USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 742 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 89 ASN : amide:sc= -0.651 X(o=-1.1,f=-0.79) USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= -0.418 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.057 F(o=-0.63,f=-0.057) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 34 ASN : amide:sc= -0.962! C(o=-0.96!,f=-1.4!) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.129 (180deg=-1.14) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.21) USER MOD Single : A 46 GLN : amide:sc=-0.00812 K(o=-0.0081,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.088) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00501 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0.33 (180deg=0.322) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=0.0013) USER MOD Single : A 69 THR OG1 : rot -22:sc= 0.145 USER MOD Single : A 71 MET CE :methyl -111:sc= -2.49 (180deg=-7.47!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -4.25 K(o=-4.3,f=-8.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 179:sc= -0.0103 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -6.93! C(o=-6.9!,f=-8.2!) USER MOD Single : A 96 MET CE :methyl -125:sc= -2.17 (180deg=-9.13!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0396) USER MOD ----------------------------------------------------------------- ATOM 137 N MET A 13 -13.125 14.987 3.480 1.00 0.00 N ATOM 138 CA MET A 13 -13.905 15.006 2.248 1.00 0.00 C ATOM 139 C MET A 13 -14.550 13.648 1.992 1.00 0.00 C ATOM 140 O MET A 13 -14.161 12.630 2.567 1.00 0.00 O ATOM 141 CB MET A 13 -13.017 15.393 1.064 1.00 0.00 C ATOM 142 CG MET A 13 -13.028 16.882 0.758 1.00 0.00 C ATOM 143 SD MET A 13 -11.765 17.788 1.671 1.00 0.00 S ATOM 144 CE MET A 13 -12.713 19.188 2.262 1.00 0.00 C ATOM 0 HA MET A 13 -14.695 15.748 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.993 15.080 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.345 14.846 0.180 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.875 17.030 -0.311 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.009 17.291 0.999 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.068 19.844 2.847 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.116 19.739 1.412 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.533 18.834 2.887 1.00 0.00 H new ATOM 154 N PRO A 14 -15.560 13.628 1.110 1.00 0.00 N ATOM 155 CA PRO A 14 -16.280 12.401 0.758 1.00 0.00 C ATOM 156 C PRO A 14 -15.422 11.438 -0.055 1.00 0.00 C ATOM 157 O PRO A 14 -14.199 11.565 -0.094 1.00 0.00 O ATOM 158 CB PRO A 14 -17.456 12.907 -0.080 1.00 0.00 C ATOM 159 CG PRO A 14 -16.987 14.202 -0.648 1.00 0.00 C ATOM 160 CD PRO A 14 -16.077 14.803 0.388 1.00 0.00 C ATOM 0 HA PRO A 14 -16.580 11.837 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.714 12.199 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.348 13.043 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.459 14.047 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.828 14.863 -0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.273 15.380 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.615 15.478 1.053 1.00 0.00 H new ATOM 168 N GLU A 15 -16.072 10.476 -0.703 1.00 0.00 N ATOM 169 CA GLU A 15 -15.366 9.492 -1.515 1.00 0.00 C ATOM 170 C GLU A 15 -15.665 9.694 -2.998 1.00 0.00 C ATOM 171 O GLU A 15 -14.786 9.540 -3.845 1.00 0.00 O ATOM 172 CB GLU A 15 -15.758 8.074 -1.094 1.00 0.00 C ATOM 173 CG GLU A 15 -14.859 6.996 -1.674 1.00 0.00 C ATOM 174 CD GLU A 15 -15.299 5.598 -1.285 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.205 5.257 -0.088 1.00 0.00 O ATOM 176 OE2 GLU A 15 -15.738 4.844 -2.180 1.00 0.00 O ATOM 0 H GLU A 15 -17.085 10.357 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.296 9.628 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.735 8.008 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.786 7.883 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.851 7.081 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.836 7.159 -1.334 1.00 0.00 H new ATOM 183 N GLU A 16 -16.912 10.040 -3.302 1.00 0.00 N ATOM 184 CA GLU A 16 -17.327 10.263 -4.682 1.00 0.00 C ATOM 185 C GLU A 16 -16.861 11.629 -5.177 1.00 0.00 C ATOM 186 O GLU A 16 -16.137 11.727 -6.167 1.00 0.00 O ATOM 187 CB GLU A 16 -18.849 10.156 -4.803 1.00 0.00 C ATOM 188 CG GLU A 16 -19.401 10.760 -6.084 1.00 0.00 C ATOM 189 CD GLU A 16 -20.667 10.071 -6.556 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.606 9.936 -5.744 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.718 9.666 -7.736 1.00 0.00 O ATOM 0 H GLU A 16 -17.652 10.172 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.865 9.495 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.136 9.106 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.309 10.653 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.606 11.818 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.644 10.697 -6.866 1.00 0.00 H new ATOM 198 N GLU A 17 -17.283 12.680 -4.481 1.00 0.00 N ATOM 199 CA GLU A 17 -16.910 14.040 -4.850 1.00 0.00 C ATOM 200 C GLU A 17 -15.409 14.257 -4.684 1.00 0.00 C ATOM 201 O GLU A 17 -14.779 14.952 -5.481 1.00 0.00 O ATOM 202 CB GLU A 17 -17.680 15.053 -4.000 1.00 0.00 C ATOM 203 CG GLU A 17 -17.105 16.458 -4.057 1.00 0.00 C ATOM 204 CD GLU A 17 -18.065 17.503 -3.523 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.744 17.225 -2.513 1.00 0.00 O ATOM 206 OE2 GLU A 17 -18.135 18.601 -4.115 1.00 0.00 O ATOM 0 H GLU A 17 -17.883 12.615 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.167 14.187 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.717 15.080 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.687 14.714 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.180 16.492 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.848 16.700 -5.088 1.00 0.00 H new ATOM 213 N PHE A 18 -14.842 13.657 -3.642 1.00 0.00 N ATOM 214 CA PHE A 18 -13.416 13.785 -3.369 1.00 0.00 C ATOM 215 C PHE A 18 -12.596 13.549 -4.635 1.00 0.00 C ATOM 216 O PHE A 18 -11.851 14.424 -5.078 1.00 0.00 O ATOM 217 CB PHE A 18 -12.992 12.795 -2.282 1.00 0.00 C ATOM 218 CG PHE A 18 -11.508 12.574 -2.219 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.676 13.526 -1.653 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.944 11.413 -2.724 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.309 13.326 -1.594 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.579 11.207 -2.668 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.761 12.164 -2.100 1.00 0.00 C ATOM 0 H PHE A 18 -15.349 13.077 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.229 14.800 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.338 13.159 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.486 11.840 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.100 14.435 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.579 10.660 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.671 14.077 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.152 10.299 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.694 12.004 -2.052 1.00 0.00 H new ATOM 233 N LEU A 19 -12.740 12.362 -5.212 1.00 0.00 N ATOM 234 CA LEU A 19 -12.013 12.009 -6.427 1.00 0.00 C ATOM 235 C LEU A 19 -12.107 13.126 -7.461 1.00 0.00 C ATOM 236 O LEU A 19 -11.123 13.456 -8.124 1.00 0.00 O ATOM 237 CB LEU A 19 -12.563 10.708 -7.014 1.00 0.00 C ATOM 238 CG LEU A 19 -12.617 9.512 -6.063 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.519 8.424 -6.624 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.218 8.970 -5.809 1.00 0.00 C ATOM 0 H LEU A 19 -13.353 11.627 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.964 11.868 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.570 10.898 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.953 10.435 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.034 9.846 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.545 7.581 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.527 8.818 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.133 8.092 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.275 8.119 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.774 8.652 -6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.601 9.750 -5.362 1.00 0.00 H new ATOM 252 N ARG A 20 -13.295 13.707 -7.592 1.00 0.00 N ATOM 253 CA ARG A 20 -13.517 14.788 -8.545 1.00 0.00 C ATOM 254 C ARG A 20 -12.625 15.984 -8.226 1.00 0.00 C ATOM 255 O ARG A 20 -12.159 16.681 -9.128 1.00 0.00 O ATOM 256 CB ARG A 20 -14.986 15.215 -8.530 1.00 0.00 C ATOM 257 CG ARG A 20 -15.948 14.103 -8.913 1.00 0.00 C ATOM 258 CD ARG A 20 -17.196 14.652 -9.586 1.00 0.00 C ATOM 259 NE ARG A 20 -18.165 15.153 -8.615 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.254 15.836 -8.949 1.00 0.00 C ATOM 261 NH1 ARG A 20 -19.511 16.099 -10.223 1.00 0.00 N ATOM 262 NH2 ARG A 20 -20.089 16.258 -8.008 1.00 0.00 N ATOM 0 H ARG A 20 -14.119 13.447 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.262 14.421 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.240 15.576 -7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.119 16.051 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.449 13.404 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.231 13.542 -8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.917 15.456 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.657 13.869 -10.188 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.996 14.968 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.872 15.777 -10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.348 16.624 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.895 16.058 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.925 16.782 -8.266 1.00 0.00 H new ATOM 276 N ARG A 21 -12.392 16.216 -6.939 1.00 0.00 N ATOM 277 CA ARG A 21 -11.557 17.329 -6.502 1.00 0.00 C ATOM 278 C ARG A 21 -10.079 16.955 -6.557 1.00 0.00 C ATOM 279 O ARG A 21 -9.305 17.554 -7.302 1.00 0.00 O ATOM 280 CB ARG A 21 -11.935 17.750 -5.080 1.00 0.00 C ATOM 281 CG ARG A 21 -13.178 18.621 -5.012 1.00 0.00 C ATOM 282 CD ARG A 21 -12.830 20.097 -5.113 1.00 0.00 C ATOM 283 NE ARG A 21 -12.728 20.543 -6.500 1.00 0.00 N ATOM 284 CZ ARG A 21 -12.601 21.816 -6.855 1.00 0.00 C ATOM 285 NH1 ARG A 21 -12.560 22.765 -5.930 1.00 0.00 N ATOM 286 NH2 ARG A 21 -12.513 22.143 -8.138 1.00 0.00 N ATOM 0 H ARG A 21 -12.769 15.648 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.727 18.166 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.094 16.857 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.099 18.290 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.858 18.350 -5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.704 18.433 -4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.591 20.684 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.885 20.282 -4.603 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.756 19.838 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.626 22.518 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.462 23.742 -6.206 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.543 21.416 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.415 23.121 -8.409 1.00 0.00 H new ATOM 300 N ASN A 22 -9.696 15.960 -5.764 1.00 0.00 N ATOM 301 CA ASN A 22 -8.310 15.506 -5.722 1.00 0.00 C ATOM 302 C ASN A 22 -8.156 14.164 -6.431 1.00 0.00 C ATOM 303 O ASN A 22 -8.384 13.108 -5.842 1.00 0.00 O ATOM 304 CB ASN A 22 -7.834 15.388 -4.273 1.00 0.00 C ATOM 305 CG ASN A 22 -8.220 16.593 -3.437 1.00 0.00 C ATOM 306 OD1 ASN A 22 -9.482 16.648 -3.027 1.00 0.00 O flip ATOM 307 ND2 ASN A 22 -7.394 17.463 -3.164 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.325 15.453 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.696 16.243 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.258 14.489 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.750 15.271 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.435 17.379 -3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.668 18.268 -2.601 1.00 0.00 H new ATOM 314 N LYS A 23 -7.765 14.213 -7.700 1.00 0.00 N ATOM 315 CA LYS A 23 -7.577 13.003 -8.491 1.00 0.00 C ATOM 316 C LYS A 23 -6.167 12.451 -8.314 1.00 0.00 C ATOM 317 O LYS A 23 -5.964 11.237 -8.284 1.00 0.00 O ATOM 318 CB LYS A 23 -7.842 13.289 -9.971 1.00 0.00 C ATOM 319 CG LYS A 23 -9.309 13.520 -10.293 1.00 0.00 C ATOM 320 CD LYS A 23 -9.537 13.649 -11.790 1.00 0.00 C ATOM 321 CE LYS A 23 -11.019 13.622 -12.131 1.00 0.00 C ATOM 322 NZ LYS A 23 -11.567 12.238 -12.113 1.00 0.00 N ATOM 0 H LYS A 23 -7.572 15.079 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.288 12.255 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.270 14.167 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.476 12.452 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.903 12.693 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.655 14.424 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.097 14.580 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.028 12.836 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.567 14.239 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.173 14.061 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.579 12.262 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.062 11.655 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.443 11.828 -11.165 1.00 0.00 H new ATOM 336 N GLY A 24 -5.194 13.350 -8.196 1.00 0.00 N ATOM 337 CA GLY A 24 -3.815 12.932 -8.022 1.00 0.00 C ATOM 338 C GLY A 24 -2.967 13.208 -9.248 1.00 0.00 C ATOM 339 O GLY A 24 -3.248 14.113 -10.033 1.00 0.00 O ATOM 0 H GLY A 24 -5.336 14.360 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.387 13.450 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.787 11.866 -7.797 1.00 0.00 H new ATOM 343 N PRO A 25 -1.900 12.414 -9.424 1.00 0.00 N ATOM 344 CA PRO A 25 -1.556 11.333 -8.496 1.00 0.00 C ATOM 345 C PRO A 25 -1.065 11.858 -7.151 1.00 0.00 C ATOM 346 O PRO A 25 -0.814 13.053 -6.994 1.00 0.00 O ATOM 347 CB PRO A 25 -0.432 10.587 -9.221 1.00 0.00 C ATOM 348 CG PRO A 25 0.176 11.604 -10.124 1.00 0.00 C ATOM 349 CD PRO A 25 -0.948 12.511 -10.544 1.00 0.00 C ATOM 0 HA PRO A 25 -2.418 10.709 -8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.301 10.194 -8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.819 9.738 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.958 12.164 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.639 11.130 -10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.604 13.535 -10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.397 12.187 -11.483 1.00 0.00 H new ATOM 357 N VAL A 26 -0.929 10.957 -6.183 1.00 0.00 N ATOM 358 CA VAL A 26 -0.467 11.330 -4.852 1.00 0.00 C ATOM 359 C VAL A 26 0.804 10.574 -4.480 1.00 0.00 C ATOM 360 O VAL A 26 0.893 9.360 -4.662 1.00 0.00 O ATOM 361 CB VAL A 26 -1.544 11.055 -3.786 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.741 11.972 -3.988 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.969 9.594 -3.822 1.00 0.00 C ATOM 0 H VAL A 26 -1.132 9.964 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.257 12.399 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.119 11.262 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.492 11.763 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.421 13.011 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.169 11.800 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.730 9.418 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.376 9.358 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.105 8.959 -3.624 1.00 0.00 H new ATOM 373 N SER A 27 1.787 11.301 -3.958 1.00 0.00 N ATOM 374 CA SER A 27 3.055 10.700 -3.563 1.00 0.00 C ATOM 375 C SER A 27 3.179 10.641 -2.043 1.00 0.00 C ATOM 376 O SER A 27 3.221 11.673 -1.373 1.00 0.00 O ATOM 377 CB SER A 27 4.224 11.494 -4.150 1.00 0.00 C ATOM 378 OG SER A 27 5.457 11.076 -3.590 1.00 0.00 O ATOM 0 H SER A 27 1.729 12.307 -3.799 1.00 0.00 H new ATOM 0 HA SER A 27 3.083 9.682 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.250 11.363 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.077 12.557 -3.961 1.00 0.00 H new ATOM 0 HG SER A 27 6.188 11.597 -3.983 1.00 0.00 H new ATOM 384 N ILE A 28 3.236 9.426 -1.508 1.00 0.00 N ATOM 385 CA ILE A 28 3.355 9.231 -0.068 1.00 0.00 C ATOM 386 C ILE A 28 4.759 8.773 0.309 1.00 0.00 C ATOM 387 O ILE A 28 5.403 8.029 -0.432 1.00 0.00 O ATOM 388 CB ILE A 28 2.334 8.199 0.447 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.728 6.791 -0.004 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.937 8.547 -0.043 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.666 6.090 0.953 1.00 0.00 C ATOM 0 H ILE A 28 3.202 8.562 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 28 3.152 10.194 0.399 1.00 0.00 H new ATOM 0 HB ILE A 28 2.332 8.224 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.826 6.190 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.201 6.851 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.227 7.809 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.659 9.535 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.923 8.547 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.902 5.098 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.584 6.669 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.188 5.998 1.928 1.00 0.00 H new ATOM 403 N LYS A 29 5.229 9.219 1.469 1.00 0.00 N ATOM 404 CA LYS A 29 6.557 8.853 1.949 1.00 0.00 C ATOM 405 C LYS A 29 6.463 7.855 3.099 1.00 0.00 C ATOM 406 O LYS A 29 5.841 8.131 4.125 1.00 0.00 O ATOM 407 CB LYS A 29 7.319 10.099 2.403 1.00 0.00 C ATOM 408 CG LYS A 29 8.829 9.955 2.315 1.00 0.00 C ATOM 409 CD LYS A 29 9.538 10.968 3.198 1.00 0.00 C ATOM 410 CE LYS A 29 9.711 12.302 2.488 1.00 0.00 C ATOM 411 NZ LYS A 29 10.522 13.257 3.292 1.00 0.00 N ATOM 0 H LYS A 29 4.710 9.835 2.095 1.00 0.00 H new ATOM 0 HA LYS A 29 7.097 8.384 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.007 10.947 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.044 10.328 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.117 8.947 2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.148 10.086 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.968 11.114 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.514 10.579 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.192 12.140 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.732 12.736 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.617 14.154 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.051 13.431 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.466 12.854 3.462 1.00 0.00 H new ATOM 425 N VAL A 30 7.086 6.694 2.921 1.00 0.00 N ATOM 426 CA VAL A 30 7.075 5.656 3.945 1.00 0.00 C ATOM 427 C VAL A 30 8.350 5.694 4.780 1.00 0.00 C ATOM 428 O VAL A 30 9.425 5.328 4.307 1.00 0.00 O ATOM 429 CB VAL A 30 6.925 4.255 3.322 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.005 3.181 4.396 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.618 4.152 2.551 1.00 0.00 C ATOM 0 H VAL A 30 7.604 6.449 2.077 1.00 0.00 H new ATOM 0 HA VAL A 30 6.217 5.854 4.587 1.00 0.00 H new ATOM 0 HB VAL A 30 7.746 4.098 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.897 2.198 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.969 3.242 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.206 3.332 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.529 3.156 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.782 4.330 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.606 4.896 1.755 1.00 0.00 H new ATOM 441 N GLN A 31 8.220 6.140 6.026 1.00 0.00 N ATOM 442 CA GLN A 31 9.363 6.226 6.928 1.00 0.00 C ATOM 443 C GLN A 31 9.748 4.847 7.453 1.00 0.00 C ATOM 444 O GLN A 31 9.027 4.253 8.254 1.00 0.00 O ATOM 445 CB GLN A 31 9.046 7.160 8.098 1.00 0.00 C ATOM 446 CG GLN A 31 10.280 7.790 8.724 1.00 0.00 C ATOM 447 CD GLN A 31 11.075 8.622 7.738 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.535 9.511 7.080 1.00 0.00 O ATOM 449 NE2 GLN A 31 12.368 8.337 7.630 1.00 0.00 N ATOM 0 H GLN A 31 7.336 6.447 6.433 1.00 0.00 H new ATOM 0 HA GLN A 31 10.207 6.629 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.381 7.951 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.506 6.601 8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.977 8.418 9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.919 7.005 9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.775 7.592 8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.954 8.864 6.982 1.00 0.00 H new ATOM 458 N VAL A 32 10.889 4.343 6.995 1.00 0.00 N ATOM 459 CA VAL A 32 11.371 3.033 7.418 1.00 0.00 C ATOM 460 C VAL A 32 12.334 3.156 8.594 1.00 0.00 C ATOM 461 O VAL A 32 13.454 3.649 8.462 1.00 0.00 O ATOM 462 CB VAL A 32 12.077 2.295 6.265 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.366 0.853 6.652 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.237 2.359 4.999 1.00 0.00 C ATOM 0 H VAL A 32 11.497 4.822 6.331 1.00 0.00 H new ATOM 0 HA VAL A 32 10.497 2.458 7.726 1.00 0.00 H new ATOM 0 HB VAL A 32 13.028 2.790 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.865 0.347 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.011 0.834 7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.430 0.342 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.751 1.833 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.270 1.890 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.087 3.400 4.714 1.00 0.00 H new ATOM 474 N PRO A 33 11.889 2.697 9.773 1.00 0.00 N ATOM 475 CA PRO A 33 12.696 2.743 10.996 1.00 0.00 C ATOM 476 C PRO A 33 13.872 1.774 10.951 1.00 0.00 C ATOM 477 O PRO A 33 13.977 0.952 10.041 1.00 0.00 O ATOM 478 CB PRO A 33 11.707 2.333 12.090 1.00 0.00 C ATOM 479 CG PRO A 33 10.681 1.515 11.385 1.00 0.00 C ATOM 480 CD PRO A 33 10.564 2.097 10.003 1.00 0.00 C ATOM 0 HA PRO A 33 13.143 3.725 11.153 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.200 1.759 12.875 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.259 3.205 12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.979 0.467 11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.725 1.554 11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.336 1.331 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.770 2.842 9.946 1.00 0.00 H new ATOM 488 N ASN A 34 14.755 1.875 11.940 1.00 0.00 N ATOM 489 CA ASN A 34 15.924 1.007 12.012 1.00 0.00 C ATOM 490 C ASN A 34 15.726 -0.085 13.059 1.00 0.00 C ATOM 491 O ASN A 34 15.592 0.199 14.249 1.00 0.00 O ATOM 492 CB ASN A 34 17.174 1.825 12.343 1.00 0.00 C ATOM 493 CG ASN A 34 17.420 1.927 13.836 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.084 1.074 14.426 1.00 0.00 O ATOM 495 ND2 ASN A 34 16.885 2.973 14.454 1.00 0.00 N ATOM 0 H ASN A 34 14.683 2.549 12.702 1.00 0.00 H new ATOM 0 HA ASN A 34 16.055 0.534 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 34 18.041 1.368 11.865 1.00 0.00 H new ATOM 0 HB3 ASN A 34 17.071 2.826 11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 34 17.017 3.094 15.458 1.00 0.00 H new ATOM 0 HD22 ASN A 34 16.342 3.655 13.925 1.00 0.00 H new ATOM 502 N MET A 35 15.711 -1.335 12.607 1.00 0.00 N ATOM 503 CA MET A 35 15.532 -2.470 13.505 1.00 0.00 C ATOM 504 C MET A 35 16.842 -3.229 13.691 1.00 0.00 C ATOM 505 O MET A 35 17.286 -3.945 12.794 1.00 0.00 O ATOM 506 CB MET A 35 14.455 -3.412 12.963 1.00 0.00 C ATOM 507 CG MET A 35 13.042 -3.009 13.352 1.00 0.00 C ATOM 508 SD MET A 35 12.680 -1.286 12.963 1.00 0.00 S ATOM 509 CE MET A 35 12.084 -0.700 14.547 1.00 0.00 C ATOM 0 H MET A 35 15.821 -1.587 11.625 1.00 0.00 H new ATOM 0 HA MET A 35 15.214 -2.087 14.475 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.528 -3.446 11.876 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.650 -4.421 13.327 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.330 -3.652 12.835 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.902 -3.173 14.420 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.333 0.074 14.389 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.641 -1.529 15.098 1.00 0.00 H new ATOM 0 HE3 MET A 35 12.915 -0.287 15.119 1.00 0.00 H new ATOM 584 N GLU A 40 14.392 -10.065 10.365 1.00 0.00 N ATOM 585 CA GLU A 40 14.499 -10.534 8.989 1.00 0.00 C ATOM 586 C GLU A 40 13.822 -9.561 8.028 1.00 0.00 C ATOM 587 O GLU A 40 13.371 -9.949 6.951 1.00 0.00 O ATOM 588 CB GLU A 40 13.873 -11.923 8.849 1.00 0.00 C ATOM 589 CG GLU A 40 12.405 -11.971 9.239 1.00 0.00 C ATOM 590 CD GLU A 40 12.203 -12.168 10.729 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.990 -12.920 11.341 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.257 -11.569 11.282 1.00 0.00 O ATOM 0 HA GLU A 40 15.557 -10.593 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.977 -12.257 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.428 -12.627 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.920 -11.045 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.916 -12.782 8.700 1.00 0.00 H new ATOM 599 N TRP A 41 13.755 -8.296 8.427 1.00 0.00 N ATOM 600 CA TRP A 41 13.133 -7.266 7.603 1.00 0.00 C ATOM 601 C TRP A 41 14.154 -6.216 7.180 1.00 0.00 C ATOM 602 O TRP A 41 15.050 -5.863 7.947 1.00 0.00 O ATOM 603 CB TRP A 41 11.984 -6.601 8.362 1.00 0.00 C ATOM 604 CG TRP A 41 10.944 -7.572 8.836 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.589 -8.748 8.239 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.126 -7.449 10.004 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.598 -9.363 8.967 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.297 -8.586 10.054 1.00 0.00 C ATOM 609 CE3 TRP A 41 10.014 -6.489 11.014 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.370 -8.787 11.073 1.00 0.00 C ATOM 611 CZ3 TRP A 41 9.093 -6.690 12.024 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.281 -7.832 12.049 1.00 0.00 C ATOM 0 H TRP A 41 14.124 -7.959 9.316 1.00 0.00 H new ATOM 0 HA TRP A 41 12.738 -7.744 6.706 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.388 -6.064 9.220 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.512 -5.861 7.716 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.023 -9.137 7.330 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.158 -10.254 8.735 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.636 -5.606 11.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.743 -9.666 11.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.997 -5.954 12.808 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.572 -7.961 12.853 1.00 0.00 H new ATOM 623 N LYS A 42 14.014 -5.720 5.956 1.00 0.00 N ATOM 624 CA LYS A 42 14.924 -4.708 5.431 1.00 0.00 C ATOM 625 C LYS A 42 14.621 -3.340 6.032 1.00 0.00 C ATOM 626 O LYS A 42 14.082 -2.460 5.359 1.00 0.00 O ATOM 627 CB LYS A 42 14.819 -4.641 3.905 1.00 0.00 C ATOM 628 CG LYS A 42 15.298 -5.902 3.207 1.00 0.00 C ATOM 629 CD LYS A 42 15.447 -5.689 1.710 1.00 0.00 C ATOM 630 CE LYS A 42 15.603 -7.009 0.971 1.00 0.00 C ATOM 631 NZ LYS A 42 15.564 -6.826 -0.506 1.00 0.00 N ATOM 0 H LYS A 42 13.279 -6.002 5.308 1.00 0.00 H new ATOM 0 HA LYS A 42 15.940 -4.990 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.781 -4.454 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.402 -3.793 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.255 -6.211 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.592 -6.712 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.575 -5.158 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.314 -5.058 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.547 -7.474 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.808 -7.691 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.674 -7.749 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.653 -6.405 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.338 -6.196 -0.798 1.00 0.00 H new ATOM 645 N LEU A 43 14.970 -3.166 7.302 1.00 0.00 N ATOM 646 CA LEU A 43 14.737 -1.903 7.994 1.00 0.00 C ATOM 647 C LEU A 43 16.045 -1.324 8.526 1.00 0.00 C ATOM 648 O LEU A 43 16.520 -1.717 9.590 1.00 0.00 O ATOM 649 CB LEU A 43 13.749 -2.104 9.144 1.00 0.00 C ATOM 650 CG LEU A 43 12.448 -2.825 8.793 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.778 -3.360 10.049 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.508 -1.894 8.040 1.00 0.00 C ATOM 0 H LEU A 43 15.415 -3.884 7.874 1.00 0.00 H new ATOM 0 HA LEU A 43 14.314 -1.198 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.250 -2.665 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.499 -1.127 9.557 1.00 0.00 H new ATOM 0 HG LEU A 43 12.687 -3.669 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.853 -3.870 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.447 -4.061 10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.553 -2.533 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.587 -2.424 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.276 -1.030 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.987 -1.560 7.119 1.00 0.00 H new ATOM 664 N ASN A 44 16.619 -0.387 7.778 1.00 0.00 N ATOM 665 CA ASN A 44 17.870 0.247 8.176 1.00 0.00 C ATOM 666 C ASN A 44 17.798 1.759 7.988 1.00 0.00 C ATOM 667 O ASN A 44 18.440 2.316 7.099 1.00 0.00 O ATOM 668 CB ASN A 44 19.036 -0.324 7.365 1.00 0.00 C ATOM 669 CG ASN A 44 19.188 -1.821 7.547 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.456 -2.609 6.948 1.00 0.00 O ATOM 671 ND2 ASN A 44 20.143 -2.222 8.378 1.00 0.00 N ATOM 0 H ASN A 44 16.238 -0.050 6.894 1.00 0.00 H new ATOM 0 HA ASN A 44 18.034 0.038 9.233 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.883 -0.103 6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.960 0.171 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.293 -3.218 8.540 1.00 0.00 H new ATOM 0 HD22 ASN A 44 20.727 -1.534 8.854 1.00 0.00 H new ATOM 678 N GLY A 45 17.010 2.418 8.833 1.00 0.00 N ATOM 679 CA GLY A 45 16.868 3.860 8.743 1.00 0.00 C ATOM 680 C GLY A 45 16.886 4.356 7.311 1.00 0.00 C ATOM 681 O GLY A 45 17.932 4.757 6.801 1.00 0.00 O ATOM 0 H GLY A 45 16.468 1.979 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.933 4.160 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.675 4.337 9.300 1.00 0.00 H new ATOM 685 N GLN A 46 15.727 4.329 6.662 1.00 0.00 N ATOM 686 CA GLN A 46 15.615 4.778 5.279 1.00 0.00 C ATOM 687 C GLN A 46 14.211 5.298 4.987 1.00 0.00 C ATOM 688 O GLN A 46 13.346 5.304 5.862 1.00 0.00 O ATOM 689 CB GLN A 46 15.959 3.637 4.321 1.00 0.00 C ATOM 690 CG GLN A 46 14.896 2.551 4.261 1.00 0.00 C ATOM 691 CD GLN A 46 15.073 1.627 3.073 1.00 0.00 C ATOM 692 OE1 GLN A 46 15.525 2.046 2.007 1.00 0.00 O ATOM 693 NE2 GLN A 46 14.716 0.360 3.250 1.00 0.00 N ATOM 0 H GLN A 46 14.852 4.001 7.071 1.00 0.00 H new ATOM 0 HA GLN A 46 16.323 5.594 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 46 16.106 4.045 3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.906 3.191 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.928 1.965 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.911 3.015 4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.346 0.055 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.812 -0.308 2.486 1.00 0.00 H new ATOM 702 N GLY A 47 13.992 5.733 3.750 1.00 0.00 N ATOM 703 CA GLY A 47 12.691 6.249 3.365 1.00 0.00 C ATOM 704 C GLY A 47 12.296 5.835 1.961 1.00 0.00 C ATOM 705 O GLY A 47 13.092 5.942 1.027 1.00 0.00 O ATOM 0 H GLY A 47 14.692 5.737 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.939 5.894 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.701 7.337 3.431 1.00 0.00 H new ATOM 709 N LEU A 48 11.065 5.360 1.811 1.00 0.00 N ATOM 710 CA LEU A 48 10.565 4.927 0.510 1.00 0.00 C ATOM 711 C LEU A 48 9.518 5.900 -0.022 1.00 0.00 C ATOM 712 O LEU A 48 8.773 6.508 0.746 1.00 0.00 O ATOM 713 CB LEU A 48 9.968 3.523 0.613 1.00 0.00 C ATOM 714 CG LEU A 48 10.879 2.447 1.206 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.134 1.127 1.333 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.128 2.277 0.353 1.00 0.00 C ATOM 0 H LEU A 48 10.394 5.265 2.574 1.00 0.00 H new ATOM 0 HA LEU A 48 11.403 4.908 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.063 3.578 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.665 3.205 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 48 11.184 2.765 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.798 0.374 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.271 1.258 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.799 0.802 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.765 1.508 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.842 1.981 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.673 3.220 0.314 1.00 0.00 H new ATOM 728 N VAL A 49 9.466 6.040 -1.343 1.00 0.00 N ATOM 729 CA VAL A 49 8.508 6.936 -1.980 1.00 0.00 C ATOM 730 C VAL A 49 7.833 6.264 -3.169 1.00 0.00 C ATOM 731 O VAL A 49 8.486 5.597 -3.972 1.00 0.00 O ATOM 732 CB VAL A 49 9.185 8.236 -2.455 1.00 0.00 C ATOM 733 CG1 VAL A 49 8.175 9.145 -3.138 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.851 8.947 -1.287 1.00 0.00 C ATOM 0 H VAL A 49 10.076 5.544 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 49 7.756 7.180 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 49 9.956 7.979 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.671 10.058 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.749 8.633 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.379 9.397 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.324 9.863 -1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.101 9.193 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.606 8.295 -0.847 1.00 0.00 H new ATOM 744 N PHE A 50 6.521 6.444 -3.277 1.00 0.00 N ATOM 745 CA PHE A 50 5.755 5.853 -4.369 1.00 0.00 C ATOM 746 C PHE A 50 4.603 6.766 -4.781 1.00 0.00 C ATOM 747 O PHE A 50 3.880 7.293 -3.935 1.00 0.00 O ATOM 748 CB PHE A 50 5.213 4.483 -3.958 1.00 0.00 C ATOM 749 CG PHE A 50 6.217 3.635 -3.231 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.200 2.951 -3.928 1.00 0.00 C ATOM 751 CD2 PHE A 50 6.178 3.521 -1.851 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.126 2.169 -3.263 1.00 0.00 C ATOM 753 CE2 PHE A 50 7.101 2.742 -1.180 1.00 0.00 C ATOM 754 CZ PHE A 50 8.075 2.064 -1.886 1.00 0.00 C ATOM 0 H PHE A 50 5.966 6.994 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 50 6.422 5.730 -5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.339 4.623 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.877 3.952 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.243 3.030 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.417 4.047 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.887 1.641 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.061 2.663 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.796 1.453 -1.363 1.00 0.00 H new ATOM 764 N THR A 51 4.440 6.949 -6.088 1.00 0.00 N ATOM 765 CA THR A 51 3.378 7.798 -6.613 1.00 0.00 C ATOM 766 C THR A 51 2.267 6.964 -7.240 1.00 0.00 C ATOM 767 O THR A 51 2.416 6.443 -8.346 1.00 0.00 O ATOM 768 CB THR A 51 3.918 8.787 -7.664 1.00 0.00 C ATOM 769 OG1 THR A 51 5.079 9.454 -7.158 1.00 0.00 O ATOM 770 CG2 THR A 51 2.859 9.813 -8.036 1.00 0.00 C ATOM 0 H THR A 51 5.030 6.521 -6.802 1.00 0.00 H new ATOM 0 HA THR A 51 2.975 8.359 -5.770 1.00 0.00 H new ATOM 0 HB THR A 51 4.184 8.223 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.417 10.079 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.263 10.500 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.988 9.304 -8.449 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.565 10.372 -7.147 1.00 0.00 H new ATOM 778 N LEU A 52 1.152 6.842 -6.528 1.00 0.00 N ATOM 779 CA LEU A 52 0.013 6.072 -7.016 1.00 0.00 C ATOM 780 C LEU A 52 -1.289 6.842 -6.822 1.00 0.00 C ATOM 781 O LEU A 52 -1.486 7.535 -5.823 1.00 0.00 O ATOM 782 CB LEU A 52 -0.064 4.726 -6.293 1.00 0.00 C ATOM 783 CG LEU A 52 1.242 3.937 -6.200 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.061 2.704 -5.329 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.728 3.546 -7.588 1.00 0.00 C ATOM 0 H LEU A 52 1.012 7.266 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 52 0.154 5.897 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.432 4.900 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.804 4.106 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 52 1.997 4.574 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.001 2.155 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.760 3.008 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.292 2.064 -5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.659 2.985 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.975 2.928 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.899 4.445 -8.180 1.00 0.00 H new ATOM 797 N PRO A 53 -2.201 6.718 -7.797 1.00 0.00 N ATOM 798 CA PRO A 53 -3.502 7.393 -7.755 1.00 0.00 C ATOM 799 C PRO A 53 -4.422 6.813 -6.687 1.00 0.00 C ATOM 800 O PRO A 53 -4.326 5.634 -6.344 1.00 0.00 O ATOM 801 CB PRO A 53 -4.078 7.142 -9.151 1.00 0.00 C ATOM 802 CG PRO A 53 -3.413 5.892 -9.615 1.00 0.00 C ATOM 803 CD PRO A 53 -2.034 5.909 -9.016 1.00 0.00 C ATOM 0 HA PRO A 53 -3.405 8.449 -7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.161 7.025 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.868 7.975 -9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.968 5.012 -9.291 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.365 5.856 -10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.684 4.903 -8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.306 6.352 -9.696 1.00 0.00 H new ATOM 811 N LEU A 54 -5.314 7.647 -6.164 1.00 0.00 N ATOM 812 CA LEU A 54 -6.253 7.216 -5.134 1.00 0.00 C ATOM 813 C LEU A 54 -7.483 6.565 -5.757 1.00 0.00 C ATOM 814 O LEU A 54 -8.500 7.221 -5.982 1.00 0.00 O ATOM 815 CB LEU A 54 -6.674 8.406 -4.270 1.00 0.00 C ATOM 816 CG LEU A 54 -5.546 9.323 -3.794 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.049 10.750 -3.636 1.00 0.00 C ATOM 818 CD2 LEU A 54 -4.961 8.814 -2.485 1.00 0.00 C ATOM 0 H LEU A 54 -5.407 8.626 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.753 6.478 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.388 9.005 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.200 8.025 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.758 9.318 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.233 11.388 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.419 11.113 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.856 10.772 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.160 9.479 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.741 8.788 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.563 7.810 -2.631 1.00 0.00 H new ATOM 830 N THR A 55 -7.385 5.268 -6.031 1.00 0.00 N ATOM 831 CA THR A 55 -8.489 4.526 -6.627 1.00 0.00 C ATOM 832 C THR A 55 -8.820 3.282 -5.811 1.00 0.00 C ATOM 833 O THR A 55 -9.985 3.005 -5.528 1.00 0.00 O ATOM 834 CB THR A 55 -8.169 4.108 -8.074 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.864 3.523 -8.138 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.240 5.304 -9.012 1.00 0.00 C ATOM 0 H THR A 55 -6.551 4.709 -5.849 1.00 0.00 H new ATOM 0 HA THR A 55 -9.351 5.193 -6.632 1.00 0.00 H new ATOM 0 HB THR A 55 -8.912 3.375 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.669 3.258 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.010 4.984 -10.028 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.243 5.729 -8.984 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.518 6.057 -8.697 1.00 0.00 H new ATOM 844 N ASP A 56 -7.787 2.535 -5.436 1.00 0.00 N ATOM 845 CA ASP A 56 -7.967 1.320 -4.651 1.00 0.00 C ATOM 846 C ASP A 56 -7.777 1.601 -3.163 1.00 0.00 C ATOM 847 O ASP A 56 -7.600 2.749 -2.757 1.00 0.00 O ATOM 848 CB ASP A 56 -6.985 0.241 -5.108 1.00 0.00 C ATOM 849 CG ASP A 56 -7.489 -0.527 -6.314 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.542 -1.189 -6.199 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.830 -0.466 -7.373 1.00 0.00 O ATOM 0 H ASP A 56 -6.816 2.750 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.985 0.963 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.028 0.704 -5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.805 -0.454 -4.288 1.00 0.00 H new ATOM 856 N GLN A 57 -7.816 0.545 -2.357 1.00 0.00 N ATOM 857 CA GLN A 57 -7.650 0.679 -0.915 1.00 0.00 C ATOM 858 C GLN A 57 -6.173 0.756 -0.542 1.00 0.00 C ATOM 859 O GLN A 57 -5.304 0.800 -1.412 1.00 0.00 O ATOM 860 CB GLN A 57 -8.310 -0.497 -0.192 1.00 0.00 C ATOM 861 CG GLN A 57 -9.816 -0.565 -0.389 1.00 0.00 C ATOM 862 CD GLN A 57 -10.210 -1.382 -1.604 1.00 0.00 C ATOM 863 OE1 GLN A 57 -10.644 -0.837 -2.619 1.00 0.00 O ATOM 864 NE2 GLN A 57 -10.059 -2.698 -1.506 1.00 0.00 N ATOM 0 H GLN A 57 -7.961 -0.412 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.134 1.605 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.863 -1.427 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.094 -0.425 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.276 -0.998 0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.211 0.446 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.695 -3.107 -0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.307 -3.300 -2.292 1.00 0.00 H new ATOM 873 N VAL A 58 -5.896 0.773 0.758 1.00 0.00 N ATOM 874 CA VAL A 58 -4.525 0.844 1.247 1.00 0.00 C ATOM 875 C VAL A 58 -3.786 -0.467 1.004 1.00 0.00 C ATOM 876 O VAL A 58 -2.562 -0.533 1.123 1.00 0.00 O ATOM 877 CB VAL A 58 -4.481 1.175 2.751 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.043 1.326 3.223 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.282 2.435 3.043 1.00 0.00 C ATOM 0 H VAL A 58 -6.604 0.739 1.492 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.033 1.643 0.693 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.933 0.349 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.032 1.560 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.504 0.395 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.561 2.132 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.240 2.654 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.861 3.271 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.319 2.284 2.744 1.00 0.00 H new ATOM 889 N SER A 59 -4.537 -1.509 0.662 1.00 0.00 N ATOM 890 CA SER A 59 -3.954 -2.820 0.405 1.00 0.00 C ATOM 891 C SER A 59 -2.988 -2.764 -0.774 1.00 0.00 C ATOM 892 O SER A 59 -2.177 -3.668 -0.971 1.00 0.00 O ATOM 893 CB SER A 59 -5.055 -3.846 0.128 1.00 0.00 C ATOM 894 OG SER A 59 -6.183 -3.234 -0.473 1.00 0.00 O ATOM 0 H SER A 59 -5.551 -1.470 0.557 1.00 0.00 H new ATOM 0 HA SER A 59 -3.399 -3.123 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.671 -4.629 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.352 -4.326 1.060 1.00 0.00 H new ATOM 0 HG SER A 59 -6.871 -3.911 -0.641 1.00 0.00 H new ATOM 900 N VAL A 60 -3.081 -1.693 -1.556 1.00 0.00 N ATOM 901 CA VAL A 60 -2.215 -1.516 -2.716 1.00 0.00 C ATOM 902 C VAL A 60 -0.928 -0.792 -2.336 1.00 0.00 C ATOM 903 O VAL A 60 0.046 -0.801 -3.088 1.00 0.00 O ATOM 904 CB VAL A 60 -2.925 -0.726 -3.831 1.00 0.00 C ATOM 905 CG1 VAL A 60 -4.094 -1.524 -4.390 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.392 0.625 -3.312 1.00 0.00 C ATOM 0 H VAL A 60 -3.747 -0.935 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.973 -2.513 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.214 -0.554 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.583 -0.950 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.729 -2.465 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.808 -1.730 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.891 1.170 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.087 0.477 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.532 1.198 -2.965 1.00 0.00 H new ATOM 916 N ILE A 61 -0.933 -0.166 -1.164 1.00 0.00 N ATOM 917 CA ILE A 61 0.235 0.562 -0.683 1.00 0.00 C ATOM 918 C ILE A 61 1.150 -0.345 0.134 1.00 0.00 C ATOM 919 O ILE A 61 2.354 -0.106 0.230 1.00 0.00 O ATOM 920 CB ILE A 61 -0.171 1.772 0.178 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.735 2.887 -0.705 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.020 2.276 0.979 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.231 2.795 -0.913 1.00 0.00 C ATOM 0 H ILE A 61 -1.732 -0.148 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 61 0.770 0.917 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.947 1.458 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.498 3.851 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.239 2.857 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.717 3.132 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.382 1.482 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.816 2.577 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.561 3.617 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.474 1.846 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.737 2.856 0.051 1.00 0.00 H new ATOM 935 N LYS A 62 0.571 -1.387 0.720 1.00 0.00 N ATOM 936 CA LYS A 62 1.333 -2.333 1.527 1.00 0.00 C ATOM 937 C LYS A 62 2.145 -3.272 0.641 1.00 0.00 C ATOM 938 O LYS A 62 3.283 -3.615 0.962 1.00 0.00 O ATOM 939 CB LYS A 62 0.393 -3.143 2.423 1.00 0.00 C ATOM 940 CG LYS A 62 -0.450 -2.288 3.352 1.00 0.00 C ATOM 941 CD LYS A 62 -1.101 -3.123 4.442 1.00 0.00 C ATOM 942 CE LYS A 62 -1.348 -2.303 5.699 1.00 0.00 C ATOM 943 NZ LYS A 62 -1.798 -3.154 6.836 1.00 0.00 N ATOM 0 H LYS A 62 -0.425 -1.598 0.651 1.00 0.00 H new ATOM 0 HA LYS A 62 2.022 -1.767 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.267 -3.742 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.983 -3.839 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.174 -1.518 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.220 -1.775 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.046 -3.526 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.462 -3.974 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.433 -1.779 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.101 -1.542 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.891 -2.570 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.718 -3.581 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.100 -3.906 7.004 1.00 0.00 H new ATOM 957 N VAL A 63 1.553 -3.686 -0.475 1.00 0.00 N ATOM 958 CA VAL A 63 2.222 -4.584 -1.408 1.00 0.00 C ATOM 959 C VAL A 63 3.582 -4.032 -1.822 1.00 0.00 C ATOM 960 O VAL A 63 4.565 -4.769 -1.904 1.00 0.00 O ATOM 961 CB VAL A 63 1.370 -4.820 -2.669 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.445 -3.617 -3.597 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.818 -6.085 -3.385 1.00 0.00 C ATOM 0 H VAL A 63 0.611 -3.413 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 63 2.361 -5.533 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 63 0.331 -4.950 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.837 -3.802 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.072 -2.734 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.480 -3.452 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.205 -6.236 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.863 -5.987 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.707 -6.940 -2.718 1.00 0.00 H new ATOM 973 N LYS A 64 3.631 -2.730 -2.083 1.00 0.00 N ATOM 974 CA LYS A 64 4.870 -2.077 -2.487 1.00 0.00 C ATOM 975 C LYS A 64 5.969 -2.308 -1.456 1.00 0.00 C ATOM 976 O LYS A 64 7.096 -2.662 -1.804 1.00 0.00 O ATOM 977 CB LYS A 64 4.641 -0.575 -2.676 1.00 0.00 C ATOM 978 CG LYS A 64 3.567 -0.248 -3.700 1.00 0.00 C ATOM 979 CD LYS A 64 4.102 -0.344 -5.119 1.00 0.00 C ATOM 980 CE LYS A 64 4.930 0.878 -5.486 1.00 0.00 C ATOM 981 NZ LYS A 64 5.857 0.600 -6.618 1.00 0.00 N ATOM 0 H LYS A 64 2.826 -2.106 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 64 5.188 -2.512 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.364 -0.135 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.577 -0.109 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.728 -0.933 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.186 0.758 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.712 -1.242 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.270 -0.444 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.266 1.700 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.504 1.202 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.403 1.457 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.508 -0.167 -6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.308 0.315 -7.454 1.00 0.00 H new ATOM 995 N ILE A 65 5.634 -2.107 -0.186 1.00 0.00 N ATOM 996 CA ILE A 65 6.593 -2.297 0.896 1.00 0.00 C ATOM 997 C ILE A 65 7.246 -3.673 0.816 1.00 0.00 C ATOM 998 O ILE A 65 8.461 -3.786 0.651 1.00 0.00 O ATOM 999 CB ILE A 65 5.925 -2.138 2.275 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.275 -0.757 2.394 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.944 -2.347 3.384 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.373 -0.616 3.600 1.00 0.00 C ATOM 0 H ILE A 65 4.706 -1.813 0.119 1.00 0.00 H new ATOM 0 HA ILE A 65 7.356 -1.527 0.780 1.00 0.00 H new ATOM 0 HB ILE A 65 5.147 -2.895 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.057 0.001 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.696 -0.558 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.457 -2.231 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.365 -3.349 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.742 -1.610 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.947 0.387 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.570 -1.350 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.952 -0.783 4.509 1.00 0.00 H new ATOM 1014 N HIS A 66 6.431 -4.717 0.934 1.00 0.00 N ATOM 1015 CA HIS A 66 6.930 -6.086 0.873 1.00 0.00 C ATOM 1016 C HIS A 66 7.809 -6.290 -0.357 1.00 0.00 C ATOM 1017 O HIS A 66 8.825 -6.981 -0.297 1.00 0.00 O ATOM 1018 CB HIS A 66 5.764 -7.075 0.851 1.00 0.00 C ATOM 1019 CG HIS A 66 6.195 -8.506 0.752 1.00 0.00 C ATOM 1020 ND1 HIS A 66 5.980 -9.281 -0.369 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.832 -9.302 1.641 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.466 -10.492 -0.163 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.989 -10.531 1.049 1.00 0.00 N ATOM 0 H HIS A 66 5.423 -4.641 1.072 1.00 0.00 H new ATOM 0 HA HIS A 66 7.534 -6.267 1.762 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.170 -6.945 1.756 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.115 -6.840 0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.157 -9.023 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.440 -11.311 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.437 -11.342 1.476 1.00 0.00 H new ATOM 1032 N GLU A 67 7.409 -5.684 -1.471 1.00 0.00 N ATOM 1033 CA GLU A 67 8.160 -5.802 -2.716 1.00 0.00 C ATOM 1034 C GLU A 67 9.580 -5.269 -2.546 1.00 0.00 C ATOM 1035 O GLU A 67 10.544 -5.888 -2.996 1.00 0.00 O ATOM 1036 CB GLU A 67 7.450 -5.044 -3.839 1.00 0.00 C ATOM 1037 CG GLU A 67 6.455 -5.893 -4.612 1.00 0.00 C ATOM 1038 CD GLU A 67 7.129 -6.858 -5.568 1.00 0.00 C ATOM 1039 OE1 GLU A 67 8.182 -7.420 -5.200 1.00 0.00 O ATOM 1040 OE2 GLU A 67 6.603 -7.051 -6.684 1.00 0.00 O ATOM 0 H GLU A 67 6.570 -5.107 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 67 8.215 -6.858 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.929 -4.186 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.196 -4.654 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.839 -6.454 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.785 -5.241 -5.172 1.00 0.00 H new ATOM 1047 N ALA A 68 9.700 -4.118 -1.894 1.00 0.00 N ATOM 1048 CA ALA A 68 11.001 -3.502 -1.664 1.00 0.00 C ATOM 1049 C ALA A 68 11.700 -4.129 -0.462 1.00 0.00 C ATOM 1050 O ALA A 68 12.769 -4.726 -0.593 1.00 0.00 O ATOM 1051 CB ALA A 68 10.847 -2.002 -1.463 1.00 0.00 C ATOM 0 H ALA A 68 8.912 -3.593 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 68 11.619 -3.678 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.827 -1.555 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.397 -1.560 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.207 -1.814 -0.601 1.00 0.00 H new ATOM 1057 N THR A 69 11.089 -3.990 0.711 1.00 0.00 N ATOM 1058 CA THR A 69 11.654 -4.541 1.936 1.00 0.00 C ATOM 1059 C THR A 69 11.139 -5.953 2.193 1.00 0.00 C ATOM 1060 O THR A 69 10.092 -6.345 1.679 1.00 0.00 O ATOM 1061 CB THR A 69 11.323 -3.657 3.154 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.906 -3.603 3.349 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.869 -2.250 2.965 1.00 0.00 C ATOM 0 H THR A 69 10.203 -3.501 0.838 1.00 0.00 H new ATOM 0 HA THR A 69 12.735 -4.571 1.800 1.00 0.00 H new ATOM 0 HB THR A 69 11.793 -4.097 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.452 -3.819 2.508 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.623 -1.644 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.952 -2.293 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.424 -1.803 2.076 1.00 0.00 H new ATOM 1071 N GLY A 70 11.882 -6.713 2.991 1.00 0.00 N ATOM 1072 CA GLY A 70 11.483 -8.073 3.302 1.00 0.00 C ATOM 1073 C GLY A 70 10.454 -8.136 4.413 1.00 0.00 C ATOM 1074 O GLY A 70 10.444 -9.078 5.206 1.00 0.00 O ATOM 0 H GLY A 70 12.753 -6.411 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.076 -8.542 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.362 -8.649 3.592 1.00 0.00 H new ATOM 1078 N MET A 71 9.588 -7.131 4.473 1.00 0.00 N ATOM 1079 CA MET A 71 8.550 -7.076 5.496 1.00 0.00 C ATOM 1080 C MET A 71 7.195 -7.472 4.918 1.00 0.00 C ATOM 1081 O MET A 71 6.805 -7.038 3.834 1.00 0.00 O ATOM 1082 CB MET A 71 8.471 -5.672 6.098 1.00 0.00 C ATOM 1083 CG MET A 71 7.888 -5.644 7.502 1.00 0.00 C ATOM 1084 SD MET A 71 8.277 -4.121 8.385 1.00 0.00 S ATOM 1085 CE MET A 71 7.651 -4.508 10.018 1.00 0.00 C ATOM 0 H MET A 71 9.584 -6.343 3.825 1.00 0.00 H new ATOM 0 HA MET A 71 8.811 -7.786 6.281 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.471 -5.238 6.120 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.864 -5.041 5.449 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.806 -5.760 7.444 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.270 -6.495 8.067 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.774 -3.895 10.226 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.376 -5.562 10.062 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.421 -4.303 10.761 1.00 0.00 H new ATOM 1095 N PRO A 72 6.459 -8.315 5.657 1.00 0.00 N ATOM 1096 CA PRO A 72 5.136 -8.787 5.238 1.00 0.00 C ATOM 1097 C PRO A 72 4.087 -7.682 5.276 1.00 0.00 C ATOM 1098 O PRO A 72 4.156 -6.776 6.107 1.00 0.00 O ATOM 1099 CB PRO A 72 4.806 -9.874 6.263 1.00 0.00 C ATOM 1100 CG PRO A 72 5.598 -9.510 7.471 1.00 0.00 C ATOM 1101 CD PRO A 72 6.861 -8.872 6.960 1.00 0.00 C ATOM 0 HA PRO A 72 5.137 -9.141 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.739 -9.900 6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.079 -10.862 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.043 -8.822 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.821 -10.392 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.221 -8.096 7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.665 -9.600 6.855 1.00 0.00 H new ATOM 1109 N ALA A 73 3.115 -7.762 4.373 1.00 0.00 N ATOM 1110 CA ALA A 73 2.050 -6.769 4.306 1.00 0.00 C ATOM 1111 C ALA A 73 1.030 -6.983 5.419 1.00 0.00 C ATOM 1112 O ALA A 73 -0.177 -6.982 5.177 1.00 0.00 O ATOM 1113 CB ALA A 73 1.369 -6.817 2.947 1.00 0.00 C ATOM 0 H ALA A 73 3.043 -8.505 3.678 1.00 0.00 H new ATOM 0 HA ALA A 73 2.496 -5.784 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.576 -6.070 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.100 -6.608 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.942 -7.807 2.789 1.00 0.00 H new ATOM 1119 N GLY A 74 1.522 -7.168 6.640 1.00 0.00 N ATOM 1120 CA GLY A 74 0.639 -7.382 7.772 1.00 0.00 C ATOM 1121 C GLY A 74 1.229 -6.871 9.072 1.00 0.00 C ATOM 1122 O GLY A 74 0.632 -6.031 9.746 1.00 0.00 O ATOM 0 H GLY A 74 2.517 -7.174 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.312 -6.882 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.426 -8.447 7.867 1.00 0.00 H new ATOM 1126 N LYS A 75 2.404 -7.380 9.427 1.00 0.00 N ATOM 1127 CA LYS A 75 3.075 -6.972 10.655 1.00 0.00 C ATOM 1128 C LYS A 75 3.329 -5.468 10.662 1.00 0.00 C ATOM 1129 O LYS A 75 3.043 -4.786 11.646 1.00 0.00 O ATOM 1130 CB LYS A 75 4.399 -7.724 10.811 1.00 0.00 C ATOM 1131 CG LYS A 75 4.228 -9.180 11.206 1.00 0.00 C ATOM 1132 CD LYS A 75 4.024 -9.332 12.704 1.00 0.00 C ATOM 1133 CE LYS A 75 5.335 -9.190 13.462 1.00 0.00 C ATOM 1134 NZ LYS A 75 5.261 -9.804 14.817 1.00 0.00 N ATOM 0 H LYS A 75 2.911 -8.076 8.881 1.00 0.00 H new ATOM 0 HA LYS A 75 2.424 -7.217 11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.949 -7.673 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.006 -7.221 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.374 -9.603 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.107 -9.747 10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.317 -8.580 13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.584 -10.307 12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.136 -9.661 12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.588 -8.134 13.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.174 -9.687 15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.513 -9.338 15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.044 -10.817 14.728 1.00 0.00 H new ATOM 1148 N GLN A 76 3.865 -4.958 9.558 1.00 0.00 N ATOM 1149 CA GLN A 76 4.156 -3.534 9.438 1.00 0.00 C ATOM 1150 C GLN A 76 2.882 -2.705 9.565 1.00 0.00 C ATOM 1151 O GLN A 76 1.937 -2.879 8.796 1.00 0.00 O ATOM 1152 CB GLN A 76 4.837 -3.242 8.099 1.00 0.00 C ATOM 1153 CG GLN A 76 3.947 -3.502 6.895 1.00 0.00 C ATOM 1154 CD GLN A 76 4.739 -3.818 5.641 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.963 -3.946 5.682 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.043 -3.945 4.518 1.00 0.00 N ATOM 0 H GLN A 76 4.106 -5.509 8.734 1.00 0.00 H new ATOM 0 HA GLN A 76 4.830 -3.257 10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.159 -2.201 8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.735 -3.855 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.277 -4.333 7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.322 -2.628 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.030 -3.831 4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.522 -4.157 3.643 1.00 0.00 H new ATOM 1165 N LYS A 77 2.863 -1.804 10.541 1.00 0.00 N ATOM 1166 CA LYS A 77 1.706 -0.947 10.770 1.00 0.00 C ATOM 1167 C LYS A 77 1.902 0.417 10.118 1.00 0.00 C ATOM 1168 O LYS A 77 2.821 1.159 10.470 1.00 0.00 O ATOM 1169 CB LYS A 77 1.461 -0.776 12.271 1.00 0.00 C ATOM 1170 CG LYS A 77 0.127 -0.128 12.600 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.070 0.013 14.100 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.749 -1.213 14.690 1.00 0.00 C ATOM 1173 NZ LYS A 77 -2.230 -1.149 14.548 1.00 0.00 N ATOM 0 H LYS A 77 3.637 -1.648 11.187 1.00 0.00 H new ATOM 0 HA LYS A 77 0.837 -1.425 10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.509 -1.753 12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.263 -0.172 12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.073 0.855 12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.682 -0.726 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.896 0.163 14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.671 0.898 14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.375 -2.109 14.195 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.489 -1.300 15.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.656 -2.003 14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.590 -0.308 15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.480 -1.092 13.540 1.00 0.00 H new ATOM 1187 N LEU A 78 1.034 0.744 9.167 1.00 0.00 N ATOM 1188 CA LEU A 78 1.111 2.021 8.466 1.00 0.00 C ATOM 1189 C LEU A 78 0.394 3.116 9.249 1.00 0.00 C ATOM 1190 O LEU A 78 -0.726 2.922 9.720 1.00 0.00 O ATOM 1191 CB LEU A 78 0.502 1.895 7.068 1.00 0.00 C ATOM 1192 CG LEU A 78 1.293 1.056 6.064 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.804 1.316 4.648 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.782 1.352 6.178 1.00 0.00 C ATOM 0 H LEU A 78 0.268 0.142 8.863 1.00 0.00 H new ATOM 0 HA LEU A 78 2.162 2.295 8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.495 1.465 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.378 2.897 6.656 1.00 0.00 H new ATOM 0 HG LEU A 78 1.133 0.003 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.379 0.710 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.251 1.054 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.934 2.371 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.330 0.746 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.960 2.408 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.124 1.114 7.185 1.00 0.00 H new ATOM 1206 N GLN A 79 1.047 4.266 9.382 1.00 0.00 N ATOM 1207 CA GLN A 79 0.470 5.392 10.106 1.00 0.00 C ATOM 1208 C GLN A 79 0.462 6.649 9.242 1.00 0.00 C ATOM 1209 O GLN A 79 1.506 7.095 8.768 1.00 0.00 O ATOM 1210 CB GLN A 79 1.252 5.651 11.395 1.00 0.00 C ATOM 1211 CG GLN A 79 0.430 6.328 12.480 1.00 0.00 C ATOM 1212 CD GLN A 79 1.246 6.647 13.717 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.384 7.808 14.102 1.00 0.00 O ATOM 1214 NE2 GLN A 79 1.793 5.614 14.349 1.00 0.00 N ATOM 0 H GLN A 79 1.975 4.442 8.998 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.560 5.140 10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.631 4.703 11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.118 6.272 11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.002 7.249 12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.403 5.682 12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.653 4.668 13.995 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.353 5.768 15.188 1.00 0.00 H new ATOM 1223 N TYR A 80 -0.724 7.214 9.041 1.00 0.00 N ATOM 1224 CA TYR A 80 -0.868 8.418 8.231 1.00 0.00 C ATOM 1225 C TYR A 80 -1.203 9.624 9.103 1.00 0.00 C ATOM 1226 O TYR A 80 -2.349 9.807 9.514 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.958 8.219 7.175 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.451 9.511 6.565 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.563 10.425 6.012 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.806 9.819 6.542 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.009 11.608 5.453 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.261 10.998 5.984 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.359 11.889 5.442 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.809 13.065 4.887 1.00 0.00 O ATOM 0 H TYR A 80 -1.598 6.858 9.427 1.00 0.00 H new ATOM 0 HA TYR A 80 0.083 8.606 7.732 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.572 7.577 6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.800 7.696 7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.505 10.207 6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.515 9.125 6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.305 12.308 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.318 11.221 5.972 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.785 13.108 4.959 1.00 0.00 H new ATOM 1244 N GLU A 81 -0.194 10.443 9.380 1.00 0.00 N ATOM 1245 CA GLU A 81 -0.381 11.632 10.204 1.00 0.00 C ATOM 1246 C GLU A 81 -0.992 11.269 11.554 1.00 0.00 C ATOM 1247 O GLU A 81 -1.646 12.091 12.193 1.00 0.00 O ATOM 1248 CB GLU A 81 -1.274 12.644 9.483 1.00 0.00 C ATOM 1249 CG GLU A 81 -0.536 13.483 8.453 1.00 0.00 C ATOM 1250 CD GLU A 81 0.506 12.688 7.691 1.00 0.00 C ATOM 1251 OE1 GLU A 81 1.481 12.229 8.322 1.00 0.00 O ATOM 1252 OE2 GLU A 81 0.346 12.525 6.463 1.00 0.00 O ATOM 0 H GLU A 81 0.760 10.306 9.047 1.00 0.00 H new ATOM 0 HA GLU A 81 0.598 12.080 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.087 12.111 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.727 13.306 10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.255 13.902 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.053 14.323 8.953 1.00 0.00 H new ATOM 1259 N GLY A 82 -0.774 10.029 11.981 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.310 9.577 13.252 1.00 0.00 C ATOM 1261 C GLY A 82 -2.338 8.474 13.088 1.00 0.00 C ATOM 1262 O GLY A 82 -2.424 7.570 13.919 1.00 0.00 O ATOM 0 H GLY A 82 -0.236 9.329 11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.494 9.219 13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.766 10.420 13.771 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.119 8.550 12.016 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.145 7.551 11.747 1.00 0.00 C ATOM 1268 C ILE A 83 -3.524 6.195 11.430 1.00 0.00 C ATOM 1269 O ILE A 83 -2.471 6.116 10.796 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.051 7.975 10.575 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.657 9.353 10.844 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.146 6.943 10.352 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.150 10.050 9.595 1.00 0.00 C ATOM 0 H ILE A 83 -3.061 9.293 11.320 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.749 7.469 12.651 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.446 8.035 9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.487 9.246 11.542 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.910 9.981 11.330 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.778 7.257 9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.695 5.978 10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.751 6.854 11.254 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.567 11.021 9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.319 10.189 8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.920 9.443 9.119 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.183 5.130 11.873 1.00 0.00 N ATOM 1286 CA PHE A 84 -3.696 3.776 11.636 1.00 0.00 C ATOM 1287 C PHE A 84 -4.442 3.125 10.475 1.00 0.00 C ATOM 1288 O PHE A 84 -4.925 1.998 10.588 1.00 0.00 O ATOM 1289 CB PHE A 84 -3.853 2.926 12.898 1.00 0.00 C ATOM 1290 CG PHE A 84 -2.952 3.351 14.023 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -1.607 3.020 14.013 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -3.451 4.081 15.089 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -0.776 3.409 15.047 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -2.625 4.473 16.126 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.285 4.137 16.104 1.00 0.00 C ATOM 0 H PHE A 84 -5.056 5.178 12.398 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.639 3.838 11.377 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.889 2.976 13.234 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.648 1.884 12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.203 2.452 13.188 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.497 4.347 15.110 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.271 3.144 15.028 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.027 5.041 16.952 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.637 4.443 16.912 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.531 3.843 9.360 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.217 3.336 8.178 1.00 0.00 C ATOM 1307 C ILE A 85 -4.879 1.869 7.934 1.00 0.00 C ATOM 1308 O ILE A 85 -3.765 1.423 8.207 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.854 4.151 6.923 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.354 4.050 6.639 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.269 5.604 7.097 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -3.001 4.244 5.181 1.00 0.00 C ATOM 0 H ILE A 85 -4.137 4.777 9.251 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.286 3.434 8.367 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.394 3.739 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.829 4.797 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.996 3.073 6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.006 6.167 6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.346 5.658 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.753 6.029 7.958 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.922 4.159 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.498 3.481 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.328 5.231 4.856 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.849 1.123 7.414 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.655 -0.294 7.128 1.00 0.00 C ATOM 1326 C LYS A 86 -6.024 -0.613 5.683 1.00 0.00 C ATOM 1327 O LYS A 86 -6.555 0.236 4.967 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.495 -1.147 8.081 1.00 0.00 C ATOM 1329 CG LYS A 86 -5.867 -1.325 9.453 1.00 0.00 C ATOM 1330 CD LYS A 86 -6.313 -0.237 10.415 1.00 0.00 C ATOM 1331 CE LYS A 86 -7.568 -0.643 11.173 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.080 0.462 12.030 1.00 0.00 N ATOM 0 H LYS A 86 -6.777 1.477 7.182 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.601 -0.528 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.477 -0.687 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.653 -2.128 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.139 -2.301 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.781 -1.309 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.512 -0.025 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.502 0.683 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.340 -0.940 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.352 -1.513 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.936 0.146 12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.353 0.729 12.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.310 1.284 11.436 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.741 -1.840 5.262 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.046 -2.272 3.903 1.00 0.00 C ATOM 1348 C ASP A 87 -7.553 -2.302 3.668 1.00 0.00 C ATOM 1349 O ASP A 87 -8.019 -2.119 2.543 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.448 -3.655 3.638 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.356 -4.496 4.896 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.549 -4.150 5.784 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.091 -5.502 4.993 1.00 0.00 O ATOM 0 H ASP A 87 -5.301 -2.554 5.842 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.603 -1.555 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.058 -4.176 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.453 -3.541 3.207 1.00 0.00 H new ATOM 1358 N SER A 88 -8.309 -2.535 4.736 1.00 0.00 N ATOM 1359 CA SER A 88 -9.763 -2.594 4.645 1.00 0.00 C ATOM 1360 C SER A 88 -10.342 -1.222 4.310 1.00 0.00 C ATOM 1361 O SER A 88 -11.362 -1.116 3.631 1.00 0.00 O ATOM 1362 CB SER A 88 -10.357 -3.105 5.958 1.00 0.00 C ATOM 1363 OG SER A 88 -11.764 -3.246 5.861 1.00 0.00 O ATOM 0 H SER A 88 -7.939 -2.686 5.674 1.00 0.00 H new ATOM 0 HA SER A 88 -10.025 -3.285 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.909 -4.065 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.112 -2.414 6.765 1.00 0.00 H new ATOM 0 HG SER A 88 -12.119 -3.575 6.713 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.683 -0.175 4.794 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.131 1.191 4.548 1.00 0.00 C ATOM 1371 C ASN A 89 -9.624 1.696 3.200 1.00 0.00 C ATOM 1372 O ASN A 89 -8.524 1.348 2.770 1.00 0.00 O ATOM 1373 CB ASN A 89 -9.650 2.118 5.666 1.00 0.00 C ATOM 1374 CG ASN A 89 -10.300 1.800 6.999 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -11.260 2.454 7.406 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.776 0.792 7.687 1.00 0.00 N ATOM 0 H ASN A 89 -8.837 -0.246 5.359 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.221 1.191 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.568 2.034 5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.867 3.152 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.170 0.533 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.980 0.277 7.311 1.00 0.00 H new ATOM 1383 N SER A 90 -10.433 2.518 2.540 1.00 0.00 N ATOM 1384 CA SER A 90 -10.068 3.069 1.240 1.00 0.00 C ATOM 1385 C SER A 90 -9.317 4.387 1.400 1.00 0.00 C ATOM 1386 O SER A 90 -9.461 5.079 2.409 1.00 0.00 O ATOM 1387 CB SER A 90 -11.318 3.281 0.383 1.00 0.00 C ATOM 1388 OG SER A 90 -12.229 4.160 1.019 1.00 0.00 O ATOM 0 H SER A 90 -11.345 2.817 2.884 1.00 0.00 H new ATOM 0 HA SER A 90 -9.412 2.356 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.033 3.687 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.802 2.322 0.197 1.00 0.00 H new ATOM 0 HG SER A 90 -13.011 4.292 0.444 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.516 4.729 0.397 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.741 5.965 0.425 1.00 0.00 C ATOM 1396 C LEU A 91 -8.644 7.178 0.228 1.00 0.00 C ATOM 1397 O LEU A 91 -8.662 8.091 1.053 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.661 5.938 -0.658 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.534 4.924 -0.457 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.989 4.458 -1.798 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.423 5.525 0.392 1.00 0.00 C ATOM 0 H LEU A 91 -8.386 4.169 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.265 6.044 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.140 5.734 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.220 6.932 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.939 4.058 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.188 3.737 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.788 3.989 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.600 5.314 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.629 4.790 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.021 6.407 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.822 5.809 1.366 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.394 7.180 -0.870 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.302 8.278 -1.173 1.00 0.00 C ATOM 1415 C ALA A 92 -11.068 8.716 0.071 1.00 0.00 C ATOM 1416 O ALA A 92 -11.208 9.910 0.338 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.270 7.874 -2.276 1.00 0.00 C ATOM 0 H ALA A 92 -9.390 6.433 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.707 9.124 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.943 8.704 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.710 7.617 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.851 7.011 -1.952 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.564 7.743 0.828 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.319 8.029 2.042 1.00 0.00 C ATOM 1425 C TYR A 93 -11.564 9.008 2.936 1.00 0.00 C ATOM 1426 O TYR A 93 -12.106 10.034 3.349 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.600 6.735 2.809 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.182 6.962 4.186 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -14.451 7.504 4.345 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -12.462 6.632 5.328 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -14.986 7.714 5.601 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -12.990 6.837 6.588 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.252 7.378 6.720 1.00 0.00 C ATOM 1434 OH TYR A 93 -14.782 7.584 7.973 1.00 0.00 O ATOM 0 H TYR A 93 -11.457 6.750 0.622 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.265 8.486 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.289 6.121 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.673 6.170 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.029 7.766 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.474 6.208 5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.973 8.139 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.417 6.575 7.465 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.138 7.293 8.652 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.309 8.685 3.229 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.478 9.534 4.074 1.00 0.00 C ATOM 1446 C TYR A 94 -9.179 10.862 3.386 1.00 0.00 C ATOM 1447 O TYR A 94 -8.771 11.829 4.028 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.171 8.821 4.421 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.359 7.601 5.295 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.982 7.699 6.533 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.915 6.351 4.882 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.156 6.587 7.335 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.086 5.234 5.676 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.706 5.357 6.902 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.878 4.247 7.697 1.00 0.00 O ATOM 0 H TYR A 94 -9.845 7.841 2.894 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.028 9.738 4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.674 8.523 3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.508 9.522 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.336 8.660 6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.428 6.251 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.641 6.680 8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.736 4.269 5.339 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.685 4.357 8.242 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.387 10.901 2.074 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.140 12.110 1.296 1.00 0.00 C ATOM 1467 C ASN A 95 -7.678 12.534 1.400 1.00 0.00 C ATOM 1468 O ASN A 95 -7.375 13.713 1.581 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.047 13.244 1.777 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.448 12.765 2.104 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.870 12.791 3.260 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.176 12.324 1.085 1.00 0.00 N ATOM 0 H ASN A 95 -9.726 10.110 1.527 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.363 11.893 0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.608 13.706 2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.100 14.014 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.126 11.989 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.785 12.321 0.143 1.00 0.00 H new ATOM 1479 N MET A 96 -6.776 11.565 1.283 1.00 0.00 N ATOM 1480 CA MET A 96 -5.346 11.838 1.362 1.00 0.00 C ATOM 1481 C MET A 96 -4.909 12.774 0.239 1.00 0.00 C ATOM 1482 O MET A 96 -5.479 12.759 -0.851 1.00 0.00 O ATOM 1483 CB MET A 96 -4.551 10.533 1.292 1.00 0.00 C ATOM 1484 CG MET A 96 -4.935 9.529 2.366 1.00 0.00 C ATOM 1485 SD MET A 96 -3.749 8.180 2.512 1.00 0.00 S ATOM 1486 CE MET A 96 -4.211 7.493 4.101 1.00 0.00 C ATOM 0 H MET A 96 -7.010 10.584 1.133 1.00 0.00 H new ATOM 0 HA MET A 96 -5.147 12.325 2.316 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.699 10.079 0.312 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.488 10.759 1.381 1.00 0.00 H new ATOM 0 HG2 MET A 96 -5.016 10.042 3.325 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.919 9.119 2.139 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.338 7.466 4.753 1.00 0.00 H new ATOM 0 HE2 MET A 96 -4.984 8.113 4.555 1.00 0.00 H new ATOM 0 HE3 MET A 96 -4.592 6.481 3.963 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.895 13.588 0.514 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.381 14.529 -0.473 1.00 0.00 C ATOM 1498 C ALA A 97 -1.967 14.155 -0.904 1.00 0.00 C ATOM 1499 O ALA A 97 -1.271 13.414 -0.209 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.408 15.945 0.083 1.00 0.00 C ATOM 0 H ALA A 97 -3.413 13.614 1.413 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.025 14.483 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.021 16.637 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.433 16.218 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.789 15.996 0.979 1.00 0.00 H new ATOM 1506 N SER A 98 -1.548 14.671 -2.055 1.00 0.00 N ATOM 1507 CA SER A 98 -0.218 14.387 -2.581 1.00 0.00 C ATOM 1508 C SER A 98 0.856 14.716 -1.548 1.00 0.00 C ATOM 1509 O SER A 98 0.553 15.146 -0.436 1.00 0.00 O ATOM 1510 CB SER A 98 0.029 15.187 -3.861 1.00 0.00 C ATOM 1511 OG SER A 98 0.325 16.542 -3.568 1.00 0.00 O ATOM 0 H SER A 98 -2.110 15.288 -2.641 1.00 0.00 H new ATOM 0 HA SER A 98 -0.165 13.323 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.855 14.743 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.851 15.134 -4.502 1.00 0.00 H new ATOM 0 HG SER A 98 0.480 17.031 -4.403 1.00 0.00 H new ATOM 1517 N GLY A 99 2.114 14.508 -1.925 1.00 0.00 N ATOM 1518 CA GLY A 99 3.215 14.787 -1.021 1.00 0.00 C ATOM 1519 C GLY A 99 2.897 14.410 0.412 1.00 0.00 C ATOM 1520 O GLY A 99 3.098 15.207 1.329 1.00 0.00 O ATOM 0 H GLY A 99 2.390 14.151 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.099 14.240 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.460 15.848 -1.069 1.00 0.00 H new ATOM 1524 N ALA A 100 2.399 13.194 0.607 1.00 0.00 N ATOM 1525 CA ALA A 100 2.053 12.714 1.939 1.00 0.00 C ATOM 1526 C ALA A 100 3.210 11.938 2.560 1.00 0.00 C ATOM 1527 O ALA A 100 4.155 11.554 1.871 1.00 0.00 O ATOM 1528 CB ALA A 100 0.805 11.846 1.880 1.00 0.00 C ATOM 0 H ALA A 100 2.226 12.523 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 100 1.850 13.580 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.559 11.495 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.026 12.430 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.987 10.990 1.230 1.00 0.00 H new ATOM 1534 N VAL A 101 3.130 11.711 3.868 1.00 0.00 N ATOM 1535 CA VAL A 101 4.170 10.980 4.582 1.00 0.00 C ATOM 1536 C VAL A 101 3.566 9.938 5.517 1.00 0.00 C ATOM 1537 O VAL A 101 3.040 10.273 6.579 1.00 0.00 O ATOM 1538 CB VAL A 101 5.063 11.932 5.400 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.222 12.765 6.355 1.00 0.00 C ATOM 1540 CG2 VAL A 101 6.124 11.147 6.156 1.00 0.00 C ATOM 0 H VAL A 101 2.356 12.023 4.454 1.00 0.00 H new ATOM 0 HA VAL A 101 4.779 10.479 3.830 1.00 0.00 H new ATOM 0 HB VAL A 101 5.567 12.611 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.870 13.431 6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.504 13.356 5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.688 12.106 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.746 11.835 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.642 10.443 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.746 10.600 5.447 1.00 0.00 H new ATOM 1550 N ILE A 102 3.645 8.674 5.115 1.00 0.00 N ATOM 1551 CA ILE A 102 3.108 7.583 5.919 1.00 0.00 C ATOM 1552 C ILE A 102 4.166 7.023 6.863 1.00 0.00 C ATOM 1553 O ILE A 102 5.065 6.293 6.444 1.00 0.00 O ATOM 1554 CB ILE A 102 2.572 6.443 5.032 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.471 6.962 4.106 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.052 5.302 5.894 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.295 7.564 4.843 1.00 0.00 C ATOM 0 H ILE A 102 4.075 8.380 4.238 1.00 0.00 H new ATOM 0 HA ILE A 102 2.286 7.996 6.504 1.00 0.00 H new ATOM 0 HB ILE A 102 3.389 6.066 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.893 7.713 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.117 6.142 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.677 4.504 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.861 4.918 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.246 5.666 6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.446 7.911 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.153 6.810 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.636 8.405 5.447 1.00 0.00 H new ATOM 1569 N HIS A 103 4.052 7.368 8.142 1.00 0.00 N ATOM 1570 CA HIS A 103 4.998 6.898 9.148 1.00 0.00 C ATOM 1571 C HIS A 103 4.798 5.412 9.429 1.00 0.00 C ATOM 1572 O HIS A 103 3.680 4.963 9.686 1.00 0.00 O ATOM 1573 CB HIS A 103 4.840 7.699 10.440 1.00 0.00 C ATOM 1574 CG HIS A 103 5.067 9.169 10.266 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.318 9.748 10.312 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.195 10.179 10.041 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.205 11.051 10.126 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.926 11.338 9.959 1.00 0.00 N ATOM 0 H HIS A 103 3.314 7.971 8.506 1.00 0.00 H new ATOM 0 HA HIS A 103 6.006 7.044 8.760 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.837 7.539 10.836 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.541 7.317 11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.123 10.090 9.944 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.019 11.761 10.113 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.544 12.270 9.796 1.00 0.00 H new ATOM 1587 N LEU A 104 5.887 4.653 9.377 1.00 0.00 N ATOM 1588 CA LEU A 104 5.831 3.216 9.626 1.00 0.00 C ATOM 1589 C LEU A 104 5.974 2.915 11.114 1.00 0.00 C ATOM 1590 O LEU A 104 6.825 3.486 11.795 1.00 0.00 O ATOM 1591 CB LEU A 104 6.932 2.500 8.842 1.00 0.00 C ATOM 1592 CG LEU A 104 6.719 1.006 8.598 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.477 0.775 7.751 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.943 0.394 7.931 1.00 0.00 C ATOM 0 H LEU A 104 6.819 5.008 9.165 1.00 0.00 H new ATOM 0 HA LEU A 104 4.859 2.852 9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.042 2.993 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.874 2.630 9.376 1.00 0.00 H new ATOM 0 HG LEU A 104 6.573 0.518 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.342 -0.294 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.605 1.177 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.593 1.277 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.773 -0.670 7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.121 0.886 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.813 0.527 8.575 1.00 0.00 H new ATOM 1606 N ALA A 105 5.135 2.013 11.613 1.00 0.00 N ATOM 1607 CA ALA A 105 5.170 1.633 13.020 1.00 0.00 C ATOM 1608 C ALA A 105 5.234 0.117 13.177 1.00 0.00 C ATOM 1609 O ALA A 105 4.584 -0.622 12.437 1.00 0.00 O ATOM 1610 CB ALA A 105 3.955 2.190 13.748 1.00 0.00 C ATOM 0 H ALA A 105 4.423 1.532 11.064 1.00 0.00 H new ATOM 0 HA ALA A 105 6.071 2.057 13.463 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.994 1.898 14.798 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.953 3.277 13.673 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.046 1.794 13.295 1.00 0.00 H new ATOM 1616 N LEU A 106 6.022 -0.339 14.144 1.00 0.00 N ATOM 1617 CA LEU A 106 6.172 -1.768 14.399 1.00 0.00 C ATOM 1618 C LEU A 106 5.049 -2.282 15.294 1.00 0.00 C ATOM 1619 O LEU A 106 4.604 -1.590 16.210 1.00 0.00 O ATOM 1620 CB LEU A 106 7.528 -2.051 15.048 1.00 0.00 C ATOM 1621 CG LEU A 106 8.676 -2.374 14.091 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.424 -3.696 13.382 1.00 0.00 C ATOM 1623 CD2 LEU A 106 8.860 -1.251 13.080 1.00 0.00 C ATOM 0 H LEU A 106 6.567 0.260 14.765 1.00 0.00 H new ATOM 0 HA LEU A 106 6.118 -2.290 13.444 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.811 -1.183 15.644 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.411 -2.887 15.738 1.00 0.00 H new ATOM 0 HG LEU A 106 9.593 -2.466 14.673 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.251 -3.909 12.705 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.343 -4.495 14.119 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.497 -3.633 12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.681 -1.498 12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.943 -1.127 12.503 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.087 -0.323 13.604 1.00 0.00 H new ATOM 1635 N LYS A 107 4.596 -3.502 15.025 1.00 0.00 N ATOM 1636 CA LYS A 107 3.528 -4.112 15.807 1.00 0.00 C ATOM 1637 C LYS A 107 3.970 -4.336 17.250 1.00 0.00 C ATOM 1638 O LYS A 107 4.893 -5.106 17.513 1.00 0.00 O ATOM 1639 CB LYS A 107 3.105 -5.443 15.180 1.00 0.00 C ATOM 1640 CG LYS A 107 2.077 -6.202 16.001 1.00 0.00 C ATOM 1641 CD LYS A 107 1.309 -7.199 15.149 1.00 0.00 C ATOM 1642 CE LYS A 107 0.270 -6.506 14.281 1.00 0.00 C ATOM 1643 NZ LYS A 107 -0.915 -6.073 15.073 1.00 0.00 N ATOM 0 H LYS A 107 4.953 -4.088 14.270 1.00 0.00 H new ATOM 0 HA LYS A 107 2.677 -3.431 15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.697 -5.254 14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.987 -6.070 15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.576 -6.727 16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.380 -5.497 16.455 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.004 -7.750 14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.818 -7.928 15.794 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.720 -5.639 13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.050 -7.182 13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.662 -5.745 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.269 -6.874 15.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.642 -5.298 15.710 1.00 0.00 H new