USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -96:sc= 0.522 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.358 USER MOD Set 2.1: A 57 ASN : amide:sc= -2.82! C(o=-4.3!,f=-16!) USER MOD Set 2.2: A 60 MET CE :methyl -118:sc= -1.47 (180deg=-1.32) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.52! C(o=-2.5!,f=-16!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -6.69! C(o=-6.7!,f=-4.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 149:sc= -0.55 (180deg=-3.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -70:sc= 0.308 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -163:sc= 0.0421 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.0184 (180deg=-0.259) USER MOD Single : A 75 THR OG1 : rot -18:sc=-0.00283 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.63) USER MOD Single : A 94 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.021) USER MOD Single : A 97 GLN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.260 -10.620 -0.815 1.00 0.00 N ATOM 106 CA LEU A 11 25.668 -11.560 -1.853 1.00 0.00 C ATOM 107 C LEU A 11 24.839 -12.839 -1.786 1.00 0.00 C ATOM 108 O LEU A 11 24.203 -13.230 -2.764 1.00 0.00 O ATOM 109 CB LEU A 11 27.154 -11.894 -1.710 1.00 0.00 C ATOM 110 CG LEU A 11 27.660 -13.074 -2.541 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.408 -12.832 -4.021 1.00 0.00 C ATOM 112 CD2 LEU A 11 29.140 -13.314 -2.282 1.00 0.00 C ATOM 0 HA LEU A 11 25.499 -11.090 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.732 -11.010 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.360 -12.100 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 11 27.110 -13.966 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 11 27.775 -13.682 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 11 26.338 -12.712 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.930 -11.928 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 29.482 -14.157 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.706 -12.423 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.293 -13.534 -1.226 1.00 0.00 H new ATOM 124 N TRP A 12 24.849 -13.484 -0.625 1.00 0.00 N ATOM 125 CA TRP A 12 24.096 -14.717 -0.429 1.00 0.00 C ATOM 126 C TRP A 12 22.732 -14.635 -1.105 1.00 0.00 C ATOM 127 O TRP A 12 22.226 -15.629 -1.625 1.00 0.00 O ATOM 128 CB TRP A 12 23.923 -15.002 1.063 1.00 0.00 C ATOM 129 CG TRP A 12 22.861 -14.164 1.709 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.040 -12.986 2.376 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.457 -14.442 1.750 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.831 -12.515 2.830 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.845 -13.389 2.458 1.00 0.00 C ATOM 134 CE3 TRP A 12 20.658 -15.476 1.256 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.471 -13.344 2.683 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.295 -15.430 1.481 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.713 -14.370 2.189 1.00 0.00 C ATOM 0 H TRP A 12 25.370 -13.173 0.195 1.00 0.00 H new ATOM 0 HA TRP A 12 24.658 -15.532 -0.884 1.00 0.00 H new ATOM 0 HB2 TRP A 12 23.677 -16.055 1.198 1.00 0.00 H new ATOM 0 HB3 TRP A 12 24.872 -14.829 1.571 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.991 -12.497 2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.691 -11.654 3.358 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.097 -16.297 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.020 -12.528 3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 18.668 -16.225 1.105 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.645 -14.363 2.348 1.00 0.00 H new ATOM 148 N GLU A 13 22.141 -13.444 -1.095 1.00 0.00 N ATOM 149 CA GLU A 13 20.835 -13.234 -1.707 1.00 0.00 C ATOM 150 C GLU A 13 20.948 -13.187 -3.228 1.00 0.00 C ATOM 151 O GLU A 13 20.090 -13.705 -3.942 1.00 0.00 O ATOM 152 CB GLU A 13 20.207 -11.938 -1.191 1.00 0.00 C ATOM 153 CG GLU A 13 19.315 -12.135 0.023 1.00 0.00 C ATOM 154 CD GLU A 13 17.947 -11.503 -0.149 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.886 -10.290 -0.438 1.00 0.00 O ATOM 156 OE2 GLU A 13 16.938 -12.223 0.005 1.00 0.00 O ATOM 0 H GLU A 13 22.546 -12.610 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 13 20.195 -14.073 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.001 -11.235 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.622 -11.484 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.197 -13.202 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.801 -11.707 0.900 1.00 0.00 H new ATOM 163 N PHE A 14 22.014 -12.560 -3.717 1.00 0.00 N ATOM 164 CA PHE A 14 22.239 -12.443 -5.153 1.00 0.00 C ATOM 165 C PHE A 14 22.454 -13.816 -5.783 1.00 0.00 C ATOM 166 O PHE A 14 21.788 -14.177 -6.753 1.00 0.00 O ATOM 167 CB PHE A 14 23.449 -11.547 -5.429 1.00 0.00 C ATOM 168 CG PHE A 14 24.143 -11.860 -6.723 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.082 -12.876 -6.794 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.857 -11.136 -7.870 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.723 -13.167 -7.984 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.494 -11.422 -9.063 1.00 0.00 C ATOM 173 CZ PHE A 14 25.429 -12.438 -9.119 1.00 0.00 C ATOM 0 H PHE A 14 22.734 -12.126 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 14 21.353 -11.993 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.125 -10.506 -5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.161 -11.649 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.316 -13.448 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.128 -10.340 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.452 -13.963 -8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.261 -10.852 -9.950 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.929 -12.662 -10.050 1.00 0.00 H new ATOM 183 N VAL A 15 23.391 -14.576 -5.226 1.00 0.00 N ATOM 184 CA VAL A 15 23.695 -15.910 -5.732 1.00 0.00 C ATOM 185 C VAL A 15 22.495 -16.839 -5.588 1.00 0.00 C ATOM 186 O VAL A 15 22.250 -17.690 -6.443 1.00 0.00 O ATOM 187 CB VAL A 15 24.900 -16.528 -4.998 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.663 -16.536 -3.495 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.171 -17.934 -5.511 1.00 0.00 C ATOM 0 H VAL A 15 23.953 -14.291 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 15 23.940 -15.799 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 15 25.779 -15.916 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.525 -16.976 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.521 -15.514 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.773 -17.124 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.025 -18.356 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.294 -18.559 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.388 -17.896 -6.579 1.00 0.00 H new ATOM 199 N ARG A 16 21.749 -16.669 -4.502 1.00 0.00 N ATOM 200 CA ARG A 16 20.574 -17.493 -4.245 1.00 0.00 C ATOM 201 C ARG A 16 19.460 -17.177 -5.239 1.00 0.00 C ATOM 202 O ARG A 16 18.864 -18.079 -5.826 1.00 0.00 O ATOM 203 CB ARG A 16 20.074 -17.275 -2.816 1.00 0.00 C ATOM 204 CG ARG A 16 18.888 -18.150 -2.445 1.00 0.00 C ATOM 205 CD ARG A 16 17.737 -17.325 -1.892 1.00 0.00 C ATOM 206 NE ARG A 16 17.264 -16.332 -2.852 1.00 0.00 N ATOM 207 CZ ARG A 16 16.471 -15.316 -2.529 1.00 0.00 C ATOM 208 NH1 ARG A 16 16.065 -15.160 -1.277 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.083 -14.454 -3.460 1.00 0.00 N ATOM 0 H ARG A 16 21.937 -15.968 -3.785 1.00 0.00 H new ATOM 0 HA ARG A 16 20.861 -18.538 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.890 -17.471 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.795 -16.228 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.553 -18.701 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.197 -18.888 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.915 -17.987 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.057 -16.823 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 16 17.559 -16.423 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.361 -15.821 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.456 -14.379 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.393 -14.571 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.474 -13.674 -3.211 1.00 0.00 H new ATOM 223 N ASP A 17 19.186 -15.890 -5.422 1.00 0.00 N ATOM 224 CA ASP A 17 18.145 -15.454 -6.345 1.00 0.00 C ATOM 225 C ASP A 17 18.354 -16.063 -7.728 1.00 0.00 C ATOM 226 O ASP A 17 17.394 -16.358 -8.440 1.00 0.00 O ATOM 227 CB ASP A 17 18.127 -13.927 -6.444 1.00 0.00 C ATOM 228 CG ASP A 17 16.721 -13.370 -6.548 1.00 0.00 C ATOM 229 OD1 ASP A 17 15.904 -13.957 -7.287 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.439 -12.346 -5.890 1.00 0.00 O ATOM 0 H ASP A 17 19.670 -15.131 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 17 17.185 -15.797 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.619 -13.503 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.703 -13.615 -7.315 1.00 0.00 H new ATOM 235 N LEU A 18 19.616 -16.248 -8.102 1.00 0.00 N ATOM 236 CA LEU A 18 19.952 -16.821 -9.401 1.00 0.00 C ATOM 237 C LEU A 18 19.440 -18.253 -9.513 1.00 0.00 C ATOM 238 O LEU A 18 18.838 -18.631 -10.519 1.00 0.00 O ATOM 239 CB LEU A 18 21.466 -16.791 -9.616 1.00 0.00 C ATOM 240 CG LEU A 18 22.051 -15.458 -10.085 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.536 -15.384 -9.764 1.00 0.00 C ATOM 242 CD2 LEU A 18 21.816 -15.267 -11.576 1.00 0.00 C ATOM 0 H LEU A 18 20.422 -16.010 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 18 19.469 -16.221 -10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.951 -17.069 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.724 -17.556 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 18 21.544 -14.654 -9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 23.935 -14.429 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.680 -15.474 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.058 -16.196 -10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.239 -14.313 -11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.295 -16.077 -12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.745 -15.274 -11.779 1.00 0.00 H new ATOM 254 N LEU A 19 19.680 -19.045 -8.474 1.00 0.00 N ATOM 255 CA LEU A 19 19.240 -20.436 -8.454 1.00 0.00 C ATOM 256 C LEU A 19 17.724 -20.530 -8.592 1.00 0.00 C ATOM 257 O LEU A 19 17.199 -21.496 -9.148 1.00 0.00 O ATOM 258 CB LEU A 19 19.689 -21.115 -7.159 1.00 0.00 C ATOM 259 CG LEU A 19 21.182 -21.426 -7.046 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.618 -21.431 -5.589 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.500 -22.760 -7.704 1.00 0.00 C ATOM 0 H LEU A 19 20.177 -18.748 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 19 19.696 -20.947 -9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.407 -20.477 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.135 -22.047 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 19 21.736 -20.645 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.683 -21.654 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.427 -20.452 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.057 -22.190 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.567 -22.965 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.936 -23.552 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.226 -22.720 -8.758 1.00 0.00 H new ATOM 273 N LEU A 20 17.026 -19.520 -8.085 1.00 0.00 N ATOM 274 CA LEU A 20 15.569 -19.488 -8.153 1.00 0.00 C ATOM 275 C LEU A 20 15.099 -18.777 -9.418 1.00 0.00 C ATOM 276 O LEU A 20 13.939 -18.894 -9.813 1.00 0.00 O ATOM 277 CB LEU A 20 14.996 -18.788 -6.919 1.00 0.00 C ATOM 278 CG LEU A 20 15.657 -19.134 -5.584 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.914 -18.472 -4.434 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.710 -20.642 -5.390 1.00 0.00 C ATOM 0 H LEU A 20 17.445 -18.713 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 20 15.209 -20.516 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.070 -17.711 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.935 -19.028 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 20 16.678 -18.754 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.398 -18.729 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.929 -17.390 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.882 -18.822 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.183 -20.870 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.698 -21.046 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.287 -21.093 -6.198 1.00 0.00 H new ATOM 292 N SER A 21 16.009 -18.043 -10.051 1.00 0.00 N ATOM 293 CA SER A 21 15.687 -17.312 -11.271 1.00 0.00 C ATOM 294 C SER A 21 16.467 -17.869 -12.459 1.00 0.00 C ATOM 295 O SER A 21 17.499 -17.333 -12.862 1.00 0.00 O ATOM 296 CB SER A 21 15.995 -15.824 -11.096 1.00 0.00 C ATOM 297 OG SER A 21 14.951 -15.165 -10.401 1.00 0.00 O ATOM 0 H SER A 21 16.975 -17.939 -9.739 1.00 0.00 H new ATOM 0 HA SER A 21 14.622 -17.434 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.931 -15.705 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.135 -15.361 -12.073 1.00 0.00 H new ATOM 0 HG SER A 21 15.173 -14.216 -10.301 1.00 0.00 H new ATOM 303 N PRO A 22 15.962 -18.970 -13.033 1.00 0.00 N ATOM 304 CA PRO A 22 16.594 -19.624 -14.183 1.00 0.00 C ATOM 305 C PRO A 22 16.484 -18.791 -15.456 1.00 0.00 C ATOM 306 O PRO A 22 16.999 -19.175 -16.506 1.00 0.00 O ATOM 307 CB PRO A 22 15.806 -20.928 -14.328 1.00 0.00 C ATOM 308 CG PRO A 22 14.476 -20.636 -13.722 1.00 0.00 C ATOM 309 CD PRO A 22 14.735 -19.663 -12.605 1.00 0.00 C ATOM 0 HA PRO A 22 17.663 -19.771 -14.031 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.709 -21.218 -15.374 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.303 -21.750 -13.814 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.796 -20.211 -14.460 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.010 -21.547 -13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.905 -18.968 -12.477 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.873 -20.173 -11.652 1.00 0.00 H new ATOM 317 N GLU A 23 15.810 -17.650 -15.355 1.00 0.00 N ATOM 318 CA GLU A 23 15.633 -16.764 -16.499 1.00 0.00 C ATOM 319 C GLU A 23 16.791 -15.775 -16.606 1.00 0.00 C ATOM 320 O GLU A 23 17.096 -15.277 -17.689 1.00 0.00 O ATOM 321 CB GLU A 23 14.309 -16.006 -16.385 1.00 0.00 C ATOM 322 CG GLU A 23 13.353 -16.276 -17.534 1.00 0.00 C ATOM 323 CD GLU A 23 12.216 -15.274 -17.595 1.00 0.00 C ATOM 324 OE1 GLU A 23 12.491 -14.058 -17.519 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.051 -15.706 -17.720 1.00 0.00 O ATOM 0 H GLU A 23 15.378 -17.318 -14.493 1.00 0.00 H new ATOM 0 HA GLU A 23 15.616 -17.376 -17.401 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.824 -16.278 -15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.515 -14.937 -16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.904 -16.252 -18.474 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.942 -17.280 -17.431 1.00 0.00 H new ATOM 332 N GLU A 24 17.430 -15.496 -15.474 1.00 0.00 N ATOM 333 CA GLU A 24 18.552 -14.566 -15.440 1.00 0.00 C ATOM 334 C GLU A 24 19.880 -15.317 -15.389 1.00 0.00 C ATOM 335 O GLU A 24 20.841 -14.944 -16.060 1.00 0.00 O ATOM 336 CB GLU A 24 18.435 -13.634 -14.232 1.00 0.00 C ATOM 337 CG GLU A 24 17.843 -12.275 -14.567 1.00 0.00 C ATOM 338 CD GLU A 24 18.846 -11.148 -14.412 1.00 0.00 C ATOM 339 OE1 GLU A 24 19.751 -11.274 -13.560 1.00 0.00 O ATOM 340 OE2 GLU A 24 18.726 -10.141 -15.140 1.00 0.00 O ATOM 0 H GLU A 24 17.190 -15.901 -14.569 1.00 0.00 H new ATOM 0 HA GLU A 24 18.525 -13.971 -16.353 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.817 -14.113 -13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.424 -13.493 -13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.471 -12.287 -15.592 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.987 -12.086 -13.919 1.00 0.00 H new ATOM 347 N ASN A 25 19.923 -16.377 -14.588 1.00 0.00 N ATOM 348 CA ASN A 25 21.132 -17.180 -14.449 1.00 0.00 C ATOM 349 C ASN A 25 21.372 -18.024 -15.696 1.00 0.00 C ATOM 350 O ASN A 25 20.459 -18.683 -16.197 1.00 0.00 O ATOM 351 CB ASN A 25 21.029 -18.085 -13.219 1.00 0.00 C ATOM 352 CG ASN A 25 22.032 -19.222 -13.252 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.012 -19.178 -13.996 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.792 -20.247 -12.443 1.00 0.00 N ATOM 0 H ASN A 25 19.135 -16.699 -14.026 1.00 0.00 H new ATOM 0 HA ASN A 25 21.976 -16.502 -14.324 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.188 -17.490 -12.319 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.021 -18.495 -13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.433 -21.040 -12.421 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.967 -20.241 -11.843 1.00 0.00 H new ATOM 361 N CYS A 26 22.604 -18.000 -16.193 1.00 0.00 N ATOM 362 CA CYS A 26 22.964 -18.764 -17.382 1.00 0.00 C ATOM 363 C CYS A 26 24.008 -19.825 -17.052 1.00 0.00 C ATOM 364 O CYS A 26 25.209 -19.582 -17.157 1.00 0.00 O ATOM 365 CB CYS A 26 23.494 -17.830 -18.471 1.00 0.00 C ATOM 366 SG CYS A 26 23.186 -18.410 -20.156 1.00 0.00 S ATOM 0 H CYS A 26 23.370 -17.460 -15.791 1.00 0.00 H new ATOM 0 HA CYS A 26 22.068 -19.265 -17.747 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.037 -16.848 -18.347 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.568 -17.701 -18.333 1.00 0.00 H new ATOM 0 HG CYS A 26 23.669 -17.552 -21.005 1.00 0.00 H new ATOM 372 N GLY A 27 23.541 -21.003 -16.651 1.00 0.00 N ATOM 373 CA GLY A 27 24.447 -22.084 -16.309 1.00 0.00 C ATOM 374 C GLY A 27 25.593 -21.623 -15.430 1.00 0.00 C ATOM 375 O GLY A 27 26.740 -22.021 -15.635 1.00 0.00 O ATOM 0 H GLY A 27 22.551 -21.228 -16.557 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.893 -22.870 -15.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 24.848 -22.521 -17.223 1.00 0.00 H new ATOM 379 N ILE A 28 25.282 -20.782 -14.449 1.00 0.00 N ATOM 380 CA ILE A 28 26.295 -20.267 -13.536 1.00 0.00 C ATOM 381 C ILE A 28 26.363 -21.103 -12.262 1.00 0.00 C ATOM 382 O ILE A 28 27.420 -21.221 -11.640 1.00 0.00 O ATOM 383 CB ILE A 28 26.019 -18.799 -13.159 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.711 -17.977 -14.412 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.207 -18.212 -12.413 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.373 -16.532 -14.119 1.00 0.00 C ATOM 0 H ILE A 28 24.337 -20.443 -14.266 1.00 0.00 H new ATOM 0 HA ILE A 28 27.250 -20.326 -14.058 1.00 0.00 H new ATOM 0 HB ILE A 28 25.150 -18.765 -12.502 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.571 -18.012 -15.080 1.00 0.00 H new ATOM 0 HG13 ILE A 28 24.877 -18.437 -14.942 1.00 0.00 H new ATOM 0 HG21 ILE A 28 26.997 -17.174 -12.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.384 -18.785 -11.503 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.092 -18.255 -13.047 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.166 -16.010 -15.053 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.494 -16.487 -13.476 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.215 -16.056 -13.616 1.00 0.00 H new ATOM 398 N LEU A 29 25.231 -21.683 -11.881 1.00 0.00 N ATOM 399 CA LEU A 29 25.162 -22.511 -10.682 1.00 0.00 C ATOM 400 C LEU A 29 24.248 -23.713 -10.902 1.00 0.00 C ATOM 401 O LEU A 29 23.516 -23.775 -11.889 1.00 0.00 O ATOM 402 CB LEU A 29 24.660 -21.685 -9.496 1.00 0.00 C ATOM 403 CG LEU A 29 25.278 -20.296 -9.336 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.270 -19.329 -8.734 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.532 -20.365 -8.478 1.00 0.00 C ATOM 0 H LEU A 29 24.348 -21.596 -12.385 1.00 0.00 H new ATOM 0 HA LEU A 29 26.166 -22.876 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.580 -21.572 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.843 -22.250 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 29 25.558 -19.929 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.728 -18.346 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.401 -19.256 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.958 -19.692 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.958 -19.367 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.277 -20.754 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.261 -21.024 -8.951 1.00 0.00 H new ATOM 417 N GLU A 30 24.296 -24.663 -9.974 1.00 0.00 N ATOM 418 CA GLU A 30 23.471 -25.862 -10.067 1.00 0.00 C ATOM 419 C GLU A 30 22.918 -26.250 -8.699 1.00 0.00 C ATOM 420 O GLU A 30 23.563 -26.033 -7.673 1.00 0.00 O ATOM 421 CB GLU A 30 24.282 -27.022 -10.648 1.00 0.00 C ATOM 422 CG GLU A 30 25.358 -27.543 -9.710 1.00 0.00 C ATOM 423 CD GLU A 30 25.622 -29.025 -9.891 1.00 0.00 C ATOM 424 OE1 GLU A 30 26.311 -29.391 -10.866 1.00 0.00 O ATOM 425 OE2 GLU A 30 25.139 -29.819 -9.057 1.00 0.00 O ATOM 0 H GLU A 30 24.896 -24.626 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 30 22.634 -25.645 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 30 23.604 -27.838 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.749 -26.698 -11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 30 26.282 -26.990 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.058 -27.354 -8.679 1.00 0.00 H new ATOM 432 N TRP A 31 21.720 -26.823 -8.692 1.00 0.00 N ATOM 433 CA TRP A 31 21.079 -27.240 -7.450 1.00 0.00 C ATOM 434 C TRP A 31 21.514 -28.648 -7.059 1.00 0.00 C ATOM 435 O TRP A 31 21.034 -29.633 -7.619 1.00 0.00 O ATOM 436 CB TRP A 31 19.557 -27.185 -7.594 1.00 0.00 C ATOM 437 CG TRP A 31 18.966 -25.880 -7.154 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.185 -25.042 -7.898 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.110 -25.263 -5.870 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.835 -23.941 -7.153 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.389 -24.054 -5.906 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.776 -25.616 -4.693 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.318 -23.197 -4.810 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.705 -24.765 -3.607 1.00 0.00 C ATOM 445 CH2 TRP A 31 18.979 -23.568 -3.671 1.00 0.00 C ATOM 0 H TRP A 31 21.173 -27.010 -9.532 1.00 0.00 H new ATOM 0 HA TRP A 31 21.388 -26.553 -6.662 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.291 -27.363 -8.636 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.114 -27.992 -7.010 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.886 -25.218 -8.921 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.257 -23.166 -7.477 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.336 -26.538 -4.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.761 -22.273 -4.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.218 -25.027 -2.693 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.941 -22.925 -2.804 1.00 0.00 H new ATOM 456 N GLU A 32 22.426 -28.735 -6.095 1.00 0.00 N ATOM 457 CA GLU A 32 22.925 -30.023 -5.631 1.00 0.00 C ATOM 458 C GLU A 32 21.950 -30.662 -4.646 1.00 0.00 C ATOM 459 O GLU A 32 21.860 -31.886 -4.550 1.00 0.00 O ATOM 460 CB GLU A 32 24.296 -29.857 -4.973 1.00 0.00 C ATOM 461 CG GLU A 32 25.391 -29.445 -5.942 1.00 0.00 C ATOM 462 CD GLU A 32 26.267 -30.610 -6.362 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.819 -31.414 -7.207 1.00 0.00 O ATOM 464 OE2 GLU A 32 27.399 -30.718 -5.847 1.00 0.00 O ATOM 0 H GLU A 32 22.833 -27.929 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 32 23.022 -30.679 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.222 -29.110 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.578 -30.797 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.938 -28.998 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.011 -28.677 -5.479 1.00 0.00 H new ATOM 471 N ASP A 33 21.223 -29.824 -3.916 1.00 0.00 N ATOM 472 CA ASP A 33 20.254 -30.305 -2.938 1.00 0.00 C ATOM 473 C ASP A 33 19.264 -29.205 -2.567 1.00 0.00 C ATOM 474 O ASP A 33 19.594 -28.287 -1.817 1.00 0.00 O ATOM 475 CB ASP A 33 20.970 -30.808 -1.683 1.00 0.00 C ATOM 476 CG ASP A 33 21.817 -32.036 -1.953 1.00 0.00 C ATOM 477 OD1 ASP A 33 21.243 -33.090 -2.297 1.00 0.00 O ATOM 478 OD2 ASP A 33 23.055 -31.942 -1.821 1.00 0.00 O ATOM 0 H ASP A 33 21.286 -28.808 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 33 19.701 -31.130 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.603 -30.014 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.232 -31.041 -0.916 1.00 0.00 H new ATOM 483 N ARG A 34 18.050 -29.305 -3.099 1.00 0.00 N ATOM 484 CA ARG A 34 17.013 -28.318 -2.826 1.00 0.00 C ATOM 485 C ARG A 34 16.602 -28.353 -1.357 1.00 0.00 C ATOM 486 O ARG A 34 16.404 -27.311 -0.733 1.00 0.00 O ATOM 487 CB ARG A 34 15.793 -28.569 -3.714 1.00 0.00 C ATOM 488 CG ARG A 34 16.082 -28.430 -5.200 1.00 0.00 C ATOM 489 CD ARG A 34 16.155 -26.970 -5.619 1.00 0.00 C ATOM 490 NE ARG A 34 14.853 -26.314 -5.547 1.00 0.00 N ATOM 491 CZ ARG A 34 13.945 -26.373 -6.515 1.00 0.00 C ATOM 492 NH1 ARG A 34 14.197 -27.055 -7.624 1.00 0.00 N ATOM 493 NH2 ARG A 34 12.783 -25.749 -6.375 1.00 0.00 N ATOM 0 H ARG A 34 17.761 -30.060 -3.721 1.00 0.00 H new ATOM 0 HA ARG A 34 17.419 -27.331 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.412 -29.572 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.004 -27.869 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.024 -28.925 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.304 -28.935 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.862 -26.444 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.538 -26.904 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 34 14.628 -25.781 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.090 -27.536 -7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.498 -27.099 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.586 -25.223 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.087 -25.795 -7.119 1.00 0.00 H new ATOM 507 N GLU A 35 16.475 -29.559 -0.812 1.00 0.00 N ATOM 508 CA GLU A 35 16.086 -29.728 0.583 1.00 0.00 C ATOM 509 C GLU A 35 17.120 -29.103 1.516 1.00 0.00 C ATOM 510 O GLU A 35 16.787 -28.269 2.357 1.00 0.00 O ATOM 511 CB GLU A 35 15.919 -31.213 0.912 1.00 0.00 C ATOM 512 CG GLU A 35 14.469 -31.643 1.063 1.00 0.00 C ATOM 513 CD GLU A 35 14.133 -32.073 2.478 1.00 0.00 C ATOM 514 OE1 GLU A 35 14.678 -31.469 3.426 1.00 0.00 O ATOM 515 OE2 GLU A 35 13.325 -33.012 2.638 1.00 0.00 O ATOM 0 H GLU A 35 16.636 -30.432 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 35 15.133 -29.220 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.385 -31.806 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.453 -31.434 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.817 -30.819 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.265 -32.467 0.379 1.00 0.00 H new ATOM 522 N GLN A 36 18.374 -29.514 1.360 1.00 0.00 N ATOM 523 CA GLN A 36 19.456 -28.996 2.189 1.00 0.00 C ATOM 524 C GLN A 36 19.838 -27.582 1.764 1.00 0.00 C ATOM 525 O GLN A 36 20.340 -26.796 2.567 1.00 0.00 O ATOM 526 CB GLN A 36 20.677 -29.913 2.104 1.00 0.00 C ATOM 527 CG GLN A 36 20.333 -31.392 2.176 1.00 0.00 C ATOM 528 CD GLN A 36 21.381 -32.268 1.519 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.494 -32.411 2.026 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.031 -32.862 0.384 1.00 0.00 N ATOM 0 H GLN A 36 18.666 -30.204 0.668 1.00 0.00 H new ATOM 0 HA GLN A 36 19.105 -28.964 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.205 -29.716 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.362 -29.668 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.223 -31.685 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.370 -31.561 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.098 -32.716 -0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.695 -33.464 -0.102 1.00 0.00 H new ATOM 539 N GLY A 37 19.596 -27.264 0.496 1.00 0.00 N ATOM 540 CA GLY A 37 19.920 -25.945 -0.013 1.00 0.00 C ATOM 541 C GLY A 37 21.358 -25.842 -0.483 1.00 0.00 C ATOM 542 O GLY A 37 21.937 -24.755 -0.497 1.00 0.00 O ATOM 0 H GLY A 37 19.181 -27.897 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.252 -25.704 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.742 -25.204 0.766 1.00 0.00 H new ATOM 546 N ILE A 38 21.936 -26.975 -0.866 1.00 0.00 N ATOM 547 CA ILE A 38 23.315 -27.008 -1.337 1.00 0.00 C ATOM 548 C ILE A 38 23.391 -26.721 -2.833 1.00 0.00 C ATOM 549 O ILE A 38 22.577 -27.216 -3.614 1.00 0.00 O ATOM 550 CB ILE A 38 23.975 -28.370 -1.053 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.928 -28.681 0.445 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.410 -28.378 -1.557 1.00 0.00 C ATOM 553 CD1 ILE A 38 24.062 -30.154 0.761 1.00 0.00 C ATOM 0 H ILE A 38 21.471 -27.883 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 38 23.853 -26.232 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 38 23.420 -29.144 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.728 -28.136 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 38 22.987 -28.314 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.863 -29.347 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.419 -28.196 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.977 -27.596 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 38 24.020 -30.300 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.247 -30.703 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 38 25.015 -30.522 0.382 1.00 0.00 H new ATOM 565 N PHE A 39 24.376 -25.921 -3.227 1.00 0.00 N ATOM 566 CA PHE A 39 24.561 -25.569 -4.630 1.00 0.00 C ATOM 567 C PHE A 39 26.043 -25.499 -4.983 1.00 0.00 C ATOM 568 O PHE A 39 26.893 -25.328 -4.109 1.00 0.00 O ATOM 569 CB PHE A 39 23.889 -24.228 -4.934 1.00 0.00 C ATOM 570 CG PHE A 39 24.599 -23.051 -4.327 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.546 -22.822 -2.962 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.319 -22.175 -5.122 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.197 -21.739 -2.402 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.973 -21.091 -4.568 1.00 0.00 C ATOM 575 CZ PHE A 39 25.913 -20.873 -3.205 1.00 0.00 C ATOM 0 H PHE A 39 25.059 -25.504 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 39 24.098 -26.346 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.837 -24.093 -6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.863 -24.253 -4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.990 -23.497 -2.328 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.370 -22.341 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 39 25.146 -21.570 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.530 -20.415 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.425 -20.028 -2.769 1.00 0.00 H new ATOM 585 N ARG A 40 26.346 -25.634 -6.270 1.00 0.00 N ATOM 586 CA ARG A 40 27.726 -25.589 -6.739 1.00 0.00 C ATOM 587 C ARG A 40 27.928 -24.438 -7.721 1.00 0.00 C ATOM 588 O ARG A 40 27.048 -24.133 -8.527 1.00 0.00 O ATOM 589 CB ARG A 40 28.105 -26.913 -7.404 1.00 0.00 C ATOM 590 CG ARG A 40 29.412 -26.855 -8.178 1.00 0.00 C ATOM 591 CD ARG A 40 29.532 -28.012 -9.157 1.00 0.00 C ATOM 592 NE ARG A 40 30.505 -27.739 -10.211 1.00 0.00 N ATOM 593 CZ ARG A 40 30.657 -28.502 -11.287 1.00 0.00 C ATOM 594 NH1 ARG A 40 29.903 -29.581 -11.450 1.00 0.00 N ATOM 595 NH2 ARG A 40 31.564 -28.188 -12.202 1.00 0.00 N ATOM 0 H ARG A 40 25.655 -25.775 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 40 28.372 -25.426 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.180 -27.686 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.305 -27.212 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.474 -25.911 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.250 -26.878 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.824 -28.913 -8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.558 -28.210 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 40 31.101 -26.917 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.205 -29.826 -10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.021 -30.166 -12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.146 -27.359 -12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.680 -28.775 -13.028 1.00 0.00 H new ATOM 609 N VAL A 41 29.093 -23.803 -7.649 1.00 0.00 N ATOM 610 CA VAL A 41 29.412 -22.687 -8.531 1.00 0.00 C ATOM 611 C VAL A 41 30.029 -23.177 -9.836 1.00 0.00 C ATOM 612 O VAL A 41 31.251 -23.244 -9.971 1.00 0.00 O ATOM 613 CB VAL A 41 30.381 -21.698 -7.857 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.681 -20.529 -8.783 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.809 -21.208 -6.535 1.00 0.00 C ATOM 0 H VAL A 41 29.832 -24.043 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 41 28.474 -22.175 -8.746 1.00 0.00 H new ATOM 0 HB VAL A 41 31.317 -22.217 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.367 -19.841 -8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.137 -20.900 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.754 -20.008 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.507 -20.510 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.858 -20.705 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.651 -22.057 -5.870 1.00 0.00 H new ATOM 625 N VAL A 42 29.176 -23.519 -10.796 1.00 0.00 N ATOM 626 CA VAL A 42 29.637 -24.002 -12.092 1.00 0.00 C ATOM 627 C VAL A 42 30.595 -23.009 -12.739 1.00 0.00 C ATOM 628 O VAL A 42 31.686 -23.376 -13.176 1.00 0.00 O ATOM 629 CB VAL A 42 28.457 -24.257 -13.048 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.951 -24.836 -14.365 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.437 -25.181 -12.400 1.00 0.00 C ATOM 0 H VAL A 42 28.162 -23.471 -10.701 1.00 0.00 H new ATOM 0 HA VAL A 42 30.159 -24.942 -11.912 1.00 0.00 H new ATOM 0 HB VAL A 42 27.970 -23.305 -13.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.103 -25.009 -15.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.641 -24.135 -14.835 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.464 -25.779 -14.178 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.610 -25.350 -13.089 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.910 -26.133 -12.159 1.00 0.00 H new ATOM 0 HG23 VAL A 42 27.059 -24.722 -11.486 1.00 0.00 H new ATOM 641 N LYS A 43 30.181 -21.747 -12.797 1.00 0.00 N ATOM 642 CA LYS A 43 31.003 -20.698 -13.390 1.00 0.00 C ATOM 643 C LYS A 43 31.485 -19.718 -12.325 1.00 0.00 C ATOM 644 O LYS A 43 30.863 -18.681 -12.096 1.00 0.00 O ATOM 645 CB LYS A 43 30.214 -19.951 -14.466 1.00 0.00 C ATOM 646 CG LYS A 43 29.921 -20.789 -15.699 1.00 0.00 C ATOM 647 CD LYS A 43 28.993 -20.064 -16.659 1.00 0.00 C ATOM 648 CE LYS A 43 28.743 -20.882 -17.917 1.00 0.00 C ATOM 649 NZ LYS A 43 29.857 -20.750 -18.896 1.00 0.00 N ATOM 0 H LYS A 43 29.281 -21.426 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 43 31.874 -21.168 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.272 -19.606 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.773 -19.064 -14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.855 -21.030 -16.207 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.469 -21.734 -15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.044 -19.857 -16.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.427 -19.102 -16.930 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.618 -21.931 -17.649 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.811 -20.558 -18.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.648 -21.322 -19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.960 -19.753 -19.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.742 -21.083 -18.462 1.00 0.00 H new ATOM 663 N SER A 44 32.596 -20.054 -11.677 1.00 0.00 N ATOM 664 CA SER A 44 33.160 -19.204 -10.635 1.00 0.00 C ATOM 665 C SER A 44 33.610 -17.865 -11.210 1.00 0.00 C ATOM 666 O SER A 44 33.838 -16.906 -10.473 1.00 0.00 O ATOM 667 CB SER A 44 34.340 -19.905 -9.959 1.00 0.00 C ATOM 668 OG SER A 44 35.367 -20.188 -10.893 1.00 0.00 O ATOM 0 H SER A 44 33.123 -20.909 -11.855 1.00 0.00 H new ATOM 0 HA SER A 44 32.384 -19.018 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.733 -19.275 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.000 -20.831 -9.496 1.00 0.00 H new ATOM 0 HG SER A 44 36.110 -20.634 -10.436 1.00 0.00 H new ATOM 674 N GLU A 45 33.737 -17.808 -12.533 1.00 0.00 N ATOM 675 CA GLU A 45 34.162 -16.587 -13.207 1.00 0.00 C ATOM 676 C GLU A 45 32.974 -15.661 -13.453 1.00 0.00 C ATOM 677 O GLU A 45 32.999 -14.490 -13.075 1.00 0.00 O ATOM 678 CB GLU A 45 34.844 -16.923 -14.535 1.00 0.00 C ATOM 679 CG GLU A 45 36.278 -17.400 -14.379 1.00 0.00 C ATOM 680 CD GLU A 45 37.284 -16.272 -14.499 1.00 0.00 C ATOM 681 OE1 GLU A 45 37.399 -15.476 -13.543 1.00 0.00 O ATOM 682 OE2 GLU A 45 37.956 -16.184 -15.548 1.00 0.00 O ATOM 0 H GLU A 45 33.552 -18.593 -13.158 1.00 0.00 H new ATOM 0 HA GLU A 45 34.874 -16.073 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.267 -17.694 -15.045 1.00 0.00 H new ATOM 0 HB3 GLU A 45 34.831 -16.040 -15.174 1.00 0.00 H new ATOM 0 HG2 GLU A 45 36.393 -17.883 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 45 36.491 -18.154 -15.137 1.00 0.00 H new ATOM 689 N ALA A 46 31.936 -16.194 -14.088 1.00 0.00 N ATOM 690 CA ALA A 46 30.739 -15.417 -14.383 1.00 0.00 C ATOM 691 C ALA A 46 30.022 -15.005 -13.102 1.00 0.00 C ATOM 692 O ALA A 46 29.376 -13.958 -13.048 1.00 0.00 O ATOM 693 CB ALA A 46 29.803 -16.210 -15.283 1.00 0.00 C ATOM 0 H ALA A 46 31.900 -17.162 -14.408 1.00 0.00 H new ATOM 0 HA ALA A 46 31.044 -14.510 -14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.913 -15.617 -15.495 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.312 -16.448 -16.217 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.513 -17.134 -14.782 1.00 0.00 H new ATOM 699 N LEU A 47 30.139 -15.836 -12.071 1.00 0.00 N ATOM 700 CA LEU A 47 29.501 -15.559 -10.789 1.00 0.00 C ATOM 701 C LEU A 47 30.019 -14.253 -10.194 1.00 0.00 C ATOM 702 O LEU A 47 29.239 -13.396 -9.781 1.00 0.00 O ATOM 703 CB LEU A 47 29.750 -16.711 -9.814 1.00 0.00 C ATOM 704 CG LEU A 47 29.670 -16.361 -8.327 1.00 0.00 C ATOM 705 CD1 LEU A 47 28.262 -15.921 -7.958 1.00 0.00 C ATOM 706 CD2 LEU A 47 30.101 -17.547 -7.477 1.00 0.00 C ATOM 0 H LEU A 47 30.670 -16.707 -12.098 1.00 0.00 H new ATOM 0 HA LEU A 47 28.429 -15.460 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.026 -17.499 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.738 -17.125 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 47 30.350 -15.532 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 47 28.224 -15.676 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 47 27.990 -15.042 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.561 -16.729 -8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 47 30.038 -17.281 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.446 -18.395 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 47 31.128 -17.816 -7.722 1.00 0.00 H new ATOM 718 N ALA A 48 31.339 -14.108 -10.156 1.00 0.00 N ATOM 719 CA ALA A 48 31.961 -12.906 -9.616 1.00 0.00 C ATOM 720 C ALA A 48 31.665 -11.694 -10.493 1.00 0.00 C ATOM 721 O ALA A 48 31.221 -10.654 -10.005 1.00 0.00 O ATOM 722 CB ALA A 48 33.463 -13.105 -9.477 1.00 0.00 C ATOM 0 H ALA A 48 31.999 -14.809 -10.493 1.00 0.00 H new ATOM 0 HA ALA A 48 31.538 -12.720 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.914 -12.199 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.659 -13.940 -8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.894 -13.319 -10.455 1.00 0.00 H new ATOM 728 N LYS A 49 31.915 -11.833 -11.791 1.00 0.00 N ATOM 729 CA LYS A 49 31.675 -10.750 -12.737 1.00 0.00 C ATOM 730 C LYS A 49 30.275 -10.173 -12.560 1.00 0.00 C ATOM 731 O LYS A 49 30.105 -8.960 -12.439 1.00 0.00 O ATOM 732 CB LYS A 49 31.854 -11.251 -14.172 1.00 0.00 C ATOM 733 CG LYS A 49 32.993 -10.574 -14.915 1.00 0.00 C ATOM 734 CD LYS A 49 33.084 -11.054 -16.354 1.00 0.00 C ATOM 735 CE LYS A 49 34.338 -10.532 -17.038 1.00 0.00 C ATOM 736 NZ LYS A 49 34.398 -10.936 -18.470 1.00 0.00 N ATOM 0 H LYS A 49 32.284 -12.686 -12.212 1.00 0.00 H new ATOM 0 HA LYS A 49 32.401 -9.961 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 49 32.032 -12.326 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.927 -11.091 -14.722 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.847 -9.494 -14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.934 -10.776 -14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.083 -12.144 -16.376 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.203 -10.724 -16.905 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.365 -9.445 -16.966 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.219 -10.908 -16.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 35.267 -10.561 -18.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 34.398 -11.974 -18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 33.571 -10.556 -18.973 1.00 0.00 H new ATOM 750 N MET A 50 29.276 -11.049 -12.544 1.00 0.00 N ATOM 751 CA MET A 50 27.890 -10.625 -12.378 1.00 0.00 C ATOM 752 C MET A 50 27.697 -9.909 -11.045 1.00 0.00 C ATOM 753 O MET A 50 27.119 -8.823 -10.992 1.00 0.00 O ATOM 754 CB MET A 50 26.952 -11.830 -12.464 1.00 0.00 C ATOM 755 CG MET A 50 26.626 -12.246 -13.889 1.00 0.00 C ATOM 756 SD MET A 50 25.363 -13.531 -13.966 1.00 0.00 S ATOM 757 CE MET A 50 23.977 -12.689 -13.206 1.00 0.00 C ATOM 0 H MET A 50 29.400 -12.057 -12.644 1.00 0.00 H new ATOM 0 HA MET A 50 27.650 -9.929 -13.182 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.407 -12.672 -11.944 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.025 -11.596 -11.941 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.287 -11.375 -14.449 1.00 0.00 H new ATOM 0 HG3 MET A 50 27.533 -12.604 -14.375 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.046 -13.059 -13.636 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.981 -12.878 -12.133 1.00 0.00 H new ATOM 0 HE3 MET A 50 24.059 -11.617 -13.386 1.00 0.00 H new ATOM 767 N TRP A 51 28.183 -10.523 -9.973 1.00 0.00 N ATOM 768 CA TRP A 51 28.062 -9.944 -8.640 1.00 0.00 C ATOM 769 C TRP A 51 28.607 -8.520 -8.614 1.00 0.00 C ATOM 770 O TRP A 51 27.966 -7.609 -8.091 1.00 0.00 O ATOM 771 CB TRP A 51 28.804 -10.806 -7.618 1.00 0.00 C ATOM 772 CG TRP A 51 28.828 -10.209 -6.243 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.923 -10.022 -5.449 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.704 -9.724 -5.500 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.548 -9.450 -4.258 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.192 -9.256 -4.265 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.334 -9.637 -5.759 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.357 -8.711 -3.293 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.506 -9.096 -4.794 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.020 -8.638 -3.573 1.00 0.00 C ATOM 0 H TRP A 51 28.665 -11.422 -10.000 1.00 0.00 H new ATOM 0 HA TRP A 51 27.004 -9.913 -8.379 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.333 -11.788 -7.572 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.828 -10.959 -7.958 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.935 -10.285 -5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.177 -9.209 -3.492 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.929 -9.987 -6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.751 -8.358 -2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.445 -9.025 -4.984 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.347 -8.219 -2.839 1.00 0.00 H new ATOM 791 N GLY A 52 29.795 -8.335 -9.183 1.00 0.00 N ATOM 792 CA GLY A 52 30.405 -7.019 -9.214 1.00 0.00 C ATOM 793 C GLY A 52 29.476 -5.961 -9.776 1.00 0.00 C ATOM 794 O GLY A 52 29.344 -4.877 -9.208 1.00 0.00 O ATOM 0 H GLY A 52 30.345 -9.073 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.703 -6.737 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.313 -7.057 -9.816 1.00 0.00 H new ATOM 798 N GLN A 53 28.832 -6.276 -10.894 1.00 0.00 N ATOM 799 CA GLN A 53 27.912 -5.343 -11.534 1.00 0.00 C ATOM 800 C GLN A 53 26.854 -4.859 -10.548 1.00 0.00 C ATOM 801 O GLN A 53 26.364 -3.734 -10.651 1.00 0.00 O ATOM 802 CB GLN A 53 27.238 -6.004 -12.738 1.00 0.00 C ATOM 803 CG GLN A 53 28.158 -6.166 -13.937 1.00 0.00 C ATOM 804 CD GLN A 53 27.733 -5.316 -15.118 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.534 -4.108 -14.989 1.00 0.00 O ATOM 806 NE2 GLN A 53 27.592 -5.944 -16.280 1.00 0.00 N ATOM 0 H GLN A 53 28.930 -7.170 -11.376 1.00 0.00 H new ATOM 0 HA GLN A 53 28.487 -4.482 -11.875 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.865 -6.984 -12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.373 -5.409 -13.032 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.175 -5.898 -13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.177 -7.214 -14.237 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.767 -6.947 -16.342 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.309 -5.423 -17.110 1.00 0.00 H new ATOM 815 N ARG A 54 26.508 -5.714 -9.592 1.00 0.00 N ATOM 816 CA ARG A 54 25.507 -5.373 -8.587 1.00 0.00 C ATOM 817 C ARG A 54 26.077 -4.396 -7.563 1.00 0.00 C ATOM 818 O ARG A 54 25.396 -3.465 -7.131 1.00 0.00 O ATOM 819 CB ARG A 54 25.011 -6.637 -7.882 1.00 0.00 C ATOM 820 CG ARG A 54 24.859 -7.832 -8.808 1.00 0.00 C ATOM 821 CD ARG A 54 24.046 -7.479 -10.044 1.00 0.00 C ATOM 822 NE ARG A 54 22.615 -7.417 -9.760 1.00 0.00 N ATOM 823 CZ ARG A 54 21.688 -7.230 -10.692 1.00 0.00 C ATOM 824 NH1 ARG A 54 22.040 -7.087 -11.962 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.405 -7.186 -10.354 1.00 0.00 N ATOM 0 H ARG A 54 26.905 -6.648 -9.492 1.00 0.00 H new ATOM 0 HA ARG A 54 24.668 -4.894 -9.092 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.707 -6.894 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.050 -6.427 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.844 -8.188 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.374 -8.649 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.380 -6.518 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.229 -8.220 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 54 22.311 -7.523 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.025 -7.121 -12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.326 -6.943 -12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.131 -7.296 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.693 -7.042 -11.071 1.00 0.00 H new ATOM 839 N LYS A 55 27.329 -4.615 -7.177 1.00 0.00 N ATOM 840 CA LYS A 55 27.992 -3.754 -6.204 1.00 0.00 C ATOM 841 C LYS A 55 28.819 -2.680 -6.902 1.00 0.00 C ATOM 842 O LYS A 55 29.531 -1.911 -6.255 1.00 0.00 O ATOM 843 CB LYS A 55 28.888 -4.586 -5.284 1.00 0.00 C ATOM 844 CG LYS A 55 28.139 -5.656 -4.509 1.00 0.00 C ATOM 845 CD LYS A 55 28.318 -5.487 -3.009 1.00 0.00 C ATOM 846 CE LYS A 55 27.111 -4.811 -2.376 1.00 0.00 C ATOM 847 NZ LYS A 55 27.430 -4.251 -1.034 1.00 0.00 N ATOM 0 H LYS A 55 27.906 -5.382 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 55 27.223 -3.264 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.667 -5.060 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.387 -3.921 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.079 -5.611 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.495 -6.641 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.473 -6.462 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 55 29.212 -4.895 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.758 -4.012 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.298 -5.531 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.582 -3.799 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.742 -5.017 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 28.189 -3.545 -1.124 1.00 0.00 H new ATOM 861 N LYS A 56 28.721 -2.631 -8.226 1.00 0.00 N ATOM 862 CA LYS A 56 29.458 -1.649 -9.013 1.00 0.00 C ATOM 863 C LYS A 56 30.961 -1.807 -8.810 1.00 0.00 C ATOM 864 O LYS A 56 31.714 -0.839 -8.903 1.00 0.00 O ATOM 865 CB LYS A 56 29.026 -0.231 -8.631 1.00 0.00 C ATOM 866 CG LYS A 56 27.651 0.147 -9.153 1.00 0.00 C ATOM 867 CD LYS A 56 27.599 1.604 -9.581 1.00 0.00 C ATOM 868 CE LYS A 56 26.624 2.402 -8.727 1.00 0.00 C ATOM 869 NZ LYS A 56 27.048 3.822 -8.582 1.00 0.00 N ATOM 0 H LYS A 56 28.138 -3.261 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 56 29.232 -1.819 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 56 29.031 -0.139 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.759 0.479 -9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.394 -0.491 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 56 26.905 -0.033 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.594 2.042 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 56 27.303 1.666 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.632 2.363 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 56 26.546 1.944 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.358 4.332 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 27.984 3.860 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 27.098 4.267 -9.521 1.00 0.00 H new ATOM 883 N ASN A 57 31.391 -3.034 -8.533 1.00 0.00 N ATOM 884 CA ASN A 57 32.805 -3.318 -8.318 1.00 0.00 C ATOM 885 C ASN A 57 33.454 -3.848 -9.593 1.00 0.00 C ATOM 886 O ASN A 57 33.554 -5.059 -9.793 1.00 0.00 O ATOM 887 CB ASN A 57 32.976 -4.332 -7.185 1.00 0.00 C ATOM 888 CG ASN A 57 34.432 -4.672 -6.929 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.300 -4.396 -7.756 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.704 -5.275 -5.777 1.00 0.00 N ATOM 0 H ASN A 57 30.780 -3.847 -8.452 1.00 0.00 H new ATOM 0 HA ASN A 57 33.299 -2.387 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.533 -3.932 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.431 -5.243 -7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.665 -5.528 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.952 -5.485 -5.121 1.00 0.00 H new ATOM 897 N ASP A 58 33.893 -2.934 -10.451 1.00 0.00 N ATOM 898 CA ASP A 58 34.534 -3.309 -11.706 1.00 0.00 C ATOM 899 C ASP A 58 35.698 -4.263 -11.458 1.00 0.00 C ATOM 900 O ASP A 58 36.144 -4.964 -12.367 1.00 0.00 O ATOM 901 CB ASP A 58 35.027 -2.063 -12.444 1.00 0.00 C ATOM 902 CG ASP A 58 34.734 -2.117 -13.930 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.315 -2.982 -14.618 1.00 0.00 O ATOM 904 OD2 ASP A 58 33.924 -1.293 -14.406 1.00 0.00 O ATOM 0 H ASP A 58 33.817 -1.928 -10.300 1.00 0.00 H new ATOM 0 HA ASP A 58 33.795 -3.819 -12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.554 -1.179 -12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.101 -1.955 -12.292 1.00 0.00 H new ATOM 909 N ARG A 59 36.187 -4.283 -10.222 1.00 0.00 N ATOM 910 CA ARG A 59 37.301 -5.149 -9.856 1.00 0.00 C ATOM 911 C ARG A 59 36.811 -6.363 -9.072 1.00 0.00 C ATOM 912 O ARG A 59 37.512 -6.877 -8.202 1.00 0.00 O ATOM 913 CB ARG A 59 38.326 -4.373 -9.026 1.00 0.00 C ATOM 914 CG ARG A 59 38.955 -3.207 -9.771 1.00 0.00 C ATOM 915 CD ARG A 59 40.459 -3.382 -9.909 1.00 0.00 C ATOM 916 NE ARG A 59 40.823 -4.016 -11.174 1.00 0.00 N ATOM 917 CZ ARG A 59 42.058 -4.026 -11.663 1.00 0.00 C ATOM 918 NH1 ARG A 59 43.043 -3.441 -10.996 1.00 0.00 N ATOM 919 NH2 ARG A 59 42.309 -4.624 -12.820 1.00 0.00 N ATOM 0 H ARG A 59 35.829 -3.710 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 59 37.775 -5.497 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.842 -3.998 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 59 39.113 -5.055 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 59 38.505 -3.120 -10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.742 -2.278 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.945 -2.409 -9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.831 -3.985 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 59 40.088 -4.476 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 59 42.853 -2.982 -10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 59 43.990 -3.450 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 59 41.554 -5.076 -13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 59 43.258 -4.631 -13.195 1.00 0.00 H new ATOM 933 N MET A 60 35.602 -6.816 -9.388 1.00 0.00 N ATOM 934 CA MET A 60 35.018 -7.970 -8.714 1.00 0.00 C ATOM 935 C MET A 60 35.584 -9.271 -9.276 1.00 0.00 C ATOM 936 O MET A 60 35.643 -9.461 -10.491 1.00 0.00 O ATOM 937 CB MET A 60 33.495 -7.957 -8.861 1.00 0.00 C ATOM 938 CG MET A 60 32.814 -9.164 -8.236 1.00 0.00 C ATOM 939 SD MET A 60 33.302 -9.425 -6.520 1.00 0.00 S ATOM 940 CE MET A 60 32.561 -7.995 -5.736 1.00 0.00 C ATOM 0 H MET A 60 35.008 -6.402 -10.106 1.00 0.00 H new ATOM 0 HA MET A 60 35.274 -7.910 -7.656 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.102 -7.050 -8.402 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.241 -7.914 -9.920 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.733 -9.033 -8.286 1.00 0.00 H new ATOM 0 HG3 MET A 60 33.055 -10.054 -8.818 1.00 0.00 H new ATOM 0 HE1 MET A 60 33.342 -7.377 -5.294 1.00 0.00 H new ATOM 0 HE2 MET A 60 32.015 -7.414 -6.480 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.874 -8.323 -4.956 1.00 0.00 H new ATOM 950 N THR A 61 35.999 -10.165 -8.383 1.00 0.00 N ATOM 951 CA THR A 61 36.561 -11.447 -8.790 1.00 0.00 C ATOM 952 C THR A 61 36.325 -12.512 -7.725 1.00 0.00 C ATOM 953 O THR A 61 36.462 -12.251 -6.530 1.00 0.00 O ATOM 954 CB THR A 61 38.072 -11.336 -9.064 1.00 0.00 C ATOM 955 OG1 THR A 61 38.552 -12.545 -9.662 1.00 0.00 O ATOM 956 CG2 THR A 61 38.837 -11.062 -7.777 1.00 0.00 C ATOM 0 H THR A 61 35.956 -10.024 -7.374 1.00 0.00 H new ATOM 0 HA THR A 61 36.054 -11.738 -9.710 1.00 0.00 H new ATOM 0 HB THR A 61 38.234 -10.504 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.513 -12.465 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.902 -10.988 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.490 -10.126 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.667 -11.876 -7.072 1.00 0.00 H new ATOM 964 N TYR A 62 35.972 -13.714 -8.167 1.00 0.00 N ATOM 965 CA TYR A 62 35.716 -14.820 -7.251 1.00 0.00 C ATOM 966 C TYR A 62 36.708 -14.808 -6.092 1.00 0.00 C ATOM 967 O TYR A 62 36.360 -15.141 -4.960 1.00 0.00 O ATOM 968 CB TYR A 62 35.798 -16.154 -7.994 1.00 0.00 C ATOM 969 CG TYR A 62 35.053 -17.276 -7.307 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.749 -17.100 -6.861 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.653 -18.513 -7.104 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.065 -18.122 -6.232 1.00 0.00 C ATOM 973 CE2 TYR A 62 34.976 -19.541 -6.478 1.00 0.00 C ATOM 974 CZ TYR A 62 33.682 -19.341 -6.043 1.00 0.00 C ATOM 975 OH TYR A 62 33.004 -20.362 -5.418 1.00 0.00 O ATOM 0 H TYR A 62 35.857 -13.947 -9.153 1.00 0.00 H new ATOM 0 HA TYR A 62 34.711 -14.699 -6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.398 -16.025 -9.000 1.00 0.00 H new ATOM 0 HB3 TYR A 62 36.845 -16.437 -8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.262 -16.148 -7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.666 -18.673 -7.442 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.052 -17.967 -5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.457 -20.497 -6.330 1.00 0.00 H new ATOM 0 HH TYR A 62 33.239 -20.376 -4.467 1.00 0.00 H new ATOM 985 N GLU A 63 37.946 -14.421 -6.385 1.00 0.00 N ATOM 986 CA GLU A 63 38.989 -14.366 -5.368 1.00 0.00 C ATOM 987 C GLU A 63 38.574 -13.463 -4.211 1.00 0.00 C ATOM 988 O GLU A 63 38.741 -13.815 -3.043 1.00 0.00 O ATOM 989 CB GLU A 63 40.300 -13.862 -5.977 1.00 0.00 C ATOM 990 CG GLU A 63 41.524 -14.631 -5.509 1.00 0.00 C ATOM 991 CD GLU A 63 42.823 -13.972 -5.928 1.00 0.00 C ATOM 992 OE1 GLU A 63 42.964 -13.649 -7.127 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.698 -13.778 -5.059 1.00 0.00 O ATOM 0 H GLU A 63 38.250 -14.141 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 63 39.139 -15.375 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.234 -13.926 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.426 -12.809 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.500 -14.719 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.488 -15.643 -5.912 1.00 0.00 H new ATOM 1000 N LYS A 64 38.031 -12.297 -4.543 1.00 0.00 N ATOM 1001 CA LYS A 64 37.590 -11.342 -3.533 1.00 0.00 C ATOM 1002 C LYS A 64 36.175 -11.663 -3.063 1.00 0.00 C ATOM 1003 O LYS A 64 35.867 -11.561 -1.874 1.00 0.00 O ATOM 1004 CB LYS A 64 37.643 -9.918 -4.091 1.00 0.00 C ATOM 1005 CG LYS A 64 39.014 -9.517 -4.606 1.00 0.00 C ATOM 1006 CD LYS A 64 38.977 -8.164 -5.297 1.00 0.00 C ATOM 1007 CE LYS A 64 40.247 -7.910 -6.094 1.00 0.00 C ATOM 1008 NZ LYS A 64 41.423 -7.687 -5.208 1.00 0.00 N ATOM 0 H LYS A 64 37.886 -11.990 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 64 38.263 -11.416 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.919 -9.827 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 64 37.339 -9.220 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.720 -9.483 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.377 -10.272 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.114 -8.117 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.850 -7.378 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.441 -8.760 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.105 -7.040 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 42.268 -7.518 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 41.249 -6.861 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.574 -8.527 -4.614 1.00 0.00 H new ATOM 1022 N LEU A 65 35.318 -12.051 -4.001 1.00 0.00 N ATOM 1023 CA LEU A 65 33.935 -12.389 -3.681 1.00 0.00 C ATOM 1024 C LEU A 65 33.873 -13.470 -2.607 1.00 0.00 C ATOM 1025 O LEU A 65 33.101 -13.368 -1.654 1.00 0.00 O ATOM 1026 CB LEU A 65 33.201 -12.860 -4.938 1.00 0.00 C ATOM 1027 CG LEU A 65 31.810 -13.456 -4.720 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.878 -13.068 -5.857 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.894 -14.970 -4.589 1.00 0.00 C ATOM 0 H LEU A 65 35.556 -12.139 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 65 33.447 -11.493 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 65 33.109 -12.014 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.820 -13.606 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 65 31.404 -13.053 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.893 -13.501 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.794 -11.982 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.278 -13.442 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.895 -15.378 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.321 -15.391 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.526 -15.227 -3.739 1.00 0.00 H new ATOM 1041 N SER A 66 34.692 -14.504 -2.767 1.00 0.00 N ATOM 1042 CA SER A 66 34.728 -15.605 -1.812 1.00 0.00 C ATOM 1043 C SER A 66 34.883 -15.083 -0.387 1.00 0.00 C ATOM 1044 O SER A 66 34.370 -15.677 0.562 1.00 0.00 O ATOM 1045 CB SER A 66 35.877 -16.559 -2.145 1.00 0.00 C ATOM 1046 OG SER A 66 37.132 -15.969 -1.851 1.00 0.00 O ATOM 0 H SER A 66 35.340 -14.602 -3.549 1.00 0.00 H new ATOM 0 HA SER A 66 33.784 -16.145 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.764 -17.482 -1.577 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.836 -16.828 -3.201 1.00 0.00 H new ATOM 0 HG SER A 66 37.314 -15.251 -2.493 1.00 0.00 H new ATOM 1052 N ARG A 67 35.592 -13.968 -0.245 1.00 0.00 N ATOM 1053 CA ARG A 67 35.816 -13.366 1.063 1.00 0.00 C ATOM 1054 C ARG A 67 34.517 -13.299 1.860 1.00 0.00 C ATOM 1055 O ARG A 67 34.499 -13.563 3.062 1.00 0.00 O ATOM 1056 CB ARG A 67 36.405 -11.962 0.908 1.00 0.00 C ATOM 1057 CG ARG A 67 35.354 -10.866 0.838 1.00 0.00 C ATOM 1058 CD ARG A 67 35.992 -9.486 0.796 1.00 0.00 C ATOM 1059 NE ARG A 67 35.366 -8.565 1.741 1.00 0.00 N ATOM 1060 CZ ARG A 67 34.141 -8.074 1.587 1.00 0.00 C ATOM 1061 NH1 ARG A 67 33.415 -8.414 0.532 1.00 0.00 N ATOM 1062 NH2 ARG A 67 33.640 -7.241 2.491 1.00 0.00 N ATOM 0 H ARG A 67 36.021 -13.463 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 67 36.524 -13.992 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 67 37.071 -11.762 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 67 37.013 -11.930 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.735 -11.009 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.694 -10.937 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 67 37.055 -9.571 1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.912 -9.080 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 67 35.898 -8.283 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 67 33.796 -9.054 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 67 32.475 -8.036 0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 67 34.196 -6.977 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 67 32.700 -6.865 2.372 1.00 0.00 H new ATOM 1076 N ALA A 68 33.430 -12.943 1.182 1.00 0.00 N ATOM 1077 CA ALA A 68 32.127 -12.842 1.826 1.00 0.00 C ATOM 1078 C ALA A 68 31.539 -14.224 2.094 1.00 0.00 C ATOM 1079 O ALA A 68 30.820 -14.424 3.074 1.00 0.00 O ATOM 1080 CB ALA A 68 31.176 -12.020 0.968 1.00 0.00 C ATOM 0 H ALA A 68 33.427 -12.720 0.187 1.00 0.00 H new ATOM 0 HA ALA A 68 32.261 -12.340 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 68 30.206 -11.953 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.583 -11.018 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 68 31.056 -12.499 -0.004 1.00 0.00 H new ATOM 1086 N LEU A 69 31.848 -15.173 1.218 1.00 0.00 N ATOM 1087 CA LEU A 69 31.350 -16.537 1.360 1.00 0.00 C ATOM 1088 C LEU A 69 31.922 -17.199 2.610 1.00 0.00 C ATOM 1089 O LEU A 69 31.259 -18.012 3.253 1.00 0.00 O ATOM 1090 CB LEU A 69 31.707 -17.363 0.123 1.00 0.00 C ATOM 1091 CG LEU A 69 31.283 -16.773 -1.222 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.667 -17.707 -2.359 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.786 -16.500 -1.237 1.00 0.00 C ATOM 0 H LEU A 69 32.441 -15.024 0.402 1.00 0.00 H new ATOM 0 HA LEU A 69 30.265 -16.492 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.787 -17.511 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.252 -18.348 0.225 1.00 0.00 H new ATOM 0 HG LEU A 69 31.806 -15.827 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.357 -17.271 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.747 -17.852 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.172 -18.669 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.502 -16.080 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.245 -17.432 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.537 -15.792 -0.446 1.00 0.00 H new ATOM 1105 N ARG A 70 33.157 -16.843 2.948 1.00 0.00 N ATOM 1106 CA ARG A 70 33.819 -17.402 4.122 1.00 0.00 C ATOM 1107 C ARG A 70 33.499 -16.581 5.368 1.00 0.00 C ATOM 1108 O ARG A 70 33.623 -17.068 6.492 1.00 0.00 O ATOM 1109 CB ARG A 70 35.332 -17.451 3.905 1.00 0.00 C ATOM 1110 CG ARG A 70 35.738 -18.091 2.588 1.00 0.00 C ATOM 1111 CD ARG A 70 36.378 -19.454 2.804 1.00 0.00 C ATOM 1112 NE ARG A 70 37.720 -19.345 3.369 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.478 -20.394 3.670 1.00 0.00 C ATOM 1114 NH1 ARG A 70 38.027 -21.624 3.461 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.689 -20.214 4.181 1.00 0.00 N ATOM 0 H ARG A 70 33.719 -16.171 2.426 1.00 0.00 H new ATOM 0 HA ARG A 70 33.447 -18.416 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.729 -16.437 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.790 -18.004 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.862 -18.197 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.437 -17.438 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 70 35.751 -20.047 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.427 -19.986 1.854 1.00 0.00 H new ATOM 0 HE ARG A 70 38.096 -18.413 3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 70 37.096 -21.766 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 70 38.611 -22.428 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.039 -19.270 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.270 -21.020 4.412 1.00 0.00 H new ATOM 1129 N TYR A 71 33.087 -15.336 5.160 1.00 0.00 N ATOM 1130 CA TYR A 71 32.753 -14.447 6.267 1.00 0.00 C ATOM 1131 C TYR A 71 31.321 -14.682 6.740 1.00 0.00 C ATOM 1132 O TYR A 71 30.965 -14.344 7.869 1.00 0.00 O ATOM 1133 CB TYR A 71 32.930 -12.987 5.847 1.00 0.00 C ATOM 1134 CG TYR A 71 32.425 -11.997 6.872 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.093 -11.603 6.889 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.280 -11.456 7.825 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.627 -10.698 7.823 1.00 0.00 C ATOM 1138 CE2 TYR A 71 32.823 -10.551 8.764 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.496 -10.175 8.759 1.00 0.00 C ATOM 1140 OH TYR A 71 31.036 -9.275 9.692 1.00 0.00 O ATOM 0 H TYR A 71 32.976 -14.919 4.236 1.00 0.00 H new ATOM 0 HA TYR A 71 33.430 -14.665 7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.987 -12.797 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.406 -12.822 4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.410 -12.011 6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.320 -11.748 7.832 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.589 -10.401 7.821 1.00 0.00 H new ATOM 0 HE2 TYR A 71 33.501 -10.140 9.498 1.00 0.00 H new ATOM 0 HH TYR A 71 31.774 -9.005 10.278 1.00 0.00 H new ATOM 1150 N TYR A 72 30.505 -15.262 5.868 1.00 0.00 N ATOM 1151 CA TYR A 72 29.111 -15.541 6.194 1.00 0.00 C ATOM 1152 C TYR A 72 29.006 -16.667 7.218 1.00 0.00 C ATOM 1153 O TYR A 72 28.058 -16.722 8.002 1.00 0.00 O ATOM 1154 CB TYR A 72 28.334 -15.913 4.930 1.00 0.00 C ATOM 1155 CG TYR A 72 27.773 -14.719 4.191 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.102 -13.710 4.870 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.913 -14.601 2.813 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.587 -12.618 4.199 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.403 -13.512 2.134 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.740 -12.523 2.831 1.00 0.00 C ATOM 1161 OH TYR A 72 26.229 -11.437 2.159 1.00 0.00 O ATOM 0 H TYR A 72 30.784 -15.548 4.930 1.00 0.00 H new ATOM 0 HA TYR A 72 28.678 -14.639 6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 72 28.990 -16.469 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.515 -16.580 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.981 -13.780 5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.430 -15.374 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.067 -11.843 4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.522 -13.435 1.063 1.00 0.00 H new ATOM 0 HH TYR A 72 26.176 -11.640 1.202 1.00 0.00 H new ATOM 1171 N TYR A 73 29.988 -17.562 7.207 1.00 0.00 N ATOM 1172 CA TYR A 73 30.006 -18.688 8.133 1.00 0.00 C ATOM 1173 C TYR A 73 29.978 -18.204 9.580 1.00 0.00 C ATOM 1174 O TYR A 73 29.482 -18.895 10.469 1.00 0.00 O ATOM 1175 CB TYR A 73 31.248 -19.549 7.896 1.00 0.00 C ATOM 1176 CG TYR A 73 31.332 -20.119 6.498 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.224 -20.702 5.896 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.520 -20.072 5.779 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.297 -21.224 4.619 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.602 -20.590 4.500 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.488 -21.165 3.925 1.00 0.00 C ATOM 1182 OH TYR A 73 31.564 -21.683 2.653 1.00 0.00 O ATOM 0 H TYR A 73 30.782 -17.529 6.567 1.00 0.00 H new ATOM 0 HA TYR A 73 29.115 -19.289 7.953 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.138 -18.949 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.254 -20.369 8.614 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.290 -20.748 6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.394 -19.623 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.427 -21.676 4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.533 -20.545 3.954 1.00 0.00 H new ATOM 0 HH TYR A 73 32.471 -21.561 2.304 1.00 0.00 H new ATOM 1192 N LYS A 74 30.513 -17.009 9.807 1.00 0.00 N ATOM 1193 CA LYS A 74 30.549 -16.429 11.144 1.00 0.00 C ATOM 1194 C LYS A 74 29.146 -16.061 11.616 1.00 0.00 C ATOM 1195 O LYS A 74 28.815 -16.212 12.792 1.00 0.00 O ATOM 1196 CB LYS A 74 31.445 -15.188 11.160 1.00 0.00 C ATOM 1197 CG LYS A 74 32.714 -15.344 10.340 1.00 0.00 C ATOM 1198 CD LYS A 74 33.915 -14.747 11.054 1.00 0.00 C ATOM 1199 CE LYS A 74 35.209 -15.427 10.632 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.298 -16.819 11.151 1.00 0.00 N ATOM 0 H LYS A 74 30.928 -16.423 9.082 1.00 0.00 H new ATOM 0 HA LYS A 74 30.959 -17.175 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.880 -14.337 10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.714 -14.958 12.191 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.894 -16.401 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.586 -14.858 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.976 -13.681 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.785 -14.846 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.274 -15.440 9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 74 36.059 -14.849 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.293 -17.123 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 34.915 -16.854 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 34.749 -17.454 10.537 1.00 0.00 H new ATOM 1214 N THR A 75 28.322 -15.579 10.690 1.00 0.00 N ATOM 1215 CA THR A 75 26.955 -15.190 11.011 1.00 0.00 C ATOM 1216 C THR A 75 25.993 -16.358 10.822 1.00 0.00 C ATOM 1217 O THR A 75 24.921 -16.396 11.425 1.00 0.00 O ATOM 1218 CB THR A 75 26.487 -14.009 10.140 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.444 -14.402 8.763 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.417 -12.816 10.302 1.00 0.00 C ATOM 0 H THR A 75 28.578 -15.449 9.711 1.00 0.00 H new ATOM 0 HA THR A 75 26.951 -14.884 12.057 1.00 0.00 H new ATOM 0 HB THR A 75 25.488 -13.719 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.982 -15.211 8.637 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.067 -11.994 9.678 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.426 -12.501 11.345 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.426 -13.097 9.999 1.00 0.00 H new ATOM 1228 N GLY A 76 26.384 -17.311 9.981 1.00 0.00 N ATOM 1229 CA GLY A 76 25.545 -18.468 9.729 1.00 0.00 C ATOM 1230 C GLY A 76 24.922 -18.442 8.347 1.00 0.00 C ATOM 1231 O GLY A 76 24.533 -19.482 7.815 1.00 0.00 O ATOM 0 H GLY A 76 27.267 -17.302 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.139 -19.375 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.756 -18.511 10.479 1.00 0.00 H new ATOM 1235 N ILE A 77 24.827 -17.251 7.765 1.00 0.00 N ATOM 1236 CA ILE A 77 24.247 -17.095 6.437 1.00 0.00 C ATOM 1237 C ILE A 77 24.644 -18.250 5.525 1.00 0.00 C ATOM 1238 O ILE A 77 23.809 -18.807 4.810 1.00 0.00 O ATOM 1239 CB ILE A 77 24.680 -15.769 5.786 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.171 -14.582 6.606 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.169 -15.689 4.355 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.675 -14.382 6.515 1.00 0.00 C ATOM 0 H ILE A 77 25.144 -16.381 8.192 1.00 0.00 H new ATOM 0 HA ILE A 77 23.164 -17.091 6.564 1.00 0.00 H new ATOM 0 HB ILE A 77 25.769 -15.731 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.447 -14.727 7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.672 -13.675 6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.483 -14.746 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.576 -16.518 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.080 -15.746 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.385 -13.523 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.394 -14.205 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.166 -15.273 6.882 1.00 0.00 H new ATOM 1254 N LEU A 78 25.923 -18.608 5.554 1.00 0.00 N ATOM 1255 CA LEU A 78 26.431 -19.699 4.731 1.00 0.00 C ATOM 1256 C LEU A 78 26.847 -20.886 5.595 1.00 0.00 C ATOM 1257 O LEU A 78 26.983 -20.761 6.812 1.00 0.00 O ATOM 1258 CB LEU A 78 27.619 -19.222 3.894 1.00 0.00 C ATOM 1259 CG LEU A 78 27.293 -18.733 2.482 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.523 -18.119 1.832 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.753 -19.875 1.634 1.00 0.00 C ATOM 0 H LEU A 78 26.627 -18.158 6.139 1.00 0.00 H new ATOM 0 HA LEU A 78 25.631 -20.021 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.115 -18.414 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.335 -20.040 3.817 1.00 0.00 H new ATOM 0 HG LEU A 78 26.524 -17.964 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.272 -17.777 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.866 -17.273 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.315 -18.866 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.526 -19.509 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.500 -20.666 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.845 -20.269 2.090 1.00 0.00 H new ATOM 1273 N GLU A 79 27.050 -22.034 4.957 1.00 0.00 N ATOM 1274 CA GLU A 79 27.452 -23.242 5.668 1.00 0.00 C ATOM 1275 C GLU A 79 28.799 -23.749 5.161 1.00 0.00 C ATOM 1276 O GLU A 79 28.966 -24.014 3.971 1.00 0.00 O ATOM 1277 CB GLU A 79 26.391 -24.332 5.507 1.00 0.00 C ATOM 1278 CG GLU A 79 25.641 -24.646 6.791 1.00 0.00 C ATOM 1279 CD GLU A 79 26.119 -25.926 7.448 1.00 0.00 C ATOM 1280 OE1 GLU A 79 25.900 -27.009 6.865 1.00 0.00 O ATOM 1281 OE2 GLU A 79 26.711 -25.846 8.545 1.00 0.00 O ATOM 0 H GLU A 79 26.943 -22.153 3.950 1.00 0.00 H new ATOM 0 HA GLU A 79 27.551 -22.995 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.676 -24.021 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.869 -25.242 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.760 -23.817 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.576 -24.729 6.574 1.00 0.00 H new ATOM 1288 N ARG A 80 29.756 -23.880 6.073 1.00 0.00 N ATOM 1289 CA ARG A 80 31.089 -24.353 5.719 1.00 0.00 C ATOM 1290 C ARG A 80 31.014 -25.679 4.968 1.00 0.00 C ATOM 1291 O ARG A 80 30.424 -26.646 5.452 1.00 0.00 O ATOM 1292 CB ARG A 80 31.947 -24.515 6.976 1.00 0.00 C ATOM 1293 CG ARG A 80 33.430 -24.283 6.735 1.00 0.00 C ATOM 1294 CD ARG A 80 33.891 -22.963 7.331 1.00 0.00 C ATOM 1295 NE ARG A 80 35.256 -22.629 6.933 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.329 -23.277 7.373 1.00 0.00 C ATOM 1297 NH1 ARG A 80 36.196 -24.288 8.221 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.538 -22.915 6.964 1.00 0.00 N ATOM 0 H ARG A 80 29.634 -23.665 7.063 1.00 0.00 H new ATOM 0 HA ARG A 80 31.549 -23.611 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.598 -23.817 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.805 -25.519 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.003 -25.101 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.631 -24.290 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.216 -22.167 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.833 -23.016 8.418 1.00 0.00 H new ATOM 0 HE ARG A 80 35.393 -21.856 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 80 35.268 -24.570 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 80 37.022 -24.784 8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.644 -22.139 6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.361 -23.413 7.302 1.00 0.00 H new ATOM 1312 N VAL A 81 31.614 -25.717 3.783 1.00 0.00 N ATOM 1313 CA VAL A 81 31.615 -26.924 2.965 1.00 0.00 C ATOM 1314 C VAL A 81 33.037 -27.360 2.630 1.00 0.00 C ATOM 1315 O VAL A 81 33.894 -26.532 2.319 1.00 0.00 O ATOM 1316 CB VAL A 81 30.832 -26.715 1.655 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.936 -27.947 0.768 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.377 -26.383 1.952 1.00 0.00 C ATOM 0 H VAL A 81 32.106 -24.926 3.368 1.00 0.00 H new ATOM 0 HA VAL A 81 31.128 -27.703 3.551 1.00 0.00 H new ATOM 0 HB VAL A 81 31.271 -25.873 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.377 -27.781 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.982 -28.135 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.523 -28.809 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.838 -26.238 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.923 -27.203 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.326 -25.470 2.545 1.00 0.00 H new ATOM 1328 N ASP A 82 33.282 -28.664 2.695 1.00 0.00 N ATOM 1329 CA ASP A 82 34.600 -29.210 2.396 1.00 0.00 C ATOM 1330 C ASP A 82 34.634 -29.814 0.996 1.00 0.00 C ATOM 1331 O ASP A 82 35.369 -30.767 0.738 1.00 0.00 O ATOM 1332 CB ASP A 82 34.983 -30.270 3.431 1.00 0.00 C ATOM 1333 CG ASP A 82 35.387 -29.662 4.760 1.00 0.00 C ATOM 1334 OD1 ASP A 82 34.673 -28.757 5.241 1.00 0.00 O ATOM 1335 OD2 ASP A 82 36.417 -30.091 5.320 1.00 0.00 O ATOM 0 H ASP A 82 32.585 -29.363 2.952 1.00 0.00 H new ATOM 0 HA ASP A 82 35.322 -28.394 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 82 34.141 -30.945 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.806 -30.871 3.044 1.00 0.00 H new ATOM 1340 N ARG A 83 33.834 -29.253 0.096 1.00 0.00 N ATOM 1341 CA ARG A 83 33.771 -29.737 -1.278 1.00 0.00 C ATOM 1342 C ARG A 83 34.349 -28.708 -2.245 1.00 0.00 C ATOM 1343 O ARG A 83 34.720 -27.605 -1.843 1.00 0.00 O ATOM 1344 CB ARG A 83 32.325 -30.058 -1.662 1.00 0.00 C ATOM 1345 CG ARG A 83 31.959 -31.523 -1.488 1.00 0.00 C ATOM 1346 CD ARG A 83 30.517 -31.686 -1.033 1.00 0.00 C ATOM 1347 NE ARG A 83 29.672 -32.250 -2.083 1.00 0.00 N ATOM 1348 CZ ARG A 83 29.831 -33.473 -2.577 1.00 0.00 C ATOM 1349 NH1 ARG A 83 30.798 -34.256 -2.118 1.00 0.00 N ATOM 1350 NH2 ARG A 83 29.022 -33.914 -3.531 1.00 0.00 N ATOM 0 H ARG A 83 33.220 -28.463 0.293 1.00 0.00 H new ATOM 0 HA ARG A 83 34.368 -30.647 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.654 -29.450 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.162 -29.773 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.106 -32.050 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.626 -31.982 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.485 -32.332 -0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.121 -30.717 -0.730 1.00 0.00 H new ATOM 0 HE ARG A 83 28.919 -31.673 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 83 31.422 -33.920 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 83 30.918 -35.195 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 83 28.277 -33.314 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.145 -34.853 -3.910 1.00 0.00 H new ATOM 1364 N ARG A 84 34.422 -29.077 -3.519 1.00 0.00 N ATOM 1365 CA ARG A 84 34.957 -28.186 -4.543 1.00 0.00 C ATOM 1366 C ARG A 84 33.878 -27.236 -5.054 1.00 0.00 C ATOM 1367 O ARG A 84 32.843 -27.670 -5.561 1.00 0.00 O ATOM 1368 CB ARG A 84 35.529 -28.998 -5.706 1.00 0.00 C ATOM 1369 CG ARG A 84 36.158 -28.142 -6.794 1.00 0.00 C ATOM 1370 CD ARG A 84 37.597 -27.783 -6.457 1.00 0.00 C ATOM 1371 NE ARG A 84 37.982 -26.488 -7.013 1.00 0.00 N ATOM 1372 CZ ARG A 84 38.261 -26.293 -8.297 1.00 0.00 C ATOM 1373 NH1 ARG A 84 38.197 -27.303 -9.153 1.00 0.00 N ATOM 1374 NH2 ARG A 84 38.603 -25.085 -8.726 1.00 0.00 N ATOM 0 H ARG A 84 34.118 -29.986 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 84 35.755 -27.594 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.278 -29.690 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 84 34.733 -29.600 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 84 36.128 -28.677 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 84 35.575 -27.230 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.722 -27.764 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.263 -28.555 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 84 38.040 -25.690 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 84 37.933 -28.232 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 84 38.412 -27.151 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 84 38.652 -24.306 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 84 38.817 -24.936 -9.712 1.00 0.00 H new ATOM 1388 N LEU A 85 34.127 -25.938 -4.917 1.00 0.00 N ATOM 1389 CA LEU A 85 33.177 -24.925 -5.364 1.00 0.00 C ATOM 1390 C LEU A 85 31.749 -25.321 -5.002 1.00 0.00 C ATOM 1391 O LEU A 85 30.823 -25.135 -5.792 1.00 0.00 O ATOM 1392 CB LEU A 85 33.294 -24.720 -6.875 1.00 0.00 C ATOM 1393 CG LEU A 85 34.296 -23.659 -7.333 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.685 -23.971 -6.797 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.317 -23.565 -8.851 1.00 0.00 C ATOM 0 H LEU A 85 34.979 -25.562 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 85 33.415 -23.990 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.569 -25.671 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.311 -24.454 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 85 33.983 -22.694 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.385 -23.206 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.660 -23.987 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 85 36.007 -24.945 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.035 -22.805 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.605 -24.528 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.325 -23.294 -9.213 1.00 0.00 H new ATOM 1407 N VAL A 86 31.577 -25.865 -3.801 1.00 0.00 N ATOM 1408 CA VAL A 86 30.262 -26.283 -3.332 1.00 0.00 C ATOM 1409 C VAL A 86 29.889 -25.573 -2.036 1.00 0.00 C ATOM 1410 O VAL A 86 30.476 -25.831 -0.984 1.00 0.00 O ATOM 1411 CB VAL A 86 30.204 -27.805 -3.107 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.887 -28.199 -2.455 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.401 -28.546 -4.420 1.00 0.00 C ATOM 0 H VAL A 86 32.333 -26.026 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 86 29.548 -26.011 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 86 31.014 -28.086 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.864 -29.278 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.793 -27.696 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.059 -27.906 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.357 -29.620 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.615 -28.262 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.373 -28.288 -4.841 1.00 0.00 H new ATOM 1423 N TYR A 87 28.910 -24.679 -2.117 1.00 0.00 N ATOM 1424 CA TYR A 87 28.460 -23.930 -0.950 1.00 0.00 C ATOM 1425 C TYR A 87 27.025 -24.300 -0.586 1.00 0.00 C ATOM 1426 O TYR A 87 26.326 -24.959 -1.356 1.00 0.00 O ATOM 1427 CB TYR A 87 28.560 -22.427 -1.213 1.00 0.00 C ATOM 1428 CG TYR A 87 29.956 -21.965 -1.565 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.498 -22.218 -2.819 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.733 -21.275 -0.643 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.773 -21.799 -3.144 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.009 -20.850 -0.960 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.525 -21.115 -2.212 1.00 0.00 C ATOM 1434 OH TYR A 87 33.795 -20.695 -2.532 1.00 0.00 O ATOM 0 H TYR A 87 28.413 -24.455 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 87 29.107 -24.189 -0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.883 -22.163 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.221 -21.889 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.912 -22.752 -3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.333 -21.067 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.179 -22.006 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.599 -20.313 -0.232 1.00 0.00 H new ATOM 0 HH TYR A 87 34.188 -20.228 -1.765 1.00 0.00 H new ATOM 1444 N LYS A 88 26.591 -23.869 0.594 1.00 0.00 N ATOM 1445 CA LYS A 88 25.240 -24.151 1.062 1.00 0.00 C ATOM 1446 C LYS A 88 24.742 -23.044 1.986 1.00 0.00 C ATOM 1447 O LYS A 88 25.474 -22.571 2.855 1.00 0.00 O ATOM 1448 CB LYS A 88 25.202 -25.495 1.793 1.00 0.00 C ATOM 1449 CG LYS A 88 23.854 -25.809 2.419 1.00 0.00 C ATOM 1450 CD LYS A 88 24.009 -26.568 3.727 1.00 0.00 C ATOM 1451 CE LYS A 88 22.976 -27.677 3.853 1.00 0.00 C ATOM 1452 NZ LYS A 88 23.241 -28.549 5.031 1.00 0.00 N ATOM 0 H LYS A 88 27.156 -23.323 1.244 1.00 0.00 H new ATOM 0 HA LYS A 88 24.584 -24.198 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.461 -26.288 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 88 25.964 -25.497 2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.310 -24.881 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.258 -26.399 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.011 -26.994 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 88 23.907 -25.877 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.982 -27.239 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 88 22.979 -28.281 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.516 -29.293 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 24.179 -28.987 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 23.213 -27.977 5.899 1.00 0.00 H new ATOM 1466 N PHE A 89 23.492 -22.636 1.792 1.00 0.00 N ATOM 1467 CA PHE A 89 22.896 -21.584 2.608 1.00 0.00 C ATOM 1468 C PHE A 89 22.553 -22.105 4.000 1.00 0.00 C ATOM 1469 O PHE A 89 21.836 -23.094 4.146 1.00 0.00 O ATOM 1470 CB PHE A 89 21.638 -21.036 1.932 1.00 0.00 C ATOM 1471 CG PHE A 89 21.892 -20.461 0.568 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.388 -19.175 0.426 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.636 -21.206 -0.572 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.624 -18.642 -0.828 1.00 0.00 C ATOM 1475 CE2 PHE A 89 21.870 -20.679 -1.828 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.363 -19.395 -1.956 1.00 0.00 C ATOM 0 H PHE A 89 22.872 -23.018 1.077 1.00 0.00 H new ATOM 0 HA PHE A 89 23.625 -20.780 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.902 -21.836 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.201 -20.265 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.593 -18.582 1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.249 -22.210 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.012 -17.639 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.668 -21.271 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.544 -18.981 -2.937 1.00 0.00 H new ATOM 1486 N GLY A 90 23.071 -21.431 5.022 1.00 0.00 N ATOM 1487 CA GLY A 90 22.810 -21.840 6.390 1.00 0.00 C ATOM 1488 C GLY A 90 21.382 -21.559 6.816 1.00 0.00 C ATOM 1489 O GLY A 90 20.483 -21.469 5.980 1.00 0.00 O ATOM 0 H GLY A 90 23.667 -20.609 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.014 -22.906 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.495 -21.319 7.059 1.00 0.00 H new ATOM 1493 N LYS A 91 21.172 -21.423 8.121 1.00 0.00 N ATOM 1494 CA LYS A 91 19.844 -21.152 8.658 1.00 0.00 C ATOM 1495 C LYS A 91 19.583 -19.651 8.733 1.00 0.00 C ATOM 1496 O LYS A 91 18.435 -19.211 8.755 1.00 0.00 O ATOM 1497 CB LYS A 91 19.696 -21.776 10.048 1.00 0.00 C ATOM 1498 CG LYS A 91 20.623 -21.171 11.088 1.00 0.00 C ATOM 1499 CD LYS A 91 20.986 -22.180 12.165 1.00 0.00 C ATOM 1500 CE LYS A 91 22.297 -22.884 11.850 1.00 0.00 C ATOM 1501 NZ LYS A 91 22.367 -24.232 12.478 1.00 0.00 N ATOM 0 H LYS A 91 21.905 -21.496 8.826 1.00 0.00 H new ATOM 0 HA LYS A 91 19.110 -21.598 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.665 -21.660 10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.890 -22.846 9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.531 -20.812 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.143 -20.306 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.066 -21.674 13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.189 -22.918 12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.407 -22.980 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.130 -22.275 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 23.275 -24.679 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.287 -24.138 13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.587 -24.821 12.123 1.00 0.00 H new ATOM 1515 N ASN A 92 20.658 -18.869 8.772 1.00 0.00 N ATOM 1516 CA ASN A 92 20.545 -17.417 8.843 1.00 0.00 C ATOM 1517 C ASN A 92 19.899 -16.859 7.579 1.00 0.00 C ATOM 1518 O ASN A 92 19.155 -15.879 7.630 1.00 0.00 O ATOM 1519 CB ASN A 92 21.924 -16.786 9.046 1.00 0.00 C ATOM 1520 CG ASN A 92 22.157 -16.354 10.481 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.540 -15.214 10.743 1.00 0.00 O ATOM 1522 ND2 ASN A 92 21.926 -17.266 11.418 1.00 0.00 N ATOM 0 H ASN A 92 21.617 -19.217 8.756 1.00 0.00 H new ATOM 0 HA ASN A 92 19.911 -17.168 9.694 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.694 -17.501 8.755 1.00 0.00 H new ATOM 0 HB3 ASN A 92 22.026 -15.923 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.065 -17.033 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.609 -18.199 11.154 1.00 0.00 H new ATOM 1529 N ALA A 93 20.188 -17.489 6.446 1.00 0.00 N ATOM 1530 CA ALA A 93 19.634 -17.058 5.168 1.00 0.00 C ATOM 1531 C ALA A 93 18.160 -17.432 5.055 1.00 0.00 C ATOM 1532 O ALA A 93 17.666 -18.283 5.795 1.00 0.00 O ATOM 1533 CB ALA A 93 20.424 -17.664 4.018 1.00 0.00 C ATOM 0 H ALA A 93 20.803 -18.300 6.386 1.00 0.00 H new ATOM 0 HA ALA A 93 19.712 -15.972 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.999 -17.333 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.463 -17.342 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.377 -18.751 4.077 1.00 0.00 H new ATOM 1539 N HIS A 94 17.461 -16.790 4.124 1.00 0.00 N ATOM 1540 CA HIS A 94 16.042 -17.057 3.914 1.00 0.00 C ATOM 1541 C HIS A 94 15.674 -16.908 2.441 1.00 0.00 C ATOM 1542 O HIS A 94 16.519 -16.581 1.609 1.00 0.00 O ATOM 1543 CB HIS A 94 15.193 -16.109 4.762 1.00 0.00 C ATOM 1544 CG HIS A 94 15.462 -14.661 4.492 1.00 0.00 C ATOM 1545 ND1 HIS A 94 14.546 -13.825 3.889 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.551 -13.900 4.749 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.061 -12.613 3.785 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.277 -12.631 4.300 1.00 0.00 N ATOM 0 H HIS A 94 17.853 -16.082 3.504 1.00 0.00 H new ATOM 0 HA HIS A 94 15.841 -18.084 4.219 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.139 -16.315 4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.378 -16.314 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.466 -14.229 5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.571 -11.753 3.352 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.910 -11.833 4.355 1.00 0.00 H new ATOM 1556 N GLY A 95 14.406 -17.153 2.125 1.00 0.00 N ATOM 1557 CA GLY A 95 13.948 -17.043 0.752 1.00 0.00 C ATOM 1558 C GLY A 95 13.991 -18.369 0.018 1.00 0.00 C ATOM 1559 O GLY A 95 13.128 -18.654 -0.812 1.00 0.00 O ATOM 0 H GLY A 95 13.687 -17.426 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.928 -16.659 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.567 -16.318 0.223 1.00 0.00 H new ATOM 1563 N TRP A 96 14.998 -19.179 0.323 1.00 0.00 N ATOM 1564 CA TRP A 96 15.151 -20.482 -0.315 1.00 0.00 C ATOM 1565 C TRP A 96 14.381 -21.555 0.446 1.00 0.00 C ATOM 1566 O TRP A 96 13.733 -22.410 -0.156 1.00 0.00 O ATOM 1567 CB TRP A 96 16.630 -20.861 -0.400 1.00 0.00 C ATOM 1568 CG TRP A 96 17.247 -21.149 0.935 1.00 0.00 C ATOM 1569 CD1 TRP A 96 17.701 -20.235 1.842 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.479 -22.439 1.511 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.201 -20.879 2.948 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.076 -22.231 2.770 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.238 -23.748 1.088 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.436 -23.285 3.606 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.596 -24.793 1.918 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.189 -24.557 3.166 1.00 0.00 C ATOM 0 H TRP A 96 15.721 -18.957 1.008 1.00 0.00 H new ATOM 0 HA TRP A 96 14.742 -20.415 -1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.737 -21.738 -1.038 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.179 -20.050 -0.878 1.00 0.00 H new ATOM 0 HD1 TRP A 96 17.671 -19.164 1.710 1.00 0.00 H new ATOM 0 HE1 TRP A 96 18.601 -20.424 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.780 -23.940 0.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 18.894 -23.105 4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.416 -25.809 1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.456 -25.395 3.792 1.00 0.00 H new ATOM 1587 N GLN A 97 14.457 -21.503 1.772 1.00 0.00 N ATOM 1588 CA GLN A 97 13.767 -22.472 2.615 1.00 0.00 C ATOM 1589 C GLN A 97 12.324 -22.661 2.158 1.00 0.00 C ATOM 1590 O GLN A 97 11.755 -21.795 1.495 1.00 0.00 O ATOM 1591 CB GLN A 97 13.797 -22.022 4.076 1.00 0.00 C ATOM 1592 CG GLN A 97 14.725 -22.850 4.950 1.00 0.00 C ATOM 1593 CD GLN A 97 15.035 -22.179 6.273 1.00 0.00 C ATOM 1594 OE1 GLN A 97 14.711 -22.704 7.339 1.00 0.00 O ATOM 1595 NE2 GLN A 97 15.665 -21.012 6.213 1.00 0.00 N ATOM 0 H GLN A 97 14.989 -20.800 2.285 1.00 0.00 H new ATOM 0 HA GLN A 97 14.285 -23.427 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.107 -20.978 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.787 -22.072 4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.269 -23.822 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.656 -23.033 4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.915 -20.613 5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.899 -20.514 7.072 1.00 0.00 H new