USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 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 84 MET CE :methyl 170:sc= -2.38 (180deg=-2.89) USER MOD Set 1.2: A 88 ASN : amide:sc= -16! C(o=-18!,f=-19!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 138:sc= -6.65! (180deg=-10.2!) USER MOD Single : A 41 SER OG : rot -41:sc= 0.0485 USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= 0.231 (180deg=-0.241) USER MOD Single : A 44 ASN : amide:sc= -0.477 K(o=-0.48,f=-3.2!) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= -0.282 (180deg=-1.33!) USER MOD Single : A 53 THR OG1 : rot -172:sc= -0.404 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 96:sc= -0.322 USER MOD Single : A 73 ASN : amide:sc= 0.675 K(o=0.68,f=-1) USER MOD Single : A 74 GLN : amide:sc= -5.87! C(o=-5.9!,f=-8.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0634 X(o=0.063,f=0) USER MOD Single : A 82 SER OG : rot -131:sc= 1.66 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.2) USER MOD Single : A 85 MET CE :methyl 136:sc= -1.59 (180deg=-3.41!) USER MOD Single : A 86 GLN : amide:sc= -7.69! C(o=-7.7!,f=-9.8!) USER MOD Single : A 90 THR OG1 : rot 93:sc= 0.767 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.88) USER MOD Single : A 102 MET CE :methyl -160:sc= -9.31! (180deg=-11.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -0.0955 F(o=-0.85,f=-0.096) USER MOD Single : A 115 ASN :FLIP amide:sc= -1.47 F(o=-3.2!,f=-1.5) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.765 1.722 5.125 1.00 0.00 N ATOM 136 CA CYS A 33 -10.770 2.780 5.103 1.00 0.00 C ATOM 137 C CYS A 33 -10.388 3.051 3.646 1.00 0.00 C ATOM 138 O CYS A 33 -9.977 4.158 3.303 1.00 0.00 O ATOM 139 CB CYS A 33 -9.550 2.426 5.957 1.00 0.00 C ATOM 140 SG CYS A 33 -9.958 2.595 7.733 1.00 0.00 S ATOM 0 HA CYS A 33 -11.189 3.686 5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.231 1.406 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.716 3.080 5.703 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.916 2.290 8.448 1.00 0.00 H new ATOM 145 N LEU A 34 -10.537 2.020 2.828 1.00 0.00 N ATOM 146 CA LEU A 34 -10.213 2.132 1.416 1.00 0.00 C ATOM 147 C LEU A 34 -11.121 3.181 0.771 1.00 0.00 C ATOM 148 O LEU A 34 -10.862 3.629 -0.345 1.00 0.00 O ATOM 149 CB LEU A 34 -10.281 0.760 0.740 1.00 0.00 C ATOM 150 CG LEU A 34 -9.649 -0.400 1.512 1.00 0.00 C ATOM 151 CD1 LEU A 34 -9.114 -1.467 0.555 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.569 0.103 2.470 1.00 0.00 C ATOM 0 H LEU A 34 -10.878 1.103 3.116 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.186 2.475 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.328 0.520 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.794 0.832 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.424 -0.869 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.670 -2.280 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.932 -1.855 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.358 -1.027 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.136 -0.742 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.789 0.612 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.011 0.798 3.184 1.00 0.00 H new ATOM 163 N GLU A 35 -12.164 3.543 1.501 1.00 0.00 N ATOM 164 CA GLU A 35 -13.112 4.532 1.014 1.00 0.00 C ATOM 165 C GLU A 35 -12.716 5.929 1.495 1.00 0.00 C ATOM 166 O GLU A 35 -13.567 6.805 1.636 1.00 0.00 O ATOM 167 CB GLU A 35 -14.537 4.185 1.448 1.00 0.00 C ATOM 168 CG GLU A 35 -14.811 2.689 1.291 1.00 0.00 C ATOM 169 CD GLU A 35 -16.227 2.442 0.768 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.505 2.904 -0.359 1.00 0.00 O ATOM 171 OE2 GLU A 35 -17.001 1.796 1.508 1.00 0.00 O ATOM 0 H GLU A 35 -12.375 3.170 2.427 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.088 4.525 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.685 4.478 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.251 4.753 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.085 2.253 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.682 2.189 2.251 1.00 0.00 H new ATOM 176 N LYS A 36 -11.423 6.093 1.735 1.00 0.00 N ATOM 177 CA LYS A 36 -10.903 7.369 2.198 1.00 0.00 C ATOM 178 C LYS A 36 -10.262 8.110 1.023 1.00 0.00 C ATOM 179 O LYS A 36 -9.928 9.287 1.136 1.00 0.00 O ATOM 180 CB LYS A 36 -9.960 7.164 3.386 1.00 0.00 C ATOM 181 CG LYS A 36 -10.747 6.930 4.676 1.00 0.00 C ATOM 182 CD LYS A 36 -10.585 8.108 5.639 1.00 0.00 C ATOM 183 CE LYS A 36 -11.941 8.551 6.195 1.00 0.00 C ATOM 184 NZ LYS A 36 -12.347 7.682 7.322 1.00 0.00 N ATOM 0 H LYS A 36 -10.720 5.363 1.618 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.712 7.999 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.308 6.312 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.318 8.038 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.802 6.790 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.402 6.014 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.926 7.824 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.109 8.942 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.883 9.587 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.694 8.512 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.269 7.996 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.422 6.698 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.636 7.740 8.079 1.00 0.00 H new ATOM 194 N LYS A 37 -10.109 7.388 -0.078 1.00 0.00 N ATOM 195 CA LYS A 37 -9.513 7.962 -1.272 1.00 0.00 C ATOM 196 C LYS A 37 -8.152 8.564 -0.918 1.00 0.00 C ATOM 197 O LYS A 37 -7.768 8.598 0.250 1.00 0.00 O ATOM 198 CB LYS A 37 -10.475 8.958 -1.925 1.00 0.00 C ATOM 199 CG LYS A 37 -11.685 8.238 -2.525 1.00 0.00 C ATOM 200 CD LYS A 37 -12.953 8.538 -1.724 1.00 0.00 C ATOM 201 CE LYS A 37 -14.066 9.061 -2.635 1.00 0.00 C ATOM 202 NZ LYS A 37 -15.163 9.644 -1.831 1.00 0.00 N ATOM 0 H LYS A 37 -10.388 6.411 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.335 7.188 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.810 9.685 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.955 9.514 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.822 8.550 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.504 7.163 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.289 7.634 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.734 9.275 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.665 9.814 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.451 8.249 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.910 9.994 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.557 8.916 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.795 10.432 -1.261 1.00 0.00 H new ATOM 212 N VAL A 38 -7.458 9.022 -1.950 1.00 0.00 N ATOM 213 CA VAL A 38 -6.147 9.621 -1.763 1.00 0.00 C ATOM 214 C VAL A 38 -5.880 10.615 -2.895 1.00 0.00 C ATOM 215 O VAL A 38 -6.813 11.113 -3.523 1.00 0.00 O ATOM 216 CB VAL A 38 -5.081 8.528 -1.663 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.451 7.499 -0.592 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.860 7.853 -3.019 1.00 0.00 C ATOM 0 H VAL A 38 -7.779 8.990 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.111 10.177 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.144 8.999 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.677 6.733 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.535 7.995 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.404 7.036 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.098 7.080 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.793 7.402 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.532 8.596 -3.746 1.00 0.00 H new ATOM 228 N ASP A 39 -4.600 10.875 -3.121 1.00 0.00 N ATOM 229 CA ASP A 39 -4.197 11.801 -4.166 1.00 0.00 C ATOM 230 C ASP A 39 -2.670 11.840 -4.245 1.00 0.00 C ATOM 231 O ASP A 39 -2.027 12.611 -3.533 1.00 0.00 O ATOM 232 CB ASP A 39 -4.692 13.218 -3.867 1.00 0.00 C ATOM 233 CG ASP A 39 -5.151 14.014 -5.090 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.408 13.990 -6.095 1.00 0.00 O ATOM 235 OD2 ASP A 39 -6.236 14.628 -4.993 1.00 0.00 O ATOM 0 H ASP A 39 -3.829 10.460 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.630 11.459 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.520 13.156 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.892 13.769 -3.373 1.00 0.00 H new ATOM 239 N MET A 40 -2.133 11.002 -5.118 1.00 0.00 N ATOM 240 CA MET A 40 -0.693 10.931 -5.301 1.00 0.00 C ATOM 241 C MET A 40 -0.132 12.279 -5.759 1.00 0.00 C ATOM 242 O MET A 40 1.041 12.575 -5.537 1.00 0.00 O ATOM 243 CB MET A 40 -0.361 9.860 -6.341 1.00 0.00 C ATOM 244 CG MET A 40 -0.931 8.501 -5.929 1.00 0.00 C ATOM 245 SD MET A 40 0.090 7.771 -4.658 1.00 0.00 S ATOM 246 CE MET A 40 -0.581 8.582 -3.217 1.00 0.00 C ATOM 0 H MET A 40 -2.669 10.365 -5.707 1.00 0.00 H new ATOM 0 HA MET A 40 -0.237 10.674 -4.345 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.767 10.150 -7.310 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.720 9.785 -6.458 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.951 8.621 -5.564 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.978 7.840 -6.794 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.680 7.860 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.087 9.386 -2.908 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.561 8.996 -3.456 1.00 0.00 H new ATOM 254 N SER A 41 -0.996 13.059 -6.391 1.00 0.00 N ATOM 255 CA SER A 41 -0.601 14.368 -6.883 1.00 0.00 C ATOM 256 C SER A 41 -0.423 15.336 -5.711 1.00 0.00 C ATOM 257 O SER A 41 0.040 16.461 -5.895 1.00 0.00 O ATOM 258 CB SER A 41 -1.630 14.918 -7.874 1.00 0.00 C ATOM 259 OG SER A 41 -1.096 15.975 -8.665 1.00 0.00 O ATOM 0 H SER A 41 -1.968 12.810 -6.574 1.00 0.00 H new ATOM 0 HA SER A 41 0.349 14.264 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.971 14.114 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.502 15.278 -7.329 1.00 0.00 H new ATOM 0 HG SER A 41 -0.542 16.556 -8.103 1.00 0.00 H new ATOM 264 N LYS A 42 -0.801 14.863 -4.533 1.00 0.00 N ATOM 265 CA LYS A 42 -0.689 15.672 -3.331 1.00 0.00 C ATOM 266 C LYS A 42 0.282 15.001 -2.358 1.00 0.00 C ATOM 267 O LYS A 42 1.055 15.677 -1.682 1.00 0.00 O ATOM 268 CB LYS A 42 -2.072 15.939 -2.734 1.00 0.00 C ATOM 269 CG LYS A 42 -3.124 16.097 -3.835 1.00 0.00 C ATOM 270 CD LYS A 42 -2.926 17.408 -4.598 1.00 0.00 C ATOM 271 CE LYS A 42 -3.964 17.557 -5.712 1.00 0.00 C ATOM 272 NZ LYS A 42 -5.326 17.651 -5.140 1.00 0.00 N ATOM 0 H LYS A 42 -1.185 13.930 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.276 16.652 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.352 15.118 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.041 16.842 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.061 15.257 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.121 16.075 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.004 18.249 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.923 17.437 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.748 18.448 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.905 16.705 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.921 18.243 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.740 16.699 -5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.276 18.077 -4.193 1.00 0.00 H new ATOM 282 N VAL A 43 0.209 13.679 -2.317 1.00 0.00 N ATOM 283 CA VAL A 43 1.072 12.908 -1.438 1.00 0.00 C ATOM 284 C VAL A 43 2.102 12.149 -2.277 1.00 0.00 C ATOM 285 O VAL A 43 1.834 11.796 -3.424 1.00 0.00 O ATOM 286 CB VAL A 43 0.228 11.989 -0.551 1.00 0.00 C ATOM 287 CG1 VAL A 43 -1.146 11.735 -1.175 1.00 0.00 C ATOM 288 CG2 VAL A 43 0.958 10.672 -0.277 1.00 0.00 C ATOM 0 H VAL A 43 -0.435 13.122 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 43 1.623 13.568 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 43 0.074 12.492 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.725 11.079 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.671 12.682 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.021 11.262 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.338 10.037 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.156 10.163 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.901 10.877 0.229 1.00 0.00 H new ATOM 298 N ASN A 44 3.258 11.921 -1.672 1.00 0.00 N ATOM 299 CA ASN A 44 4.329 11.211 -2.350 1.00 0.00 C ATOM 300 C ASN A 44 4.192 9.711 -2.078 1.00 0.00 C ATOM 301 O ASN A 44 4.081 9.292 -0.928 1.00 0.00 O ATOM 302 CB ASN A 44 5.699 11.660 -1.837 1.00 0.00 C ATOM 303 CG ASN A 44 6.406 12.545 -2.865 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.945 12.736 -3.980 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.547 13.072 -2.432 1.00 0.00 N ATOM 0 H ASN A 44 3.477 12.215 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 44 4.254 11.426 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.580 12.207 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.314 10.787 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.094 13.677 -3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.875 12.871 -1.487 1.00 0.00 H new ATOM 311 N LEU A 45 4.205 8.944 -3.158 1.00 0.00 N ATOM 312 CA LEU A 45 4.083 7.500 -3.052 1.00 0.00 C ATOM 313 C LEU A 45 5.479 6.878 -2.982 1.00 0.00 C ATOM 314 O LEU A 45 5.639 5.751 -2.514 1.00 0.00 O ATOM 315 CB LEU A 45 3.220 6.949 -4.189 1.00 0.00 C ATOM 316 CG LEU A 45 3.970 6.231 -5.313 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.098 7.106 -5.865 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.481 4.866 -4.847 1.00 0.00 C ATOM 0 H LEU A 45 4.298 9.295 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 45 3.566 7.229 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.493 6.257 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.657 7.775 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 45 3.271 6.052 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.615 6.573 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.680 8.032 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.803 7.337 -5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.010 4.377 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.159 5.000 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.638 4.248 -4.539 1.00 0.00 H new ATOM 329 N GLU A 46 6.455 7.639 -3.456 1.00 0.00 N ATOM 330 CA GLU A 46 7.832 7.177 -3.453 1.00 0.00 C ATOM 331 C GLU A 46 8.294 6.890 -2.024 1.00 0.00 C ATOM 332 O GLU A 46 9.010 5.920 -1.781 1.00 0.00 O ATOM 333 CB GLU A 46 8.752 8.194 -4.132 1.00 0.00 C ATOM 334 CG GLU A 46 9.309 7.638 -5.445 1.00 0.00 C ATOM 335 CD GLU A 46 10.122 8.700 -6.189 1.00 0.00 C ATOM 336 OE1 GLU A 46 9.566 9.802 -6.392 1.00 0.00 O ATOM 337 OE2 GLU A 46 11.280 8.386 -6.539 1.00 0.00 O ATOM 0 H GLU A 46 6.319 8.572 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 46 7.884 6.250 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.202 9.114 -4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.574 8.450 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.938 6.771 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.489 7.295 -6.076 1.00 0.00 H new ATOM 342 N VAL A 47 7.865 7.751 -1.113 1.00 0.00 N ATOM 343 CA VAL A 47 8.225 7.603 0.287 1.00 0.00 C ATOM 344 C VAL A 47 7.511 6.379 0.865 1.00 0.00 C ATOM 345 O VAL A 47 7.763 5.991 2.004 1.00 0.00 O ATOM 346 CB VAL A 47 7.911 8.893 1.048 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.886 10.008 0.663 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.463 9.328 0.817 1.00 0.00 C ATOM 0 H VAL A 47 7.271 8.554 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 47 9.297 7.434 0.390 1.00 0.00 H new ATOM 0 HB VAL A 47 8.035 8.692 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.641 10.914 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.904 9.700 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.809 10.206 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.267 10.247 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.301 9.502 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.788 8.545 1.164 1.00 0.00 H new ATOM 358 N ILE A 48 6.635 5.806 0.053 1.00 0.00 N ATOM 359 CA ILE A 48 5.884 4.635 0.470 1.00 0.00 C ATOM 360 C ILE A 48 6.335 3.426 -0.352 1.00 0.00 C ATOM 361 O ILE A 48 5.754 2.347 -0.246 1.00 0.00 O ATOM 362 CB ILE A 48 4.380 4.906 0.390 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.098 6.408 0.304 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.642 4.250 1.558 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.375 7.095 1.643 1.00 0.00 C ATOM 0 H ILE A 48 6.429 6.131 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 48 6.088 4.405 1.516 1.00 0.00 H new ATOM 0 HB ILE A 48 3.999 4.454 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.718 6.854 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.060 6.571 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.575 4.458 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.805 3.173 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.020 4.651 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.167 8.161 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.736 6.663 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.420 6.951 1.917 1.00 0.00 H new ATOM 376 N LYS A 49 7.365 3.647 -1.154 1.00 0.00 N ATOM 377 CA LYS A 49 7.901 2.589 -1.995 1.00 0.00 C ATOM 378 C LYS A 49 8.605 1.553 -1.116 1.00 0.00 C ATOM 379 O LYS A 49 8.404 0.352 -1.286 1.00 0.00 O ATOM 380 CB LYS A 49 8.794 3.176 -3.090 1.00 0.00 C ATOM 381 CG LYS A 49 7.963 3.921 -4.135 1.00 0.00 C ATOM 382 CD LYS A 49 7.247 2.941 -5.068 1.00 0.00 C ATOM 383 CE LYS A 49 7.875 2.955 -6.463 1.00 0.00 C ATOM 384 NZ LYS A 49 7.886 4.329 -7.013 1.00 0.00 N ATOM 0 H LYS A 49 7.844 4.544 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 49 7.096 2.071 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.521 3.856 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.358 2.377 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.230 4.556 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.609 4.577 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.298 1.935 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.192 3.204 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.893 2.569 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.316 2.296 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.698 4.295 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.151 4.896 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.817 4.762 -6.846 1.00 0.00 H new ATOM 394 N PRO A 50 9.436 2.070 -0.172 1.00 0.00 N ATOM 395 CA PRO A 50 10.170 1.203 0.734 1.00 0.00 C ATOM 396 C PRO A 50 9.249 0.628 1.811 1.00 0.00 C ATOM 397 O PRO A 50 9.493 -0.463 2.324 1.00 0.00 O ATOM 398 CB PRO A 50 11.277 2.076 1.303 1.00 0.00 C ATOM 399 CG PRO A 50 10.844 3.512 1.056 1.00 0.00 C ATOM 400 CD PRO A 50 9.697 3.488 0.058 1.00 0.00 C ATOM 0 HA PRO A 50 10.587 0.329 0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.415 1.887 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.229 1.866 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.529 3.981 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.676 4.100 0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.816 3.994 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.967 3.996 -0.868 1.00 0.00 H new ATOM 405 N TRP A 51 8.207 1.387 2.121 1.00 0.00 N ATOM 406 CA TRP A 51 7.247 0.965 3.127 1.00 0.00 C ATOM 407 C TRP A 51 6.415 -0.176 2.538 1.00 0.00 C ATOM 408 O TRP A 51 6.223 -1.205 3.184 1.00 0.00 O ATOM 409 CB TRP A 51 6.395 2.145 3.599 1.00 0.00 C ATOM 410 CG TRP A 51 5.469 1.815 4.771 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.671 2.054 6.074 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.180 1.172 4.693 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.610 1.613 6.839 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.674 1.060 5.972 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.464 0.701 3.579 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.432 0.479 6.257 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.225 0.122 3.880 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.702 0.002 5.162 1.00 0.00 C ATOM 0 H TRP A 51 8.007 2.291 1.693 1.00 0.00 H new ATOM 0 HA TRP A 51 7.757 0.599 4.018 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.055 2.963 3.890 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.793 2.502 2.763 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.553 2.531 6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.528 1.680 7.853 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.840 0.780 2.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 2.058 0.403 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.635 -0.258 3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.736 -0.457 5.313 1.00 0.00 H new ATOM 428 N ILE A 52 5.944 0.045 1.320 1.00 0.00 N ATOM 429 CA ILE A 52 5.137 -0.952 0.638 1.00 0.00 C ATOM 430 C ILE A 52 5.973 -2.215 0.418 1.00 0.00 C ATOM 431 O ILE A 52 5.540 -3.316 0.751 1.00 0.00 O ATOM 432 CB ILE A 52 4.546 -0.374 -0.649 1.00 0.00 C ATOM 433 CG1 ILE A 52 3.196 0.296 -0.380 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.447 -1.444 -1.737 1.00 0.00 C ATOM 435 CD1 ILE A 52 3.240 1.782 -0.739 1.00 0.00 C ATOM 0 H ILE A 52 6.106 0.900 0.788 1.00 0.00 H new ATOM 0 HA ILE A 52 4.284 -1.237 1.253 1.00 0.00 H new ATOM 0 HB ILE A 52 5.222 0.398 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.418 -0.199 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.931 0.180 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.024 -1.006 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.441 -1.835 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.806 -2.255 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.268 2.234 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.002 2.279 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.481 1.894 -1.796 1.00 0.00 H new ATOM 446 N THR A 53 7.156 -2.012 -0.143 1.00 0.00 N ATOM 447 CA THR A 53 8.056 -3.120 -0.412 1.00 0.00 C ATOM 448 C THR A 53 8.425 -3.835 0.889 1.00 0.00 C ATOM 449 O THR A 53 8.533 -5.060 0.920 1.00 0.00 O ATOM 450 CB THR A 53 9.268 -2.572 -1.169 1.00 0.00 C ATOM 451 OG1 THR A 53 8.768 -2.300 -2.475 1.00 0.00 O ATOM 452 CG2 THR A 53 10.346 -3.634 -1.397 1.00 0.00 C ATOM 0 H THR A 53 7.512 -1.097 -0.419 1.00 0.00 H new ATOM 0 HA THR A 53 7.578 -3.875 -1.037 1.00 0.00 H new ATOM 0 HB THR A 53 9.694 -1.736 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.512 -2.061 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.183 -3.193 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.694 -4.012 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.930 -4.455 -1.980 1.00 0.00 H new ATOM 460 N LYS A 54 8.609 -3.040 1.933 1.00 0.00 N ATOM 461 CA LYS A 54 8.963 -3.580 3.234 1.00 0.00 C ATOM 462 C LYS A 54 7.750 -4.296 3.832 1.00 0.00 C ATOM 463 O LYS A 54 7.894 -5.319 4.499 1.00 0.00 O ATOM 464 CB LYS A 54 9.535 -2.484 4.134 1.00 0.00 C ATOM 465 CG LYS A 54 9.942 -3.048 5.496 1.00 0.00 C ATOM 466 CD LYS A 54 10.375 -1.929 6.446 1.00 0.00 C ATOM 467 CE LYS A 54 11.268 -2.473 7.562 1.00 0.00 C ATOM 468 NZ LYS A 54 11.866 -1.362 8.335 1.00 0.00 N ATOM 0 H LYS A 54 8.519 -2.024 1.904 1.00 0.00 H new ATOM 0 HA LYS A 54 9.755 -4.322 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.400 -2.028 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.794 -1.697 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.106 -3.596 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.758 -3.759 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.911 -1.161 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.495 -1.453 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.684 -3.112 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.057 -3.093 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.469 -1.749 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.440 -0.768 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.110 -0.787 8.758 1.00 0.00 H new ATOM 478 N ARG A 55 6.581 -3.729 3.571 1.00 0.00 N ATOM 479 CA ARG A 55 5.344 -4.300 4.075 1.00 0.00 C ATOM 480 C ARG A 55 5.011 -5.592 3.327 1.00 0.00 C ATOM 481 O ARG A 55 4.730 -6.618 3.945 1.00 0.00 O ATOM 482 CB ARG A 55 4.181 -3.317 3.921 1.00 0.00 C ATOM 483 CG ARG A 55 4.009 -2.470 5.183 1.00 0.00 C ATOM 484 CD ARG A 55 3.428 -3.301 6.328 1.00 0.00 C ATOM 485 NE ARG A 55 3.590 -2.583 7.611 1.00 0.00 N ATOM 486 CZ ARG A 55 3.322 -3.115 8.810 1.00 0.00 C ATOM 487 NH1 ARG A 55 2.877 -4.376 8.899 1.00 0.00 N ATOM 488 NH2 ARG A 55 3.499 -2.388 9.921 1.00 0.00 N ATOM 0 H ARG A 55 6.465 -2.880 3.017 1.00 0.00 H new ATOM 0 HA ARG A 55 5.486 -4.516 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.360 -2.667 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.261 -3.865 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.972 -2.057 5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.352 -1.626 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.372 -3.499 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.930 -4.267 6.377 1.00 0.00 H new ATOM 0 HE ARG A 55 3.928 -1.621 7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.743 -4.930 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.673 -4.781 9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.838 -1.428 9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.295 -2.794 10.834 1.00 0.00 H new ATOM 499 N VAL A 56 5.056 -5.502 2.005 1.00 0.00 N ATOM 500 CA VAL A 56 4.763 -6.651 1.166 1.00 0.00 C ATOM 501 C VAL A 56 5.812 -7.737 1.413 1.00 0.00 C ATOM 502 O VAL A 56 5.477 -8.916 1.517 1.00 0.00 O ATOM 503 CB VAL A 56 4.682 -6.221 -0.300 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.512 -5.260 -0.525 1.00 0.00 C ATOM 505 CG2 VAL A 56 6.001 -5.598 -0.763 1.00 0.00 C ATOM 0 H VAL A 56 5.291 -4.651 1.495 1.00 0.00 H new ATOM 0 HA VAL A 56 3.791 -7.073 1.421 1.00 0.00 H new ATOM 0 HB VAL A 56 4.504 -7.112 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.477 -4.969 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.579 -5.753 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.646 -4.372 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.916 -5.301 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.223 -4.722 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.805 -6.327 -0.657 1.00 0.00 H new ATOM 515 N THR A 57 7.060 -7.302 1.499 1.00 0.00 N ATOM 516 CA THR A 57 8.159 -8.223 1.732 1.00 0.00 C ATOM 517 C THR A 57 8.029 -8.872 3.111 1.00 0.00 C ATOM 518 O THR A 57 8.279 -10.066 3.266 1.00 0.00 O ATOM 519 CB THR A 57 9.468 -7.454 1.543 1.00 0.00 C ATOM 520 OG1 THR A 57 9.468 -7.099 0.163 1.00 0.00 O ATOM 521 CG2 THR A 57 10.701 -8.347 1.699 1.00 0.00 C ATOM 0 H THR A 57 7.335 -6.324 1.411 1.00 0.00 H new ATOM 0 HA THR A 57 8.143 -9.046 1.018 1.00 0.00 H new ATOM 0 HB THR A 57 9.517 -6.640 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.115 -6.191 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.602 -7.751 1.555 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.710 -8.783 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.670 -9.143 0.955 1.00 0.00 H new ATOM 529 N GLU A 58 7.639 -8.055 4.079 1.00 0.00 N ATOM 530 CA GLU A 58 7.472 -8.534 5.441 1.00 0.00 C ATOM 531 C GLU A 58 6.209 -9.390 5.552 1.00 0.00 C ATOM 532 O GLU A 58 6.141 -10.299 6.378 1.00 0.00 O ATOM 533 CB GLU A 58 7.433 -7.369 6.432 1.00 0.00 C ATOM 534 CG GLU A 58 8.847 -6.914 6.798 1.00 0.00 C ATOM 535 CD GLU A 58 8.934 -6.532 8.277 1.00 0.00 C ATOM 536 OE1 GLU A 58 8.685 -7.430 9.110 1.00 0.00 O ATOM 537 OE2 GLU A 58 9.247 -5.351 8.542 1.00 0.00 O ATOM 0 H GLU A 58 7.434 -7.065 3.947 1.00 0.00 H new ATOM 0 HA GLU A 58 8.332 -9.155 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.880 -6.536 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.899 -7.671 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.557 -7.712 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.130 -6.061 6.181 1.00 0.00 H new ATOM 542 N ILE A 59 5.240 -9.071 4.706 1.00 0.00 N ATOM 543 CA ILE A 59 3.983 -9.800 4.698 1.00 0.00 C ATOM 544 C ILE A 59 4.262 -11.286 4.461 1.00 0.00 C ATOM 545 O ILE A 59 3.730 -12.140 5.169 1.00 0.00 O ATOM 546 CB ILE A 59 3.015 -9.186 3.684 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.316 -7.957 4.268 1.00 0.00 C ATOM 548 CG2 ILE A 59 2.015 -10.230 3.182 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.899 -6.986 3.162 1.00 0.00 C ATOM 0 H ILE A 59 5.300 -8.317 4.021 1.00 0.00 H new ATOM 0 HA ILE A 59 3.488 -9.719 5.666 1.00 0.00 H new ATOM 0 HB ILE A 59 3.590 -8.849 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.438 -8.268 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.983 -7.453 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.338 -9.769 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.553 -11.048 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.441 -10.618 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.404 -6.121 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.782 -6.658 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.213 -7.486 2.478 1.00 0.00 H new ATOM 560 N LEU A 60 5.093 -11.547 3.464 1.00 0.00 N ATOM 561 CA LEU A 60 5.449 -12.915 3.125 1.00 0.00 C ATOM 562 C LEU A 60 6.815 -13.247 3.730 1.00 0.00 C ATOM 563 O LEU A 60 6.986 -14.300 4.343 1.00 0.00 O ATOM 564 CB LEU A 60 5.377 -13.128 1.612 1.00 0.00 C ATOM 565 CG LEU A 60 5.034 -11.893 0.776 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.297 -11.107 0.416 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.226 -12.278 -0.465 1.00 0.00 C ATOM 0 H LEU A 60 5.531 -10.835 2.879 1.00 0.00 H new ATOM 0 HA LEU A 60 4.732 -13.614 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.338 -13.516 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.633 -13.898 1.409 1.00 0.00 H new ATOM 0 HG LEU A 60 4.406 -11.236 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.026 -10.234 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.797 -10.783 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.970 -11.743 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.995 -11.382 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.808 -12.965 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.298 -12.762 -0.159 1.00 0.00 H new ATOM 578 N GLY A 61 7.750 -12.331 3.535 1.00 0.00 N ATOM 579 CA GLY A 61 9.096 -12.513 4.053 1.00 0.00 C ATOM 580 C GLY A 61 10.138 -12.337 2.946 1.00 0.00 C ATOM 581 O GLY A 61 11.335 -12.269 3.221 1.00 0.00 O ATOM 0 H GLY A 61 7.603 -11.460 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.283 -11.794 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.190 -13.507 4.491 1.00 0.00 H new ATOM 585 N PHE A 62 9.645 -12.269 1.718 1.00 0.00 N ATOM 586 CA PHE A 62 10.519 -12.103 0.569 1.00 0.00 C ATOM 587 C PHE A 62 10.058 -10.936 -0.306 1.00 0.00 C ATOM 588 O PHE A 62 8.878 -10.584 -0.307 1.00 0.00 O ATOM 589 CB PHE A 62 10.438 -13.396 -0.245 1.00 0.00 C ATOM 590 CG PHE A 62 9.021 -13.954 -0.390 1.00 0.00 C ATOM 591 CD1 PHE A 62 8.206 -13.490 -1.375 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.576 -14.913 0.465 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.891 -14.007 -1.510 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.261 -15.430 0.330 1.00 0.00 C ATOM 595 CZ PHE A 62 6.446 -14.966 -0.655 1.00 0.00 C ATOM 0 H PHE A 62 8.652 -12.326 1.494 1.00 0.00 H new ATOM 0 HA PHE A 62 11.536 -11.894 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.849 -13.214 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.068 -14.150 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.559 -12.728 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.223 -15.281 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.244 -13.639 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.908 -16.192 1.009 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.445 -15.359 -0.758 1.00 0.00 H new ATOM 604 N GLU A 63 11.011 -10.367 -1.028 1.00 0.00 N ATOM 605 CA GLU A 63 10.718 -9.247 -1.905 1.00 0.00 C ATOM 606 C GLU A 63 9.932 -9.721 -3.130 1.00 0.00 C ATOM 607 O GLU A 63 10.467 -10.435 -3.977 1.00 0.00 O ATOM 608 CB GLU A 63 12.001 -8.526 -2.324 1.00 0.00 C ATOM 609 CG GLU A 63 11.686 -7.194 -3.007 1.00 0.00 C ATOM 610 CD GLU A 63 12.561 -6.991 -4.245 1.00 0.00 C ATOM 611 OE1 GLU A 63 12.296 -7.689 -5.248 1.00 0.00 O ATOM 612 OE2 GLU A 63 13.476 -6.144 -4.161 1.00 0.00 O ATOM 0 H GLU A 63 11.988 -10.661 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 63 10.103 -8.535 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.626 -8.350 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.573 -9.160 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.634 -7.168 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.847 -6.375 -2.306 1.00 0.00 H new ATOM 617 N ASP A 64 8.675 -9.306 -3.183 1.00 0.00 N ATOM 618 CA ASP A 64 7.810 -9.681 -4.289 1.00 0.00 C ATOM 619 C ASP A 64 8.204 -8.880 -5.533 1.00 0.00 C ATOM 620 O ASP A 64 9.362 -8.497 -5.687 1.00 0.00 O ATOM 621 CB ASP A 64 6.346 -9.372 -3.972 1.00 0.00 C ATOM 622 CG ASP A 64 5.925 -9.642 -2.526 1.00 0.00 C ATOM 623 OD1 ASP A 64 5.648 -10.823 -2.228 1.00 0.00 O ATOM 624 OD2 ASP A 64 5.892 -8.661 -1.752 1.00 0.00 O ATOM 0 H ASP A 64 8.235 -8.714 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 64 7.924 -10.752 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.154 -8.324 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.714 -9.963 -4.635 1.00 0.00 H new ATOM 628 N ASP A 65 7.217 -8.652 -6.387 1.00 0.00 N ATOM 629 CA ASP A 65 7.447 -7.905 -7.612 1.00 0.00 C ATOM 630 C ASP A 65 6.100 -7.564 -8.256 1.00 0.00 C ATOM 631 O ASP A 65 5.831 -6.404 -8.564 1.00 0.00 O ATOM 632 CB ASP A 65 8.257 -8.727 -8.616 1.00 0.00 C ATOM 633 CG ASP A 65 9.725 -8.319 -8.750 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.990 -7.105 -8.619 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.548 -9.231 -8.982 1.00 0.00 O ATOM 0 H ASP A 65 6.257 -8.971 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 65 8.001 -7.002 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.212 -9.776 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.783 -8.648 -9.594 1.00 0.00 H new ATOM 639 N VAL A 66 5.291 -8.597 -8.439 1.00 0.00 N ATOM 640 CA VAL A 66 3.980 -8.421 -9.041 1.00 0.00 C ATOM 641 C VAL A 66 3.113 -7.560 -8.122 1.00 0.00 C ATOM 642 O VAL A 66 2.418 -6.656 -8.585 1.00 0.00 O ATOM 643 CB VAL A 66 3.357 -9.786 -9.345 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.425 -10.227 -8.214 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.621 -9.766 -10.686 1.00 0.00 C ATOM 0 H VAL A 66 5.517 -9.558 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 66 4.064 -7.897 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 66 4.164 -10.515 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.996 -11.199 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.990 -10.300 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.625 -9.496 -8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.188 -10.748 -10.878 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.828 -9.019 -10.655 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.322 -9.517 -11.482 1.00 0.00 H new ATOM 655 N VAL A 67 3.181 -7.870 -6.835 1.00 0.00 N ATOM 656 CA VAL A 67 2.411 -7.135 -5.846 1.00 0.00 C ATOM 657 C VAL A 67 2.993 -5.729 -5.695 1.00 0.00 C ATOM 658 O VAL A 67 2.250 -4.753 -5.594 1.00 0.00 O ATOM 659 CB VAL A 67 2.374 -7.912 -4.529 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.461 -9.419 -4.778 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.485 -7.447 -3.586 1.00 0.00 C ATOM 0 H VAL A 67 3.758 -8.620 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 67 1.377 -7.025 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 67 1.418 -7.707 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.433 -9.947 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.619 -9.735 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.394 -9.649 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.436 -8.016 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.454 -7.607 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.358 -6.386 -3.369 1.00 0.00 H new ATOM 671 N ILE A 68 4.317 -5.668 -5.684 1.00 0.00 N ATOM 672 CA ILE A 68 5.007 -4.397 -5.546 1.00 0.00 C ATOM 673 C ILE A 68 4.668 -3.506 -6.743 1.00 0.00 C ATOM 674 O ILE A 68 4.358 -2.328 -6.574 1.00 0.00 O ATOM 675 CB ILE A 68 6.508 -4.621 -5.353 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.782 -5.435 -4.086 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.265 -3.293 -5.355 1.00 0.00 C ATOM 678 CD1 ILE A 68 8.117 -6.176 -4.189 1.00 0.00 C ATOM 0 H ILE A 68 4.930 -6.479 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 68 4.668 -3.874 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 68 6.878 -5.203 -6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.795 -4.773 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.976 -6.151 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.330 -3.481 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.107 -2.786 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.899 -2.664 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.288 -6.747 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.092 -6.855 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.924 -5.455 -4.323 1.00 0.00 H new ATOM 689 N GLU A 69 4.739 -4.102 -7.924 1.00 0.00 N ATOM 690 CA GLU A 69 4.444 -3.376 -9.147 1.00 0.00 C ATOM 691 C GLU A 69 2.993 -2.889 -9.138 1.00 0.00 C ATOM 692 O GLU A 69 2.708 -1.770 -9.561 1.00 0.00 O ATOM 693 CB GLU A 69 4.724 -4.239 -10.378 1.00 0.00 C ATOM 694 CG GLU A 69 6.022 -3.810 -11.065 1.00 0.00 C ATOM 695 CD GLU A 69 5.840 -3.735 -12.582 1.00 0.00 C ATOM 696 OE1 GLU A 69 5.505 -4.788 -13.167 1.00 0.00 O ATOM 697 OE2 GLU A 69 6.041 -2.626 -13.124 1.00 0.00 O ATOM 0 H GLU A 69 4.997 -5.080 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 69 5.099 -2.506 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.793 -5.286 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.893 -4.159 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.335 -2.838 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.816 -4.517 -10.825 1.00 0.00 H new ATOM 702 N PHE A 70 2.115 -3.753 -8.652 1.00 0.00 N ATOM 703 CA PHE A 70 0.701 -3.426 -8.582 1.00 0.00 C ATOM 704 C PHE A 70 0.474 -2.149 -7.769 1.00 0.00 C ATOM 705 O PHE A 70 -0.276 -1.269 -8.186 1.00 0.00 O ATOM 706 CB PHE A 70 0.005 -4.594 -7.880 1.00 0.00 C ATOM 707 CG PHE A 70 -0.616 -5.613 -8.837 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.491 -5.203 -9.794 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.292 -6.930 -8.731 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.067 -6.150 -10.682 1.00 0.00 C ATOM 711 CE2 PHE A 70 -0.867 -7.877 -9.620 1.00 0.00 C ATOM 712 CZ PHE A 70 -1.743 -7.466 -10.575 1.00 0.00 C ATOM 0 H PHE A 70 2.356 -4.681 -8.302 1.00 0.00 H new ATOM 0 HA PHE A 70 0.307 -3.262 -9.585 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.727 -5.103 -7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.775 -4.200 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.748 -4.157 -9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.403 -7.256 -7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.762 -5.825 -11.442 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.609 -8.922 -9.537 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.182 -8.186 -11.250 1.00 0.00 H new ATOM 721 N ILE A 71 1.136 -2.090 -6.622 1.00 0.00 N ATOM 722 CA ILE A 71 1.015 -0.937 -5.748 1.00 0.00 C ATOM 723 C ILE A 71 1.722 0.259 -6.388 1.00 0.00 C ATOM 724 O ILE A 71 1.178 1.363 -6.419 1.00 0.00 O ATOM 725 CB ILE A 71 1.524 -1.273 -4.344 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.746 -2.446 -3.746 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.491 -0.040 -3.439 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.689 -3.577 -3.334 1.00 0.00 C ATOM 0 H ILE A 71 1.757 -2.822 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.032 -0.661 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 71 2.565 -1.585 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.179 -2.107 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.024 -2.817 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.858 -0.306 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.124 0.739 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.468 0.327 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.110 -4.398 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.237 -3.931 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.394 -3.210 -2.588 1.00 0.00 H new ATOM 739 N PHE A 72 2.923 0.001 -6.883 1.00 0.00 N ATOM 740 CA PHE A 72 3.711 1.042 -7.521 1.00 0.00 C ATOM 741 C PHE A 72 3.002 1.579 -8.767 1.00 0.00 C ATOM 742 O PHE A 72 2.876 2.790 -8.940 1.00 0.00 O ATOM 743 CB PHE A 72 5.039 0.408 -7.937 1.00 0.00 C ATOM 744 CG PHE A 72 5.981 0.114 -6.768 1.00 0.00 C ATOM 745 CD1 PHE A 72 5.504 0.111 -5.494 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.296 -0.144 -7.003 1.00 0.00 C ATOM 747 CE1 PHE A 72 6.378 -0.163 -4.410 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.170 -0.418 -5.917 1.00 0.00 C ATOM 749 CZ PHE A 72 7.693 -0.421 -4.644 1.00 0.00 C ATOM 0 H PHE A 72 3.370 -0.915 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 72 3.857 1.874 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.835 -0.521 -8.469 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.543 1.073 -8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.460 0.317 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.675 -0.141 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.999 -0.167 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.214 -0.624 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.358 -0.628 -3.819 1.00 0.00 H new ATOM 758 N ASN A 73 2.560 0.651 -9.603 1.00 0.00 N ATOM 759 CA ASN A 73 1.869 1.016 -10.828 1.00 0.00 C ATOM 760 C ASN A 73 0.579 1.762 -10.477 1.00 0.00 C ATOM 761 O ASN A 73 0.214 2.726 -11.148 1.00 0.00 O ATOM 762 CB ASN A 73 1.491 -0.227 -11.637 1.00 0.00 C ATOM 763 CG ASN A 73 2.667 -0.701 -12.493 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.680 -0.564 -13.706 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.650 -1.265 -11.798 1.00 0.00 N ATOM 0 H ASN A 73 2.667 -0.353 -9.456 1.00 0.00 H new ATOM 0 HA ASN A 73 2.537 1.642 -11.419 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.183 -1.025 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.637 -0.003 -12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.479 -1.615 -12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.575 -1.348 -10.784 1.00 0.00 H new ATOM 771 N GLN A 74 -0.074 1.288 -9.427 1.00 0.00 N ATOM 772 CA GLN A 74 -1.315 1.898 -8.980 1.00 0.00 C ATOM 773 C GLN A 74 -1.033 3.242 -8.307 1.00 0.00 C ATOM 774 O GLN A 74 -1.791 4.196 -8.474 1.00 0.00 O ATOM 775 CB GLN A 74 -2.078 0.963 -8.039 1.00 0.00 C ATOM 776 CG GLN A 74 -2.915 -0.046 -8.828 1.00 0.00 C ATOM 777 CD GLN A 74 -2.163 -0.531 -10.069 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.915 0.210 -11.006 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.814 -1.814 -10.023 1.00 0.00 N ATOM 0 H GLN A 74 0.232 0.489 -8.872 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.945 2.075 -9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.374 0.434 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.727 1.548 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.161 -0.896 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.858 0.412 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.053 -2.379 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.307 -2.233 -10.803 1.00 0.00 H new ATOM 786 N LEU A 75 0.061 3.276 -7.558 1.00 0.00 N ATOM 787 CA LEU A 75 0.452 4.487 -6.859 1.00 0.00 C ATOM 788 C LEU A 75 1.139 5.438 -7.841 1.00 0.00 C ATOM 789 O LEU A 75 1.512 6.552 -7.474 1.00 0.00 O ATOM 790 CB LEU A 75 1.303 4.147 -5.634 1.00 0.00 C ATOM 791 CG LEU A 75 0.562 3.504 -4.460 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.476 3.376 -3.239 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.722 4.269 -4.136 1.00 0.00 C ATOM 0 H LEU A 75 0.688 2.483 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.426 5.006 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.101 3.474 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.778 5.062 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 75 0.270 2.495 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.925 2.916 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.336 2.755 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.819 4.365 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.229 3.791 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.476 5.298 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.378 4.265 -5.007 1.00 0.00 H new ATOM 804 N GLU A 76 1.287 4.964 -9.069 1.00 0.00 N ATOM 805 CA GLU A 76 1.922 5.758 -10.107 1.00 0.00 C ATOM 806 C GLU A 76 0.905 6.700 -10.753 1.00 0.00 C ATOM 807 O GLU A 76 1.263 7.524 -11.594 1.00 0.00 O ATOM 808 CB GLU A 76 2.583 4.862 -11.156 1.00 0.00 C ATOM 809 CG GLU A 76 4.021 4.521 -10.759 1.00 0.00 C ATOM 810 CD GLU A 76 5.010 4.982 -11.831 1.00 0.00 C ATOM 811 OE1 GLU A 76 4.733 4.702 -13.017 1.00 0.00 O ATOM 812 OE2 GLU A 76 6.021 5.605 -11.441 1.00 0.00 O ATOM 0 H GLU A 76 0.978 4.039 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 76 2.705 6.361 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.006 3.944 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.578 5.364 -12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.262 4.997 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.116 3.445 -10.610 1.00 0.00 H new ATOM 817 N VAL A 77 -0.343 6.547 -10.335 1.00 0.00 N ATOM 818 CA VAL A 77 -1.415 7.375 -10.863 1.00 0.00 C ATOM 819 C VAL A 77 -1.750 8.473 -9.853 1.00 0.00 C ATOM 820 O VAL A 77 -1.074 8.614 -8.835 1.00 0.00 O ATOM 821 CB VAL A 77 -2.621 6.503 -11.220 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.188 5.264 -12.007 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.405 6.110 -9.967 1.00 0.00 C ATOM 0 H VAL A 77 -0.636 5.863 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.101 7.866 -11.784 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.282 7.091 -11.857 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.064 4.662 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.695 5.572 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.496 4.674 -11.405 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.256 5.491 -10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.757 5.550 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.761 7.009 -9.464 1.00 0.00 H new ATOM 833 N LYS A 78 -2.795 9.224 -10.168 1.00 0.00 N ATOM 834 CA LYS A 78 -3.228 10.306 -9.301 1.00 0.00 C ATOM 835 C LYS A 78 -4.438 9.847 -8.485 1.00 0.00 C ATOM 836 O LYS A 78 -4.765 10.446 -7.462 1.00 0.00 O ATOM 837 CB LYS A 78 -3.481 11.578 -10.115 1.00 0.00 C ATOM 838 CG LYS A 78 -2.226 11.997 -10.881 1.00 0.00 C ATOM 839 CD LYS A 78 -2.218 11.400 -12.290 1.00 0.00 C ATOM 840 CE LYS A 78 -0.811 11.430 -12.890 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.867 11.791 -14.324 1.00 0.00 N ATOM 0 H LYS A 78 -3.355 9.104 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.442 10.562 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.299 11.409 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.791 12.384 -9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.179 13.084 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.339 11.670 -10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.581 10.373 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.902 11.958 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.195 12.150 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.338 10.455 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.096 11.807 -14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.438 11.089 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.299 12.731 -14.429 1.00 0.00 H new ATOM 851 N ASN A 79 -5.072 8.789 -8.970 1.00 0.00 N ATOM 852 CA ASN A 79 -6.238 8.243 -8.299 1.00 0.00 C ATOM 853 C ASN A 79 -6.159 6.715 -8.310 1.00 0.00 C ATOM 854 O ASN A 79 -6.730 6.066 -9.186 1.00 0.00 O ATOM 855 CB ASN A 79 -7.527 8.654 -9.012 1.00 0.00 C ATOM 856 CG ASN A 79 -8.339 9.630 -8.159 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.508 9.424 -7.875 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.657 10.703 -7.767 1.00 0.00 N ATOM 0 H ASN A 79 -4.799 8.296 -9.820 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.251 8.629 -7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.286 9.116 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.126 7.769 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.111 11.414 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.680 10.814 -8.040 1.00 0.00 H new ATOM 864 N PRO A 80 -5.428 6.169 -7.302 1.00 0.00 N ATOM 865 CA PRO A 80 -5.266 4.730 -7.188 1.00 0.00 C ATOM 866 C PRO A 80 -6.545 4.075 -6.660 1.00 0.00 C ATOM 867 O PRO A 80 -7.318 4.705 -5.941 1.00 0.00 O ATOM 868 CB PRO A 80 -4.076 4.539 -6.261 1.00 0.00 C ATOM 869 CG PRO A 80 -3.906 5.859 -5.524 1.00 0.00 C ATOM 870 CD PRO A 80 -4.737 6.906 -6.247 1.00 0.00 C ATOM 0 HA PRO A 80 -5.086 4.250 -8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.252 3.721 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.178 4.288 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.231 5.762 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.856 6.152 -5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.445 7.386 -5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.108 7.694 -6.661 1.00 0.00 H new ATOM 875 N ASP A 81 -6.727 2.818 -7.040 1.00 0.00 N ATOM 876 CA ASP A 81 -7.899 2.071 -6.615 1.00 0.00 C ATOM 877 C ASP A 81 -7.498 1.083 -5.518 1.00 0.00 C ATOM 878 O ASP A 81 -7.116 -0.051 -5.807 1.00 0.00 O ATOM 879 CB ASP A 81 -8.493 1.272 -7.776 1.00 0.00 C ATOM 880 CG ASP A 81 -9.704 0.409 -7.414 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.580 0.935 -6.694 1.00 0.00 O ATOM 882 OD2 ASP A 81 -9.727 -0.755 -7.867 1.00 0.00 O ATOM 0 H ASP A 81 -6.083 2.299 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.639 2.783 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.783 1.966 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.717 0.628 -8.189 1.00 0.00 H new ATOM 886 N SER A 82 -7.598 1.549 -4.281 1.00 0.00 N ATOM 887 CA SER A 82 -7.250 0.720 -3.139 1.00 0.00 C ATOM 888 C SER A 82 -7.893 -0.661 -3.279 1.00 0.00 C ATOM 889 O SER A 82 -7.419 -1.634 -2.694 1.00 0.00 O ATOM 890 CB SER A 82 -7.685 1.378 -1.829 1.00 0.00 C ATOM 891 OG SER A 82 -8.838 2.198 -2.000 1.00 0.00 O ATOM 0 H SER A 82 -7.915 2.489 -4.045 1.00 0.00 H new ATOM 0 HA SER A 82 -6.166 0.608 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.896 0.607 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.866 1.981 -1.437 1.00 0.00 H new ATOM 0 HG SER A 82 -8.681 3.073 -1.587 1.00 0.00 H new ATOM 896 N LYS A 83 -8.965 -0.703 -4.058 1.00 0.00 N ATOM 897 CA LYS A 83 -9.679 -1.949 -4.282 1.00 0.00 C ATOM 898 C LYS A 83 -8.798 -2.896 -5.099 1.00 0.00 C ATOM 899 O LYS A 83 -8.631 -4.060 -4.738 1.00 0.00 O ATOM 900 CB LYS A 83 -11.044 -1.677 -4.918 1.00 0.00 C ATOM 901 CG LYS A 83 -11.708 -0.451 -4.288 1.00 0.00 C ATOM 902 CD LYS A 83 -11.615 -0.502 -2.762 1.00 0.00 C ATOM 903 CE LYS A 83 -12.208 0.762 -2.135 1.00 0.00 C ATOM 904 NZ LYS A 83 -13.566 0.494 -1.614 1.00 0.00 N ATOM 0 H LYS A 83 -9.356 0.106 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.888 -2.445 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.925 -1.520 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.687 -2.548 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.228 0.456 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.754 -0.403 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.144 -1.379 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.573 -0.607 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.564 1.111 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.248 1.559 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.038 1.395 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.117 -0.020 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.499 -0.081 -0.750 1.00 0.00 H new ATOM 914 N MET A 84 -8.256 -2.363 -6.184 1.00 0.00 N ATOM 915 CA MET A 84 -7.397 -3.146 -7.054 1.00 0.00 C ATOM 916 C MET A 84 -6.057 -3.446 -6.378 1.00 0.00 C ATOM 917 O MET A 84 -5.447 -4.484 -6.631 1.00 0.00 O ATOM 918 CB MET A 84 -7.151 -2.378 -8.355 1.00 0.00 C ATOM 919 CG MET A 84 -8.047 -2.903 -9.479 1.00 0.00 C ATOM 920 SD MET A 84 -7.157 -4.095 -10.466 1.00 0.00 S ATOM 921 CE MET A 84 -7.103 -5.465 -9.323 1.00 0.00 C ATOM 0 H MET A 84 -8.396 -1.397 -6.480 1.00 0.00 H new ATOM 0 HA MET A 84 -7.895 -4.092 -7.268 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.344 -1.317 -8.197 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.105 -2.472 -8.645 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.941 -3.363 -9.057 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.380 -2.076 -10.106 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.739 -6.354 -9.838 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.433 -5.224 -8.498 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.104 -5.654 -8.934 1.00 0.00 H new ATOM 929 N MET A 85 -5.639 -2.518 -5.529 1.00 0.00 N ATOM 930 CA MET A 85 -4.384 -2.670 -4.813 1.00 0.00 C ATOM 931 C MET A 85 -4.424 -3.887 -3.887 1.00 0.00 C ATOM 932 O MET A 85 -3.548 -4.749 -3.951 1.00 0.00 O ATOM 933 CB MET A 85 -4.110 -1.411 -3.989 1.00 0.00 C ATOM 934 CG MET A 85 -2.620 -1.062 -3.996 1.00 0.00 C ATOM 935 SD MET A 85 -2.368 0.561 -3.301 1.00 0.00 S ATOM 936 CE MET A 85 -2.921 1.572 -4.665 1.00 0.00 C ATOM 0 H MET A 85 -6.147 -1.658 -5.321 1.00 0.00 H new ATOM 0 HA MET A 85 -3.588 -2.818 -5.543 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.684 -0.577 -4.392 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.446 -1.563 -2.963 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.062 -1.802 -3.422 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.236 -1.093 -5.016 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.551 2.378 -4.289 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.057 1.996 -5.177 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.493 0.960 -5.363 1.00 0.00 H new ATOM 944 N GLN A 86 -5.449 -3.920 -3.049 1.00 0.00 N ATOM 945 CA GLN A 86 -5.614 -5.017 -2.111 1.00 0.00 C ATOM 946 C GLN A 86 -6.027 -6.291 -2.853 1.00 0.00 C ATOM 947 O GLN A 86 -5.660 -7.394 -2.450 1.00 0.00 O ATOM 948 CB GLN A 86 -6.632 -4.662 -1.025 1.00 0.00 C ATOM 949 CG GLN A 86 -7.619 -5.810 -0.802 1.00 0.00 C ATOM 950 CD GLN A 86 -8.622 -5.463 0.301 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.469 -4.499 1.034 1.00 0.00 O ATOM 952 NE2 GLN A 86 -9.652 -6.300 0.377 1.00 0.00 N ATOM 0 H GLN A 86 -6.174 -3.204 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 86 -4.657 -5.198 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.112 -4.439 -0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.175 -3.761 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.151 -6.022 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.075 -6.715 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.718 -7.087 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.376 -6.155 1.081 1.00 0.00 H new ATOM 959 N ILE A 87 -6.784 -6.097 -3.923 1.00 0.00 N ATOM 960 CA ILE A 87 -7.249 -7.215 -4.724 1.00 0.00 C ATOM 961 C ILE A 87 -6.045 -7.949 -5.317 1.00 0.00 C ATOM 962 O ILE A 87 -6.021 -9.178 -5.359 1.00 0.00 O ATOM 963 CB ILE A 87 -8.257 -6.741 -5.772 1.00 0.00 C ATOM 964 CG1 ILE A 87 -9.657 -6.608 -5.167 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.248 -7.657 -6.997 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.481 -5.559 -5.916 1.00 0.00 C ATOM 0 H ILE A 87 -7.087 -5.181 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.784 -7.932 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.956 -5.749 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.166 -7.571 -5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.578 -6.331 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.974 -7.297 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.254 -7.657 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.510 -8.671 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.471 -5.485 -5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.981 -4.592 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.579 -5.852 -6.961 1.00 0.00 H new ATOM 977 N ASN A 88 -5.075 -7.163 -5.762 1.00 0.00 N ATOM 978 CA ASN A 88 -3.870 -7.723 -6.350 1.00 0.00 C ATOM 979 C ASN A 88 -3.007 -8.340 -5.247 1.00 0.00 C ATOM 980 O ASN A 88 -2.350 -9.357 -5.463 1.00 0.00 O ATOM 981 CB ASN A 88 -3.044 -6.641 -7.048 1.00 0.00 C ATOM 982 CG ASN A 88 -3.664 -6.259 -8.393 1.00 0.00 C ATOM 983 OD1 ASN A 88 -3.942 -7.095 -9.238 1.00 0.00 O ATOM 984 ND2 ASN A 88 -3.866 -4.953 -8.545 1.00 0.00 N ATOM 0 H ASN A 88 -5.099 -6.144 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.170 -8.475 -7.080 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.980 -5.760 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.026 -6.998 -7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.276 -4.598 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.611 -4.307 -7.798 1.00 0.00 H new ATOM 990 N LEU A 89 -3.036 -7.697 -4.090 1.00 0.00 N ATOM 991 CA LEU A 89 -2.263 -8.169 -2.952 1.00 0.00 C ATOM 992 C LEU A 89 -2.804 -9.527 -2.503 1.00 0.00 C ATOM 993 O LEU A 89 -2.034 -10.438 -2.204 1.00 0.00 O ATOM 994 CB LEU A 89 -2.246 -7.116 -1.842 1.00 0.00 C ATOM 995 CG LEU A 89 -1.325 -5.916 -2.069 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.237 -5.047 -0.813 1.00 0.00 C ATOM 997 CD2 LEU A 89 0.055 -6.368 -2.551 1.00 0.00 C ATOM 0 H LEU A 89 -3.582 -6.853 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.221 -8.318 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.262 -6.747 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.953 -7.603 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.756 -5.299 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.576 -4.201 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.230 -4.681 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.842 -5.639 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.690 -5.496 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.507 -7.019 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.048 -6.912 -3.490 1.00 0.00 H new ATOM 1008 N THR A 90 -4.126 -9.621 -2.471 1.00 0.00 N ATOM 1009 CA THR A 90 -4.779 -10.854 -2.064 1.00 0.00 C ATOM 1010 C THR A 90 -4.321 -12.017 -2.946 1.00 0.00 C ATOM 1011 O THR A 90 -4.389 -13.175 -2.538 1.00 0.00 O ATOM 1012 CB THR A 90 -6.290 -10.622 -2.099 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.469 -9.386 -1.412 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.059 -11.635 -1.248 1.00 0.00 C ATOM 0 H THR A 90 -4.762 -8.864 -2.720 1.00 0.00 H new ATOM 0 HA THR A 90 -4.502 -11.131 -1.047 1.00 0.00 H new ATOM 0 HB THR A 90 -6.640 -10.674 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.475 -8.650 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.127 -11.425 -1.308 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.866 -12.642 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.733 -11.561 -0.211 1.00 0.00 H new ATOM 1022 N GLY A 91 -3.866 -11.667 -4.140 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.397 -12.668 -5.084 1.00 0.00 C ATOM 1024 C GLY A 91 -2.064 -13.269 -4.631 1.00 0.00 C ATOM 1025 O GLY A 91 -1.649 -14.313 -5.129 1.00 0.00 O ATOM 0 H GLY A 91 -3.812 -10.705 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.142 -13.458 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.280 -12.217 -6.069 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.432 -12.582 -3.691 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.156 -13.034 -3.164 1.00 0.00 C ATOM 1031 C PHE A 92 -0.226 -13.229 -1.649 1.00 0.00 C ATOM 1032 O PHE A 92 0.193 -14.265 -1.133 1.00 0.00 O ATOM 1033 CB PHE A 92 0.870 -11.943 -3.479 1.00 0.00 C ATOM 1034 CG PHE A 92 1.901 -12.344 -4.536 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.489 -12.754 -5.766 1.00 0.00 C ATOM 1036 CD2 PHE A 92 3.229 -12.291 -4.246 1.00 0.00 C ATOM 1037 CE1 PHE A 92 2.446 -13.127 -6.747 1.00 0.00 C ATOM 1038 CE2 PHE A 92 4.186 -12.663 -5.227 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.773 -13.073 -6.457 1.00 0.00 C ATOM 0 H PHE A 92 -1.780 -11.715 -3.281 1.00 0.00 H new ATOM 0 HA PHE A 92 0.114 -13.989 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.344 -11.051 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.392 -11.674 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.435 -12.796 -5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.556 -11.966 -3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.119 -13.454 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.240 -12.621 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.500 -13.356 -7.204 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.758 -12.218 -0.978 1.00 0.00 N ATOM 1049 CA LEU A 93 -0.888 -12.266 0.468 1.00 0.00 C ATOM 1050 C LEU A 93 -1.814 -13.422 0.855 1.00 0.00 C ATOM 1051 O LEU A 93 -2.109 -14.287 0.032 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.339 -10.909 1.011 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.646 -9.683 0.412 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.721 -8.489 1.367 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.796 -10.008 0.015 1.00 0.00 C ATOM 0 H LEU A 93 -1.104 -11.361 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 93 0.079 -12.463 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.412 -10.812 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.181 -10.901 2.089 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.176 -9.402 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.221 -7.631 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.765 -8.241 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.230 -8.743 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.266 -9.120 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.352 -10.328 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.798 -10.807 -0.726 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.248 -13.397 2.108 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.134 -14.431 2.613 1.00 0.00 C ATOM 1068 C ASN A 94 -4.586 -13.974 2.458 1.00 0.00 C ATOM 1069 O ASN A 94 -5.512 -14.754 2.668 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.878 -14.698 4.097 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.658 -15.600 4.290 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.764 -16.805 4.451 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.497 -14.952 4.265 1.00 0.00 N ATOM 0 H ASN A 94 -2.002 -12.677 2.787 1.00 0.00 H new ATOM 0 HA ASN A 94 -2.947 -15.342 2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.722 -13.754 4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.755 -15.167 4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.376 -15.465 4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.480 -13.942 4.126 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.738 -12.710 2.090 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.061 -12.139 1.904 1.00 0.00 C ATOM 1081 C GLY A 95 -6.392 -11.147 3.022 1.00 0.00 C ATOM 1082 O GLY A 95 -6.870 -10.045 2.756 1.00 0.00 O ATOM 0 H GLY A 95 -3.967 -12.066 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.111 -11.635 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.806 -12.935 1.887 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.125 -11.574 4.247 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.388 -10.738 5.405 1.00 0.00 C ATOM 1088 C LYS A 96 -5.301 -9.667 5.513 1.00 0.00 C ATOM 1089 O LYS A 96 -5.566 -8.552 5.959 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.533 -11.596 6.663 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.920 -11.423 7.288 1.00 0.00 C ATOM 1092 CD LYS A 96 -8.974 -12.214 6.511 1.00 0.00 C ATOM 1093 CE LYS A 96 -10.314 -12.211 7.247 1.00 0.00 C ATOM 1094 NZ LYS A 96 -11.364 -12.845 6.417 1.00 0.00 N ATOM 0 H LYS A 96 -5.729 -12.489 4.463 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.339 -10.217 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.371 -12.645 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.767 -11.319 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.900 -11.758 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.188 -10.367 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.099 -11.782 5.518 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.634 -13.240 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.217 -12.745 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.601 -11.187 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.267 -12.834 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.467 -12.318 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.096 -13.828 6.209 1.00 0.00 H new ATOM 1104 N ASN A 97 -4.101 -10.043 5.098 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.973 -9.129 5.142 1.00 0.00 C ATOM 1106 C ASN A 97 -3.158 -8.045 4.078 1.00 0.00 C ATOM 1107 O ASN A 97 -2.715 -6.911 4.259 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.660 -9.858 4.851 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.658 -9.663 5.991 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.626 -8.640 6.654 1.00 0.00 O ATOM 1111 ND2 ASN A 97 0.154 -10.698 6.180 1.00 0.00 N ATOM 0 H ASN A 97 -3.885 -10.969 4.729 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.930 -8.695 6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.854 -10.921 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.233 -9.487 3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.858 -10.666 6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.073 -11.525 5.588 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.813 -8.431 2.994 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.063 -7.506 1.902 1.00 0.00 C ATOM 1119 C ALA A 98 -5.000 -6.396 2.382 1.00 0.00 C ATOM 1120 O ALA A 98 -4.755 -5.218 2.127 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.631 -8.271 0.704 1.00 0.00 C ATOM 0 H ALA A 98 -4.178 -9.372 2.848 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.134 -7.036 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.819 -7.577 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.915 -9.027 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.565 -8.755 0.991 1.00 0.00 H new ATOM 1127 N ARG A 99 -6.054 -6.812 3.069 1.00 0.00 N ATOM 1128 CA ARG A 99 -7.029 -5.867 3.588 1.00 0.00 C ATOM 1129 C ARG A 99 -6.400 -4.999 4.679 1.00 0.00 C ATOM 1130 O ARG A 99 -6.630 -3.793 4.727 1.00 0.00 O ATOM 1131 CB ARG A 99 -8.247 -6.593 4.162 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.415 -6.573 3.175 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.736 -6.883 3.881 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.884 -6.026 5.077 1.00 0.00 N ATOM 1135 CZ ARG A 99 -11.720 -6.289 6.091 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -12.487 -7.387 6.059 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -11.788 -5.454 7.137 1.00 0.00 N ATOM 0 H ARG A 99 -6.254 -7.790 3.278 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.352 -5.236 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.983 -7.624 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.549 -6.121 5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.475 -5.595 2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.241 -7.304 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.570 -6.717 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.765 -7.933 4.170 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.314 -5.182 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.435 -8.023 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.123 -7.587 6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.204 -4.618 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.424 -5.654 7.909 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.616 -5.648 5.527 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.950 -4.950 6.614 1.00 0.00 C ATOM 1150 C GLU A 100 -3.814 -4.082 6.071 1.00 0.00 C ATOM 1151 O GLU A 100 -3.562 -2.991 6.584 1.00 0.00 O ATOM 1152 CB GLU A 100 -4.433 -5.936 7.664 1.00 0.00 C ATOM 1153 CG GLU A 100 -5.537 -6.313 8.653 1.00 0.00 C ATOM 1154 CD GLU A 100 -5.929 -5.114 9.519 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -4.999 -4.456 10.034 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -7.151 -4.882 9.646 1.00 0.00 O ATOM 0 H GLU A 100 -5.427 -6.649 5.484 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.677 -4.300 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.059 -6.834 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.594 -5.494 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.410 -6.674 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.197 -7.130 9.289 1.00 0.00 H new ATOM 1161 N PHE A 101 -3.158 -4.596 5.041 1.00 0.00 N ATOM 1162 CA PHE A 101 -2.055 -3.880 4.423 1.00 0.00 C ATOM 1163 C PHE A 101 -2.512 -2.520 3.893 1.00 0.00 C ATOM 1164 O PHE A 101 -1.841 -1.511 4.103 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.570 -4.735 3.250 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.650 -3.991 2.278 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -1.184 -3.252 1.268 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.699 -4.070 2.424 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.331 -2.563 0.366 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.552 -3.381 1.522 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.019 -2.642 0.512 1.00 0.00 C ATOM 0 H PHE A 101 -3.369 -5.500 4.619 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.266 -3.707 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.042 -5.605 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.436 -5.107 2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.256 -3.190 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.122 -4.657 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.754 -1.976 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.624 -3.444 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.668 -2.118 -0.174 1.00 0.00 H new ATOM 1180 N MET A 102 -3.652 -2.536 3.216 1.00 0.00 N ATOM 1181 CA MET A 102 -4.206 -1.317 2.655 1.00 0.00 C ATOM 1182 C MET A 102 -4.583 -0.326 3.759 1.00 0.00 C ATOM 1183 O MET A 102 -4.479 0.885 3.574 1.00 0.00 O ATOM 1184 CB MET A 102 -5.447 -1.654 1.826 1.00 0.00 C ATOM 1185 CG MET A 102 -5.056 -2.230 0.464 1.00 0.00 C ATOM 1186 SD MET A 102 -4.047 -1.059 -0.429 1.00 0.00 S ATOM 1187 CE MET A 102 -5.295 0.128 -0.901 1.00 0.00 C ATOM 0 H MET A 102 -4.206 -3.375 3.044 1.00 0.00 H new ATOM 0 HA MET A 102 -3.449 -0.855 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.065 -2.372 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.050 -0.757 1.686 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.511 -3.164 0.598 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.952 -2.464 -0.112 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.933 0.722 -1.740 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.204 -0.397 -1.193 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.510 0.785 -0.058 1.00 0.00 H new ATOM 1195 N GLY A 103 -5.014 -0.879 4.883 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.407 -0.061 6.017 1.00 0.00 C ATOM 1197 C GLY A 103 -4.181 0.461 6.770 1.00 0.00 C ATOM 1198 O GLY A 103 -4.294 0.927 7.902 1.00 0.00 O ATOM 0 H GLY A 103 -5.100 -1.884 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.011 0.779 5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.031 -0.646 6.693 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.036 0.364 6.108 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.789 0.819 6.700 1.00 0.00 C ATOM 1204 C GLU A 104 -1.068 1.774 5.748 1.00 0.00 C ATOM 1205 O GLU A 104 -0.403 2.711 6.187 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.895 -0.364 7.072 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.361 -1.016 8.375 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.225 -1.068 9.400 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.602 -1.997 9.281 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.210 -0.179 10.277 1.00 0.00 O ATOM 0 H GLU A 104 -2.946 -0.023 5.168 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.021 1.359 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.907 -1.100 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.136 -0.026 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.201 -0.456 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.719 -2.025 8.173 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.223 1.504 4.459 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.594 2.327 3.441 1.00 0.00 C ATOM 1217 C LEU A 105 -1.609 3.345 2.916 1.00 0.00 C ATOM 1218 O LEU A 105 -1.247 4.471 2.577 1.00 0.00 O ATOM 1219 CB LEU A 105 0.020 1.451 2.348 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.409 1.769 0.913 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.904 1.509 0.718 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.021 3.198 0.530 1.00 0.00 C ATOM 0 H LEU A 105 -1.775 0.726 4.097 1.00 0.00 H new ATOM 0 HA LEU A 105 0.235 2.893 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.105 1.536 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.231 0.412 2.559 1.00 0.00 H new ATOM 0 HG LEU A 105 0.125 1.099 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.183 1.743 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.121 0.461 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.475 2.138 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.337 3.399 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.509 3.901 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.060 3.314 0.606 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.861 2.913 2.865 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.931 3.772 2.388 1.00 0.00 C ATOM 1235 C TRP A 106 -4.012 4.987 3.314 1.00 0.00 C ATOM 1236 O TRP A 106 -4.164 6.117 2.852 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.250 3.005 2.292 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.295 3.670 1.395 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.476 4.193 1.751 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.204 3.864 -0.032 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.151 4.709 0.663 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.352 4.502 -0.456 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.185 3.514 -0.936 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.590 4.845 -1.792 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.438 3.862 -2.267 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.589 4.504 -2.709 1.00 0.00 C ATOM 0 H TRP A 106 -3.158 1.979 3.146 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.723 4.119 1.376 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.048 2.002 1.915 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.666 2.891 3.293 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.853 4.209 2.763 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.066 5.159 0.677 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.278 3.016 -0.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.497 5.345 -2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.687 3.615 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.710 4.739 -3.756 1.00 0.00 H new ATOM 1256 N PRO A 107 -3.902 4.706 4.641 1.00 0.00 N ATOM 1257 CA PRO A 107 -3.961 5.762 5.637 1.00 0.00 C ATOM 1258 C PRO A 107 -2.657 6.564 5.663 1.00 0.00 C ATOM 1259 O PRO A 107 -2.658 7.743 6.013 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.248 5.051 6.948 1.00 0.00 C ATOM 1261 CG PRO A 107 -3.879 3.594 6.722 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.720 3.381 5.225 1.00 0.00 C ATOM 0 HA PRO A 107 -4.734 6.500 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.663 5.480 7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.298 5.150 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.953 3.349 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.652 2.938 7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.738 2.974 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.459 2.676 4.845 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.579 5.891 5.291 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.272 6.526 5.268 1.00 0.00 C ATOM 1269 C LEU A 108 -0.316 7.741 4.339 1.00 0.00 C ATOM 1270 O LEU A 108 0.236 8.792 4.659 1.00 0.00 O ATOM 1271 CB LEU A 108 0.810 5.510 4.901 1.00 0.00 C ATOM 1272 CG LEU A 108 2.020 5.451 5.836 1.00 0.00 C ATOM 1273 CD1 LEU A 108 2.057 4.127 6.602 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.320 5.706 5.069 1.00 0.00 C ATOM 0 H LEU A 108 -1.583 4.913 5.003 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.009 6.893 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.354 4.520 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.164 5.734 3.895 1.00 0.00 H new ATOM 0 HG LEU A 108 1.920 6.247 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.927 4.111 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.150 4.026 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.121 3.300 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.164 5.658 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.440 4.948 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.283 6.693 4.608 1.00 0.00 H new ATOM 1285 N LEU A 109 -0.978 7.555 3.206 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.101 8.623 2.228 1.00 0.00 C ATOM 1287 C LEU A 109 -2.065 9.687 2.760 1.00 0.00 C ATOM 1288 O LEU A 109 -1.891 10.875 2.491 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.503 8.057 0.865 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.736 6.817 0.401 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.516 6.061 -0.675 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.674 7.186 -0.066 1.00 0.00 C ATOM 0 H LEU A 109 -1.434 6.681 2.944 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.139 9.111 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.565 7.813 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.376 8.840 0.117 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.627 6.145 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.949 5.184 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.479 5.746 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.677 6.713 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.197 6.286 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.610 7.888 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.221 7.647 0.757 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.057 9.222 3.504 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.048 10.119 4.075 1.00 0.00 C ATOM 1305 C LEU A 110 -3.337 11.210 4.881 1.00 0.00 C ATOM 1306 O LEU A 110 -3.707 12.380 4.807 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.080 9.332 4.884 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.287 8.808 4.102 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -5.987 8.753 2.603 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.747 7.453 4.644 1.00 0.00 C ATOM 0 H LEU A 110 -3.196 8.236 3.725 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.610 10.619 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.578 8.484 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.443 9.969 5.690 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.112 9.507 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.861 8.377 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.745 9.753 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.141 8.089 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.606 7.104 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.935 6.731 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.029 7.557 5.692 1.00 0.00 H new ATOM 1321 N SER A 111 -2.331 10.786 5.630 1.00 0.00 N ATOM 1322 CA SER A 111 -1.566 11.711 6.449 1.00 0.00 C ATOM 1323 C SER A 111 -0.570 12.480 5.577 1.00 0.00 C ATOM 1324 O SER A 111 -0.371 13.679 5.768 1.00 0.00 O ATOM 1325 CB SER A 111 -0.832 10.976 7.571 1.00 0.00 C ATOM 1326 OG SER A 111 -0.631 11.806 8.712 1.00 0.00 O ATOM 0 H SER A 111 -2.027 9.814 5.687 1.00 0.00 H new ATOM 0 HA SER A 111 -2.259 12.416 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.403 10.094 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.132 10.625 7.204 1.00 0.00 H new ATOM 0 HG SER A 111 -0.161 11.299 9.406 1.00 0.00 H new ATOM 1331 N ALA A 112 0.028 11.758 4.641 1.00 0.00 N ATOM 1332 CA ALA A 112 0.998 12.357 3.740 1.00 0.00 C ATOM 1333 C ALA A 112 0.320 13.466 2.931 1.00 0.00 C ATOM 1334 O ALA A 112 0.860 14.563 2.802 1.00 0.00 O ATOM 1335 CB ALA A 112 1.604 11.273 2.848 1.00 0.00 C ATOM 0 H ALA A 112 -0.140 10.764 4.487 1.00 0.00 H new ATOM 0 HA ALA A 112 1.814 12.811 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.332 11.723 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.098 10.526 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.815 10.797 2.266 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.853 13.140 2.410 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.610 14.094 1.617 1.00 0.00 C ATOM 1343 C GLN A 113 -1.944 15.331 2.453 1.00 0.00 C ATOM 1344 O GLN A 113 -2.286 16.380 1.908 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.880 13.453 1.053 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.871 13.123 2.172 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.284 12.937 1.616 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -5.404 11.916 0.774 1.00 0.00 O flip ATOM 1349 NE2 GLN A 113 -6.205 13.673 1.932 1.00 0.00 N flip ATOM 0 H GLN A 113 -1.298 12.229 2.521 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.995 14.405 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.346 14.130 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.623 12.543 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.556 12.215 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.870 13.924 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.044 14.440 2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.136 13.521 1.543 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.835 15.168 3.763 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.121 16.258 4.680 1.00 0.00 C ATOM 1358 C GLU A 114 -0.866 17.103 4.908 1.00 0.00 C ATOM 1359 O GLU A 114 -0.940 18.187 5.486 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.675 15.730 6.005 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.058 15.107 5.811 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.125 15.891 6.579 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.178 15.715 7.816 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -5.863 16.648 5.913 1.00 0.00 O ATOM 0 H GLU A 114 -1.552 14.297 4.212 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.886 16.892 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.992 14.988 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.737 16.544 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.307 15.090 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.046 14.072 6.153 1.00 0.00 H new ATOM 1369 N ASN A 115 0.257 16.576 4.442 1.00 0.00 N ATOM 1370 CA ASN A 115 1.526 17.268 4.589 1.00 0.00 C ATOM 1371 C ASN A 115 1.721 18.221 3.407 1.00 0.00 C ATOM 1372 O ASN A 115 0.763 18.558 2.712 1.00 0.00 O ATOM 1373 CB ASN A 115 2.694 16.281 4.597 1.00 0.00 C ATOM 1374 CG ASN A 115 3.521 16.421 5.876 1.00 0.00 C ATOM 1375 OD1 ASN A 115 2.944 15.900 6.954 1.00 0.00 O flip ATOM 1376 ND2 ASN A 115 4.613 16.967 5.883 1.00 0.00 N flip ATOM 0 H ASN A 115 0.314 15.678 3.962 1.00 0.00 H new ATOM 0 HA ASN A 115 1.507 17.811 5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.315 15.262 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.329 16.456 3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 115 4.999 17.346 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.139 17.044 6.753 1.00 0.00 H new ATOM 1382 N ILE A 116 2.967 18.628 3.216 1.00 0.00 N ATOM 1383 CA ILE A 116 3.300 19.535 2.131 1.00 0.00 C ATOM 1384 C ILE A 116 4.156 18.798 1.100 1.00 0.00 C ATOM 1385 O ILE A 116 3.926 18.919 -0.103 1.00 0.00 O ATOM 1386 CB ILE A 116 3.954 20.807 2.677 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.659 22.006 1.775 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.456 20.603 2.889 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.661 22.083 0.621 1.00 0.00 C ATOM 0 H ILE A 116 3.758 18.346 3.794 1.00 0.00 H new ATOM 0 HA ILE A 116 2.396 19.864 1.619 1.00 0.00 H new ATOM 0 HB ILE A 116 3.518 21.024 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.647 21.927 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.701 22.925 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.897 21.521 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.616 19.794 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 116 5.926 20.348 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.429 22.944 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.670 22.186 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.599 21.173 0.024 1.00 0.00 H new ATOM 1400 N ALA A 117 5.123 18.049 1.607 1.00 0.00 N ATOM 1401 CA ALA A 117 6.015 17.292 0.744 1.00 0.00 C ATOM 1402 C ALA A 117 5.378 15.939 0.423 1.00 0.00 C ATOM 1403 O ALA A 117 5.976 15.115 -0.267 1.00 0.00 O ATOM 1404 CB ALA A 117 7.380 17.149 1.420 1.00 0.00 C ATOM 0 H ALA A 117 5.309 17.950 2.605 1.00 0.00 H new ATOM 0 HA ALA A 117 6.173 17.815 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.049 16.581 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.802 18.138 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.263 16.626 2.369 1.00 0.00 H new ATOM 1410 N GLY A 118 4.173 15.751 0.939 1.00 0.00 N ATOM 1411 CA GLY A 118 3.448 14.511 0.716 1.00 0.00 C ATOM 1412 C GLY A 118 4.091 13.354 1.483 1.00 0.00 C ATOM 1413 O GLY A 118 4.137 12.227 0.992 1.00 0.00 O ATOM 0 H GLY A 118 3.680 16.436 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.412 14.630 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.432 14.281 -0.349 1.00 0.00 H new ATOM 1417 N ILE A 119 4.573 13.672 2.676 1.00 0.00 N ATOM 1418 CA ILE A 119 5.211 12.673 3.516 1.00 0.00 C ATOM 1419 C ILE A 119 4.388 12.486 4.793 1.00 0.00 C ATOM 1420 O ILE A 119 3.996 13.461 5.432 1.00 0.00 O ATOM 1421 CB ILE A 119 6.672 13.047 3.776 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.588 12.456 2.703 1.00 0.00 C ATOM 1423 CG2 ILE A 119 7.100 12.636 5.186 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.218 12.982 1.315 1.00 0.00 C ATOM 0 H ILE A 119 4.534 14.608 3.080 1.00 0.00 H new ATOM 0 HA ILE A 119 5.237 11.709 3.009 1.00 0.00 H new ATOM 0 HB ILE A 119 6.764 14.131 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.625 12.707 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.514 11.369 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.142 12.913 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.473 13.144 5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.990 11.558 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.885 12.546 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.188 12.708 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.317 14.067 1.299 1.00 0.00 H new ATOM 1435 N PRO A 120 4.144 11.192 5.134 1.00 0.00 N ATOM 1436 CA PRO A 120 3.375 10.863 6.321 1.00 0.00 C ATOM 1437 C PRO A 120 4.205 11.077 7.589 1.00 0.00 C ATOM 1438 O PRO A 120 5.426 10.925 7.569 1.00 0.00 O ATOM 1439 CB PRO A 120 2.949 9.417 6.127 1.00 0.00 C ATOM 1440 CG PRO A 120 3.879 8.848 5.068 1.00 0.00 C ATOM 1441 CD PRO A 120 4.592 10.012 4.400 1.00 0.00 C ATOM 0 HA PRO A 120 2.504 11.506 6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.029 8.858 7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.909 9.356 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.600 8.167 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.315 8.274 4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.675 9.898 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.333 10.081 3.343 1.00 0.00 H new ATOM 1446 N SER A 121 3.511 11.428 8.661 1.00 0.00 N ATOM 1447 CA SER A 121 4.168 11.665 9.935 1.00 0.00 C ATOM 1448 C SER A 121 4.886 10.395 10.398 1.00 0.00 C ATOM 1449 O SER A 121 5.718 10.442 11.301 1.00 0.00 O ATOM 1450 CB SER A 121 3.166 12.123 10.996 1.00 0.00 C ATOM 1451 OG SER A 121 2.583 11.024 11.690 1.00 0.00 O ATOM 0 H SER A 121 2.499 11.554 8.674 1.00 0.00 H new ATOM 0 HA SER A 121 4.900 12.461 9.798 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.667 12.777 11.709 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.380 12.711 10.522 1.00 0.00 H new ATOM 0 HG SER A 121 1.951 11.358 12.360 1.00 0.00 H new ATOM 1456 N ALA A 122 4.539 9.290 9.755 1.00 0.00 N ATOM 1457 CA ALA A 122 5.139 8.009 10.088 1.00 0.00 C ATOM 1458 C ALA A 122 6.658 8.109 9.937 1.00 0.00 C ATOM 1459 O ALA A 122 7.400 7.398 10.612 1.00 0.00 O ATOM 1460 CB ALA A 122 4.536 6.916 9.204 1.00 0.00 C ATOM 0 H ALA A 122 3.849 9.255 9.004 1.00 0.00 H new ATOM 0 HA ALA A 122 4.926 7.743 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.987 5.956 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.460 6.866 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.731 7.146 8.157 1.00 0.00 H new ATOM 1466 N PHE A 123 7.076 8.997 9.048 1.00 0.00 N ATOM 1467 CA PHE A 123 8.493 9.199 8.799 1.00 0.00 C ATOM 1468 C PHE A 123 8.975 10.515 9.414 1.00 0.00 C ATOM 1469 O PHE A 123 10.052 10.570 10.006 1.00 0.00 O ATOM 1470 CB PHE A 123 8.677 9.261 7.282 1.00 0.00 C ATOM 1471 CG PHE A 123 8.247 7.989 6.550 1.00 0.00 C ATOM 1472 CD1 PHE A 123 9.062 6.901 6.539 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.047 7.946 5.909 1.00 0.00 C ATOM 1474 CE1 PHE A 123 8.663 5.720 5.860 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.647 6.764 5.230 1.00 0.00 C ATOM 1476 CZ PHE A 123 7.463 5.677 5.220 1.00 0.00 C ATOM 0 H PHE A 123 6.457 9.586 8.490 1.00 0.00 H new ATOM 0 HA PHE A 123 9.068 8.388 9.245 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.106 10.103 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.726 9.458 7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 123 10.014 6.935 7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 123 6.399 8.810 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.311 4.856 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 123 5.695 6.729 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 123 7.159 4.779 4.704 1.00 0.00 H new ATOM 1485 N LEU A 124 8.155 11.542 9.253 1.00 0.00 N ATOM 1486 CA LEU A 124 8.484 12.853 9.785 1.00 0.00 C ATOM 1487 C LEU A 124 9.043 12.699 11.201 1.00 0.00 C ATOM 1488 O LEU A 124 10.212 12.991 11.445 1.00 0.00 O ATOM 1489 CB LEU A 124 7.273 13.786 9.700 1.00 0.00 C ATOM 1490 CG LEU A 124 6.672 13.979 8.306 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.374 14.785 8.377 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.688 14.609 7.353 1.00 0.00 C ATOM 0 H LEU A 124 7.263 11.493 8.761 1.00 0.00 H new ATOM 0 HA LEU A 124 9.262 13.323 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.495 13.400 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.564 14.763 10.087 1.00 0.00 H new ATOM 0 HG LEU A 124 6.420 12.998 7.903 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.967 14.908 7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.651 14.257 8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.577 15.765 8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.235 14.735 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.994 15.581 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.560 13.960 7.270 1.00 0.00 H new ATOM 1503 N GLU A 125 8.181 12.241 12.096 1.00 0.00 N ATOM 1504 CA GLU A 125 8.574 12.044 13.481 1.00 0.00 C ATOM 1505 C GLU A 125 9.630 10.942 13.582 1.00 0.00 C ATOM 1506 O GLU A 125 10.800 11.220 13.844 1.00 0.00 O ATOM 1507 CB GLU A 125 7.360 11.722 14.355 1.00 0.00 C ATOM 1508 CG GLU A 125 7.693 11.891 15.839 1.00 0.00 C ATOM 1509 CD GLU A 125 7.395 13.316 16.309 1.00 0.00 C ATOM 1510 OE1 GLU A 125 8.290 14.170 16.131 1.00 0.00 O ATOM 1511 OE2 GLU A 125 6.278 13.518 16.834 1.00 0.00 O ATOM 0 H GLU A 125 7.212 12.000 11.889 1.00 0.00 H new ATOM 0 HA GLU A 125 9.010 12.972 13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.531 12.377 14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.032 10.700 14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.113 11.181 16.429 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.745 11.661 16.008 1.00 0.00 H new