323 -12.754 1.00 42.40 C ATOM 451 C GLU A 28 -1.195 -6.357 -13.480 1.00 20.44 C ATOM 452 O GLU A 28 -1.156 -6.311 -14.714 1.00 25.02 O ATOM 453 CB GLU A 28 -3.558 -6.663 -12.580 1.00 75.14 C ATOM 454 CG GLU A 28 -4.684 -7.608 -12.111 1.00 45.15 C ATOM 455 CD GLU A 28 -5.082 -8.657 -13.168 1.00 61.54 C ATOM 456 OE1 GLU A 28 -5.852 -8.318 -14.087 1.00 12.03 O ATOM 457 OE2 GLU A 28 -4.636 -9.824 -13.079 1.00 42.11 O ATOM 0 H GLU A 28 -2.189 -7.362 -10.652 1.00 15.44 H new ATOM 0 HA GLU A 28 -2.274 -8.212 -13.377 1.00 42.40 H new ATOM 0 HB2 GLU A 28 -3.466 -5.849 -11.861 1.00 75.14 H new ATOM 0 HB3 GLU A 28 -3.852 -6.217 -13.530 1.00 75.14 H new ATOM 0 HG2 GLU A 28 -4.364 -8.120 -11.204 1.00 45.15 H new ATOM 0 HG3 GLU A 28 -5.561 -7.015 -11.850 1.00 45.15 H new ATOM 464 N VAL A 29 -0.421 -5.579 -12.699 1.00 42.11 N ATOM 465 CA VAL A 29 0.662 -4.732 -13.240 1.00 23.44 C ATOM 466 C VAL A 29 1.898 -5.587 -13.667 1.00 34.24 C ATOM 467 O VAL A 29 2.538 -5.298 -14.676 1.00 14.55 O ATOM 468 CB VAL A 29 1.144 -3.641 -12.216 1.00 60.45 C ATOM 469 CG1 VAL A 29 2.263 -2.792 -12.827 1.00 22.14 C ATOM 470 CG2 VAL A 29 -0.002 -2.723 -11.726 1.00 53.23 C ATOM 0 H VAL A 29 -0.526 -5.519 -11.686 1.00 42.11 H new ATOM 0 HA VAL A 29 0.236 -4.233 -14.110 1.00 23.44 H new ATOM 0 HB VAL A 29 1.519 -4.179 -11.345 1.00 60.45 H new ATOM 0 HG11 VAL A 29 2.586 -2.041 -12.105 1.00 22.14 H new ATOM 0 HG12 VAL A 29 3.106 -3.433 -13.086 1.00 22.14 H new ATOM 0 HG13 VAL A 29 1.895 -2.297 -13.726 1.00 22.14 H new ATOM 0 HG21 VAL A 29 0.394 -1.991 -11.022 1.00 53.23 H new ATOM 0 HG22 VAL A 29 -0.443 -2.205 -12.578 1.00 53.23 H new ATOM 0 HG23 VAL A 29 -0.765 -3.325 -11.233 1.00 53.23 H new ATOM 480 N GLU A 30 2.229 -6.638 -12.891 1.00 53.31 N ATOM 481 CA GLU A 30 3.425 -7.493 -13.154 1.00 35.11 C ATOM 482 C GLU A 30 3.372 -8.131 -14.566 1.00 3.22 C ATOM 483 O GLU A 30 4.413 -8.383 -15.183 1.00 14.02 O ATOM 484 CB GLU A 30 3.576 -8.588 -12.058 1.00 71.02 C ATOM 485 CG GLU A 30 3.859 -8.040 -10.645 1.00 73.14 C ATOM 486 CD GLU A 30 3.951 -9.128 -9.558 1.00 34.20 C ATOM 487 OE1 GLU A 30 2.976 -9.881 -9.376 1.00 30.04 O ATOM 488 OE2 GLU A 30 4.987 -9.234 -8.864 1.00 14.40 O ATOM 0 H GLU A 30 1.690 -6.923 -12.073 1.00 53.31 H new ATOM 0 HA GLU A 30 4.303 -6.848 -13.118 1.00 35.11 H new ATOM 0 HB2 GLU A 30 2.663 -9.183 -12.028 1.00 71.02 H new ATOM 0 HB3 GLU A 30 4.385 -9.260 -12.343 1.00 71.02 H new ATOM 0 HG2 GLU A 30 4.794 -7.480 -10.664 1.00 73.14 H new ATOM 0 HG3 GLU A 30 3.071 -7.336 -10.375 1.00 73.14 H new ATOM 495 N LYS A 31 2.149 -8.371 -15.077 1.00 3.25 N ATOM 496 CA LYS A 31 1.935 -8.855 -16.458 1.00 3.23 C ATOM 497 C LYS A 31 1.785 -7.670 -17.463 1.00 70.15 C ATOM 498 O LYS A 31 2.269 -7.750 -18.597 1.00 3.52 O ATOM 499 CB LYS A 31 0.700 -9.798 -16.501 1.00 20.11 C ATOM 500 CG LYS A 31 -0.646 -9.132 -16.130 1.00 0.23 C ATOM 501 CD LYS A 31 -1.820 -10.137 -15.962 1.00 25.52 C ATOM 502 CE LYS A 31 -1.843 -10.845 -14.585 1.00 64.31 C ATOM 503 NZ LYS A 31 -0.646 -11.675 -14.320 1.00 45.21 N ATOM 0 H LYS A 31 1.286 -8.237 -14.550 1.00 3.25 H new ATOM 0 HA LYS A 31 2.814 -9.420 -16.767 1.00 3.23 H new ATOM 0 HB2 LYS A 31 0.616 -10.217 -17.504 1.00 20.11 H new ATOM 0 HB3 LYS A 31 0.875 -10.632 -15.821 1.00 20.11 H new ATOM 0 HG2 LYS A 31 -0.521 -8.576 -15.201 1.00 0.23 H new ATOM 0 HG3 LYS A 31 -0.907 -8.409 -16.902 1.00 0.23 H new ATOM 0 HD2 LYS A 31 -2.762 -9.608 -16.104 1.00 25.52 H new ATOM 0 HD3 LYS A 31 -1.756 -10.891 -16.747 1.00 25.52 H new ATOM 0 HE2 LYS A 31 -1.933 -10.093 -13.801 1.00 64.31 H new ATOM 0 HE3 LYS A 31 -2.731 -11.475 -14.525 1.00 64.31 H new ATOM 0 HZ1 LYS A 31 -0.890 -12.431 -13.649 1.00 45.21 H new ATOM 0 HZ2 LYS A 31 -0.312 -12.097 -15.210 1.00 45.21 H new ATOM 0 HZ3 LYS A 31 0.105 -11.081 -13.915 1.00 45.21 H new ATOM 517 N ASN A 32 1.125 -6.566 -17.030 1.00 13.33 N ATOM 518 CA ASN A 32 0.848 -5.367 -17.882 1.00 52.33 C ATOM 519 C ASN A 32 1.308 -4.075 -17.140 1.00 33.23 C ATOM 520 O ASN A 32 0.507 -3.433 -16.447 1.00 32.55 O ATOM 521 CB ASN A 32 -0.665 -5.308 -18.238 1.00 70.45 C ATOM 522 CG ASN A 32 -1.154 -6.526 -19.036 1.00 31.01 C ATOM 523 OD1 ASN A 32 -0.435 -7.071 -19.871 1.00 63.01 O ATOM 524 ND2 ASN A 32 -2.362 -6.983 -18.770 1.00 61.44 N ATOM 0 H ASN A 32 0.767 -6.476 -16.079 1.00 13.33 H new ATOM 0 HA ASN A 32 1.410 -5.442 -18.813 1.00 52.33 H new ATOM 0 HB2 ASN A 32 -1.244 -5.230 -17.318 1.00 70.45 H new ATOM 0 HB3 ASN A 32 -0.860 -4.404 -18.815 1.00 70.45 H new ATOM 0 HD21 ASN A 32 -2.716 -7.804 -19.261 1.00 61.44 H new ATOM 0 HD22 ASN A 32 -2.942 -6.516 -18.073 1.00 61.44 H new ATOM 531 N PRO A 33 2.629 -3.691 -17.260 1.00 1.31 N ATOM 532 CA PRO A 33 3.284 -2.710 -16.335 1.00 42.32 C ATOM 533 C PRO A 33 2.748 -1.260 -16.442 1.00 62.25 C ATOM 534 O PRO A 33 2.579 -0.571 -15.430 1.00 45.30 O ATOM 535 CB PRO A 33 4.785 -2.803 -16.730 1.00 4.23 C ATOM 536 CG PRO A 33 4.770 -3.238 -18.167 1.00 72.25 C ATOM 537 CD PRO A 33 3.584 -4.171 -18.302 1.00 61.45 C ATOM 0 HA PRO A 33 3.082 -2.956 -15.292 1.00 42.32 H new ATOM 0 HB2 PRO A 33 5.287 -1.843 -16.611 1.00 4.23 H new ATOM 0 HB3 PRO A 33 5.316 -3.520 -16.104 1.00 4.23 H new ATOM 0 HG2 PRO A 33 4.672 -2.382 -18.834 1.00 72.25 H new ATOM 0 HG3 PRO A 33 5.698 -3.744 -18.432 1.00 72.25 H new ATOM 0 HD2 PRO A 33 3.147 -4.119 -19.299 1.00 61.45 H new ATOM 0 HD3 PRO A 33 3.871 -5.209 -18.133 1.00 61.45 H new ATOM 545 N GLU A 34 2.454 -0.825 -17.672 1.00 10.01 N ATOM 546 CA GLU A 34 2.105 0.578 -17.975 1.00 35.11 C ATOM 547 C GLU A 34 0.611 0.890 -17.754 1.00 73.32 C ATOM 548 O GLU A 34 0.162 1.988 -18.103 1.00 5.34 O ATOM 549 CB GLU A 34 2.530 0.897 -19.431 1.00 15.40 C ATOM 550 CG GLU A 34 4.040 0.727 -19.693 1.00 32.34 C ATOM 551 CD GLU A 34 4.444 1.035 -21.142 1.00 51.01 C ATOM 552 OE1 GLU A 34 4.401 2.220 -21.537 1.00 33.32 O ATOM 553 OE2 GLU A 34 4.795 0.101 -21.894 1.00 2.50 O ATOM 0 H GLU A 34 2.450 -1.433 -18.491 1.00 10.01 H new ATOM 0 HA GLU A 34 2.646 1.217 -17.277 1.00 35.11 H new ATOM 0 HB2 GLU A 34 1.978 0.248 -20.111 1.00 15.40 H new ATOM 0 HB3 GLU A 34 2.244 1.922 -19.666 1.00 15.40 H new ATOM 0 HG2 GLU A 34 4.594 1.383 -19.022 1.00 32.34 H new ATOM 0 HG3 GLU A 34 4.331 -0.295 -19.452 1.00 32.34 H new ATOM 560 N ASP A 35 -0.152 -0.052 -17.155 1.00 23.12 N ATOM 561 CA ASP A 35 -1.577 0.166 -16.852 1.00 33.52 C ATOM 562 C ASP A 35 -1.712 1.124 -15.636 1.00 33.43 C ATOM 563 O ASP A 35 -1.549 0.723 -14.477 1.00 21.55 O ATOM 564 CB ASP A 35 -2.308 -1.176 -16.601 1.00 63.43 C ATOM 565 CG ASP A 35 -3.845 -1.038 -16.688 1.00 55.11 C ATOM 566 OD1 ASP A 35 -4.449 -0.312 -15.864 1.00 33.03 O ATOM 567 OD2 ASP A 35 -4.457 -1.641 -17.590 1.00 1.43 O ATOM 0 H ASP A 35 0.198 -0.968 -16.874 1.00 23.12 H new ATOM 0 HA ASP A 35 -2.054 0.631 -17.715 1.00 33.52 H new ATOM 0 HB2 ASP A 35 -1.971 -1.912 -17.331 1.00 63.43 H new ATOM 0 HB3 ASP A 35 -2.036 -1.556 -15.616 1.00 63.43 H new ATOM 572 N MET A 36 -2.014 2.390 -15.941 1.00 42.44 N ATOM 573 CA MET A 36 -2.054 3.488 -14.962 1.00 14.24 C ATOM 574 C MET A 36 -3.321 3.461 -14.079 1.00 0.54 C ATOM 575 O MET A 36 -3.324 4.037 -12.991 1.00 14.10 O ATOM 576 CB MET A 36 -1.936 4.831 -15.716 1.00 64.22 C ATOM 577 CG MET A 36 -0.632 5.029 -16.515 1.00 55.13 C ATOM 578 SD MET A 36 0.810 5.339 -15.469 1.00 64.15 S ATOM 579 CE MET A 36 1.415 3.698 -15.083 1.00 75.02 C ATOM 0 H MET A 36 -2.242 2.688 -16.889 1.00 42.44 H new ATOM 0 HA MET A 36 -1.213 3.364 -14.280 1.00 14.24 H new ATOM 0 HB2 MET A 36 -2.779 4.919 -16.402 1.00 64.22 H new ATOM 0 HB3 MET A 36 -2.027 5.643 -14.994 1.00 64.22 H new ATOM 0 HG2 MET A 36 -0.448 4.142 -17.122 1.00 55.13 H new ATOM 0 HG3 MET A 36 -0.759 5.865 -17.203 1.00 55.13 H new ATOM 0 HE1 MET A 36 1.684 3.648 -14.028 1.00 75.02 H new ATOM 0 HE2 MET A 36 0.637 2.964 -15.294 1.00 75.02 H new ATOM 0 HE3 MET A 36 2.293 3.481 -15.692 1.00 75.02 H new ATOM 589 N GLU A 37 -4.396 2.821 -14.571 1.00 64.02 N ATOM 590 CA GLU A 37 -5.643 2.621 -13.787 1.00 31.43 C ATOM 591 C GLU A 37 -5.442 1.592 -12.649 1.00 31.15 C ATOM 592 O GLU A 37 -5.991 1.764 -11.554 1.00 25.20 O ATOM 593 CB GLU A 37 -6.829 2.202 -14.693 1.00 31.42 C ATOM 594 CG GLU A 37 -7.225 3.260 -15.742 1.00 64.05 C ATOM 595 CD GLU A 37 -8.532 2.927 -16.476 1.00 70.24 C ATOM 596 OE1 GLU A 37 -8.518 2.045 -17.361 1.00 42.01 O ATOM 597 OE2 GLU A 37 -9.575 3.551 -16.180 1.00 3.01 O ATOM 0 H GLU A 37 -4.433 2.429 -15.512 1.00 64.02 H new ATOM 0 HA GLU A 37 -5.888 3.582 -13.335 1.00 31.43 H new ATOM 0 HB2 GLU A 37 -6.570 1.276 -15.207 1.00 31.42 H new ATOM 0 HB3 GLU A 37 -7.694 1.987 -14.065 1.00 31.42 H new ATOM 0 HG2 GLU A 37 -7.328 4.228 -15.251 1.00 64.05 H new ATOM 0 HG3 GLU A 37 -6.421 3.357 -16.472 1.00 64.05 H new ATOM 604 N TYR A 38 -4.653 0.524 -12.917 1.00 24.33 N ATOM 605 CA TYR A 38 -4.217 -0.432 -11.865 1.00 12.25 C ATOM 606 C TYR A 38 -3.349 0.285 -10.814 1.00 60.43 C ATOM 607 O TYR A 38 -3.523 0.077 -9.615 1.00 35.41 O ATOM 608 CB TYR A 38 -3.450 -1.649 -12.473 1.00 21.24 C ATOM 609 CG TYR A 38 -4.362 -2.721 -13.100 1.00 11.15 C ATOM 610 CD1 TYR A 38 -5.586 -3.073 -12.511 1.00 74.54 C ATOM 611 CD2 TYR A 38 -4.012 -3.367 -14.286 1.00 63.54 C ATOM 612 CE1 TYR A 38 -6.411 -4.019 -13.090 1.00 33.44 C ATOM 613 CE2 TYR A 38 -4.839 -4.303 -14.867 1.00 33.03 C ATOM 614 CZ TYR A 38 -6.033 -4.628 -14.267 1.00 33.42 C ATOM 615 OH TYR A 38 -6.855 -5.565 -14.854 1.00 43.45 O ATOM 0 H TYR A 38 -4.305 0.301 -13.850 1.00 24.33 H new ATOM 0 HA TYR A 38 -5.112 -0.819 -11.378 1.00 12.25 H new ATOM 0 HB2 TYR A 38 -2.759 -1.285 -13.234 1.00 21.24 H new ATOM 0 HB3 TYR A 38 -2.848 -2.112 -11.691 1.00 21.24 H new ATOM 0 HD1 TYR A 38 -5.889 -2.597 -11.590 1.00 74.54 H new ATOM 0 HD2 TYR A 38 -3.071 -3.128 -14.759 1.00 63.54 H new ATOM 0 HE1 TYR A 38 -7.349 -4.280 -12.622 1.00 33.44 H new ATOM 0 HE2 TYR A 38 -4.550 -4.781 -15.792 1.00 33.03 H new ATOM 0 HH TYR A 38 -6.546 -6.465 -14.618 1.00 43.45 H new ATOM 625 N TRP A 39 -2.440 1.158 -11.280 1.00 34.12 N ATOM 626 CA TRP A 39 -1.606 1.989 -10.391 1.00 10.05 C ATOM 627 C TRP A 39 -2.427 3.054 -9.628 1.00 42.51 C ATOM 628 O TRP A 39 -2.066 3.406 -8.508 1.00 50.45 O ATOM 629 CB TRP A 39 -0.430 2.634 -11.178 1.00 32.02 C ATOM 630 CG TRP A 39 0.709 1.670 -11.426 1.00 23.24 C ATOM 631 CD1 TRP A 39 1.173 1.210 -12.622 1.00 34.24 C ATOM 632 CD2 TRP A 39 1.499 1.016 -10.415 1.00 73.24 C ATOM 633 NE1 TRP A 39 2.219 0.351 -12.419 1.00 43.02 N ATOM 634 CE2 TRP A 39 2.426 0.205 -11.071 1.00 60.12 C ATOM 635 CE3 TRP A 39 1.520 1.053 -9.019 1.00 41.31 C ATOM 636 CZ2 TRP A 39 3.353 -0.577 -10.383 1.00 73.12 C ATOM 637 CZ3 TRP A 39 2.432 0.276 -8.340 1.00 35.43 C ATOM 638 CH2 TRP A 39 3.342 -0.529 -9.025 1.00 42.51 C ATOM 0 H TRP A 39 -2.263 1.308 -12.273 1.00 34.12 H new ATOM 0 HA TRP A 39 -1.188 1.325 -9.635 1.00 10.05 H new ATOM 0 HB2 TRP A 39 -0.799 3.006 -12.134 1.00 32.02 H new ATOM 0 HB3 TRP A 39 -0.057 3.495 -10.623 1.00 32.02 H new ATOM 0 HD1 TRP A 39 0.774 1.483 -13.588 1.00 34.24 H new ATOM 0 HE1 TRP A 39 2.759 -0.108 -13.153 1.00 43.02 H new ATOM 0 HE3 TRP A 39 0.829 1.683 -8.479 1.00 41.31 H new ATOM 0 HZ2 TRP A 39 4.057 -1.201 -10.913 1.00 73.12 H new ATOM 0 HZ3 TRP A 39 2.443 0.290 -7.260 1.00 35.43 H new ATOM 0 HH2 TRP A 39 4.050 -1.124 -8.467 1.00 42.51 H new ATOM 649 N ASN A 40 -3.531 3.548 -10.221 1.00 62.22 N ATOM 650 CA ASN A 40 -4.429 4.508 -9.563 1.00 35.13 C ATOM 651 C ASN A 40 -5.206 3.829 -8.410 1.00 41.35 C ATOM 652 O ASN A 40 -5.418 4.435 -7.359 1.00 43.44 O ATOM 653 CB ASN A 40 -5.403 5.086 -10.606 1.00 42.35 C ATOM 654 CG ASN A 40 -6.260 6.227 -10.074 1.00 71.23 C ATOM 655 OD1 ASN A 40 -5.875 6.962 -9.169 1.00 34.43 O ATOM 656 ND2 ASN A 40 -7.415 6.396 -10.648 1.00 3.44 N ATOM 0 H ASN A 40 -3.822 3.293 -11.165 1.00 62.22 H new ATOM 0 HA ASN A 40 -3.838 5.317 -9.134 1.00 35.13 H new ATOM 0 HB2 ASN A 40 -4.834 5.441 -11.465 1.00 42.35 H new ATOM 0 HB3 ASN A 40 -6.055 4.289 -10.963 1.00 42.35 H new ATOM 0 HD21 ASN A 40 -8.027 7.155 -10.349 1.00 3.44 H new ATOM 0 HD22 ASN A 40 -7.709 5.770 -11.398 1.00 3.44 H new ATOM 663 N LYS A 41 -5.623 2.563 -8.634 1.00 2.10 N ATOM 664 CA LYS A 41 -6.201 1.690 -7.582 1.00 32.24 C ATOM 665 C LYS A 41 -5.259 1.604 -6.365 1.00 12.20 C ATOM 666 O LYS A 41 -5.629 1.959 -5.245 1.00 51.12 O ATOM 667 CB LYS A 41 -6.434 0.262 -8.148 1.00 45.32 C ATOM 668 CG LYS A 41 -7.634 0.109 -9.103 1.00 54.24 C ATOM 669 CD LYS A 41 -9.000 0.216 -8.373 1.00 13.11 C ATOM 670 CE LYS A 41 -9.120 -0.754 -7.170 1.00 3.31 C ATOM 671 NZ LYS A 41 -8.828 -2.168 -7.535 1.00 52.14 N ATOM 0 H LYS A 41 -5.569 2.115 -9.549 1.00 2.10 H new ATOM 0 HA LYS A 41 -7.151 2.122 -7.265 1.00 32.24 H new ATOM 0 HB2 LYS A 41 -5.532 -0.052 -8.674 1.00 45.32 H new ATOM 0 HB3 LYS A 41 -6.570 -0.423 -7.311 1.00 45.32 H new ATOM 0 HG2 LYS A 41 -7.578 0.876 -9.875 1.00 54.24 H new ATOM 0 HG3 LYS A 41 -7.571 -0.855 -9.607 1.00 54.24 H new ATOM 0 HD2 LYS A 41 -9.140 1.239 -8.024 1.00 13.11 H new ATOM 0 HD3 LYS A 41 -9.802 0.009 -9.082 1.00 13.11 H new ATOM 0 HE2 LYS A 41 -8.434 -0.438 -6.385 1.00 3.31 H new ATOM 0 HE3 LYS A 41 -10.127 -0.691 -6.758 1.00 3.31 H new ATOM 0 HZ1 LYS A 41 -9.545 -2.791 -7.112 1.00 52.14 H new ATOM 0 HZ2 LYS A 41 -8.847 -2.270 -8.570 1.00 52.14 H new ATOM 0 HZ3 LYS A 41 -7.887 -2.431 -7.178 1.00 52.14 H new ATOM 685 N ILE A 42 -4.019 1.188 -6.647 1.00 64.31 N ATOM 686 CA ILE A 42 -2.936 1.052 -5.652 1.00 20.44 C ATOM 687 C ILE A 42 -2.689 2.389 -4.910 1.00 12.23 C ATOM 688 O ILE A 42 -2.613 2.415 -3.698 1.00 24.14 O ATOM 689 CB ILE A 42 -1.631 0.558 -6.386 1.00 12.22 C ATOM 690 CG1 ILE A 42 -1.895 -0.847 -7.039 1.00 33.15 C ATOM 691 CG2 ILE A 42 -0.394 0.527 -5.444 1.00 60.00 C ATOM 692 CD1 ILE A 42 -0.933 -1.238 -8.147 1.00 34.43 C ATOM 0 H ILE A 42 -3.729 0.930 -7.590 1.00 64.31 H new ATOM 0 HA ILE A 42 -3.226 0.319 -4.899 1.00 20.44 H new ATOM 0 HB ILE A 42 -1.392 1.276 -7.170 1.00 12.22 H new ATOM 0 HG12 ILE A 42 -1.852 -1.606 -6.258 1.00 33.15 H new ATOM 0 HG13 ILE A 42 -2.909 -0.859 -7.439 1.00 33.15 H new ATOM 0 HG21 ILE A 42 0.477 0.180 -5.999 1.00 60.00 H new ATOM 0 HG22 ILE A 42 -0.204 1.529 -5.060 1.00 60.00 H new ATOM 0 HG23 ILE A 42 -0.587 -0.150 -4.612 1.00 60.00 H new ATOM 0 HD11 ILE A 42 -1.201 -2.223 -8.531 1.00 34.43 H new ATOM 0 HD12 ILE A 42 -0.990 -0.507 -8.953 1.00 34.43 H new ATOM 0 HD13 ILE A 42 0.083 -1.266 -7.754 1.00 34.43 H new ATOM 704 N TYR A 43 -2.650 3.491 -5.665 1.00 54.34 N ATOM 705 CA TYR A 43 -2.402 4.855 -5.139 1.00 50.13 C ATOM 706 C TYR A 43 -3.508 5.312 -4.138 1.00 12.32 C ATOM 707 O TYR A 43 -3.202 5.851 -3.070 1.00 41.42 O ATOM 708 CB TYR A 43 -2.309 5.828 -6.344 1.00 4.44 C ATOM 709 CG TYR A 43 -1.914 7.277 -6.011 1.00 23.05 C ATOM 710 CD1 TYR A 43 -0.590 7.611 -5.722 1.00 34.12 C ATOM 711 CD2 TYR A 43 -2.859 8.310 -6.004 1.00 12.43 C ATOM 712 CE1 TYR A 43 -0.228 8.913 -5.434 1.00 62.35 C ATOM 713 CE2 TYR A 43 -2.494 9.614 -5.721 1.00 21.12 C ATOM 714 CZ TYR A 43 -1.178 9.908 -5.437 1.00 60.33 C ATOM 715 OH TYR A 43 -0.808 11.207 -5.160 1.00 34.02 O ATOM 0 H TYR A 43 -2.791 3.470 -6.675 1.00 54.34 H new ATOM 0 HA TYR A 43 -1.467 4.855 -4.578 1.00 50.13 H new ATOM 0 HB2 TYR A 43 -1.584 5.428 -7.053 1.00 4.44 H new ATOM 0 HB3 TYR A 43 -3.275 5.842 -6.849 1.00 4.44 H new ATOM 0 HD1 TYR A 43 0.165 6.838 -5.724 1.00 34.12 H new ATOM 0 HD2 TYR A 43 -3.892 8.085 -6.224 1.00 12.43 H new ATOM 0 HE1 TYR A 43 0.801 9.150 -5.207 1.00 62.35 H new ATOM 0 HE2 TYR A 43 -3.237 10.398 -5.723 1.00 21.12 H new ATOM 0 HH TYR A 43 -1.596 11.788 -5.204 1.00 34.02 H new ATOM 725 N ARG A 44 -4.784 5.068 -4.500 1.00 50.41 N ATOM 726 CA ARG A 44 -5.964 5.460 -3.682 1.00 71.13 C ATOM 727 C ARG A 44 -6.091 4.613 -2.391 1.00 53.54 C ATOM 728 O ARG A 44 -6.428 5.132 -1.319 1.00 64.24 O ATOM 729 CB ARG A 44 -7.267 5.338 -4.524 1.00 72.01 C ATOM 730 CG ARG A 44 -7.358 6.322 -5.713 1.00 0.30 C ATOM 731 CD ARG A 44 -8.582 6.066 -6.614 1.00 25.45 C ATOM 732 NE ARG A 44 -9.865 6.204 -5.894 1.00 60.23 N ATOM 733 CZ ARG A 44 -11.053 5.980 -6.405 1.00 51.42 C ATOM 734 NH1 ARG A 44 -11.200 5.583 -7.627 1.00 33.33 N ATOM 735 NH2 ARG A 44 -12.100 6.146 -5.671 1.00 2.42 N ATOM 0 H ARG A 44 -5.032 4.593 -5.368 1.00 50.41 H new ATOM 0 HA ARG A 44 -5.816 6.497 -3.382 1.00 71.13 H new ATOM 0 HB2 ARG A 44 -7.344 4.320 -4.905 1.00 72.01 H new ATOM 0 HB3 ARG A 44 -8.124 5.499 -3.869 1.00 72.01 H new ATOM 0 HG2 ARG A 44 -7.402 7.342 -5.331 1.00 0.30 H new ATOM 0 HG3 ARG A 44 -6.450 6.245 -6.312 1.00 0.30 H new ATOM 0 HD2 ARG A 44 -8.564 6.765 -7.450 1.00 25.45 H new ATOM 0 HD3 ARG A 44 -8.513 5.063 -7.035 1.00 25.45 H new ATOM 0 HE ARG A 44 -9.824 6.498 -4.918 1.00 60.23 H new ATOM 0 HH11 ARG A 44 -10.381 5.437 -8.218 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -12.135 5.416 -8.000 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -12.001 6.449 -4.702 1.00 2.42 H new ATOM 0 HH22 ARG A 44 -13.027 5.974 -6.059 1.00 2.42 H new ATOM 749 N LEU A 45 -5.833 3.305 -2.512 1.00 3.43 N ATOM 750 CA LEU A 45 -5.964 2.349 -1.388 1.00 32.54 C ATOM 751 C LEU A 45 -4.771 2.467 -0.395 1.00 42.23 C ATOM 752 O LEU A 45 -4.953 2.337 0.816 1.00 12.21 O ATOM 753 CB LEU A 45 -6.089 0.915 -1.944 1.00 40.13 C ATOM 754 CG LEU A 45 -7.273 0.652 -2.939 1.00 73.10 C ATOM 755 CD1 LEU A 45 -7.182 -0.759 -3.560 1.00 62.01 C ATOM 756 CD2 LEU A 45 -8.647 0.889 -2.271 1.00 12.44 C ATOM 0 H LEU A 45 -5.528 2.874 -3.385 1.00 3.43 H new ATOM 0 HA LEU A 45 -6.866 2.592 -0.827 1.00 32.54 H new ATOM 0 HB2 LEU A 45 -5.157 0.662 -2.449 1.00 40.13 H new ATOM 0 HB3 LEU A 45 -6.192 0.230 -1.102 1.00 40.13 H new ATOM 0 HG LEU A 45 -7.181 1.375 -3.749 1.00 73.10 H new ATOM 0 HD11 LEU A 45 -8.017 -0.910 -4.245 1.00 62.01 H new ATOM 0 HD12 LEU A 45 -6.243 -0.857 -4.105 1.00 62.01 H new ATOM 0 HD13 LEU A 45 -7.222 -1.508 -2.769 1.00 62.01 H new ATOM 0 HD21 LEU A 45 -9.441 0.696 -2.993 1.00 12.44 H new ATOM 0 HD22 LEU A 45 -8.759 0.216 -1.421 1.00 12.44 H new ATOM 0 HD23 LEU A 45 -8.711 1.922 -1.928 1.00 12.44 H new ATOM 768 N VAL A 46 -3.557 2.719 -0.933 1.00 71.13 N ATOM 769 CA VAL A 46 -2.339 3.025 -0.124 1.00 2.32 C ATOM 770 C VAL A 46 -2.473 4.399 0.592 1.00 12.02 C ATOM 771 O VAL A 46 -1.968 4.583 1.708 1.00 24.41 O ATOM 772 CB VAL A 46 -1.028 2.964 -1.011 1.00 60.52 C ATOM 773 CG1 VAL A 46 0.200 3.594 -0.309 1.00 64.13 C ATOM 774 CG2 VAL A 46 -0.719 1.497 -1.428 1.00 64.42 C ATOM 0 H VAL A 46 -3.386 2.718 -1.939 1.00 71.13 H new ATOM 0 HA VAL A 46 -2.250 2.257 0.645 1.00 2.32 H new ATOM 0 HB VAL A 46 -1.224 3.559 -1.903 1.00 60.52 H new ATOM 0 HG11 VAL A 46 1.069 3.524 -0.963 1.00 64.13 H new ATOM 0 HG12 VAL A 46 -0.005 4.642 -0.089 1.00 64.13 H new ATOM 0 HG13 VAL A 46 0.401 3.061 0.620 1.00 64.13 H new ATOM 0 HG21 VAL A 46 0.185 1.474 -2.037 1.00 64.42 H new ATOM 0 HG22 VAL A 46 -0.571 0.889 -0.536 1.00 64.42 H new ATOM 0 HG23 VAL A 46 -1.554 1.099 -2.004 1.00 64.42 H new ATOM 784 N HIS A 47 -3.178 5.350 -0.059 1.00 20.44 N ATOM 785 CA HIS A 47 -3.582 6.637 0.562 1.00 1.52 C ATOM 786 C HIS A 47 -4.404 6.385 1.857 1.00 15.02 C ATOM 787 O HIS A 47 -4.214 7.072 2.868 1.00 30.40 O ATOM 788 CB HIS A 47 -4.399 7.472 -0.463 1.00 45.14 C ATOM 789 CG HIS A 47 -4.965 8.770 0.059 1.00 72.43 C ATOM 790 ND1 HIS A 47 -4.422 10.007 0.147 1.00 32.44 N flip ATOM 791 CD2 HIS A 47 -6.254 8.895 0.535 1.00 4.22 C flip ATOM 792 CE1 HIS A 47 -5.382 10.834 0.663 1.00 72.02 C flip ATOM 793 NE2 HIS A 47 -6.475 10.142 0.884 1.00 75.11 N flip ATOM 0 H HIS A 47 -3.484 5.251 -1.027 1.00 20.44 H new ATOM 0 HA HIS A 47 -2.690 7.197 0.841 1.00 1.52 H new ATOM 0 HB2 HIS A 47 -3.759 7.693 -1.317 1.00 45.14 H new ATOM 0 HB3 HIS A 47 -5.222 6.859 -0.831 1.00 45.14 H new ATOM 0 HD2 HIS A 47 -6.971 8.091 0.609 1.00 4.22 H new ATOM 0 HE1 HIS A 47 -5.260 11.889 0.858 1.00 72.02 H new ATOM 0 HE2 HIS A 47 -7.348 10.510 1.262 1.00 75.11 H new ATOM 802 N THR A 48 -5.288 5.360 1.810 1.00 70.41 N ATOM 803 CA THR A 48 -6.091 4.937 2.976 1.00 24.12 C ATOM 804 C THR A 48 -5.204 4.241 4.043 1.00 12.13 C ATOM 805 O THR A 48 -5.356 4.504 5.233 1.00 54.43 O ATOM 806 CB THR A 48 -7.279 4.006 2.558 1.00 64.22 C ATOM 807 OG1 THR A 48 -8.138 4.709 1.647 1.00 71.31 O ATOM 808 CG2 THR A 48 -8.115 3.525 3.764 1.00 70.04 C ATOM 0 H THR A 48 -5.462 4.809 0.969 1.00 70.41 H new ATOM 0 HA THR A 48 -6.516 5.839 3.416 1.00 24.12 H new ATOM 0 HB THR A 48 -6.844 3.125 2.086 1.00 64.22 H new ATOM 0 HG1 THR A 48 -8.881 4.127 1.383 1.00 71.31 H new ATOM 0 HG21 THR A 48 -8.924 2.884 3.414 1.00 70.04 H new ATOM 0 HG22 THR A 48 -7.478 2.964 4.448 1.00 70.04 H new ATOM 0 HG23 THR A 48 -8.534 4.387 4.283 1.00 70.04 H new ATOM 816 N MET A 49 -4.261 3.376 3.605 1.00 42.12 N ATOM 817 CA MET A 49 -3.293 2.700 4.522 1.00 4.43 C ATOM 818 C MET A 49 -2.470 3.723 5.343 1.00 61.02 C ATOM 819 O MET A 49 -2.248 3.533 6.544 1.00 50.43 O ATOM 820 CB MET A 49 -2.316 1.801 3.723 1.00 43.13 C ATOM 821 CG MET A 49 -2.976 0.659 2.967 1.00 43.22 C ATOM 822 SD MET A 49 -1.790 -0.301 2.011 1.00 41.21 S ATOM 823 CE MET A 49 -2.868 -1.514 1.267 1.00 10.31 C ATOM 0 H MET A 49 -4.144 3.125 2.623 1.00 42.12 H new ATOM 0 HA MET A 49 -3.882 2.090 5.207 1.00 4.43 H new ATOM 0 HB2 MET A 49 -1.771 2.422 3.012 1.00 43.13 H new ATOM 0 HB3 MET A 49 -1.581 1.385 4.412 1.00 43.13 H new ATOM 0 HG2 MET A 49 -3.485 0.004 3.674 1.00 43.22 H new ATOM 0 HG3 MET A 49 -3.738 1.060 2.299 1.00 43.22 H new ATOM 0 HE1 MET A 49 -2.290 -2.154 0.600 1.00 10.31 H new ATOM 0 HE2 MET A 49 -3.325 -2.122 2.048 1.00 10.31 H new ATOM 0 HE3 MET A 49 -3.648 -1.008 0.699 1.00 10.31 H new ATOM 833 N LYS A 50 -2.045 4.802 4.659 1.00 24.54 N ATOM 834 CA LYS A 50 -1.244 5.881 5.263 1.00 54.22 C ATOM 835 C LYS A 50 -2.016 6.573 6.405 1.00 25.14 C ATOM 836 O LYS A 50 -1.529 6.641 7.528 1.00 75.30 O ATOM 837 CB LYS A 50 -0.848 6.926 4.191 1.00 42.55 C ATOM 838 CG LYS A 50 0.097 8.044 4.707 1.00 61.21 C ATOM 839 CD LYS A 50 0.447 9.086 3.620 1.00 35.13 C ATOM 840 CE LYS A 50 -0.784 9.862 3.107 1.00 60.32 C ATOM 841 NZ LYS A 50 -1.440 10.660 4.173 1.00 51.32 N ATOM 0 H LYS A 50 -2.248 4.949 3.670 1.00 24.54 H new ATOM 0 HA LYS A 50 -0.341 5.433 5.677 1.00 54.22 H new ATOM 0 HB2 LYS A 50 -0.364 6.412 3.361 1.00 42.55 H new ATOM 0 HB3 LYS A 50 -1.754 7.386 3.796 1.00 42.55 H new ATOM 0 HG2 LYS A 50 -0.374 8.550 5.550 1.00 61.21 H new ATOM 0 HG3 LYS A 50 1.016 7.592 5.079 1.00 61.21 H new ATOM 0 HD2 LYS A 50 1.173 9.793 4.023 1.00 35.13 H new ATOM 0 HD3 LYS A 50 0.926 8.581 2.781 1.00 35.13 H new ATOM 0 HE2 LYS A 50 -0.479 10.525 2.297 1.00 60.32 H new ATOM 0 HE3 LYS A 50 -1.504 9.159 2.689 1.00 60.32 H new ATOM 0 HZ1 LYS A 50 -2.325 11.066 3.808 1.00 51.32 H new ATOM 0 HZ2 LYS A 50 -1.650 10.047 4.986 1.00 51.32 H new ATOM 0 HZ3 LYS A 50 -0.805 11.427 4.473 1.00 51.32 H new ATOM 855 N GLU A 51 -3.242 7.040 6.107 1.00 75.52 N ATOM 856 CA GLU A 51 -4.081 7.763 7.097 1.00 51.32 C ATOM 857 C GLU A 51 -4.500 6.865 8.291 1.00 42.33 C ATOM 858 O GLU A 51 -4.675 7.371 9.398 1.00 73.14 O ATOM 859 CB GLU A 51 -5.309 8.428 6.420 1.00 71.20 C ATOM 860 CG GLU A 51 -6.286 7.467 5.729 1.00 13.52 C ATOM 861 CD GLU A 51 -7.353 8.187 4.891 1.00 30.32 C ATOM 862 OE1 GLU A 51 -8.348 8.669 5.471 1.00 63.12 O ATOM 863 OE2 GLU A 51 -7.180 8.306 3.649 1.00 2.25 O ATOM 0 H GLU A 51 -3.679 6.933 5.192 1.00 75.52 H new ATOM 0 HA GLU A 51 -3.462 8.558 7.513 1.00 51.32 H new ATOM 0 HB2 GLU A 51 -5.856 8.993 7.175 1.00 71.20 H new ATOM 0 HB3 GLU A 51 -4.950 9.146 5.682 1.00 71.20 H new ATOM 0 HG2 GLU A 51 -5.725 6.789 5.086 1.00 13.52 H new ATOM 0 HG3 GLU A 51 -6.779 6.855 6.484 1.00 13.52 H new ATOM 870 N ILE A 52 -4.651 5.539 8.058 1.00 15.13 N ATOM 871 CA ILE A 52 -4.893 4.552 9.149 1.00 54.32 C ATOM 872 C ILE A 52 -3.720 4.554 10.175 1.00 62.05 C ATOM 873 O ILE A 52 -3.940 4.767 11.377 1.00 45.14 O ATOM 874 CB ILE A 52 -5.127 3.086 8.581 1.00 15.40 C ATOM 875 CG1 ILE A 52 -6.454 3.016 7.748 1.00 11.43 C ATOM 876 CG2 ILE A 52 -5.127 2.012 9.711 1.00 52.41 C ATOM 877 CD1 ILE A 52 -6.713 1.676 7.060 1.00 55.04 C ATOM 0 H ILE A 52 -4.610 5.124 7.127 1.00 15.13 H new ATOM 0 HA ILE A 52 -5.805 4.860 9.661 1.00 54.32 H new ATOM 0 HB ILE A 52 -4.290 2.860 7.921 1.00 15.40 H new ATOM 0 HG12 ILE A 52 -7.292 3.236 8.409 1.00 11.43 H new ATOM 0 HG13 ILE A 52 -6.431 3.799 6.990 1.00 11.43 H new ATOM 0 HG21 ILE A 52 -5.290 1.026 9.276 1.00 52.41 H new ATOM 0 HG22 ILE A 52 -4.167 2.027 10.227 1.00 52.41 H new ATOM 0 HG23 ILE A 52 -5.924 2.231 10.422 1.00 52.41 H new ATOM 0 HD11 ILE A 52 -7.652 1.725 6.509 1.00 55.04 H new ATOM 0 HD12 ILE A 52 -5.899 1.458 6.369 1.00 55.04 H new ATOM 0 HD13 ILE A 52 -6.773 0.887 7.810 1.00 55.04 H new ATOM 889 N THR A 53 -2.480 4.344 9.685 1.00 24.13 N ATOM 890 CA THR A 53 -1.269 4.293 10.553 1.00 24.31 C ATOM 891 C THR A 53 -0.914 5.675 11.176 1.00 1.44 C ATOM 892 O THR A 53 -0.338 5.727 12.270 1.00 60.21 O ATOM 893 CB THR A 53 -0.015 3.686 9.826 1.00 40.42 C ATOM 894 OG1 THR A 53 1.129 3.769 10.659 1.00 21.10 O ATOM 895 CG2 THR A 53 0.308 4.367 8.501 1.00 42.14 C ATOM 0 H THR A 53 -2.284 4.206 8.694 1.00 24.13 H new ATOM 0 HA THR A 53 -1.538 3.618 11.365 1.00 24.31 H new ATOM 0 HB THR A 53 -0.272 2.648 9.615 1.00 40.42 H new ATOM 0 HG1 THR A 53 1.540 4.653 10.563 1.00 21.10 H new ATOM 0 HG21 THR A 53 1.184 3.897 8.055 1.00 42.14 H new ATOM 0 HG22 THR A 53 -0.541 4.268 7.825 1.00 42.14 H new ATOM 0 HG23 THR A 53 0.512 5.424 8.675 1.00 42.14 H new ATOM 903 N GLU A 54 -1.261 6.788 10.485 1.00 4.03 N ATOM 904 CA GLU A 54 -1.117 8.167 11.049 1.00 60.24 C ATOM 905 C GLU A 54 -1.990 8.343 12.306 1.00 41.24 C ATOM 906 O GLU A 54 -1.549 8.894 13.326 1.00 51.21 O ATOM 907 CB GLU A 54 -1.519 9.246 10.016 1.00 52.11 C ATOM 908 CG GLU A 54 -0.594 9.325 8.790 1.00 51.12 C ATOM 909 CD GLU A 54 -0.944 10.478 7.840 1.00 13.45 C ATOM 910 OE1 GLU A 54 -1.779 10.285 6.927 1.00 75.10 O ATOM 911 OE2 GLU A 54 -0.389 11.585 8.007 1.00 73.13 O ATOM 0 H GLU A 54 -1.642 6.766 9.539 1.00 4.03 H new ATOM 0 HA GLU A 54 -0.066 8.292 11.309 1.00 60.24 H new ATOM 0 HB2 GLU A 54 -2.536 9.047 9.677 1.00 52.11 H new ATOM 0 HB3 GLU A 54 -1.532 10.218 10.510 1.00 52.11 H new ATOM 0 HG2 GLU A 54 0.436 9.441 9.127 1.00 51.12 H new ATOM 0 HG3 GLU A 54 -0.646 8.384 8.243 1.00 51.12 H new ATOM 918 N THR A 55 -3.233 7.860 12.196 1.00 64.31 N ATOM 919 CA THR A 55 -4.217 7.877 13.290 1.00 72.03 C ATOM 920 C THR A 55 -3.765 6.958 14.459 1.00 64.54 C ATOM 921 O THR A 55 -4.005 7.258 15.633 1.00 55.01 O ATOM 922 CB THR A 55 -5.622 7.441 12.755 1.00 3.00 C ATOM 923 OG1 THR A 55 -5.987 8.257 11.622 1.00 11.10 O ATOM 924 CG2 THR A 55 -6.712 7.579 13.815 1.00 42.45 C ATOM 0 H THR A 55 -3.590 7.442 11.337 1.00 64.31 H new ATOM 0 HA THR A 55 -4.289 8.894 13.674 1.00 72.03 H new ATOM 0 HB THR A 55 -5.544 6.391 12.473 1.00 3.00 H new ATOM 0 HG1 THR A 55 -5.514 7.939 10.824 1.00 11.10 H new ATOM 0 HG21 THR A 55 -7.668 7.265 13.397 1.00 42.45 H new ATOM 0 HG22 THR A 55 -6.467 6.952 14.672 1.00 42.45 H new ATOM 0 HG23 THR A 55 -6.780 8.619 14.134 1.00 42.45 H new ATOM 932 N MET A 56 -3.078 5.848 14.110 1.00 64.44 N ATOM 933 CA MET A 56 -2.459 4.923 15.095 1.00 53.50 C ATOM 934 C MET A 56 -1.153 5.505 15.719 1.00 12.13 C ATOM 935 O MET A 56 -0.604 4.928 16.665 1.00 74.41 O ATOM 936 CB MET A 56 -2.174 3.546 14.431 1.00 45.23 C ATOM 937 CG MET A 56 -3.426 2.742 14.047 1.00 32.21 C ATOM 938 SD MET A 56 -3.017 1.124 13.351 1.00 3.04 S ATOM 939 CE MET A 56 -4.634 0.354 13.230 1.00 40.53 C ATOM 0 H MET A 56 -2.935 5.565 13.140 1.00 64.44 H new ATOM 0 HA MET A 56 -3.172 4.793 15.909 1.00 53.50 H new ATOM 0 HB2 MET A 56 -1.575 3.708 13.535 1.00 45.23 H new ATOM 0 HB3 MET A 56 -1.571 2.948 15.114 1.00 45.23 H new ATOM 0 HG2 MET A 56 -4.053 2.608 14.928 1.00 32.21 H new ATOM 0 HG3 MET A 56 -4.011 3.309 13.323 1.00 32.21 H new ATOM 0 HE1 MET A 56 -4.529 -0.649 12.816 1.00 40.53 H new ATOM 0 HE2 MET A 56 -5.083 0.292 14.221 1.00 40.53 H new ATOM 0 HE3 MET A 56 -5.273 0.950 12.579 1.00 40.53 H new ATOM 949 N GLY A 57 -0.657 6.637 15.165 1.00 61.43 N ATOM 950 CA GLY A 57 0.512 7.357 15.717 1.00 14.21 C ATOM 951 C GLY A 57 1.859 6.923 15.119 1.00 40.30 C ATOM 952 O GLY A 57 2.908 7.469 15.483 1.00 2.33 O ATOM 0 H GLY A 57 -1.052 7.072 14.331 1.00 61.43 H new ATOM 0 HA2 GLY A 57 0.380 8.426 15.548 1.00 14.21 H new ATOM 0 HA3 GLY A 57 0.541 7.206 16.796 1.00 14.21 H new ATOM 956 N PHE A 58 1.829 5.950 14.194 1.00 70.14 N ATOM 957 CA PHE A 58 3.034 5.403 13.543 1.00 52.33 C ATOM 958 C PHE A 58 3.417 6.247 12.301 1.00 3.15 C ATOM 959 O PHE A 58 3.036 5.931 11.166 1.00 45.14 O ATOM 960 CB PHE A 58 2.776 3.921 13.172 1.00 61.11 C ATOM 961 CG PHE A 58 2.553 3.004 14.371 1.00 53.43 C ATOM 962 CD1 PHE A 58 3.616 2.609 15.178 1.00 41.23 C ATOM 963 CD2 PHE A 58 1.274 2.554 14.701 1.00 42.04 C ATOM 964 CE1 PHE A 58 3.404 1.794 16.277 1.00 74.31 C ATOM 965 CE2 PHE A 58 1.062 1.745 15.799 1.00 75.33 C ATOM 966 CZ PHE A 58 2.128 1.364 16.588 1.00 51.33 C ATOM 0 H PHE A 58 0.963 5.517 13.874 1.00 70.14 H new ATOM 0 HA PHE A 58 3.879 5.450 14.230 1.00 52.33 H new ATOM 0 HB2 PHE A 58 1.903 3.868 12.521 1.00 61.11 H new ATOM 0 HB3 PHE A 58 3.625 3.549 12.598 1.00 61.11 H new ATOM 0 HD1 PHE A 58 4.617 2.942 14.944 1.00 41.23 H new ATOM 0 HD2 PHE A 58 0.435 2.844 14.086 1.00 42.04 H new ATOM 0 HE1 PHE A 58 4.238 1.493 16.893 1.00 74.31 H new ATOM 0 HE2 PHE A 58 0.064 1.411 16.040 1.00 75.33 H new ATOM 0 HZ PHE A 58 1.965 0.731 17.447 1.00 51.33 H new ATOM 976 N SER A 59 4.154 7.347 12.543 1.00 11.33 N ATOM 977 CA SER A 59 4.674 8.233 11.468 1.00 64.05 C ATOM 978 C SER A 59 5.767 7.523 10.632 1.00 2.11 C ATOM 979 O SER A 59 5.975 7.846 9.462 1.00 64.40 O ATOM 980 CB SER A 59 5.246 9.542 12.070 1.00 74.33 C ATOM 981 OG SER A 59 4.260 10.264 12.791 1.00 22.51 O ATOM 0 H SER A 59 4.409 7.651 13.483 1.00 11.33 H new ATOM 0 HA SER A 59 3.839 8.475 10.810 1.00 64.05 H new ATOM 0 HB2 SER A 59 6.079 9.304 12.731 1.00 74.33 H new ATOM 0 HB3 SER A 59 5.642 10.167 11.270 1.00 74.33 H new ATOM 0 HG SER A 59 4.656 11.082 13.158 1.00 22.51 H new ATOM 987 N SER A 60 6.453 6.560 11.267 1.00 14.33 N ATOM 988 CA SER A 60 7.506 5.726 10.641 1.00 51.52 C ATOM 989 C SER A 60 6.922 4.766 9.575 1.00 34.00 C ATOM 990 O SER A 60 7.534 4.544 8.522 1.00 42.23 O ATOM 991 CB SER A 60 8.222 4.914 11.740 1.00 4.14 C ATOM 992 OG SER A 60 7.281 4.154 12.483 1.00 65.32 O ATOM 0 H SER A 60 6.293 6.330 12.248 1.00 14.33 H new ATOM 0 HA SER A 60 8.211 6.386 10.136 1.00 51.52 H new ATOM 0 HB2 SER A 60 8.960 4.251 11.289 1.00 4.14 H new ATOM 0 HB3 SER A 60 8.762 5.587 12.405 1.00 4.14 H new ATOM 0 HG SER A 60 7.748 3.642 13.176 1.00 65.32 H new ATOM 998 N VAL A 61 5.747 4.179 9.876 1.00 33.42 N ATOM 999 CA VAL A 61 5.010 3.323 8.917 1.00 64.31 C ATOM 1000 C VAL A 61 4.369 4.192 7.809 1.00 43.34 C ATOM 1001 O VAL A 61 4.475 3.870 6.623 1.00 74.24 O ATOM 1002 CB VAL A 61 3.910 2.458 9.628 1.00 41.24 C ATOM 1003 CG1 VAL A 61 3.203 1.495 8.632 1.00 33.03 C ATOM 1004 CG2 VAL A 61 4.502 1.681 10.825 1.00 42.12 C ATOM 0 H VAL A 61 5.284 4.281 10.779 1.00 33.42 H new ATOM 0 HA VAL A 61 5.730 2.638 8.470 1.00 64.31 H new ATOM 0 HB VAL A 61 3.154 3.144 10.011 1.00 41.24 H new ATOM 0 HG11 VAL A 61 2.448 0.913 9.162 1.00 33.03 H new ATOM 0 HG12 VAL A 61 2.726 2.075 7.842 1.00 33.03 H new ATOM 0 HG13 VAL A 61 3.939 0.821 8.193 1.00 33.03 H new ATOM 0 HG21 VAL A 61 3.718 1.090 11.299 1.00 42.12 H new ATOM 0 HG22 VAL A 61 5.293 1.019 10.473 1.00 42.12 H new ATOM 0 HG23 VAL A 61 4.913 2.385 11.548 1.00 42.12 H new ATOM 1014 N ALA A 62 3.736 5.320 8.219 1.00 4.22 N ATOM 1015 CA ALA A 62 3.145 6.318 7.282 1.00 53.43 C ATOM 1016 C ALA A 62 4.185 6.846 6.277 1.00 52.05 C ATOM 1017 O ALA A 62 3.841 7.167 5.147 1.00 70.04 O ATOM 1018 CB ALA A 62 2.521 7.496 8.043 1.00 55.10 C ATOM 0 H ALA A 62 3.619 5.566 9.202 1.00 4.22 H new ATOM 0 HA ALA A 62 2.363 5.799 6.728 1.00 53.43 H new ATOM 0 HB1 ALA A 62 2.099 8.206 7.332 1.00 55.10 H new ATOM 0 HB2 ALA A 62 1.733 7.128 8.700 1.00 55.10 H new ATOM 0 HB3 ALA A 62 3.288 7.992 8.639 1.00 55.10 H new ATOM 1024 N LYS A 63 5.450 6.940 6.733 1.00 20.53 N ATOM 1025 CA LYS A 63 6.614 7.282 5.889 1.00 61.01 C ATOM 1026 C LYS A 63 6.766 6.283 4.717 1.00 75.32 C ATOM 1027 O LYS A 63 6.847 6.694 3.558 1.00 24.32 O ATOM 1028 CB LYS A 63 7.897 7.293 6.763 1.00 45.54 C ATOM 1029 CG LYS A 63 9.218 7.585 6.015 1.00 13.34 C ATOM 1030 CD LYS A 63 10.447 7.455 6.949 1.00 3.33 C ATOM 1031 CE LYS A 63 11.781 7.746 6.239 1.00 11.14 C ATOM 1032 NZ LYS A 63 11.849 9.142 5.736 1.00 73.21 N ATOM 0 H LYS A 63 5.696 6.779 7.710 1.00 20.53 H new ATOM 0 HA LYS A 63 6.458 8.272 5.460 1.00 61.01 H new ATOM 0 HB2 LYS A 63 7.773 8.039 7.548 1.00 45.54 H new ATOM 0 HB3 LYS A 63 7.987 6.325 7.256 1.00 45.54 H new ATOM 0 HG2 LYS A 63 9.322 6.894 5.178 1.00 13.34 H new ATOM 0 HG3 LYS A 63 9.184 8.591 5.596 1.00 13.34 H new ATOM 0 HD2 LYS A 63 10.332 8.141 7.788 1.00 3.33 H new ATOM 0 HD3 LYS A 63 10.476 6.447 7.363 1.00 3.33 H new ATOM 0 HE2 LYS A 63 12.606 7.569 6.929 1.00 11.14 H new ATOM 0 HE3 LYS A 63 11.908 7.054 5.407 1.00 11.14 H new ATOM 0 HZ1 LYS A 63 12.804 9.333 5.371 1.00 73.21 H new ATOM 0 HZ2 LYS A 63 11.154 9.270 4.973 1.00 73.21 H new ATOM 0 HZ3 LYS A 63 11.636 9.801 6.512 1.00 73.21 H new ATOM 1046 N VAL A 64 6.762 4.971 5.042 1.00 11.22 N ATOM 1047 CA VAL A 64 6.906 3.879 4.042 1.00 32.44 C ATOM 1048 C VAL A 64 5.756 3.908 2.999 1.00 62.24 C ATOM 1049 O VAL A 64 5.993 3.761 1.804 1.00 1.23 O ATOM 1050 CB VAL A 64 6.956 2.463 4.741 1.00 72.50 C ATOM 1051 CG1 VAL A 64 7.128 1.314 3.707 1.00 42.21 C ATOM 1052 CG2 VAL A 64 8.073 2.411 5.815 1.00 64.51 C ATOM 0 H VAL A 64 6.660 4.636 6.000 1.00 11.22 H new ATOM 0 HA VAL A 64 7.850 4.047 3.523 1.00 32.44 H new ATOM 0 HB VAL A 64 5.997 2.314 5.238 1.00 72.50 H new ATOM 0 HG11 VAL A 64 7.158 0.357 4.228 1.00 42.21 H new ATOM 0 HG12 VAL A 64 6.289 1.322 3.011 1.00 42.21 H new ATOM 0 HG13 VAL A 64 8.058 1.456 3.156 1.00 42.21 H new ATOM 0 HG21 VAL A 64 8.085 1.425 6.280 1.00 64.51 H new ATOM 0 HG22 VAL A 64 9.038 2.603 5.346 1.00 64.51 H new ATOM 0 HG23 VAL A 64 7.882 3.169 6.575 1.00 64.51 H new ATOM 1062 N LEU A 65 4.518 4.120 3.468 1.00 44.01 N ATOM 1063 CA LEU A 65 3.329 4.223 2.583 1.00 44.43 C ATOM 1064 C LEU A 65 3.343 5.537 1.765 1.00 54.31 C ATOM 1065 O LEU A 65 2.876 5.570 0.625 1.00 40.15 O ATOM 1066 CB LEU A 65 2.009 4.089 3.409 1.00 11.54 C ATOM 1067 CG LEU A 65 1.623 2.643 3.881 1.00 63.55 C ATOM 1068 CD1 LEU A 65 1.352 1.716 2.677 1.00 41.14 C ATOM 1069 CD2 LEU A 65 2.694 2.041 4.807 1.00 51.33 C ATOM 0 H LEU A 65 4.304 4.225 4.460 1.00 44.01 H new ATOM 0 HA LEU A 65 3.371 3.397 1.874 1.00 44.43 H new ATOM 0 HB2 LEU A 65 2.092 4.725 4.290 1.00 11.54 H new ATOM 0 HB3 LEU A 65 1.189 4.482 2.808 1.00 11.54 H new ATOM 0 HG LEU A 65 0.701 2.728 4.457 1.00 63.55 H new ATOM 0 HD11 LEU A 65 1.087 0.721 3.036 1.00 41.14 H new ATOM 0 HD12 LEU A 65 0.530 2.119 2.085 1.00 41.14 H new ATOM 0 HD13 LEU A 65 2.247 1.652 2.058 1.00 41.14 H new ATOM 0 HD21 LEU A 65 2.390 1.040 5.112 1.00 51.33 H new ATOM 0 HD22 LEU A 65 3.644 1.986 4.276 1.00 51.33 H new ATOM 0 HD23 LEU A 65 2.807 2.670 5.690 1.00 51.33 H new ATOM 1081 N HIS A 66 3.925 6.601 2.350 1.00 15.53 N ATOM 1082 CA HIS A 66 4.051 7.925 1.700 1.00 13.21 C ATOM 1083 C HIS A 66 5.080 7.877 0.547 1.00 72.42 C ATOM 1084 O HIS A 66 4.959 8.629 -0.430 1.00 12.21 O ATOM 1085 CB HIS A 66 4.442 8.995 2.747 1.00 74.14 C ATOM 1086 CG HIS A 66 4.327 10.413 2.265 1.00 11.51 C ATOM 1087 ND1 HIS A 66 5.357 11.098 1.656 1.00 11.22 N ATOM 1088 CD2 HIS A 66 3.290 11.282 2.322 1.00 32.55 C ATOM 1089 CE1 HIS A 66 4.961 12.314 1.358 1.00 72.32 C ATOM 1090 NE2 HIS A 66 3.713 12.454 1.751 1.00 4.30 N ATOM 0 H HIS A 66 4.323 6.569 3.289 1.00 15.53 H new ATOM 0 HA HIS A 66 3.086 8.196 1.271 1.00 13.21 H new ATOM 0 HB2 HIS A 66 3.810 8.872 3.627 1.00 74.14 H new ATOM 0 HB3 HIS A 66 5.469 8.815 3.065 1.00 74.14 H new ATOM 0 HD2 HIS A 66 2.313 11.088 2.739 1.00 32.55 H new ATOM 0 HE1 HIS A 66 5.559 13.071 0.872 1.00 72.32 H new ATOM 0 HE2 HIS A 66 3.151 13.299 1.647 1.00 4.30 H new ATOM 1099 N THR A 67 6.092 6.981 0.662 1.00 13.01 N ATOM 1100 CA THR A 67 7.094 6.792 -0.424 1.00 34.04 C ATOM 1101 C THR A 67 6.446 6.110 -1.641 1.00 21.20 C ATOM 1102 O THR A 67 6.895 6.301 -2.770 1.00 30.22 O ATOM 1103 CB THR A 67 8.347 5.940 -0.010 1.00 63.10 C ATOM 1104 OG1 THR A 67 7.997 4.559 0.146 1.00 0.40 O ATOM 1105 CG2 THR A 67 8.989 6.434 1.285 1.00 33.00 C ATOM 0 H THR A 67 6.237 6.387 1.478 1.00 13.01 H new ATOM 0 HA THR A 67 7.441 7.798 -0.660 1.00 34.04 H new ATOM 0 HB THR A 67 9.071 6.054 -0.817 1.00 63.10 H new ATOM 0 HG1 THR A 67 7.257 4.479 0.783 1.00 0.40 H new ATOM 0 HG21 THR A 67 9.850 5.810 1.525 1.00 33.00 H new ATOM 0 HG22 THR A 67 9.313 7.467 1.159 1.00 33.00 H new ATOM 0 HG23 THR A 67 8.263 6.377 2.096 1.00 33.00 H new ATOM 1113 N ILE A 68 5.370 5.326 -1.392 1.00 45.32 N ATOM 1114 CA ILE A 68 4.663 4.577 -2.442 1.00 3.15 C ATOM 1115 C ILE A 68 3.788 5.550 -3.242 1.00 60.31 C ATOM 1116 O ILE A 68 3.622 5.413 -4.446 1.00 41.22 O ATOM 1117 CB ILE A 68 3.791 3.407 -1.843 1.00 1.11 C ATOM 1118 CG1 ILE A 68 4.627 2.541 -0.841 1.00 44.02 C ATOM 1119 CG2 ILE A 68 3.167 2.531 -2.958 1.00 73.02 C ATOM 1120 CD1 ILE A 68 5.996 2.106 -1.344 1.00 31.41 C ATOM 0 H ILE A 68 4.974 5.200 -0.460 1.00 45.32 H new ATOM 0 HA ILE A 68 5.401 4.116 -3.099 1.00 3.15 H new ATOM 0 HB ILE A 68 2.968 3.860 -1.290 1.00 1.11 H new ATOM 0 HG12 ILE A 68 4.760 3.108 0.081 1.00 44.02 H new ATOM 0 HG13 ILE A 68 4.051 1.651 -0.588 1.00 44.02 H new ATOM 0 HG21 ILE A 68 2.574 1.736 -2.507 1.00 73.02 H new ATOM 0 HG22 ILE A 68 2.527 3.147 -3.590 1.00 73.02 H new ATOM 0 HG23 ILE A 68 3.961 2.093 -3.563 1.00 73.02 H new ATOM 0 HD11 ILE A 68 6.494 1.512 -0.577 1.00 31.41 H new ATOM 0 HD12 ILE A 68 5.878 1.507 -2.247 1.00 31.41 H new ATOM 0 HD13 ILE A 68 6.598 2.987 -1.569 1.00 31.41 H new ATOM 1132 N MET A 69 3.265 6.561 -2.535 1.00 3.31 N ATOM 1133 CA MET A 69 2.486 7.649 -3.141 1.00 60.44 C ATOM 1134 C MET A 69 3.365 8.460 -4.122 1.00 10.33 C ATOM 1135 O MET A 69 2.969 8.713 -5.253 1.00 34.41 O ATOM 1136 CB MET A 69 1.892 8.558 -2.039 1.00 72.01 C ATOM 1137 CG MET A 69 1.210 7.792 -0.893 1.00 10.41 C ATOM 1138 SD MET A 69 0.056 8.808 0.058 1.00 71.03 S ATOM 1139 CE MET A 69 -1.057 9.399 -1.217 1.00 23.14 C ATOM 0 H MET A 69 3.371 6.647 -1.524 1.00 3.31 H new ATOM 0 HA MET A 69 1.660 7.220 -3.708 1.00 60.44 H new ATOM 0 HB2 MET A 69 2.688 9.176 -1.625 1.00 72.01 H new ATOM 0 HB3 MET A 69 1.167 9.234 -2.492 1.00 72.01 H new ATOM 0 HG2 MET A 69 0.675 6.936 -1.305 1.00 10.41 H new ATOM 0 HG3 MET A 69 1.974 7.398 -0.223 1.00 10.41 H new ATOM 0 HE1 MET A 69 -2.083 9.356 -0.853 1.00 23.14 H new ATOM 0 HE2 MET A 69 -0.805 10.429 -1.471 1.00 23.14 H new ATOM 0 HE3 MET A 69 -0.960 8.772 -2.104 1.00 23.14 H new ATOM 1149 N ASN A 70 4.580 8.815 -3.666 1.00 51.51 N ATOM 1150 CA ASN A 70 5.615 9.480 -4.501 1.00 3.13 C ATOM 1151 C ASN A 70 5.974 8.632 -5.751 1.00 41.44 C ATOM 1152 O ASN A 70 6.021 9.138 -6.875 1.00 74.12 O ATOM 1153 CB ASN A 70 6.887 9.708 -3.641 1.00 52.41 C ATOM 1154 CG ASN A 70 7.994 10.527 -4.323 1.00 4.11 C ATOM 1155 OD1 ASN A 70 9.176 10.281 -4.113 1.00 44.50 O ATOM 1156 ND2 ASN A 70 7.633 11.537 -5.097 1.00 73.44 N ATOM 0 H ASN A 70 4.879 8.651 -2.705 1.00 51.51 H new ATOM 0 HA ASN A 70 5.216 10.432 -4.850 1.00 3.13 H new ATOM 0 HB2 ASN A 70 6.598 10.213 -2.719 1.00 52.41 H new ATOM 0 HB3 ASN A 70 7.295 8.738 -3.359 1.00 52.41 H new ATOM 0 HD21 ASN A 70 8.344 12.126 -5.531 1.00 73.44 H new ATOM 0 HD22 ASN A 70 6.644 11.726 -5.260 1.00 73.44 H new ATOM 1163 N LEU A 71 6.190 7.338 -5.503 1.00 73.24 N ATOM 1164 CA LEU A 71 6.649 6.345 -6.499 1.00 34.41 C ATOM 1165 C LEU A 71 5.616 6.178 -7.657 1.00 51.41 C ATOM 1166 O LEU A 71 5.942 6.371 -8.836 1.00 65.12 O ATOM 1167 CB LEU A 71 6.901 5.003 -5.726 1.00 11.23 C ATOM 1168 CG LEU A 71 7.782 3.902 -6.401 1.00 12.11 C ATOM 1169 CD1 LEU A 71 8.195 2.822 -5.370 1.00 44.35 C ATOM 1170 CD2 LEU A 71 7.076 3.243 -7.607 1.00 2.11 C ATOM 0 H LEU A 71 6.048 6.932 -4.578 1.00 73.24 H new ATOM 0 HA LEU A 71 7.570 6.675 -6.980 1.00 34.41 H new ATOM 0 HB2 LEU A 71 7.360 5.254 -4.770 1.00 11.23 H new ATOM 0 HB3 LEU A 71 5.929 4.560 -5.507 1.00 11.23 H new ATOM 0 HG LEU A 71 8.676 4.399 -6.777 1.00 12.11 H new ATOM 0 HD11 LEU A 71 8.807 2.066 -5.861 1.00 44.35 H new ATOM 0 HD12 LEU A 71 8.767 3.286 -4.566 1.00 44.35 H new ATOM 0 HD13 LEU A 71 7.302 2.353 -4.956 1.00 44.35 H new ATOM 0 HD21 LEU A 71 7.729 2.486 -8.041 1.00 2.11 H new ATOM 0 HD22 LEU A 71 6.149 2.776 -7.275 1.00 2.11 H new ATOM 0 HD23 LEU A 71 6.852 4.002 -8.357 1.00 2.11 H new ATOM 1182 N VAL A 72 4.383 5.811 -7.282 1.00 54.24 N ATOM 1183 CA VAL A 72 3.270 5.555 -8.224 1.00 11.34 C ATOM 1184 C VAL A 72 2.861 6.833 -9.006 1.00 13.33 C ATOM 1185 O VAL A 72 2.628 6.777 -10.216 1.00 35.24 O ATOM 1186 CB VAL A 72 2.030 4.965 -7.458 1.00 3.11 C ATOM 1187 CG1 VAL A 72 0.847 4.726 -8.413 1.00 55.13 C ATOM 1188 CG2 VAL A 72 2.407 3.656 -6.708 1.00 1.21 C ATOM 0 H VAL A 72 4.121 5.680 -6.305 1.00 54.24 H new ATOM 0 HA VAL A 72 3.623 4.825 -8.953 1.00 11.34 H new ATOM 0 HB VAL A 72 1.719 5.702 -6.717 1.00 3.11 H new ATOM 0 HG11 VAL A 72 0.005 4.318 -7.854 1.00 55.13 H new ATOM 0 HG12 VAL A 72 0.554 5.670 -8.873 1.00 55.13 H new ATOM 0 HG13 VAL A 72 1.143 4.021 -9.190 1.00 55.13 H new ATOM 0 HG21 VAL A 72 1.531 3.270 -6.187 1.00 1.21 H new ATOM 0 HG22 VAL A 72 2.759 2.914 -7.425 1.00 1.21 H new ATOM 0 HG23 VAL A 72 3.196 3.865 -5.985 1.00 1.21 H new ATOM 1198 N ASP A 73 2.807 7.982 -8.296 1.00 12.45 N ATOM 1199 CA ASP A 73 2.485 9.306 -8.893 1.00 31.04 C ATOM 1200 C ASP A 73 3.467 9.671 -10.048 1.00 71.41 C ATOM 1201 O ASP A 73 3.089 10.357 -11.006 1.00 63.24 O ATOM 1202 CB ASP A 73 2.505 10.385 -7.780 1.00 33.53 C ATOM 1203 CG ASP A 73 2.083 11.785 -8.248 1.00 54.42 C ATOM 1204 OD1 ASP A 73 0.867 12.076 -8.279 1.00 72.41 O ATOM 1205 OD2 ASP A 73 2.968 12.607 -8.586 1.00 72.51 O ATOM 0 H ASP A 73 2.985 8.022 -7.292 1.00 12.45 H new ATOM 0 HA ASP A 73 1.488 9.260 -9.332 1.00 31.04 H new ATOM 0 HB2 ASP A 73 1.843 10.070 -6.973 1.00 33.53 H new ATOM 0 HB3 ASP A 73 3.511 10.442 -7.364 1.00 33.53 H new ATOM 1210 N LYS A 74 4.723 9.190 -9.939 1.00 52.42 N ATOM 1211 CA LYS A 74 5.745 9.341 -10.997 1.00 63.14 C ATOM 1212 C LYS A 74 5.424 8.485 -12.245 1.00 12.12 C ATOM 1213 O LYS A 74 5.604 8.942 -13.370 1.00 51.20 O ATOM 1214 CB LYS A 74 7.143 8.999 -10.445 1.00 44.41 C ATOM 1215 CG LYS A 74 7.705 10.077 -9.496 1.00 24.43 C ATOM 1216 CD LYS A 74 9.053 9.680 -8.877 1.00 32.35 C ATOM 1217 CE LYS A 74 10.149 9.436 -9.932 1.00 72.31 C ATOM 1218 NZ LYS A 74 11.451 9.103 -9.314 1.00 74.23 N ATOM 0 H LYS A 74 5.057 8.687 -9.117 1.00 52.42 H new ATOM 0 HA LYS A 74 5.735 10.384 -11.314 1.00 63.14 H new ATOM 0 HB2 LYS A 74 7.094 8.048 -9.915 1.00 44.41 H new ATOM 0 HB3 LYS A 74 7.832 8.864 -11.279 1.00 44.41 H new ATOM 0 HG2 LYS A 74 7.823 11.012 -10.044 1.00 24.43 H new ATOM 0 HG3 LYS A 74 6.985 10.264 -8.699 1.00 24.43 H new ATOM 0 HD2 LYS A 74 9.380 10.466 -8.196 1.00 32.35 H new ATOM 0 HD3 LYS A 74 8.922 8.777 -8.281 1.00 32.35 H new ATOM 0 HE2 LYS A 74 9.843 8.624 -10.591 1.00 72.31 H new ATOM 0 HE3 LYS A 74 10.259 10.326 -10.552 1.00 72.31 H new ATOM 0 HZ1 LYS A 74 12.159 8.947 -10.059 1.00 74.23 H new ATOM 0 HZ2 LYS A 74 11.757 9.888 -8.705 1.00 74.23 H new ATOM 0 HZ3 LYS A 74 11.353 8.239 -8.743 1.00 74.23 H new ATOM 1232 N MET A 75 4.936 7.251 -12.034 1.00 64.41 N ATOM 1233 CA MET A 75 4.562 6.332 -13.144 1.00 45.03 C ATOM 1234 C MET A 75 3.460 6.940 -14.057 1.00 12.43 C ATOM 1235 O MET A 75 3.460 6.714 -15.276 1.00 35.03 O ATOM 1236 CB MET A 75 4.082 4.980 -12.576 1.00 62.14 C ATOM 1237 CG MET A 75 5.148 4.182 -11.820 1.00 62.31 C ATOM 1238 SD MET A 75 4.484 2.611 -11.249 1.00 20.11 S ATOM 1239 CE MET A 75 5.944 1.755 -10.685 1.00 51.35 C ATOM 0 H MET A 75 4.788 6.858 -11.105 1.00 64.41 H new ATOM 0 HA MET A 75 5.452 6.179 -13.754 1.00 45.03 H new ATOM 0 HB2 MET A 75 3.242 5.162 -11.906 1.00 62.14 H new ATOM 0 HB3 MET A 75 3.707 4.370 -13.398 1.00 62.14 H new ATOM 0 HG2 MET A 75 6.005 4.005 -12.470 1.00 62.31 H new ATOM 0 HG3 MET A 75 5.507 4.761 -10.969 1.00 62.31 H new ATOM 0 HE1 MET A 75 5.656 0.955 -10.003 1.00 51.35 H new ATOM 0 HE2 MET A 75 6.470 1.331 -11.540 1.00 51.35 H new ATOM 0 HE3 MET A 75 6.599 2.455 -10.167 1.00 51.35 H new ATOM 1249 N LEU A 76 2.536 7.707 -13.434 1.00 50.25 N ATOM 1250 CA LEU A 76 1.455 8.446 -14.136 1.00 61.25 C ATOM 1251 C LEU A 76 2.001 9.404 -15.231 1.00 73.14 C ATOM 1252 O LEU A 76 1.433 9.482 -16.326 1.00 13.04 O ATOM 1253 CB LEU A 76 0.584 9.239 -13.104 1.00 32.22 C ATOM 1254 CG LEU A 76 -0.635 8.474 -12.480 1.00 1.10 C ATOM 1255 CD1 LEU A 76 -1.649 8.058 -13.560 1.00 23.20 C ATOM 1256 CD2 LEU A 76 -0.187 7.253 -11.642 1.00 13.53 C ATOM 0 H LEU A 76 2.517 7.833 -12.422 1.00 50.25 H new ATOM 0 HA LEU A 76 0.836 7.705 -14.642 1.00 61.25 H new ATOM 0 HB2 LEU A 76 1.232 9.567 -12.292 1.00 32.22 H new ATOM 0 HB3 LEU A 76 0.208 10.137 -13.594 1.00 32.22 H new ATOM 0 HG LEU A 76 -1.130 9.169 -11.802 1.00 1.10 H new ATOM 0 HD11 LEU A 76 -2.481 7.530 -13.094 1.00 23.20 H new ATOM 0 HD12 LEU A 76 -2.022 8.946 -14.070 1.00 23.20 H new ATOM 0 HD13 LEU A 76 -1.163 7.403 -14.282 1.00 23.20 H new ATOM 0 HD21 LEU A 76 -1.064 6.754 -11.229 1.00 13.53 H new ATOM 0 HD22 LEU A 76 0.362 6.557 -12.277 1.00 13.53 H new ATOM 0 HD23 LEU A 76 0.457 7.587 -10.828 1.00 13.53 H new ATOM 1268 N ASN A 77 3.092 10.135 -14.934 1.00 14.54 N ATOM 1269 CA ASN A 77 3.715 11.052 -15.925 1.00 53.03 C ATOM 1270 C ASN A 77 4.660 10.297 -16.887 1.00 65.00 C ATOM 1271 O ASN A 77 5.453 9.447 -16.473 1.00 75.43 O ATOM 1272 CB ASN A 77 4.429 12.276 -15.259 1.00 41.13 C ATOM 1273 CG ASN A 77 5.044 11.995 -13.894 1.00 64.25 C ATOM 1274 OD1 ASN A 77 6.283 11.568 -13.858 1.00 61.10 O flip ATOM 1275 ND2 ASN A 77 4.401 12.150 -12.875 1.00 3.00 N flip ATOM 0 H ASN A 77 3.561 10.114 -14.028 1.00 14.54 H new ATOM 0 HA ASN A 77 2.896 11.460 -16.518 1.00 53.03 H new ATOM 0 HB2 ASN A 77 5.213 12.629 -15.929 1.00 41.13 H new ATOM 0 HB3 ASN A 77 3.708 13.087 -15.156 1.00 41.13 H new ATOM 0 HD21 ASN A 77 3.438 12.483 -12.925 1.00 3.00 H new ATOM 0 HD22 ASN A 77 4.824 11.947 -11.969 1.00 3.00 H new ATOM 1282 N SER A 78 4.577 10.679 -18.182 1.00 35.42 N ATOM 1283 CA SER A 78 5.282 10.020 -19.314 1.00 2.13 C ATOM 1284 C SER A 78 6.821 10.164 -19.244 1.00 22.00 C ATOM 1285 O SER A 78 7.544 9.510 -20.005 1.00 32.12 O ATOM 1286 CB SER A 78 4.772 10.616 -20.649 1.00 35.32 C ATOM 1287 OG SER A 78 3.377 10.404 -20.824 1.00 73.53 O ATOM 0 H SER A 78 4.007 11.471 -18.479 1.00 35.42 H new ATOM 0 HA SER A 78 5.061 8.955 -19.249 1.00 2.13 H new ATOM 0 HB2 SER A 78 4.983 11.685 -20.674 1.00 35.32 H new ATOM 0 HB3 SER A 78 5.315 10.165 -21.479 1.00 35.32 H new ATOM 0 HG SER A 78 3.091 10.795 -21.676 1.00 73.53 H new ATOM 1293 N GLU A 79 7.314 11.016 -18.327 1.00 43.01 N ATOM 1294 CA GLU A 79 8.760 11.248 -18.136 1.00 50.43 C ATOM 1295 C GLU A 79 9.419 10.079 -17.350 1.00 42.32 C ATOM 1296 O GLU A 79 10.649 9.965 -17.303 1.00 34.24 O ATOM 1297 CB GLU A 79 8.973 12.612 -17.413 1.00 22.11 C ATOM 1298 CG GLU A 79 8.581 12.642 -15.927 1.00 44.31 C ATOM 1299 CD GLU A 79 8.799 14.010 -15.258 1.00 42.45 C ATOM 1300 OE1 GLU A 79 9.906 14.258 -14.731 1.00 73.34 O ATOM 1301 OE2 GLU A 79 7.874 14.847 -15.267 1.00 51.00 O ATOM 0 H GLU A 79 6.725 11.562 -17.699 1.00 43.01 H new ATOM 0 HA GLU A 79 9.246 11.287 -19.111 1.00 50.43 H new ATOM 0 HB2 GLU A 79 10.024 12.889 -17.499 1.00 22.11 H new ATOM 0 HB3 GLU A 79 8.398 13.375 -17.938 1.00 22.11 H new ATOM 0 HG2 GLU A 79 7.531 12.364 -15.831 1.00 44.31 H new ATOM 0 HG3 GLU A 79 9.160 11.889 -15.392 1.00 44.31 H new ATOM 1308 N ILE A 80 8.574 9.213 -16.746 1.00 34.23 N ATOM 1309 CA ILE A 80 8.996 8.050 -15.929 1.00 74.12 C ATOM 1310 C ILE A 80 8.377 6.748 -16.504 1.00 44.32 C ATOM 1311 O ILE A 80 7.174 6.706 -16.787 1.00 22.51 O ATOM 1312 CB ILE A 80 8.527 8.226 -14.435 1.00 51.44 C ATOM 1313 CG1 ILE A 80 8.937 9.630 -13.873 1.00 35.44 C ATOM 1314 CG2 ILE A 80 9.037 7.078 -13.520 1.00 74.15 C ATOM 1315 CD1 ILE A 80 10.426 9.852 -13.665 1.00 32.12 C ATOM 0 H ILE A 80 7.560 9.304 -16.813 1.00 34.23 H new ATOM 0 HA ILE A 80 10.084 7.987 -15.958 1.00 74.12 H new ATOM 0 HB ILE A 80 7.438 8.170 -14.434 1.00 51.44 H new ATOM 0 HG12 ILE A 80 8.567 10.395 -14.555 1.00 35.44 H new ATOM 0 HG13 ILE A 80 8.430 9.781 -12.920 1.00 35.44 H new ATOM 0 HG21 ILE A 80 8.688 7.243 -12.501 1.00 74.15 H new ATOM 0 HG22 ILE A 80 8.654 6.125 -13.885 1.00 74.15 H new ATOM 0 HG23 ILE A 80 10.127 7.060 -13.532 1.00 74.15 H new ATOM 0 HD11 ILE A 80 10.593 10.856 -13.274 1.00 32.12 H new ATOM 0 HD12 ILE A 80 10.808 9.118 -12.956 1.00 32.12 H new ATOM 0 HD13 ILE A 80 10.947 9.742 -14.616 1.00 32.12 H new ATOM 1327 N LYS A 81 9.200 5.702 -16.688 1.00 45.40 N ATOM 1328 CA LYS A 81 8.733 4.375 -17.166 1.00 2.34 C ATOM 1329 C LYS A 81 8.549 3.393 -15.983 1.00 53.21 C ATOM 1330 O LYS A 81 9.122 3.581 -14.900 1.00 62.13 O ATOM 1331 CB LYS A 81 9.725 3.802 -18.216 1.00 71.51 C ATOM 1332 CG LYS A 81 9.855 4.669 -19.490 1.00 30.31 C ATOM 1333 CD LYS A 81 10.753 4.037 -20.580 1.00 43.31 C ATOM 1334 CE LYS A 81 10.187 2.714 -21.138 1.00 24.51 C ATOM 1335 NZ LYS A 81 10.958 2.230 -22.311 1.00 54.40 N ATOM 0 H LYS A 81 10.204 5.744 -16.513 1.00 45.40 H new ATOM 0 HA LYS A 81 7.762 4.503 -17.644 1.00 2.34 H new ATOM 0 HB2 LYS A 81 10.708 3.700 -17.756 1.00 71.51 H new ATOM 0 HB3 LYS A 81 9.400 2.801 -18.500 1.00 71.51 H new ATOM 0 HG2 LYS A 81 8.862 4.842 -19.905 1.00 30.31 H new ATOM 0 HG3 LYS A 81 10.261 5.643 -19.217 1.00 30.31 H new ATOM 0 HD2 LYS A 81 10.875 4.747 -21.398 1.00 43.31 H new ATOM 0 HD3 LYS A 81 11.744 3.855 -20.165 1.00 43.31 H new ATOM 0 HE2 LYS A 81 10.202 1.955 -20.356 1.00 24.51 H new ATOM 0 HE3 LYS A 81 9.145 2.857 -21.423 1.00 24.51 H new ATOM 0 HZ1 LYS A 81 10.545 1.340 -22.655 1.00 54.40 H new ATOM 0 HZ2 LYS A 81 10.923 2.943 -23.068 1.00 54.40 H new ATOM 0 HZ3 LYS A 81 11.947 2.068 -22.034 1.00 54.40 H new ATOM 1349 N ILE A 82 7.746 2.341 -16.204 1.00 74.24 N ATOM 1350 CA ILE A 82 7.390 1.359 -15.159 1.00 51.44 C ATOM 1351 C ILE A 82 8.280 0.109 -15.292 1.00 11.53 C ATOM 1352 O ILE A 82 7.986 -0.805 -16.076 1.00 52.34 O ATOM 1353 CB ILE A 82 5.853 0.959 -15.198 1.00 75.21 C ATOM 1354 CG1 ILE A 82 4.911 2.218 -15.152 1.00 12.20 C ATOM 1355 CG2 ILE A 82 5.506 -0.008 -14.038 1.00 32.42 C ATOM 1356 CD1 ILE A 82 4.772 2.987 -16.457 1.00 13.53 C ATOM 0 H ILE A 82 7.323 2.144 -17.111 1.00 74.24 H new ATOM 0 HA ILE A 82 7.566 1.830 -14.192 1.00 51.44 H new ATOM 0 HB ILE A 82 5.682 0.452 -16.148 1.00 75.21 H new ATOM 0 HG12 ILE A 82 3.919 1.895 -14.835 1.00 12.20 H new ATOM 0 HG13 ILE A 82 5.284 2.900 -14.388 1.00 12.20 H new ATOM 0 HG21 ILE A 82 4.449 -0.268 -14.085 1.00 32.42 H new ATOM 0 HG22 ILE A 82 6.107 -0.913 -14.127 1.00 32.42 H new ATOM 0 HG23 ILE A 82 5.718 0.476 -13.085 1.00 32.42 H new ATOM 0 HD11 ILE A 82 4.101 3.833 -16.311 1.00 13.53 H new ATOM 0 HD12 ILE A 82 5.751 3.350 -16.772 1.00 13.53 H new ATOM 0 HD13 ILE A 82 4.365 2.330 -17.225 1.00 13.53 H new ATOM 1368 N THR A 83 9.401 0.119 -14.551 1.00 64.35 N ATOM 1369 CA THR A 83 10.366 -0.998 -14.529 1.00 22.11 C ATOM 1370 C THR A 83 9.824 -2.162 -13.666 1.00 45.33 C ATOM 1371 O THR A 83 9.251 -1.916 -12.604 1.00 42.31 O ATOM 1372 CB THR A 83 11.758 -0.542 -13.962 1.00 63.45 C ATOM 1373 OG1 THR A 83 12.209 0.625 -14.661 1.00 25.51 O ATOM 1374 CG2 THR A 83 12.831 -1.648 -14.074 1.00 70.00 C ATOM 0 H THR A 83 9.665 0.900 -13.950 1.00 64.35 H new ATOM 0 HA THR A 83 10.500 -1.333 -15.557 1.00 22.11 H new ATOM 0 HB THR A 83 11.617 -0.322 -12.904 1.00 63.45 H new ATOM 0 HG1 THR A 83 13.077 0.906 -14.302 1.00 25.51 H new ATOM 0 HG21 THR A 83 13.774 -1.282 -13.668 1.00 70.00 H new ATOM 0 HG22 THR A 83 12.510 -2.525 -13.512 1.00 70.00 H new ATOM 0 HG23 THR A 83 12.967 -1.918 -15.121 1.00 70.00 H new ATOM 1382 N SER A 84 10.031 -3.418 -14.118 1.00 73.52 N ATOM 1383 CA SER A 84 9.573 -4.640 -13.402 1.00 43.01 C ATOM 1384 C SER A 84 10.121 -4.729 -11.950 1.00 65.44 C ATOM 1385 O SER A 84 9.404 -5.138 -11.033 1.00 44.13 O ATOM 1386 CB SER A 84 9.968 -5.903 -14.199 1.00 41.32 C ATOM 1387 OG SER A 84 9.348 -5.917 -15.480 1.00 35.35 O ATOM 0 H SER A 84 10.520 -3.619 -14.990 1.00 73.52 H new ATOM 0 HA SER A 84 8.487 -4.576 -13.327 1.00 43.01 H new ATOM 0 HB2 SER A 84 11.051 -5.939 -14.316 1.00 41.32 H new ATOM 0 HB3 SER A 84 9.678 -6.794 -13.642 1.00 41.32 H new ATOM 0 HG SER A 84 9.616 -6.726 -15.964 1.00 35.35 H new ATOM 1393 N ASP A 85 11.397 -4.341 -11.755 1.00 33.32 N ATOM 1394 CA ASP A 85 12.029 -4.305 -10.411 1.00 60.11 C ATOM 1395 C ASP A 85 11.573 -3.081 -9.573 1.00 5.02 C ATOM 1396 O ASP A 85 11.682 -3.087 -8.344 1.00 74.25 O ATOM 1397 CB ASP A 85 13.563 -4.326 -10.537 1.00 25.43 C ATOM 1398 CG ASP A 85 14.078 -5.597 -11.229 1.00 64.40 C ATOM 1399 OD1 ASP A 85 14.156 -6.657 -10.567 1.00 44.12 O ATOM 1400 OD2 ASP A 85 14.392 -5.548 -12.437 1.00 24.22 O ATOM 0 H ASP A 85 12.016 -4.046 -12.510 1.00 33.32 H new ATOM 0 HA ASP A 85 11.699 -5.198 -9.880 1.00 60.11 H new ATOM 0 HB2 ASP A 85 13.890 -3.452 -11.100 1.00 25.43 H new ATOM 0 HB3 ASP A 85 14.007 -4.251 -9.544 1.00 25.43 H new ATOM 1405 N LEU A 86 11.081 -2.023 -10.231 1.00 5.54 N ATOM 1406 CA LEU A 86 10.476 -0.875 -9.519 1.00 71.23 C ATOM 1407 C LEU A 86 9.064 -1.239 -8.989 1.00 54.31 C ATOM 1408 O LEU A 86 8.642 -0.767 -7.930 1.00 62.34 O ATOM 1409 CB LEU A 86 10.402 0.371 -10.427 1.00 2.34 C ATOM 1410 CG LEU A 86 9.901 1.664 -9.717 1.00 45.21 C ATOM 1411 CD1 LEU A 86 10.943 2.201 -8.702 1.00 61.44 C ATOM 1412 CD2 LEU A 86 9.480 2.737 -10.744 1.00 42.41 C ATOM 0 H LEU A 86 11.087 -1.932 -11.247 1.00 5.54 H new ATOM 0 HA LEU A 86 11.117 -0.638 -8.670 1.00 71.23 H new ATOM 0 HB2 LEU A 86 11.392 0.561 -10.842 1.00 2.34 H new ATOM 0 HB3 LEU A 86 9.741 0.154 -11.266 1.00 2.34 H new ATOM 0 HG LEU A 86 9.012 1.403 -9.142 1.00 45.21 H new ATOM 0 HD11 LEU A 86 10.557 3.103 -8.227 1.00 61.44 H new ATOM 0 HD12 LEU A 86 11.134 1.444 -7.941 1.00 61.44 H new ATOM 0 HD13 LEU A 86 11.872 2.434 -9.223 1.00 61.44 H new ATOM 0 HD21 LEU A 86 9.135 3.628 -10.219 1.00 42.41 H new ATOM 0 HD22 LEU A 86 10.333 2.994 -11.372 1.00 42.41 H new ATOM 0 HD23 LEU A 86 8.674 2.348 -11.367 1.00 42.41 H new ATOM 1424 N ILE A 87 8.344 -2.080 -9.755 1.00 74.51 N ATOM 1425 CA ILE A 87 7.077 -2.714 -9.305 1.00 42.44 C ATOM 1426 C ILE A 87 7.354 -3.599 -8.051 1.00 14.32 C ATOM 1427 O ILE A 87 6.525 -3.700 -7.136 1.00 43.41 O ATOM 1428 CB ILE A 87 6.461 -3.616 -10.445 1.00 21.24 C ATOM 1429 CG1 ILE A 87 6.269 -2.818 -11.773 1.00 43.35 C ATOM 1430 CG2 ILE A 87 5.127 -4.272 -10.013 1.00 43.24 C ATOM 1431 CD1 ILE A 87 5.858 -3.666 -12.975 1.00 55.41 C ATOM 0 H ILE A 87 8.618 -2.343 -10.702 1.00 74.51 H new ATOM 0 HA ILE A 87 6.367 -1.924 -9.060 1.00 42.44 H new ATOM 0 HB ILE A 87 7.181 -4.414 -10.627 1.00 21.24 H new ATOM 0 HG12 ILE A 87 5.513 -2.049 -11.613 1.00 43.35 H new ATOM 0 HG13 ILE A 87 7.201 -2.304 -12.010 1.00 43.35 H new ATOM 0 HG21 ILE A 87 4.741 -4.883 -10.829 1.00 43.24 H new ATOM 0 HG22 ILE A 87 5.297 -4.900 -9.139 1.00 43.24 H new ATOM 0 HG23 ILE A 87 4.403 -3.496 -9.767 1.00 43.24 H new ATOM 0 HD11 ILE A 87 5.748 -3.027 -13.851 1.00 55.41 H new ATOM 0 HD12 ILE A 87 6.623 -4.418 -13.168 1.00 55.41 H new ATOM 0 HD13 ILE A 87 4.909 -4.159 -12.765 1.00 55.41 H new ATOM 1443 N ASP A 88 8.563 -4.214 -8.038 1.00 41.23 N ATOM 1444 CA ASP A 88 9.053 -5.057 -6.926 1.00 51.04 C ATOM 1445 C ASP A 88 9.296 -4.216 -5.654 1.00 1.43 C ATOM 1446 O ASP A 88 9.189 -4.730 -4.536 1.00 3.21 O ATOM 1447 CB ASP A 88 10.361 -5.770 -7.348 1.00 41.52 C ATOM 1448 CG ASP A 88 10.845 -6.819 -6.332 1.00 61.40 C ATOM 1449 OD1 ASP A 88 10.279 -7.924 -6.311 1.00 4.43 O ATOM 1450 OD2 ASP A 88 11.796 -6.544 -5.560 1.00 62.35 O ATOM 0 H ASP A 88 9.228 -4.136 -8.807 1.00 41.23 H new ATOM 0 HA ASP A 88 8.290 -5.801 -6.698 1.00 51.04 H new ATOM 0 HB2 ASP A 88 10.206 -6.254 -8.312 1.00 41.52 H new ATOM 0 HB3 ASP A 88 11.143 -5.024 -7.488 1.00 41.52 H new ATOM 1455 N LYS A 89 9.648 -2.927 -5.843 1.00 41.31 N ATOM 1456 CA LYS A 89 9.842 -1.973 -4.734 1.00 35.50 C ATOM 1457 C LYS A 89 8.507 -1.728 -3.992 1.00 72.23 C ATOM 1458 O LYS A 89 8.466 -1.662 -2.763 1.00 14.21 O ATOM 1459 CB LYS A 89 10.426 -0.644 -5.273 1.00 74.05 C ATOM 1460 CG LYS A 89 10.990 0.272 -4.174 1.00 23.52 C ATOM 1461 CD LYS A 89 11.714 1.514 -4.730 1.00 62.31 C ATOM 1462 CE LYS A 89 12.450 2.285 -3.627 1.00 43.22 C ATOM 1463 NZ LYS A 89 13.610 1.523 -3.092 1.00 23.24 N ATOM 0 H LYS A 89 9.805 -2.521 -6.765 1.00 41.31 H new ATOM 0 HA LYS A 89 10.550 -2.398 -4.023 1.00 35.50 H new ATOM 0 HB2 LYS A 89 11.217 -0.868 -5.989 1.00 74.05 H new ATOM 0 HB3 LYS A 89 9.647 -0.109 -5.816 1.00 74.05 H new ATOM 0 HG2 LYS A 89 10.175 0.594 -3.526 1.00 23.52 H new ATOM 0 HG3 LYS A 89 11.683 -0.298 -3.555 1.00 23.52 H new ATOM 0 HD2 LYS A 89 12.426 1.207 -5.496 1.00 62.31 H new ATOM 0 HD3 LYS A 89 10.990 2.171 -5.212 1.00 62.31 H new ATOM 0 HE2 LYS A 89 12.795 3.241 -4.021 1.00 43.22 H new ATOM 0 HE3 LYS A 89 11.757 2.507 -2.816 1.00 43.22 H new ATOM 0 HZ1 LYS A 89 14.204 2.154 -2.517 1.00 23.24 H new ATOM 0 HZ2 LYS A 89 13.267 0.738 -2.503 1.00 23.24 H new ATOM 0 HZ3 LYS A 89 14.171 1.144 -3.882 1.00 23.24 H new ATOM 1477 N VAL A 90 7.420 -1.645 -4.775 1.00 71.04 N ATOM 1478 CA VAL A 90 6.048 -1.439 -4.256 1.00 4.01 C ATOM 1479 C VAL A 90 5.546 -2.706 -3.516 1.00 11.43 C ATOM 1480 O VAL A 90 4.981 -2.611 -2.416 1.00 72.42 O ATOM 1481 CB VAL A 90 5.052 -1.080 -5.422 1.00 51.31 C ATOM 1482 CG1 VAL A 90 3.673 -0.637 -4.874 1.00 60.55 C ATOM 1483 CG2 VAL A 90 5.666 -0.010 -6.361 1.00 3.54 C ATOM 0 H VAL A 90 7.463 -1.719 -5.791 1.00 71.04 H new ATOM 0 HA VAL A 90 6.082 -0.606 -3.554 1.00 4.01 H new ATOM 0 HB VAL A 90 4.886 -1.982 -6.011 1.00 51.31 H new ATOM 0 HG11 VAL A 90 3.011 -0.397 -5.706 1.00 60.55 H new ATOM 0 HG12 VAL A 90 3.238 -1.445 -4.286 1.00 60.55 H new ATOM 0 HG13 VAL A 90 3.798 0.244 -4.244 1.00 60.55 H new ATOM 0 HG21 VAL A 90 4.960 0.222 -7.159 1.00 3.54 H new ATOM 0 HG22 VAL A 90 5.880 0.894 -5.791 1.00 3.54 H new ATOM 0 HG23 VAL A 90 6.590 -0.393 -6.794 1.00 3.54 H new ATOM 1493 N LYS A 91 5.775 -3.887 -4.143 1.00 13.41 N ATOM 1494 CA LYS A 91 5.487 -5.214 -3.535 1.00 44.42 C ATOM 1495 C LYS A 91 6.195 -5.379 -2.172 1.00 55.55 C ATOM 1496 O LYS A 91 5.559 -5.729 -1.186 1.00 74.11 O ATOM 1497 CB LYS A 91 5.904 -6.384 -4.496 1.00 23.42 C ATOM 1498 CG LYS A 91 4.828 -6.798 -5.528 1.00 21.52 C ATOM 1499 CD LYS A 91 3.544 -7.356 -4.847 1.00 72.12 C ATOM 1500 CE LYS A 91 2.553 -7.988 -5.840 1.00 24.45 C ATOM 1501 NZ LYS A 91 3.127 -9.170 -6.519 1.00 71.23 N ATOM 0 H LYS A 91 6.164 -3.948 -5.084 1.00 13.41 H new ATOM 0 HA LYS A 91 4.410 -5.261 -3.373 1.00 44.42 H new ATOM 0 HB2 LYS A 91 6.806 -6.089 -5.032 1.00 23.42 H new ATOM 0 HB3 LYS A 91 6.162 -7.255 -3.893 1.00 23.42 H new ATOM 0 HG2 LYS A 91 4.566 -5.937 -6.143 1.00 21.52 H new ATOM 0 HG3 LYS A 91 5.240 -7.554 -6.197 1.00 21.52 H new ATOM 0 HD2 LYS A 91 3.830 -8.102 -4.105 1.00 72.12 H new ATOM 0 HD3 LYS A 91 3.045 -6.548 -4.311 1.00 72.12 H new ATOM 0 HE2 LYS A 91 1.646 -8.279 -5.311 1.00 24.45 H new ATOM 0 HE3 LYS A 91 2.264 -7.247 -6.585 1.00 24.45 H new ATOM 0 HZ1 LYS A 91 2.453 -9.525 -7.227 1.00 71.23 H new ATOM 0 HZ2 LYS A 91 4.015 -8.903 -6.989 1.00 71.23 H new ATOM 0 HZ3 LYS A 91 3.317 -9.915 -5.818 1.00 71.23 H new ATOM 1515 N LYS A 92 7.504 -5.072 -2.149 1.00 24.52 N ATOM 1516 CA LYS A 92 8.388 -5.258 -0.976 1.00 13.41 C ATOM 1517 C LYS A 92 7.946 -4.404 0.240 1.00 40.01 C ATOM 1518 O LYS A 92 7.991 -4.853 1.389 1.00 41.14 O ATOM 1519 CB LYS A 92 9.838 -4.879 -1.370 1.00 31.32 C ATOM 1520 CG LYS A 92 10.909 -5.223 -0.308 1.00 1.15 C ATOM 1521 CD LYS A 92 11.208 -6.743 -0.236 1.00 13.35 C ATOM 1522 CE LYS A 92 11.811 -7.295 -1.552 1.00 15.33 C ATOM 1523 NZ LYS A 92 11.960 -8.772 -1.531 1.00 74.33 N ATOM 0 H LYS A 92 7.989 -4.681 -2.957 1.00 24.52 H new ATOM 0 HA LYS A 92 8.327 -6.305 -0.678 1.00 13.41 H new ATOM 0 HB2 LYS A 92 10.092 -5.388 -2.300 1.00 31.32 H new ATOM 0 HB3 LYS A 92 9.877 -3.809 -1.572 1.00 31.32 H new ATOM 0 HG2 LYS A 92 11.829 -4.686 -0.537 1.00 1.15 H new ATOM 0 HG3 LYS A 92 10.572 -4.876 0.669 1.00 1.15 H new ATOM 0 HD2 LYS A 92 11.899 -6.935 0.585 1.00 13.35 H new ATOM 0 HD3 LYS A 92 10.287 -7.280 -0.009 1.00 13.35 H new ATOM 0 HE2 LYS A 92 11.174 -7.009 -2.389 1.00 15.33 H new ATOM 0 HE3 LYS A 92 12.785 -6.837 -1.722 1.00 15.33 H new ATOM 0 HZ1 LYS A 92 12.367 -9.093 -2.433 1.00 74.33 H new ATOM 0 HZ2 LYS A 92 12.590 -9.046 -0.750 1.00 74.33 H new ATOM 0 HZ3 LYS A 92 11.028 -9.213 -1.396 1.00 74.33 H new ATOM 1537 N LYS A 93 7.547 -3.160 -0.042 1.00 42.00 N ATOM 1538 CA LYS A 93 7.071 -2.209 0.984 1.00 74.42 C ATOM 1539 C LYS A 93 5.643 -2.532 1.470 1.00 61.12 C ATOM 1540 O LYS A 93 5.298 -2.235 2.614 1.00 72.13 O ATOM 1541 CB LYS A 93 7.164 -0.767 0.440 1.00 1.33 C ATOM 1542 CG LYS A 93 8.601 -0.332 0.078 1.00 64.12 C ATOM 1543 CD LYS A 93 9.597 -0.468 1.254 1.00 12.12 C ATOM 1544 CE LYS A 93 11.047 -0.198 0.830 1.00 41.44 C ATOM 1545 NZ LYS A 93 11.983 -0.384 1.953 1.00 1.33 N ATOM 0 H LYS A 93 7.543 -2.777 -0.987 1.00 42.00 H new ATOM 0 HA LYS A 93 7.718 -2.305 1.856 1.00 74.42 H new ATOM 0 HB2 LYS A 93 6.534 -0.681 -0.445 1.00 1.33 H new ATOM 0 HB3 LYS A 93 6.763 -0.080 1.185 1.00 1.33 H new ATOM 0 HG2 LYS A 93 8.955 -0.933 -0.760 1.00 64.12 H new ATOM 0 HG3 LYS A 93 8.585 0.705 -0.258 1.00 64.12 H new ATOM 0 HD2 LYS A 93 9.318 0.228 2.045 1.00 12.12 H new ATOM 0 HD3 LYS A 93 9.525 -1.472 1.673 1.00 12.12 H new ATOM 0 HE2 LYS A 93 11.319 -0.867 0.014 1.00 41.44 H new ATOM 0 HE3 LYS A 93 11.132 0.820 0.449 1.00 41.44 H new ATOM 0 HZ1 LYS A 93 12.953 -0.194 1.631 1.00 1.33 H new ATOM 0 HZ2 LYS A 93 11.738 0.272 2.722 1.00 1.33 H new ATOM 0 HZ3 LYS A 93 11.919 -1.362 2.300 1.00 1.33 H new ATOM 1559 N LEU A 94 4.834 -3.152 0.596 1.00 63.54 N ATOM 1560 CA LEU A 94 3.478 -3.638 0.953 1.00 11.11 C ATOM 1561 C LEU A 94 3.605 -4.942 1.807 1.00 5.12 C ATOM 1562 O LEU A 94 2.772 -5.224 2.677 1.00 3.10 O ATOM 1563 CB LEU A 94 2.632 -3.847 -0.352 1.00 31.11 C ATOM 1564 CG LEU A 94 1.109 -3.479 -0.293 1.00 22.40 C ATOM 1565 CD1 LEU A 94 0.324 -4.380 0.672 1.00 53.22 C ATOM 1566 CD2 LEU A 94 0.915 -1.984 0.053 1.00 34.42 C ATOM 0 H LEU A 94 5.093 -3.333 -0.374 1.00 63.54 H new ATOM 0 HA LEU A 94 2.952 -2.901 1.560 1.00 11.11 H new ATOM 0 HB2 LEU A 94 3.090 -3.259 -1.148 1.00 31.11 H new ATOM 0 HB3 LEU A 94 2.714 -4.894 -0.642 1.00 31.11 H new ATOM 0 HG LEU A 94 0.700 -3.656 -1.288 1.00 22.40 H new ATOM 0 HD11 LEU A 94 -0.725 -4.083 0.675 1.00 53.22 H new ATOM 0 HD12 LEU A 94 0.406 -5.418 0.349 1.00 53.22 H new ATOM 0 HD13 LEU A 94 0.733 -4.279 1.677 1.00 53.22 H new ATOM 0 HD21 LEU A 94 -0.150 -1.754 0.088 1.00 34.42 H new ATOM 0 HD22 LEU A 94 1.364 -1.774 1.024 1.00 34.42 H new ATOM 0 HD23 LEU A 94 1.394 -1.369 -0.709 1.00 34.42 H new ATOM 1578 N ASP A 95 4.681 -5.715 1.544 1.00 41.40 N ATOM 1579 CA ASP A 95 5.120 -6.846 2.392 1.00 1.41 C ATOM 1580 C ASP A 95 5.563 -6.338 3.782 1.00 72.23 C ATOM 1581 O ASP A 95 5.257 -6.949 4.805 1.00 2.23 O ATOM 1582 CB ASP A 95 6.293 -7.608 1.702 1.00 40.30 C ATOM 1583 CG ASP A 95 5.820 -8.648 0.671 1.00 13.14 C ATOM 1584 OD1 ASP A 95 5.272 -9.690 1.083 1.00 51.12 O ATOM 1585 OD2 ASP A 95 5.992 -8.433 -0.545 1.00 45.23 O ATOM 0 H ASP A 95 5.276 -5.570 0.728 1.00 41.40 H new ATOM 0 HA ASP A 95 4.281 -7.529 2.523 1.00 1.41 H new ATOM 0 HB2 ASP A 95 6.945 -6.887 1.208 1.00 40.30 H new ATOM 0 HB3 ASP A 95 6.891 -8.108 2.464 1.00 40.30 H new ATOM 1590 N MET A 96 6.287 -5.206 3.778 1.00 2.54 N ATOM 1591 CA MET A 96 6.781 -4.528 4.998 1.00 23.24 C ATOM 1592 C MET A 96 5.614 -4.011 5.894 1.00 40.32 C ATOM 1593 O MET A 96 5.752 -3.970 7.120 1.00 65.35 O ATOM 1594 CB MET A 96 7.747 -3.381 4.584 1.00 62.03 C ATOM 1595 CG MET A 96 8.207 -2.469 5.728 1.00 1.34 C ATOM 1596 SD MET A 96 9.036 -3.372 7.057 1.00 34.43 S ATOM 1597 CE MET A 96 9.232 -2.080 8.290 1.00 53.04 C ATOM 0 H MET A 96 6.551 -4.726 2.918 1.00 2.54 H new ATOM 0 HA MET A 96 7.326 -5.250 5.607 1.00 23.24 H new ATOM 0 HB2 MET A 96 8.627 -3.821 4.115 1.00 62.03 H new ATOM 0 HB3 MET A 96 7.255 -2.769 3.828 1.00 62.03 H new ATOM 0 HG2 MET A 96 8.884 -1.712 5.333 1.00 1.34 H new ATOM 0 HG3 MET A 96 7.344 -1.943 6.136 1.00 1.34 H new ATOM 0 HE1 MET A 96 9.730 -2.489 9.169 1.00 53.04 H new ATOM 0 HE2 MET A 96 9.833 -1.270 7.876 1.00 53.04 H new ATOM 0 HE3 MET A 96 8.252 -1.696 8.573 1.00 53.04 H new ATOM 1607 N VAL A 97 4.470 -3.631 5.275 1.00 63.43 N ATOM 1608 CA VAL A 97 3.218 -3.294 6.022 1.00 75.51 C ATOM 1609 C VAL A 97 2.767 -4.500 6.889 1.00 41.31 C ATOM 1610 O VAL A 97 2.492 -4.365 8.093 1.00 44.44 O ATOM 1611 CB VAL A 97 2.044 -2.888 5.042 1.00 65.11 C ATOM 1612 CG1 VAL A 97 0.740 -2.529 5.811 1.00 14.51 C ATOM 1613 CG2 VAL A 97 2.473 -1.734 4.106 1.00 64.54 C ATOM 0 H VAL A 97 4.381 -3.548 4.262 1.00 63.43 H new ATOM 0 HA VAL A 97 3.442 -2.441 6.663 1.00 75.51 H new ATOM 0 HB VAL A 97 1.825 -3.760 4.426 1.00 65.11 H new ATOM 0 HG11 VAL A 97 -0.039 -2.257 5.099 1.00 14.51 H new ATOM 0 HG12 VAL A 97 0.413 -3.390 6.395 1.00 14.51 H new ATOM 0 HG13 VAL A 97 0.931 -1.689 6.479 1.00 14.51 H new ATOM 0 HG21 VAL A 97 1.646 -1.476 3.444 1.00 64.54 H new ATOM 0 HG22 VAL A 97 2.745 -0.863 4.703 1.00 64.54 H new ATOM 0 HG23 VAL A 97 3.330 -2.048 3.511 1.00 64.54 H new ATOM 1623 N THR A 98 2.732 -5.679 6.242 1.00 22.02 N ATOM 1624 CA THR A 98 2.402 -6.967 6.891 1.00 52.34 C ATOM 1625 C THR A 98 3.446 -7.343 7.976 1.00 23.43 C ATOM 1626 O THR A 98 3.082 -7.845 9.034 1.00 14.14 O ATOM 1627 CB THR A 98 2.313 -8.119 5.826 1.00 3.51 C ATOM 1628 OG1 THR A 98 1.418 -7.727 4.772 1.00 61.41 O ATOM 1629 CG2 THR A 98 1.833 -9.456 6.434 1.00 22.25 C ATOM 0 H THR A 98 2.933 -5.768 5.246 1.00 22.02 H new ATOM 0 HA THR A 98 1.432 -6.846 7.373 1.00 52.34 H new ATOM 0 HB THR A 98 3.319 -8.280 5.438 1.00 3.51 H new ATOM 0 HG1 THR A 98 1.363 -8.444 4.106 1.00 61.41 H new ATOM 0 HG21 THR A 98 1.790 -10.216 5.654 1.00 22.25 H new ATOM 0 HG22 THR A 98 2.528 -9.773 7.211 1.00 22.25 H new ATOM 0 HG23 THR A 98 0.841 -9.324 6.867 1.00 22.25 H new ATOM 1637 N ARG A 99 4.744 -7.071 7.697 1.00 31.43 N ATOM 1638 CA ARG A 99 5.872 -7.393 8.617 1.00 4.40 C ATOM 1639 C ARG A 99 5.888 -6.505 9.883 1.00 4.11 C ATOM 1640 O ARG A 99 6.285 -6.960 10.962 1.00 65.42 O ATOM 1641 CB ARG A 99 7.236 -7.266 7.880 1.00 11.35 C ATOM 1642 CG ARG A 99 7.450 -8.298 6.753 1.00 73.51 C ATOM 1643 CD ARG A 99 7.443 -9.750 7.266 1.00 2.55 C ATOM 1644 NE ARG A 99 8.507 -10.005 8.258 1.00 30.24 N ATOM 1645 CZ ARG A 99 9.420 -10.953 8.185 1.00 13.44 C ATOM 1646 NH1 ARG A 99 9.486 -11.746 7.162 1.00 0.03 N ATOM 1647 NH2 ARG A 99 10.263 -11.092 9.147 1.00 65.30 N ATOM 0 H ARG A 99 5.042 -6.623 6.831 1.00 31.43 H new ATOM 0 HA ARG A 99 5.718 -8.423 8.939 1.00 4.40 H new ATOM 0 HB2 ARG A 99 7.315 -6.264 7.458 1.00 11.35 H new ATOM 0 HB3 ARG A 99 8.040 -7.370 8.609 1.00 11.35 H new ATOM 0 HG2 ARG A 99 6.668 -8.178 6.003 1.00 73.51 H new ATOM 0 HG3 ARG A 99 8.400 -8.097 6.258 1.00 73.51 H new ATOM 0 HD2 ARG A 99 6.474 -9.969 7.714 1.00 2.55 H new ATOM 0 HD3 ARG A 99 7.566 -10.430 6.423 1.00 2.55 H new ATOM 0 HE ARG A 99 8.538 -9.392 9.073 1.00 30.24 H new ATOM 0 HH11 ARG A 99 8.824 -11.643 6.393 1.00 0.03 H new ATOM 0 HH12 ARG A 99 10.200 -12.473 7.126 1.00 0.03 H new ATOM 0 HH21 ARG A 99 10.221 -10.472 9.956 1.00 65.30 H new ATOM 0 HH22 ARG A 99 10.974 -11.822 9.101 1.00 65.30 H new ATOM 1661 N GLU A 100 5.470 -5.240 9.736 1.00 11.25 N ATOM 1662 CA GLU A 100 5.415 -4.280 10.861 1.00 41.24 C ATOM 1663 C GLU A 100 4.198 -4.609 11.766 1.00 23.43 C ATOM 1664 O GLU A 100 4.257 -4.467 12.994 1.00 64.12 O ATOM 1665 CB GLU A 100 5.384 -2.798 10.328 1.00 40.12 C ATOM 1666 CG GLU A 100 6.363 -1.821 11.046 1.00 34.52 C ATOM 1667 CD GLU A 100 6.070 -1.613 12.550 1.00 71.31 C ATOM 1668 OE1 GLU A 100 6.569 -2.397 13.396 1.00 14.52 O ATOM 1669 OE2 GLU A 100 5.321 -0.675 12.898 1.00 45.42 O ATOM 0 H GLU A 100 5.162 -4.851 8.845 1.00 11.25 H new ATOM 0 HA GLU A 100 6.316 -4.374 11.467 1.00 41.24 H new ATOM 0 HB2 GLU A 100 5.617 -2.805 9.263 1.00 40.12 H new ATOM 0 HB3 GLU A 100 4.370 -2.412 10.429 1.00 40.12 H new ATOM 0 HG2 GLU A 100 7.380 -2.198 10.935 1.00 34.52 H new ATOM 0 HG3 GLU A 100 6.325 -0.854 10.544 1.00 34.52 H new