USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 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 Single : A 12 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.3!) USER MOD Single : A 14 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -101:sc= -0.106 (180deg=-1.03) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.263) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00436 USER MOD Single : A 42 TYR OH : rot -22:sc= -0.946 USER MOD Single : A 57 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-4.3) USER MOD Single : A 59 GLN : amide:sc= -3.58! X(o=-3.6!,f=-4) USER MOD Single : A 63 ASN : amide:sc= -2.29 K(o=-2.3,f=-5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0127 (180deg=-0.216) USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= -0.214 (180deg=-0.335) USER MOD Single : A 76 TYR OH : rot 130:sc= -0.209 USER MOD Single : A 81 CYS SG : rot 109:sc= -0.324 USER MOD Single : A 82 HIS : no HD1:sc=-0.00514 X(o=-0.0051,f=-0.089) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.35) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.66! F(o=-2.6,f=-1.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -165:sc= -0.597 USER MOD Single : A 98 SER OG : rot -15:sc= 0.148 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.78 K(o=-1.8,f=-12!) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.72 (180deg=-3.17) USER MOD Single : A 107 CYS SG : rot 119:sc= -0.0889 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 14.940 -3.475 1.326 1.00 43.25 N ATOM 148 CA GLN A 12 14.963 -2.315 2.209 1.00 25.22 C ATOM 149 C GLN A 12 13.591 -1.653 2.274 1.00 22.05 C ATOM 150 O GLN A 12 12.759 -1.803 1.380 1.00 61.45 O ATOM 151 CB GLN A 12 16.008 -1.305 1.732 1.00 3.12 C ATOM 152 CG GLN A 12 16.028 -1.116 0.224 1.00 61.30 C ATOM 153 CD GLN A 12 16.651 0.202 -0.191 1.00 62.23 C ATOM 154 OE1 GLN A 12 16.548 1.202 0.520 1.00 73.14 O ATOM 155 NE2 GLN A 12 17.304 0.210 -1.348 1.00 13.22 N ATOM 0 HA GLN A 12 15.229 -2.657 3.209 1.00 25.22 H new ATOM 0 HB2 GLN A 12 15.815 -0.343 2.208 1.00 3.12 H new ATOM 0 HB3 GLN A 12 16.994 -1.632 2.062 1.00 3.12 H new ATOM 0 HG2 GLN A 12 16.582 -1.935 -0.234 1.00 61.30 H new ATOM 0 HG3 GLN A 12 15.009 -1.168 -0.158 1.00 61.30 H new ATOM 0 HE21 GLN A 12 17.365 -0.642 -1.905 1.00 13.22 H new ATOM 0 HE22 GLN A 12 17.745 1.068 -1.679 1.00 13.22 H new ATOM 164 N PRO A 13 13.347 -0.902 3.359 1.00 71.23 N ATOM 165 CA PRO A 13 12.076 -0.202 3.567 1.00 40.24 C ATOM 166 C PRO A 13 11.890 0.962 2.598 1.00 21.54 C ATOM 167 O PRO A 13 12.858 1.606 2.193 1.00 1.14 O ATOM 168 CB PRO A 13 12.185 0.312 5.005 1.00 70.54 C ATOM 169 CG PRO A 13 13.649 0.426 5.256 1.00 51.31 C ATOM 170 CD PRO A 13 14.293 -0.679 4.465 1.00 53.30 C ATOM 0 HA PRO A 13 11.219 -0.854 3.397 1.00 40.24 H new ATOM 0 HB2 PRO A 13 11.687 1.275 5.120 1.00 70.54 H new ATOM 0 HB3 PRO A 13 11.715 -0.376 5.708 1.00 70.54 H new ATOM 0 HG2 PRO A 13 14.024 1.400 4.942 1.00 51.31 H new ATOM 0 HG3 PRO A 13 13.872 0.326 6.318 1.00 51.31 H new ATOM 0 HD2 PRO A 13 15.278 -0.390 4.099 1.00 53.30 H new ATOM 0 HD3 PRO A 13 14.428 -1.578 5.066 1.00 53.30 H new ATOM 178 N HIS A 14 10.640 1.226 2.231 1.00 63.32 N ATOM 179 CA HIS A 14 10.328 2.313 1.310 1.00 13.13 C ATOM 180 C HIS A 14 9.104 3.091 1.784 1.00 12.21 C ATOM 181 O HIS A 14 8.497 2.756 2.802 1.00 61.34 O ATOM 182 CB HIS A 14 10.085 1.765 -0.096 1.00 70.02 C ATOM 183 CG HIS A 14 11.288 1.108 -0.699 1.00 23.32 C ATOM 184 ND1 HIS A 14 11.537 -0.245 -0.598 1.00 11.13 N ATOM 185 CD2 HIS A 14 12.314 1.625 -1.415 1.00 23.25 C ATOM 186 CE1 HIS A 14 12.665 -0.531 -1.224 1.00 35.14 C ATOM 187 NE2 HIS A 14 13.156 0.586 -1.728 1.00 50.24 N ATOM 0 H HIS A 14 9.827 0.703 2.557 1.00 63.32 H new ATOM 0 HA HIS A 14 11.181 2.991 1.285 1.00 13.13 H new ATOM 0 HB2 HIS A 14 9.268 1.045 -0.060 1.00 70.02 H new ATOM 0 HB3 HIS A 14 9.763 2.580 -0.744 1.00 70.02 H new ATOM 0 HD2 HIS A 14 12.446 2.661 -1.689 1.00 23.25 H new ATOM 0 HE1 HIS A 14 13.110 -1.512 -1.309 1.00 35.14 H new ATOM 0 HE2 HIS A 14 14.021 0.665 -2.263 1.00 50.24 H new ATOM 195 N LYS A 15 8.746 4.133 1.040 1.00 24.43 N ATOM 196 CA LYS A 15 7.595 4.959 1.383 1.00 60.11 C ATOM 197 C LYS A 15 6.407 4.638 0.481 1.00 24.12 C ATOM 198 O LYS A 15 5.453 5.411 0.397 1.00 1.31 O ATOM 199 CB LYS A 15 7.953 6.442 1.265 1.00 54.24 C ATOM 200 CG LYS A 15 8.624 6.803 -0.049 1.00 40.11 C ATOM 201 CD LYS A 15 10.054 7.271 0.165 1.00 14.24 C ATOM 202 CE LYS A 15 10.546 8.111 -1.003 1.00 65.22 C ATOM 203 NZ LYS A 15 11.670 7.451 -1.725 1.00 54.52 N ATOM 0 H LYS A 15 9.237 4.425 0.195 1.00 24.43 H new ATOM 0 HA LYS A 15 7.316 4.740 2.414 1.00 60.11 H new ATOM 0 HB2 LYS A 15 7.046 7.036 1.375 1.00 54.24 H new ATOM 0 HB3 LYS A 15 8.614 6.714 2.088 1.00 54.24 H new ATOM 0 HG2 LYS A 15 8.619 5.937 -0.711 1.00 40.11 H new ATOM 0 HG3 LYS A 15 8.054 7.588 -0.546 1.00 40.11 H new ATOM 0 HD2 LYS A 15 10.114 7.854 1.084 1.00 14.24 H new ATOM 0 HD3 LYS A 15 10.706 6.407 0.293 1.00 14.24 H new ATOM 0 HE2 LYS A 15 9.723 8.288 -1.696 1.00 65.22 H new ATOM 0 HE3 LYS A 15 10.871 9.086 -0.638 1.00 65.22 H new ATOM 0 HZ1 LYS A 15 11.978 8.054 -2.514 1.00 54.52 H new ATOM 0 HZ2 LYS A 15 12.465 7.305 -1.071 1.00 54.52 H new ATOM 0 HZ3 LYS A 15 11.353 6.532 -2.095 1.00 54.52 H new ATOM 217 N ARG A 16 6.472 3.493 -0.190 1.00 22.42 N ATOM 218 CA ARG A 16 5.402 3.070 -1.085 1.00 32.22 C ATOM 219 C ARG A 16 5.128 1.576 -0.938 1.00 24.23 C ATOM 220 O ARG A 16 6.032 0.752 -1.083 1.00 11.53 O ATOM 221 CB ARG A 16 5.764 3.393 -2.536 1.00 31.54 C ATOM 222 CG ARG A 16 6.317 4.795 -2.728 1.00 1.12 C ATOM 223 CD ARG A 16 6.703 5.048 -4.177 1.00 11.12 C ATOM 224 NE ARG A 16 7.914 4.324 -4.555 1.00 54.32 N ATOM 225 CZ ARG A 16 8.558 4.518 -5.701 1.00 10.15 C ATOM 226 NH1 ARG A 16 8.110 5.409 -6.575 1.00 30.34 N ATOM 227 NH2 ARG A 16 9.653 3.821 -5.973 1.00 64.42 N ATOM 0 H ARG A 16 7.255 2.841 -0.131 1.00 22.42 H new ATOM 0 HA ARG A 16 4.498 3.616 -0.813 1.00 32.22 H new ATOM 0 HB2 ARG A 16 6.500 2.670 -2.887 1.00 31.54 H new ATOM 0 HB3 ARG A 16 4.877 3.273 -3.158 1.00 31.54 H new ATOM 0 HG2 ARG A 16 5.572 5.527 -2.416 1.00 1.12 H new ATOM 0 HG3 ARG A 16 7.189 4.934 -2.088 1.00 1.12 H new ATOM 0 HD2 ARG A 16 5.883 4.747 -4.829 1.00 11.12 H new ATOM 0 HD3 ARG A 16 6.857 6.116 -4.330 1.00 11.12 H new ATOM 0 HE ARG A 16 8.285 3.632 -3.904 1.00 54.32 H new ATOM 0 HH11 ARG A 16 7.269 5.948 -6.368 1.00 30.34 H new ATOM 0 HH12 ARG A 16 8.607 5.556 -7.454 1.00 30.34 H new ATOM 0 HH21 ARG A 16 10.001 3.136 -5.302 1.00 64.42 H new ATOM 0 HH22 ARG A 16 10.147 3.970 -6.853 1.00 64.42 H new ATOM 241 N TRP A 17 3.878 1.234 -0.649 1.00 10.42 N ATOM 242 CA TRP A 17 3.486 -0.160 -0.482 1.00 30.55 C ATOM 243 C TRP A 17 2.050 -0.382 -0.945 1.00 4.22 C ATOM 244 O TRP A 17 1.159 0.409 -0.635 1.00 71.31 O ATOM 245 CB TRP A 17 3.633 -0.581 0.982 1.00 63.03 C ATOM 246 CG TRP A 17 5.059 -0.763 1.407 1.00 41.42 C ATOM 247 CD1 TRP A 17 5.848 0.154 2.042 1.00 32.41 C ATOM 248 CD2 TRP A 17 5.865 -1.932 1.225 1.00 2.32 C ATOM 249 NE1 TRP A 17 7.096 -0.376 2.266 1.00 11.34 N ATOM 250 CE2 TRP A 17 7.132 -1.654 1.775 1.00 11.14 C ATOM 251 CE3 TRP A 17 5.640 -3.187 0.653 1.00 11.25 C ATOM 252 CZ2 TRP A 17 8.167 -2.585 1.768 1.00 33.32 C ATOM 253 CZ3 TRP A 17 6.668 -4.110 0.647 1.00 42.12 C ATOM 254 CH2 TRP A 17 7.918 -3.806 1.202 1.00 64.03 C ATOM 0 H TRP A 17 3.118 1.903 -0.525 1.00 10.42 H new ATOM 0 HA TRP A 17 4.145 -0.772 -1.097 1.00 30.55 H new ATOM 0 HB2 TRP A 17 3.165 0.171 1.618 1.00 63.03 H new ATOM 0 HB3 TRP A 17 3.092 -1.514 1.140 1.00 63.03 H new ATOM 0 HD1 TRP A 17 5.537 1.148 2.326 1.00 32.41 H new ATOM 0 HE1 TRP A 17 7.870 0.105 2.724 1.00 11.34 H new ATOM 0 HE3 TRP A 17 4.680 -3.431 0.223 1.00 11.25 H new ATOM 0 HZ2 TRP A 17 9.132 -2.352 2.194 1.00 33.32 H new ATOM 0 HZ3 TRP A 17 6.505 -5.083 0.207 1.00 42.12 H new ATOM 0 HH2 TRP A 17 8.701 -4.550 1.183 1.00 64.03 H new ATOM 265 N VAL A 18 1.833 -1.462 -1.689 1.00 12.24 N ATOM 266 CA VAL A 18 0.504 -1.788 -2.193 1.00 43.54 C ATOM 267 C VAL A 18 -0.051 -3.035 -1.515 1.00 42.11 C ATOM 268 O VAL A 18 0.698 -3.942 -1.150 1.00 50.43 O ATOM 269 CB VAL A 18 0.522 -2.010 -3.717 1.00 70.14 C ATOM 270 CG1 VAL A 18 1.085 -0.789 -4.429 1.00 23.41 C ATOM 271 CG2 VAL A 18 1.323 -3.256 -4.064 1.00 74.22 C ATOM 0 H VAL A 18 2.560 -2.126 -1.956 1.00 12.24 H new ATOM 0 HA VAL A 18 -0.139 -0.938 -1.964 1.00 43.54 H new ATOM 0 HB VAL A 18 -0.503 -2.158 -4.057 1.00 70.14 H new ATOM 0 HG11 VAL A 18 1.090 -0.965 -5.505 1.00 23.41 H new ATOM 0 HG12 VAL A 18 0.466 0.080 -4.206 1.00 23.41 H new ATOM 0 HG13 VAL A 18 2.104 -0.606 -4.087 1.00 23.41 H new ATOM 0 HG21 VAL A 18 1.325 -3.398 -5.145 1.00 74.22 H new ATOM 0 HG22 VAL A 18 2.348 -3.140 -3.711 1.00 74.22 H new ATOM 0 HG23 VAL A 18 0.871 -4.124 -3.585 1.00 74.22 H new ATOM 281 N PHE A 19 -1.369 -3.075 -1.349 1.00 43.42 N ATOM 282 CA PHE A 19 -2.025 -4.211 -0.714 1.00 33.21 C ATOM 283 C PHE A 19 -3.063 -4.830 -1.646 1.00 31.23 C ATOM 284 O PHE A 19 -3.726 -4.128 -2.410 1.00 71.42 O ATOM 285 CB PHE A 19 -2.692 -3.777 0.593 1.00 24.13 C ATOM 286 CG PHE A 19 -3.604 -2.594 0.437 1.00 31.31 C ATOM 287 CD1 PHE A 19 -3.093 -1.307 0.409 1.00 44.13 C ATOM 288 CD2 PHE A 19 -4.973 -2.770 0.319 1.00 14.12 C ATOM 289 CE1 PHE A 19 -3.930 -0.216 0.265 1.00 65.33 C ATOM 290 CE2 PHE A 19 -5.815 -1.683 0.175 1.00 71.34 C ATOM 291 CZ PHE A 19 -5.293 -0.405 0.149 1.00 43.14 C ATOM 0 H PHE A 19 -2.003 -2.333 -1.646 1.00 43.42 H new ATOM 0 HA PHE A 19 -1.265 -4.961 -0.495 1.00 33.21 H new ATOM 0 HB2 PHE A 19 -3.262 -4.614 0.996 1.00 24.13 H new ATOM 0 HB3 PHE A 19 -1.919 -3.536 1.323 1.00 24.13 H new ATOM 0 HD1 PHE A 19 -2.028 -1.154 0.501 1.00 44.13 H new ATOM 0 HD2 PHE A 19 -5.387 -3.767 0.340 1.00 14.12 H new ATOM 0 HE1 PHE A 19 -3.519 0.782 0.243 1.00 65.33 H new ATOM 0 HE2 PHE A 19 -6.881 -1.833 0.083 1.00 71.34 H new ATOM 0 HZ PHE A 19 -5.950 0.445 0.038 1.00 43.14 H new ATOM 301 N THR A 20 -3.199 -6.151 -1.577 1.00 24.02 N ATOM 302 CA THR A 20 -4.153 -6.866 -2.414 1.00 73.12 C ATOM 303 C THR A 20 -4.683 -8.108 -1.707 1.00 21.13 C ATOM 304 O THR A 20 -3.910 -8.935 -1.221 1.00 33.41 O ATOM 305 CB THR A 20 -3.522 -7.283 -3.756 1.00 23.43 C ATOM 306 OG1 THR A 20 -2.500 -8.261 -3.533 1.00 24.12 O ATOM 307 CG2 THR A 20 -2.931 -6.079 -4.473 1.00 61.35 C ATOM 0 H THR A 20 -2.660 -6.747 -0.949 1.00 24.02 H new ATOM 0 HA THR A 20 -4.979 -6.181 -2.607 1.00 73.12 H new ATOM 0 HB THR A 20 -4.304 -7.711 -4.383 1.00 23.43 H new ATOM 0 HG1 THR A 20 -2.105 -8.522 -4.391 1.00 24.12 H new ATOM 0 HG21 THR A 20 -2.491 -6.398 -5.418 1.00 61.35 H new ATOM 0 HG22 THR A 20 -3.717 -5.349 -4.667 1.00 61.35 H new ATOM 0 HG23 THR A 20 -2.161 -5.626 -3.849 1.00 61.35 H new ATOM 315 N LEU A 21 -6.004 -8.234 -1.652 1.00 52.12 N ATOM 316 CA LEU A 21 -6.638 -9.377 -1.004 1.00 41.01 C ATOM 317 C LEU A 21 -7.855 -9.846 -1.795 1.00 12.52 C ATOM 318 O LEU A 21 -8.653 -9.035 -2.263 1.00 40.31 O ATOM 319 CB LEU A 21 -7.051 -9.014 0.423 1.00 34.33 C ATOM 320 CG LEU A 21 -7.698 -10.134 1.240 1.00 65.01 C ATOM 321 CD1 LEU A 21 -6.706 -10.704 2.243 1.00 52.52 C ATOM 322 CD2 LEU A 21 -8.944 -9.626 1.949 1.00 11.34 C ATOM 0 H LEU A 21 -6.657 -7.559 -2.048 1.00 52.12 H new ATOM 0 HA LEU A 21 -5.915 -10.192 -0.970 1.00 41.01 H new ATOM 0 HB2 LEU A 21 -6.168 -8.665 0.958 1.00 34.33 H new ATOM 0 HB3 LEU A 21 -7.747 -8.177 0.377 1.00 34.33 H new ATOM 0 HG LEU A 21 -7.993 -10.931 0.558 1.00 65.01 H new ATOM 0 HD11 LEU A 21 -7.184 -11.499 2.815 1.00 52.52 H new ATOM 0 HD12 LEU A 21 -5.843 -11.106 1.713 1.00 52.52 H new ATOM 0 HD13 LEU A 21 -6.380 -9.915 2.921 1.00 52.52 H new ATOM 0 HD21 LEU A 21 -9.391 -10.436 2.525 1.00 11.34 H new ATOM 0 HD22 LEU A 21 -8.674 -8.810 2.619 1.00 11.34 H new ATOM 0 HD23 LEU A 21 -9.662 -9.267 1.211 1.00 11.34 H new ATOM 334 N ASN A 22 -7.992 -11.160 -1.937 1.00 44.15 N ATOM 335 CA ASN A 22 -9.113 -11.737 -2.670 1.00 41.21 C ATOM 336 C ASN A 22 -10.332 -11.892 -1.765 1.00 64.35 C ATOM 337 O ASN A 22 -10.212 -12.303 -0.612 1.00 75.11 O ATOM 338 CB ASN A 22 -8.722 -13.095 -3.256 1.00 22.24 C ATOM 339 CG ASN A 22 -8.576 -14.164 -2.189 1.00 41.15 C ATOM 340 OD1 ASN A 22 -7.631 -14.145 -1.401 1.00 45.11 O ATOM 341 ND2 ASN A 22 -9.514 -15.103 -2.161 1.00 73.12 N ATOM 0 H ASN A 22 -7.341 -11.845 -1.554 1.00 44.15 H new ATOM 0 HA ASN A 22 -9.371 -11.059 -3.484 1.00 41.21 H new ATOM 0 HB2 ASN A 22 -9.476 -13.407 -3.978 1.00 22.24 H new ATOM 0 HB3 ASN A 22 -7.782 -12.997 -3.799 1.00 22.24 H new ATOM 0 HD21 ASN A 22 -9.469 -15.848 -1.466 1.00 73.12 H new ATOM 0 HD22 ASN A 22 -10.280 -15.079 -2.834 1.00 73.12 H new ATOM 348 N ASN A 23 -11.503 -11.561 -2.298 1.00 73.12 N ATOM 349 CA ASN A 23 -12.744 -11.664 -1.539 1.00 54.12 C ATOM 350 C ASN A 23 -12.614 -10.970 -0.187 1.00 20.02 C ATOM 351 O ASN A 23 -12.653 -11.602 0.869 1.00 12.33 O ATOM 352 CB ASN A 23 -13.123 -13.133 -1.337 1.00 41.41 C ATOM 353 CG ASN A 23 -14.619 -13.328 -1.180 1.00 45.12 C ATOM 354 OD1 ASN A 23 -15.098 -13.704 -0.110 1.00 42.14 O ATOM 355 ND2 ASN A 23 -15.364 -13.073 -2.249 1.00 43.23 N ATOM 0 H ASN A 23 -11.619 -11.219 -3.252 1.00 73.12 H new ATOM 0 HA ASN A 23 -13.531 -11.168 -2.108 1.00 54.12 H new ATOM 0 HB2 ASN A 23 -12.771 -13.717 -2.188 1.00 41.41 H new ATOM 0 HB3 ASN A 23 -12.614 -13.518 -0.453 1.00 41.41 H new ATOM 0 HD21 ASN A 23 -16.377 -13.187 -2.204 1.00 43.23 H new ATOM 0 HD22 ASN A 23 -14.924 -12.763 -3.115 1.00 43.23 H new ATOM 362 N PRO A 24 -12.456 -9.638 -0.218 1.00 24.53 N ATOM 363 CA PRO A 24 -12.317 -8.829 0.997 1.00 74.23 C ATOM 364 C PRO A 24 -13.615 -8.755 1.794 1.00 1.34 C ATOM 365 O PRO A 24 -14.705 -8.730 1.223 1.00 11.34 O ATOM 366 CB PRO A 24 -11.939 -7.446 0.460 1.00 33.34 C ATOM 367 CG PRO A 24 -12.493 -7.412 -0.922 1.00 41.12 C ATOM 368 CD PRO A 24 -12.400 -8.820 -1.441 1.00 21.32 C ATOM 0 HA PRO A 24 -11.584 -9.249 1.686 1.00 74.23 H new ATOM 0 HB2 PRO A 24 -12.363 -6.653 1.076 1.00 33.34 H new ATOM 0 HB3 PRO A 24 -10.858 -7.304 0.457 1.00 33.34 H new ATOM 0 HG2 PRO A 24 -13.526 -7.065 -0.920 1.00 41.12 H new ATOM 0 HG3 PRO A 24 -11.927 -6.726 -1.552 1.00 41.12 H new ATOM 0 HD2 PRO A 24 -13.221 -9.054 -2.119 1.00 21.32 H new ATOM 0 HD3 PRO A 24 -11.475 -8.985 -1.993 1.00 21.32 H new ATOM 376 N SER A 25 -13.490 -8.719 3.117 1.00 3.02 N ATOM 377 CA SER A 25 -14.653 -8.651 3.994 1.00 52.45 C ATOM 378 C SER A 25 -15.004 -7.202 4.319 1.00 42.21 C ATOM 379 O SER A 25 -14.161 -6.311 4.220 1.00 65.34 O ATOM 380 CB SER A 25 -14.391 -9.426 5.286 1.00 71.42 C ATOM 381 OG SER A 25 -15.175 -10.605 5.341 1.00 74.31 O ATOM 0 H SER A 25 -12.595 -8.736 3.605 1.00 3.02 H new ATOM 0 HA SER A 25 -15.497 -9.103 3.473 1.00 52.45 H new ATOM 0 HB2 SER A 25 -13.334 -9.685 5.351 1.00 71.42 H new ATOM 0 HB3 SER A 25 -14.618 -8.794 6.145 1.00 71.42 H new ATOM 0 HG SER A 25 -14.988 -11.084 6.176 1.00 74.31 H new ATOM 387 N GLU A 26 -16.255 -6.975 4.708 1.00 64.21 N ATOM 388 CA GLU A 26 -16.717 -5.635 5.047 1.00 14.32 C ATOM 389 C GLU A 26 -15.919 -5.063 6.215 1.00 10.22 C ATOM 390 O GLU A 26 -15.736 -3.850 6.321 1.00 22.01 O ATOM 391 CB GLU A 26 -18.207 -5.658 5.396 1.00 21.44 C ATOM 392 CG GLU A 26 -19.086 -4.981 4.359 1.00 52.13 C ATOM 393 CD GLU A 26 -20.525 -5.456 4.414 1.00 13.51 C ATOM 394 OE1 GLU A 26 -21.313 -4.875 5.190 1.00 24.44 O ATOM 395 OE2 GLU A 26 -20.864 -6.408 3.680 1.00 0.40 O ATOM 0 H GLU A 26 -16.966 -7.701 4.796 1.00 64.21 H new ATOM 0 HA GLU A 26 -16.564 -4.996 4.178 1.00 14.32 H new ATOM 0 HB2 GLU A 26 -18.528 -6.693 5.512 1.00 21.44 H new ATOM 0 HB3 GLU A 26 -18.353 -5.169 6.359 1.00 21.44 H new ATOM 0 HG2 GLU A 26 -19.057 -3.902 4.512 1.00 52.13 H new ATOM 0 HG3 GLU A 26 -18.682 -5.172 3.365 1.00 52.13 H new ATOM 402 N ASP A 27 -15.447 -5.945 7.090 1.00 53.35 N ATOM 403 CA ASP A 27 -14.668 -5.529 8.250 1.00 31.10 C ATOM 404 C ASP A 27 -13.246 -5.154 7.844 1.00 73.00 C ATOM 405 O ASP A 27 -12.698 -4.159 8.317 1.00 72.11 O ATOM 406 CB ASP A 27 -14.636 -6.645 9.295 1.00 23.05 C ATOM 407 CG ASP A 27 -13.558 -6.429 10.339 1.00 24.33 C ATOM 408 OD1 ASP A 27 -13.841 -5.761 11.356 1.00 64.11 O ATOM 409 OD2 ASP A 27 -12.431 -6.929 10.140 1.00 20.40 O ATOM 0 H ASP A 27 -15.591 -6.952 7.018 1.00 53.35 H new ATOM 0 HA ASP A 27 -15.146 -4.650 8.682 1.00 31.10 H new ATOM 0 HB2 ASP A 27 -15.607 -6.707 9.787 1.00 23.05 H new ATOM 0 HB3 ASP A 27 -14.470 -7.600 8.797 1.00 23.05 H new ATOM 414 N GLU A 28 -12.655 -5.958 6.966 1.00 73.41 N ATOM 415 CA GLU A 28 -11.296 -5.711 6.498 1.00 34.04 C ATOM 416 C GLU A 28 -11.227 -4.422 5.685 1.00 52.13 C ATOM 417 O GLU A 28 -10.367 -3.573 5.919 1.00 63.23 O ATOM 418 CB GLU A 28 -10.802 -6.887 5.654 1.00 22.30 C ATOM 419 CG GLU A 28 -9.464 -7.444 6.111 1.00 63.05 C ATOM 420 CD GLU A 28 -9.226 -8.862 5.627 1.00 13.44 C ATOM 421 OE1 GLU A 28 -10.210 -9.623 5.517 1.00 13.25 O ATOM 422 OE2 GLU A 28 -8.057 -9.210 5.360 1.00 54.13 O ATOM 0 H GLU A 28 -13.096 -6.786 6.564 1.00 73.41 H new ATOM 0 HA GLU A 28 -10.652 -5.604 7.371 1.00 34.04 H new ATOM 0 HB2 GLU A 28 -11.546 -7.683 5.683 1.00 22.30 H new ATOM 0 HB3 GLU A 28 -10.718 -6.568 4.615 1.00 22.30 H new ATOM 0 HG2 GLU A 28 -8.663 -6.801 5.747 1.00 63.05 H new ATOM 0 HG3 GLU A 28 -9.419 -7.423 7.200 1.00 63.05 H new ATOM 429 N ARG A 29 -12.139 -4.283 4.728 1.00 71.51 N ATOM 430 CA ARG A 29 -12.181 -3.100 3.878 1.00 50.31 C ATOM 431 C ARG A 29 -12.413 -1.841 4.709 1.00 23.44 C ATOM 432 O ARG A 29 -11.896 -0.770 4.391 1.00 12.14 O ATOM 433 CB ARG A 29 -13.284 -3.239 2.827 1.00 65.34 C ATOM 434 CG ARG A 29 -12.904 -4.139 1.662 1.00 42.34 C ATOM 435 CD ARG A 29 -14.131 -4.763 1.017 1.00 53.25 C ATOM 436 NE ARG A 29 -15.095 -3.754 0.585 1.00 72.24 N ATOM 437 CZ ARG A 29 -16.201 -4.038 -0.094 1.00 15.11 C ATOM 438 NH1 ARG A 29 -16.482 -5.293 -0.416 1.00 32.03 N ATOM 439 NH2 ARG A 29 -17.030 -3.065 -0.451 1.00 42.14 N ATOM 0 H ARG A 29 -12.859 -4.976 4.522 1.00 71.51 H new ATOM 0 HA ARG A 29 -11.218 -3.011 3.375 1.00 50.31 H new ATOM 0 HB2 ARG A 29 -14.181 -3.635 3.304 1.00 65.34 H new ATOM 0 HB3 ARG A 29 -13.536 -2.250 2.444 1.00 65.34 H new ATOM 0 HG2 ARG A 29 -12.355 -3.561 0.919 1.00 42.34 H new ATOM 0 HG3 ARG A 29 -12.236 -4.926 2.012 1.00 42.34 H new ATOM 0 HD2 ARG A 29 -13.825 -5.362 0.160 1.00 53.25 H new ATOM 0 HD3 ARG A 29 -14.608 -5.440 1.725 1.00 53.25 H new ATOM 0 HE ARG A 29 -14.909 -2.778 0.817 1.00 72.24 H new ATOM 0 HH11 ARG A 29 -15.848 -6.044 -0.142 1.00 32.03 H new ATOM 0 HH12 ARG A 29 -17.332 -5.508 -0.937 1.00 32.03 H new ATOM 0 HH21 ARG A 29 -16.818 -2.098 -0.204 1.00 42.14 H new ATOM 0 HH22 ARG A 29 -17.879 -3.284 -0.972 1.00 42.14 H new ATOM 453 N LYS A 30 -13.193 -1.979 5.776 1.00 52.41 N ATOM 454 CA LYS A 30 -13.494 -0.854 6.654 1.00 23.55 C ATOM 455 C LYS A 30 -12.260 -0.442 7.452 1.00 73.14 C ATOM 456 O LYS A 30 -12.043 0.742 7.711 1.00 70.21 O ATOM 457 CB LYS A 30 -14.633 -1.217 7.609 1.00 33.23 C ATOM 458 CG LYS A 30 -15.114 -0.050 8.454 1.00 53.14 C ATOM 459 CD LYS A 30 -15.923 -0.523 9.650 1.00 54.23 C ATOM 460 CE LYS A 30 -17.266 -1.096 9.223 1.00 52.31 C ATOM 461 NZ LYS A 30 -17.176 -2.550 8.916 1.00 73.04 N ATOM 0 H LYS A 30 -13.628 -2.859 6.054 1.00 52.41 H new ATOM 0 HA LYS A 30 -13.802 -0.013 6.033 1.00 23.55 H new ATOM 0 HB2 LYS A 30 -15.471 -1.605 7.030 1.00 33.23 H new ATOM 0 HB3 LYS A 30 -14.302 -2.019 8.268 1.00 33.23 H new ATOM 0 HG2 LYS A 30 -14.257 0.528 8.799 1.00 53.14 H new ATOM 0 HG3 LYS A 30 -15.722 0.616 7.843 1.00 53.14 H new ATOM 0 HD2 LYS A 30 -15.360 -1.280 10.195 1.00 54.23 H new ATOM 0 HD3 LYS A 30 -16.083 0.310 10.335 1.00 54.23 H new ATOM 0 HE2 LYS A 30 -17.997 -0.937 10.015 1.00 52.31 H new ATOM 0 HE3 LYS A 30 -17.626 -0.561 8.344 1.00 52.31 H new ATOM 0 HZ1 LYS A 30 -17.134 -2.685 7.886 1.00 73.04 H new ATOM 0 HZ2 LYS A 30 -16.318 -2.945 9.353 1.00 73.04 H new ATOM 0 HZ3 LYS A 30 -18.013 -3.037 9.295 1.00 73.04 H new ATOM 475 N LYS A 31 -11.454 -1.426 7.837 1.00 54.41 N ATOM 476 CA LYS A 31 -10.241 -1.166 8.602 1.00 2.31 C ATOM 477 C LYS A 31 -9.259 -0.322 7.795 1.00 20.12 C ATOM 478 O LYS A 31 -8.765 0.699 8.274 1.00 50.44 O ATOM 479 CB LYS A 31 -9.580 -2.484 9.012 1.00 1.45 C ATOM 480 CG LYS A 31 -8.208 -2.306 9.640 1.00 32.53 C ATOM 481 CD LYS A 31 -7.120 -2.939 8.790 1.00 44.15 C ATOM 482 CE LYS A 31 -6.661 -4.268 9.369 1.00 22.22 C ATOM 483 NZ LYS A 31 -7.807 -5.177 9.647 1.00 31.32 N ATOM 0 H LYS A 31 -11.620 -2.411 7.631 1.00 54.41 H new ATOM 0 HA LYS A 31 -10.518 -0.611 9.498 1.00 2.31 H new ATOM 0 HB2 LYS A 31 -10.229 -3.002 9.718 1.00 1.45 H new ATOM 0 HB3 LYS A 31 -9.488 -3.124 8.134 1.00 1.45 H new ATOM 0 HG2 LYS A 31 -8.000 -1.244 9.767 1.00 32.53 H new ATOM 0 HG3 LYS A 31 -8.201 -2.753 10.634 1.00 32.53 H new ATOM 0 HD2 LYS A 31 -7.491 -3.092 7.777 1.00 44.15 H new ATOM 0 HD3 LYS A 31 -6.271 -2.259 8.719 1.00 44.15 H new ATOM 0 HE2 LYS A 31 -5.976 -4.750 8.672 1.00 22.22 H new ATOM 0 HE3 LYS A 31 -6.106 -4.091 10.290 1.00 22.22 H new ATOM 0 HZ1 LYS A 31 -7.470 -6.161 9.678 1.00 31.32 H new ATOM 0 HZ2 LYS A 31 -8.233 -4.928 10.562 1.00 31.32 H new ATOM 0 HZ3 LYS A 31 -8.519 -5.078 8.895 1.00 31.32 H new ATOM 497 N ILE A 32 -8.982 -0.755 6.570 1.00 50.11 N ATOM 498 CA ILE A 32 -8.061 -0.037 5.697 1.00 75.43 C ATOM 499 C ILE A 32 -8.653 1.295 5.250 1.00 54.01 C ATOM 500 O ILE A 32 -7.938 2.287 5.106 1.00 31.35 O ATOM 501 CB ILE A 32 -7.702 -0.870 4.452 1.00 51.12 C ATOM 502 CG1 ILE A 32 -7.427 -2.323 4.845 1.00 53.21 C ATOM 503 CG2 ILE A 32 -6.497 -0.270 3.743 1.00 3.04 C ATOM 504 CD1 ILE A 32 -6.943 -3.178 3.695 1.00 21.54 C ATOM 0 H ILE A 32 -9.382 -1.599 6.159 1.00 50.11 H new ATOM 0 HA ILE A 32 -7.156 0.147 6.275 1.00 75.43 H new ATOM 0 HB ILE A 32 -8.548 -0.853 3.766 1.00 51.12 H new ATOM 0 HG12 ILE A 32 -6.681 -2.341 5.640 1.00 53.21 H new ATOM 0 HG13 ILE A 32 -8.339 -2.759 5.253 1.00 53.21 H new ATOM 0 HG21 ILE A 32 -6.255 -0.870 2.865 1.00 3.04 H new ATOM 0 HG22 ILE A 32 -6.727 0.750 3.434 1.00 3.04 H new ATOM 0 HG23 ILE A 32 -5.644 -0.259 4.421 1.00 3.04 H new ATOM 0 HD11 ILE A 32 -6.768 -4.195 4.046 1.00 21.54 H new ATOM 0 HD12 ILE A 32 -7.697 -3.190 2.908 1.00 21.54 H new ATOM 0 HD13 ILE A 32 -6.014 -2.766 3.301 1.00 21.54 H new ATOM 516 N ARG A 33 -9.965 1.311 5.033 1.00 25.12 N ATOM 517 CA ARG A 33 -10.653 2.522 4.603 1.00 33.24 C ATOM 518 C ARG A 33 -10.785 3.511 5.758 1.00 42.24 C ATOM 519 O ARG A 33 -10.978 4.708 5.543 1.00 14.05 O ATOM 520 CB ARG A 33 -12.038 2.178 4.052 1.00 32.01 C ATOM 521 CG ARG A 33 -12.878 3.398 3.710 1.00 44.01 C ATOM 522 CD ARG A 33 -13.931 3.074 2.662 1.00 64.42 C ATOM 523 NE ARG A 33 -15.189 2.644 3.265 1.00 32.32 N ATOM 524 CZ ARG A 33 -16.041 3.473 3.859 1.00 64.23 C ATOM 525 NH1 ARG A 33 -15.770 4.769 3.928 1.00 61.14 N ATOM 526 NH2 ARG A 33 -17.166 3.006 4.384 1.00 22.24 N ATOM 0 H ARG A 33 -10.572 0.499 5.148 1.00 25.12 H new ATOM 0 HA ARG A 33 -10.061 2.987 3.815 1.00 33.24 H new ATOM 0 HB2 ARG A 33 -11.922 1.565 3.158 1.00 32.01 H new ATOM 0 HB3 ARG A 33 -12.572 1.574 4.786 1.00 32.01 H new ATOM 0 HG2 ARG A 33 -13.363 3.771 4.612 1.00 44.01 H new ATOM 0 HG3 ARG A 33 -12.231 4.195 3.343 1.00 44.01 H new ATOM 0 HD2 ARG A 33 -14.108 3.953 2.042 1.00 64.42 H new ATOM 0 HD3 ARG A 33 -13.558 2.290 2.004 1.00 64.42 H new ATOM 0 HE ARG A 33 -15.427 1.653 3.228 1.00 32.32 H new ATOM 0 HH11 ARG A 33 -14.906 5.132 3.525 1.00 61.14 H new ATOM 0 HH12 ARG A 33 -16.425 5.403 4.384 1.00 61.14 H new ATOM 0 HH21 ARG A 33 -17.378 2.010 4.332 1.00 22.24 H new ATOM 0 HH22 ARG A 33 -17.819 3.643 4.840 1.00 22.24 H new ATOM 540 N ASP A 34 -10.679 3.003 6.980 1.00 1.04 N ATOM 541 CA ASP A 34 -10.785 3.842 8.169 1.00 73.42 C ATOM 542 C ASP A 34 -9.405 4.166 8.730 1.00 4.13 C ATOM 543 O ASP A 34 -9.282 4.729 9.819 1.00 20.22 O ATOM 544 CB ASP A 34 -11.633 3.146 9.235 1.00 1.34 C ATOM 545 CG ASP A 34 -13.098 3.073 8.853 1.00 32.14 C ATOM 546 OD1 ASP A 34 -13.421 3.356 7.681 1.00 41.45 O ATOM 547 OD2 ASP A 34 -13.922 2.731 9.727 1.00 11.20 O ATOM 0 H ASP A 34 -10.520 2.014 7.174 1.00 1.04 H new ATOM 0 HA ASP A 34 -11.269 4.776 7.883 1.00 73.42 H new ATOM 0 HB2 ASP A 34 -11.252 2.138 9.397 1.00 1.34 H new ATOM 0 HB3 ASP A 34 -11.533 3.680 10.180 1.00 1.34 H new ATOM 552 N LEU A 35 -8.368 3.807 7.981 1.00 2.14 N ATOM 553 CA LEU A 35 -6.995 4.059 8.405 1.00 44.14 C ATOM 554 C LEU A 35 -6.711 5.556 8.469 1.00 2.44 C ATOM 555 O LEU A 35 -7.410 6.372 7.868 1.00 2.21 O ATOM 556 CB LEU A 35 -6.013 3.383 7.446 1.00 5.31 C ATOM 557 CG LEU A 35 -5.719 1.907 7.717 1.00 42.24 C ATOM 558 CD1 LEU A 35 -4.869 1.319 6.601 1.00 73.12 C ATOM 559 CD2 LEU A 35 -5.027 1.739 9.062 1.00 71.15 C ATOM 0 H LEU A 35 -8.452 3.341 7.078 1.00 2.14 H new ATOM 0 HA LEU A 35 -6.866 3.640 9.403 1.00 44.14 H new ATOM 0 HB2 LEU A 35 -6.404 3.475 6.433 1.00 5.31 H new ATOM 0 HB3 LEU A 35 -5.072 3.932 7.475 1.00 5.31 H new ATOM 0 HG LEU A 35 -6.666 1.367 7.748 1.00 42.24 H new ATOM 0 HD11 LEU A 35 -4.670 0.268 6.811 1.00 73.12 H new ATOM 0 HD12 LEU A 35 -5.402 1.405 5.654 1.00 73.12 H new ATOM 0 HD13 LEU A 35 -3.926 1.862 6.538 1.00 73.12 H new ATOM 0 HD21 LEU A 35 -4.826 0.682 9.238 1.00 71.15 H new ATOM 0 HD22 LEU A 35 -4.088 2.292 9.059 1.00 71.15 H new ATOM 0 HD23 LEU A 35 -5.671 2.122 9.853 1.00 71.15 H new ATOM 571 N PRO A 36 -5.659 5.928 9.214 1.00 31.14 N ATOM 572 CA PRO A 36 -5.257 7.329 9.373 1.00 22.41 C ATOM 573 C PRO A 36 -4.679 7.915 8.089 1.00 20.35 C ATOM 574 O PRO A 36 -3.684 7.417 7.562 1.00 70.22 O ATOM 575 CB PRO A 36 -4.184 7.268 10.464 1.00 52.15 C ATOM 576 CG PRO A 36 -3.634 5.886 10.378 1.00 52.33 C ATOM 577 CD PRO A 36 -4.781 5.009 9.959 1.00 55.22 C ATOM 0 HA PRO A 36 -6.102 7.970 9.623 1.00 22.41 H new ATOM 0 HB2 PRO A 36 -3.407 8.014 10.297 1.00 52.15 H new ATOM 0 HB3 PRO A 36 -4.609 7.464 11.448 1.00 52.15 H new ATOM 0 HG2 PRO A 36 -2.819 5.835 9.656 1.00 52.33 H new ATOM 0 HG3 PRO A 36 -3.229 5.567 11.338 1.00 52.33 H new ATOM 0 HD2 PRO A 36 -4.446 4.180 9.336 1.00 55.22 H new ATOM 0 HD3 PRO A 36 -5.291 4.576 10.820 1.00 55.22 H new ATOM 585 N ILE A 37 -5.308 8.974 7.593 1.00 52.32 N ATOM 586 CA ILE A 37 -4.855 9.629 6.372 1.00 62.42 C ATOM 587 C ILE A 37 -3.544 10.373 6.601 1.00 11.33 C ATOM 588 O ILE A 37 -2.702 10.459 5.708 1.00 61.34 O ATOM 589 CB ILE A 37 -5.908 10.618 5.839 1.00 62.03 C ATOM 590 CG1 ILE A 37 -6.370 11.556 6.956 1.00 64.01 C ATOM 591 CG2 ILE A 37 -7.091 9.865 5.249 1.00 50.33 C ATOM 592 CD1 ILE A 37 -7.267 12.674 6.474 1.00 73.13 C ATOM 0 H ILE A 37 -6.133 9.397 8.018 1.00 52.32 H new ATOM 0 HA ILE A 37 -4.700 8.844 5.632 1.00 62.42 H new ATOM 0 HB ILE A 37 -5.455 11.219 5.050 1.00 62.03 H new ATOM 0 HG12 ILE A 37 -6.900 10.975 7.711 1.00 64.01 H new ATOM 0 HG13 ILE A 37 -5.495 11.987 7.442 1.00 64.01 H new ATOM 0 HG21 ILE A 37 -7.827 10.578 4.876 1.00 50.33 H new ATOM 0 HG22 ILE A 37 -6.748 9.235 4.428 1.00 50.33 H new ATOM 0 HG23 ILE A 37 -7.547 9.242 6.019 1.00 50.33 H new ATOM 0 HD11 ILE A 37 -7.556 13.299 7.319 1.00 73.13 H new ATOM 0 HD12 ILE A 37 -6.733 13.279 5.741 1.00 73.13 H new ATOM 0 HD13 ILE A 37 -8.160 12.251 6.014 1.00 73.13 H new ATOM 604 N SER A 38 -3.378 10.910 7.806 1.00 23.31 N ATOM 605 CA SER A 38 -2.170 11.649 8.153 1.00 0.34 C ATOM 606 C SER A 38 -0.962 10.720 8.213 1.00 22.51 C ATOM 607 O SER A 38 0.185 11.169 8.189 1.00 14.51 O ATOM 608 CB SER A 38 -2.349 12.358 9.497 1.00 32.04 C ATOM 609 OG SER A 38 -2.859 11.471 10.478 1.00 72.23 O ATOM 0 H SER A 38 -4.065 10.847 8.558 1.00 23.31 H new ATOM 0 HA SER A 38 -1.995 12.394 7.377 1.00 0.34 H new ATOM 0 HB2 SER A 38 -1.392 12.761 9.829 1.00 32.04 H new ATOM 0 HB3 SER A 38 -3.027 13.203 9.378 1.00 32.04 H new ATOM 0 HG SER A 38 -2.963 11.948 11.328 1.00 72.23 H new ATOM 615 N LEU A 39 -1.227 9.420 8.291 1.00 42.10 N ATOM 616 CA LEU A 39 -0.162 8.425 8.354 1.00 32.31 C ATOM 617 C LEU A 39 0.421 8.163 6.969 1.00 22.23 C ATOM 618 O LEU A 39 1.592 7.805 6.835 1.00 53.32 O ATOM 619 CB LEU A 39 -0.692 7.120 8.952 1.00 41.11 C ATOM 620 CG LEU A 39 0.259 6.377 9.891 1.00 42.21 C ATOM 621 CD1 LEU A 39 -0.510 5.748 11.042 1.00 12.41 C ATOM 622 CD2 LEU A 39 1.042 5.318 9.129 1.00 40.14 C ATOM 0 H LEU A 39 -2.170 9.031 8.312 1.00 42.10 H new ATOM 0 HA LEU A 39 0.630 8.816 8.993 1.00 32.31 H new ATOM 0 HB2 LEU A 39 -1.610 7.340 9.497 1.00 41.11 H new ATOM 0 HB3 LEU A 39 -0.959 6.451 8.134 1.00 41.11 H new ATOM 0 HG LEU A 39 0.966 7.096 10.304 1.00 42.21 H new ATOM 0 HD11 LEU A 39 0.184 5.224 11.699 1.00 12.41 H new ATOM 0 HD12 LEU A 39 -1.025 6.527 11.604 1.00 12.41 H new ATOM 0 HD13 LEU A 39 -1.241 5.042 10.648 1.00 12.41 H new ATOM 0 HD21 LEU A 39 1.714 4.799 9.813 1.00 40.14 H new ATOM 0 HD22 LEU A 39 0.350 4.601 8.687 1.00 40.14 H new ATOM 0 HD23 LEU A 39 1.624 5.794 8.340 1.00 40.14 H new ATOM 634 N PHE A 40 -0.402 8.345 5.942 1.00 2.00 N ATOM 635 CA PHE A 40 0.033 8.130 4.567 1.00 72.32 C ATOM 636 C PHE A 40 -0.232 9.366 3.713 1.00 44.41 C ATOM 637 O PHE A 40 -1.382 9.743 3.486 1.00 65.01 O ATOM 638 CB PHE A 40 -0.685 6.919 3.966 1.00 24.25 C ATOM 639 CG PHE A 40 -0.842 5.777 4.930 1.00 43.04 C ATOM 640 CD1 PHE A 40 -1.943 5.707 5.768 1.00 63.02 C ATOM 641 CD2 PHE A 40 0.111 4.774 4.996 1.00 23.53 C ATOM 642 CE1 PHE A 40 -2.089 4.658 6.655 1.00 32.24 C ATOM 643 CE2 PHE A 40 -0.030 3.722 5.882 1.00 60.53 C ATOM 644 CZ PHE A 40 -1.132 3.663 6.712 1.00 53.24 C ATOM 0 H PHE A 40 -1.374 8.641 6.036 1.00 2.00 H new ATOM 0 HA PHE A 40 1.106 7.940 4.578 1.00 72.32 H new ATOM 0 HB2 PHE A 40 -1.670 7.227 3.616 1.00 24.25 H new ATOM 0 HB3 PHE A 40 -0.131 6.574 3.093 1.00 24.25 H new ATOM 0 HD1 PHE A 40 -2.695 6.481 5.727 1.00 63.02 H new ATOM 0 HD2 PHE A 40 0.974 4.814 4.348 1.00 23.53 H new ATOM 0 HE1 PHE A 40 -2.951 4.616 7.304 1.00 32.24 H new ATOM 0 HE2 PHE A 40 0.721 2.947 5.925 1.00 60.53 H new ATOM 0 HZ PHE A 40 -1.246 2.841 7.404 1.00 53.24 H new ATOM 654 N ASP A 41 0.841 9.994 3.243 1.00 20.13 N ATOM 655 CA ASP A 41 0.726 11.188 2.414 1.00 24.01 C ATOM 656 C ASP A 41 -0.234 10.953 1.252 1.00 23.42 C ATOM 657 O ASP A 41 -0.901 11.877 0.788 1.00 14.24 O ATOM 658 CB ASP A 41 2.100 11.599 1.882 1.00 61.24 C ATOM 659 CG ASP A 41 2.943 12.296 2.931 1.00 1.02 C ATOM 660 OD1 ASP A 41 2.368 13.027 3.764 1.00 53.43 O ATOM 661 OD2 ASP A 41 4.178 12.111 2.920 1.00 43.04 O ATOM 0 H ASP A 41 1.800 9.696 3.422 1.00 20.13 H new ATOM 0 HA ASP A 41 0.328 11.993 3.032 1.00 24.01 H new ATOM 0 HB2 ASP A 41 2.628 10.714 1.525 1.00 61.24 H new ATOM 0 HB3 ASP A 41 1.971 12.261 1.025 1.00 61.24 H new ATOM 666 N TYR A 42 -0.297 9.710 0.786 1.00 2.32 N ATOM 667 CA TYR A 42 -1.172 9.354 -0.324 1.00 13.00 C ATOM 668 C TYR A 42 -1.881 8.030 -0.056 1.00 23.32 C ATOM 669 O TYR A 42 -1.240 7.009 0.195 1.00 63.11 O ATOM 670 CB TYR A 42 -0.371 9.263 -1.624 1.00 32.42 C ATOM 671 CG TYR A 42 -1.209 8.893 -2.827 1.00 31.12 C ATOM 672 CD1 TYR A 42 -2.492 9.401 -2.987 1.00 14.33 C ATOM 673 CD2 TYR A 42 -0.718 8.035 -3.803 1.00 34.41 C ATOM 674 CE1 TYR A 42 -3.262 9.066 -4.084 1.00 31.22 C ATOM 675 CE2 TYR A 42 -1.480 7.695 -4.904 1.00 33.21 C ATOM 676 CZ TYR A 42 -2.751 8.213 -5.040 1.00 35.32 C ATOM 677 OH TYR A 42 -3.514 7.876 -6.134 1.00 71.55 O ATOM 0 H TYR A 42 0.248 8.933 1.160 1.00 2.32 H new ATOM 0 HA TYR A 42 -1.926 10.135 -0.424 1.00 13.00 H new ATOM 0 HB2 TYR A 42 0.114 10.221 -1.810 1.00 32.42 H new ATOM 0 HB3 TYR A 42 0.421 8.524 -1.502 1.00 32.42 H new ATOM 0 HD1 TYR A 42 -2.895 10.070 -2.241 1.00 14.33 H new ATOM 0 HD2 TYR A 42 0.276 7.627 -3.699 1.00 34.41 H new ATOM 0 HE1 TYR A 42 -4.258 9.469 -4.192 1.00 31.22 H new ATOM 0 HE2 TYR A 42 -1.083 7.027 -5.654 1.00 33.21 H new ATOM 0 HH TYR A 42 -4.462 8.014 -5.927 1.00 71.55 H new ATOM 687 N PHE A 43 -3.208 8.055 -0.111 1.00 72.52 N ATOM 688 CA PHE A 43 -4.006 6.857 0.126 1.00 62.13 C ATOM 689 C PHE A 43 -5.094 6.710 -0.934 1.00 22.41 C ATOM 690 O PHE A 43 -6.001 7.537 -1.027 1.00 3.53 O ATOM 691 CB PHE A 43 -4.638 6.907 1.518 1.00 22.43 C ATOM 692 CG PHE A 43 -4.704 5.567 2.195 1.00 40.23 C ATOM 693 CD1 PHE A 43 -4.719 4.400 1.449 1.00 61.41 C ATOM 694 CD2 PHE A 43 -4.752 5.476 3.576 1.00 22.25 C ATOM 695 CE1 PHE A 43 -4.779 3.165 2.068 1.00 13.42 C ATOM 696 CE2 PHE A 43 -4.812 4.244 4.201 1.00 2.53 C ATOM 697 CZ PHE A 43 -4.827 3.088 3.446 1.00 21.13 C ATOM 0 H PHE A 43 -3.754 8.891 -0.318 1.00 72.52 H new ATOM 0 HA PHE A 43 -3.345 5.992 0.065 1.00 62.13 H new ATOM 0 HB2 PHE A 43 -4.067 7.593 2.143 1.00 22.43 H new ATOM 0 HB3 PHE A 43 -5.646 7.314 1.436 1.00 22.43 H new ATOM 0 HD1 PHE A 43 -4.683 4.455 0.371 1.00 61.41 H new ATOM 0 HD2 PHE A 43 -4.742 6.377 4.171 1.00 22.25 H new ATOM 0 HE1 PHE A 43 -4.788 2.262 1.475 1.00 13.42 H new ATOM 0 HE2 PHE A 43 -4.847 4.186 5.279 1.00 2.53 H new ATOM 0 HZ PHE A 43 -4.876 2.125 3.932 1.00 21.13 H new ATOM 707 N ILE A 44 -4.996 5.651 -1.731 1.00 23.12 N ATOM 708 CA ILE A 44 -5.971 5.395 -2.783 1.00 61.43 C ATOM 709 C ILE A 44 -6.343 3.917 -2.840 1.00 34.04 C ATOM 710 O ILE A 44 -5.496 3.061 -3.095 1.00 51.22 O ATOM 711 CB ILE A 44 -5.440 5.831 -4.161 1.00 42.54 C ATOM 712 CG1 ILE A 44 -6.326 5.270 -5.275 1.00 53.31 C ATOM 713 CG2 ILE A 44 -4.000 5.376 -4.343 1.00 22.42 C ATOM 714 CD1 ILE A 44 -6.521 6.226 -6.431 1.00 73.14 C ATOM 0 H ILE A 44 -4.251 4.957 -1.668 1.00 23.12 H new ATOM 0 HA ILE A 44 -6.857 5.982 -2.541 1.00 61.43 H new ATOM 0 HB ILE A 44 -5.466 6.919 -4.215 1.00 42.54 H new ATOM 0 HG12 ILE A 44 -5.885 4.346 -5.649 1.00 53.31 H new ATOM 0 HG13 ILE A 44 -7.300 5.013 -4.859 1.00 53.31 H new ATOM 0 HG21 ILE A 44 -3.640 5.692 -5.322 1.00 22.42 H new ATOM 0 HG22 ILE A 44 -3.377 5.820 -3.566 1.00 22.42 H new ATOM 0 HG23 ILE A 44 -3.950 4.290 -4.271 1.00 22.42 H new ATOM 0 HD11 ILE A 44 -7.159 5.762 -7.183 1.00 73.14 H new ATOM 0 HD12 ILE A 44 -6.991 7.141 -6.071 1.00 73.14 H new ATOM 0 HD13 ILE A 44 -5.554 6.464 -6.873 1.00 73.14 H new ATOM 726 N VAL A 45 -7.618 3.624 -2.601 1.00 2.03 N ATOM 727 CA VAL A 45 -8.104 2.250 -2.627 1.00 73.20 C ATOM 728 C VAL A 45 -9.244 2.089 -3.627 1.00 43.21 C ATOM 729 O VAL A 45 -10.067 2.988 -3.796 1.00 63.10 O ATOM 730 CB VAL A 45 -8.589 1.799 -1.236 1.00 52.42 C ATOM 731 CG1 VAL A 45 -8.653 0.282 -1.159 1.00 32.44 C ATOM 732 CG2 VAL A 45 -7.684 2.359 -0.150 1.00 2.44 C ATOM 0 H VAL A 45 -8.332 4.320 -2.387 1.00 2.03 H new ATOM 0 HA VAL A 45 -7.265 1.624 -2.932 1.00 73.20 H new ATOM 0 HB VAL A 45 -9.594 2.189 -1.076 1.00 52.42 H new ATOM 0 HG11 VAL A 45 -8.998 -0.018 -0.169 1.00 32.44 H new ATOM 0 HG12 VAL A 45 -9.346 -0.092 -1.913 1.00 32.44 H new ATOM 0 HG13 VAL A 45 -7.662 -0.134 -1.339 1.00 32.44 H new ATOM 0 HG21 VAL A 45 -8.041 2.031 0.826 1.00 2.44 H new ATOM 0 HG22 VAL A 45 -6.666 2.000 -0.304 1.00 2.44 H new ATOM 0 HG23 VAL A 45 -7.695 3.448 -0.193 1.00 2.44 H new ATOM 742 N GLY A 46 -9.285 0.936 -4.289 1.00 15.55 N ATOM 743 CA GLY A 46 -10.328 0.678 -5.264 1.00 15.30 C ATOM 744 C GLY A 46 -10.846 -0.745 -5.196 1.00 53.42 C ATOM 745 O GLY A 46 -10.155 -1.641 -4.713 1.00 40.41 O ATOM 0 H GLY A 46 -8.615 0.177 -4.167 1.00 15.55 H new ATOM 0 HA2 GLY A 46 -11.154 1.370 -5.100 1.00 15.30 H new ATOM 0 HA3 GLY A 46 -9.942 0.874 -6.265 1.00 15.30 H new ATOM 749 N GLU A 47 -12.067 -0.952 -5.680 1.00 60.31 N ATOM 750 CA GLU A 47 -12.677 -2.277 -5.669 1.00 51.34 C ATOM 751 C GLU A 47 -12.512 -2.963 -7.023 1.00 13.44 C ATOM 752 O GLU A 47 -12.734 -2.354 -8.069 1.00 22.11 O ATOM 753 CB GLU A 47 -14.162 -2.176 -5.314 1.00 40.40 C ATOM 754 CG GLU A 47 -14.748 -3.469 -4.773 1.00 4.15 C ATOM 755 CD GLU A 47 -16.057 -3.254 -4.039 1.00 32.10 C ATOM 756 OE1 GLU A 47 -16.465 -2.084 -3.881 1.00 64.41 O ATOM 757 OE2 GLU A 47 -16.675 -4.257 -3.623 1.00 41.11 O ATOM 0 H GLU A 47 -12.652 -0.221 -6.084 1.00 60.31 H new ATOM 0 HA GLU A 47 -12.170 -2.876 -4.913 1.00 51.34 H new ATOM 0 HB2 GLU A 47 -14.297 -1.388 -4.573 1.00 40.40 H new ATOM 0 HB3 GLU A 47 -14.720 -1.878 -6.202 1.00 40.40 H new ATOM 0 HG2 GLU A 47 -14.908 -4.164 -5.597 1.00 4.15 H new ATOM 0 HG3 GLU A 47 -14.030 -3.935 -4.098 1.00 4.15 H new ATOM 875 N PRO A 56 -15.199 -10.538 -5.905 1.00 71.31 N ATOM 876 CA PRO A 56 -14.690 -9.213 -5.539 1.00 20.31 C ATOM 877 C PRO A 56 -13.295 -9.277 -4.927 1.00 63.20 C ATOM 878 O PRO A 56 -13.010 -10.139 -4.095 1.00 23.11 O ATOM 879 CB PRO A 56 -15.705 -8.717 -4.506 1.00 44.50 C ATOM 880 CG PRO A 56 -16.290 -9.956 -3.924 1.00 35.32 C ATOM 881 CD PRO A 56 -16.307 -10.968 -5.036 1.00 33.21 C ATOM 0 HA PRO A 56 -14.590 -8.560 -6.406 1.00 20.31 H new ATOM 0 HB2 PRO A 56 -15.225 -8.108 -3.740 1.00 44.50 H new ATOM 0 HB3 PRO A 56 -16.472 -8.098 -4.971 1.00 44.50 H new ATOM 0 HG2 PRO A 56 -15.695 -10.311 -3.083 1.00 35.32 H new ATOM 0 HG3 PRO A 56 -17.296 -9.773 -3.548 1.00 35.32 H new ATOM 0 HD2 PRO A 56 -16.154 -11.980 -4.661 1.00 33.21 H new ATOM 0 HD3 PRO A 56 -17.259 -10.965 -5.567 1.00 33.21 H new ATOM 889 N HIS A 57 -12.428 -8.360 -5.344 1.00 11.52 N ATOM 890 CA HIS A 57 -11.062 -8.311 -4.835 1.00 61.33 C ATOM 891 C HIS A 57 -10.676 -6.887 -4.450 1.00 5.51 C ATOM 892 O HIS A 57 -11.055 -5.926 -5.121 1.00 62.14 O ATOM 893 CB HIS A 57 -10.086 -8.851 -5.882 1.00 35.45 C ATOM 894 CG HIS A 57 -8.649 -8.601 -5.546 1.00 4.14 C ATOM 895 ND1 HIS A 57 -7.818 -9.570 -5.023 1.00 11.54 N ATOM 896 CD2 HIS A 57 -7.894 -7.483 -5.663 1.00 22.45 C ATOM 897 CE1 HIS A 57 -6.615 -9.058 -4.831 1.00 32.23 C ATOM 898 NE2 HIS A 57 -6.634 -7.794 -5.212 1.00 14.45 N ATOM 0 H HIS A 57 -12.647 -7.641 -6.033 1.00 11.52 H new ATOM 0 HA HIS A 57 -11.010 -8.936 -3.943 1.00 61.33 H new ATOM 0 HB2 HIS A 57 -10.243 -9.924 -5.994 1.00 35.45 H new ATOM 0 HB3 HIS A 57 -10.310 -8.394 -6.846 1.00 35.45 H new ATOM 0 HD1 HIS A 57 -8.090 -10.531 -4.817 1.00 11.54 H new ATOM 0 HD2 HIS A 57 -8.221 -6.525 -6.040 1.00 22.45 H new ATOM 0 HE1 HIS A 57 -5.761 -9.584 -4.430 1.00 32.23 H new ATOM 906 N LEU A 58 -9.920 -6.757 -3.365 1.00 11.40 N ATOM 907 CA LEU A 58 -9.483 -5.449 -2.889 1.00 43.34 C ATOM 908 C LEU A 58 -8.104 -5.102 -3.442 1.00 1.42 C ATOM 909 O LEU A 58 -7.137 -5.832 -3.227 1.00 74.51 O ATOM 910 CB LEU A 58 -9.453 -5.424 -1.360 1.00 50.12 C ATOM 911 CG LEU A 58 -9.994 -4.156 -0.699 1.00 11.11 C ATOM 912 CD1 LEU A 58 -9.711 -4.171 0.795 1.00 2.42 C ATOM 913 CD2 LEU A 58 -9.390 -2.918 -1.346 1.00 14.22 C ATOM 0 H LEU A 58 -9.597 -7.541 -2.798 1.00 11.40 H new ATOM 0 HA LEU A 58 -10.195 -4.704 -3.244 1.00 43.34 H new ATOM 0 HB2 LEU A 58 -10.026 -6.275 -0.991 1.00 50.12 H new ATOM 0 HB3 LEU A 58 -8.423 -5.568 -1.034 1.00 50.12 H new ATOM 0 HG LEU A 58 -11.074 -4.126 -0.843 1.00 11.11 H new ATOM 0 HD11 LEU A 58 -10.103 -3.261 1.249 1.00 2.42 H new ATOM 0 HD12 LEU A 58 -10.192 -5.038 1.248 1.00 2.42 H new ATOM 0 HD13 LEU A 58 -8.635 -4.225 0.961 1.00 2.42 H new ATOM 0 HD21 LEU A 58 -9.786 -2.025 -0.863 1.00 14.22 H new ATOM 0 HD22 LEU A 58 -8.306 -2.941 -1.233 1.00 14.22 H new ATOM 0 HD23 LEU A 58 -9.644 -2.900 -2.406 1.00 14.22 H new ATOM 925 N GLN A 59 -8.021 -3.981 -4.152 1.00 35.02 N ATOM 926 CA GLN A 59 -6.760 -3.537 -4.733 1.00 53.32 C ATOM 927 C GLN A 59 -6.565 -2.038 -4.529 1.00 62.00 C ATOM 928 O GLN A 59 -7.296 -1.224 -5.091 1.00 72.12 O ATOM 929 CB GLN A 59 -6.717 -3.870 -6.225 1.00 61.15 C ATOM 930 CG GLN A 59 -5.581 -3.187 -6.969 1.00 5.32 C ATOM 931 CD GLN A 59 -4.215 -3.607 -6.461 1.00 52.21 C ATOM 932 OE1 GLN A 59 -3.679 -4.638 -6.868 1.00 40.33 O ATOM 933 NE2 GLN A 59 -3.644 -2.808 -5.567 1.00 34.22 N ATOM 0 H GLN A 59 -8.812 -3.364 -4.338 1.00 35.02 H new ATOM 0 HA GLN A 59 -5.950 -4.063 -4.227 1.00 53.32 H new ATOM 0 HB2 GLN A 59 -6.622 -4.949 -6.345 1.00 61.15 H new ATOM 0 HB3 GLN A 59 -7.664 -3.581 -6.681 1.00 61.15 H new ATOM 0 HG2 GLN A 59 -5.656 -3.419 -8.031 1.00 5.32 H new ATOM 0 HG3 GLN A 59 -5.685 -2.106 -6.870 1.00 5.32 H new ATOM 0 HE21 GLN A 59 -4.124 -1.963 -5.258 1.00 34.22 H new ATOM 0 HE22 GLN A 59 -2.725 -3.039 -5.190 1.00 34.22 H new ATOM 942 N GLY A 60 -5.572 -1.680 -3.720 1.00 33.33 N ATOM 943 CA GLY A 60 -5.299 -0.280 -3.455 1.00 42.12 C ATOM 944 C GLY A 60 -3.834 -0.020 -3.162 1.00 74.32 C ATOM 945 O GLY A 60 -3.064 -0.954 -2.938 1.00 3.12 O ATOM 0 H GLY A 60 -4.952 -2.335 -3.244 1.00 33.33 H new ATOM 0 HA2 GLY A 60 -5.606 0.316 -4.315 1.00 42.12 H new ATOM 0 HA3 GLY A 60 -5.900 0.050 -2.608 1.00 42.12 H new ATOM 949 N PHE A 61 -3.448 1.251 -3.166 1.00 13.24 N ATOM 950 CA PHE A 61 -2.065 1.631 -2.901 1.00 35.02 C ATOM 951 C PHE A 61 -1.996 2.731 -1.846 1.00 11.14 C ATOM 952 O PHE A 61 -2.817 3.648 -1.835 1.00 4.11 O ATOM 953 CB PHE A 61 -1.388 2.101 -4.189 1.00 43.35 C ATOM 954 CG PHE A 61 -0.113 2.860 -3.954 1.00 12.21 C ATOM 955 CD1 PHE A 61 0.936 2.280 -3.260 1.00 21.43 C ATOM 956 CD2 PHE A 61 0.036 4.154 -4.427 1.00 60.21 C ATOM 957 CE1 PHE A 61 2.110 2.976 -3.041 1.00 14.10 C ATOM 958 CE2 PHE A 61 1.207 4.855 -4.212 1.00 5.22 C ATOM 959 CZ PHE A 61 2.246 4.265 -3.519 1.00 30.04 C ATOM 0 H PHE A 61 -4.073 2.036 -3.350 1.00 13.24 H new ATOM 0 HA PHE A 61 -1.540 0.755 -2.521 1.00 35.02 H new ATOM 0 HB2 PHE A 61 -1.175 1.235 -4.815 1.00 43.35 H new ATOM 0 HB3 PHE A 61 -2.081 2.733 -4.744 1.00 43.35 H new ATOM 0 HD1 PHE A 61 0.835 1.272 -2.886 1.00 21.43 H new ATOM 0 HD2 PHE A 61 -0.773 4.620 -4.970 1.00 60.21 H new ATOM 0 HE1 PHE A 61 2.920 2.513 -2.497 1.00 14.10 H new ATOM 0 HE2 PHE A 61 1.310 5.863 -4.585 1.00 5.22 H new ATOM 0 HZ PHE A 61 3.163 4.810 -3.351 1.00 30.04 H new ATOM 969 N ALA A 62 -1.011 2.631 -0.959 1.00 42.34 N ATOM 970 CA ALA A 62 -0.833 3.617 0.099 1.00 5.50 C ATOM 971 C ALA A 62 0.635 4.004 0.248 1.00 61.20 C ATOM 972 O ALA A 62 1.501 3.143 0.396 1.00 62.35 O ATOM 973 CB ALA A 62 -1.376 3.083 1.416 1.00 62.43 C ATOM 0 H ALA A 62 -0.324 1.877 -0.953 1.00 42.34 H new ATOM 0 HA ALA A 62 -1.392 4.512 -0.175 1.00 5.50 H new ATOM 0 HB1 ALA A 62 -1.236 3.830 2.197 1.00 62.43 H new ATOM 0 HB2 ALA A 62 -2.438 2.864 1.309 1.00 62.43 H new ATOM 0 HB3 ALA A 62 -0.843 2.171 1.686 1.00 62.43 H new ATOM 979 N ASN A 63 0.907 5.304 0.208 1.00 40.14 N ATOM 980 CA ASN A 63 2.271 5.804 0.337 1.00 51.11 C ATOM 981 C ASN A 63 2.593 6.137 1.791 1.00 71.43 C ATOM 982 O ASN A 63 1.988 7.031 2.383 1.00 64.12 O ATOM 983 CB ASN A 63 2.467 7.045 -0.537 1.00 75.31 C ATOM 984 CG ASN A 63 3.897 7.548 -0.515 1.00 70.31 C ATOM 985 OD1 ASN A 63 4.458 7.811 0.549 1.00 70.52 O ATOM 986 ND2 ASN A 63 4.494 7.684 -1.693 1.00 41.33 N ATOM 0 H ASN A 63 0.201 6.030 0.087 1.00 40.14 H new ATOM 0 HA ASN A 63 2.951 5.021 0.002 1.00 51.11 H new ATOM 0 HB2 ASN A 63 2.183 6.812 -1.563 1.00 75.31 H new ATOM 0 HB3 ASN A 63 1.801 7.837 -0.194 1.00 75.31 H new ATOM 0 HD21 ASN A 63 5.456 8.018 -1.741 1.00 41.33 H new ATOM 0 HD22 ASN A 63 3.990 7.454 -2.550 1.00 41.33 H new ATOM 993 N PHE A 64 3.550 5.411 2.360 1.00 74.10 N ATOM 994 CA PHE A 64 3.952 5.628 3.745 1.00 43.14 C ATOM 995 C PHE A 64 4.700 6.950 3.893 1.00 55.23 C ATOM 996 O PHE A 64 5.648 7.226 3.158 1.00 24.33 O ATOM 997 CB PHE A 64 4.833 4.474 4.229 1.00 42.43 C ATOM 998 CG PHE A 64 4.125 3.527 5.155 1.00 42.41 C ATOM 999 CD1 PHE A 64 4.082 3.773 6.518 1.00 42.11 C ATOM 1000 CD2 PHE A 64 3.502 2.392 4.663 1.00 62.03 C ATOM 1001 CE1 PHE A 64 3.432 2.903 7.372 1.00 21.24 C ATOM 1002 CE2 PHE A 64 2.850 1.518 5.512 1.00 1.23 C ATOM 1003 CZ PHE A 64 2.814 1.775 6.869 1.00 62.31 C ATOM 0 H PHE A 64 4.061 4.668 1.884 1.00 74.10 H new ATOM 0 HA PHE A 64 3.051 5.670 4.357 1.00 43.14 H new ATOM 0 HB2 PHE A 64 5.198 3.919 3.365 1.00 42.43 H new ATOM 0 HB3 PHE A 64 5.706 4.883 4.738 1.00 42.43 H new ATOM 0 HD1 PHE A 64 4.562 4.654 6.917 1.00 42.11 H new ATOM 0 HD2 PHE A 64 3.526 2.188 3.603 1.00 62.03 H new ATOM 0 HE1 PHE A 64 3.407 3.105 8.433 1.00 21.24 H new ATOM 0 HE2 PHE A 64 2.370 0.636 5.115 1.00 1.23 H new ATOM 0 HZ PHE A 64 2.304 1.095 7.535 1.00 62.31 H new ATOM 1013 N VAL A 65 4.264 7.766 4.848 1.00 71.50 N ATOM 1014 CA VAL A 65 4.891 9.059 5.094 1.00 73.31 C ATOM 1015 C VAL A 65 6.358 8.895 5.474 1.00 61.23 C ATOM 1016 O VAL A 65 7.165 9.806 5.287 1.00 30.21 O ATOM 1017 CB VAL A 65 4.165 9.830 6.212 1.00 4.43 C ATOM 1018 CG1 VAL A 65 4.956 11.069 6.606 1.00 20.33 C ATOM 1019 CG2 VAL A 65 2.757 10.204 5.774 1.00 22.25 C ATOM 0 H VAL A 65 3.479 7.554 5.464 1.00 71.50 H new ATOM 0 HA VAL A 65 4.821 9.627 4.166 1.00 73.31 H new ATOM 0 HB VAL A 65 4.089 9.183 7.086 1.00 4.43 H new ATOM 0 HG11 VAL A 65 4.428 11.601 7.397 1.00 20.33 H new ATOM 0 HG12 VAL A 65 5.942 10.773 6.964 1.00 20.33 H new ATOM 0 HG13 VAL A 65 5.065 11.722 5.740 1.00 20.33 H new ATOM 0 HG21 VAL A 65 2.259 10.748 6.576 1.00 22.25 H new ATOM 0 HG22 VAL A 65 2.807 10.833 4.886 1.00 22.25 H new ATOM 0 HG23 VAL A 65 2.194 9.299 5.546 1.00 22.25 H new ATOM 1029 N LYS A 66 6.698 7.727 6.008 1.00 63.32 N ATOM 1030 CA LYS A 66 8.069 7.441 6.413 1.00 23.52 C ATOM 1031 C LYS A 66 8.562 6.140 5.787 1.00 72.05 C ATOM 1032 O LYS A 66 7.869 5.529 4.973 1.00 54.35 O ATOM 1033 CB LYS A 66 8.164 7.352 7.938 1.00 2.30 C ATOM 1034 CG LYS A 66 7.094 6.475 8.564 1.00 23.23 C ATOM 1035 CD LYS A 66 5.895 7.293 9.014 1.00 23.42 C ATOM 1036 CE LYS A 66 6.047 7.757 10.455 1.00 55.44 C ATOM 1037 NZ LYS A 66 5.238 8.977 10.732 1.00 44.15 N ATOM 0 H LYS A 66 6.042 6.963 6.170 1.00 63.32 H new ATOM 0 HA LYS A 66 8.702 8.256 6.062 1.00 23.52 H new ATOM 0 HB2 LYS A 66 9.145 6.964 8.210 1.00 2.30 H new ATOM 0 HB3 LYS A 66 8.091 8.355 8.357 1.00 2.30 H new ATOM 0 HG2 LYS A 66 6.772 5.722 7.844 1.00 23.23 H new ATOM 0 HG3 LYS A 66 7.513 5.942 9.417 1.00 23.23 H new ATOM 0 HD2 LYS A 66 5.778 8.159 8.362 1.00 23.42 H new ATOM 0 HD3 LYS A 66 4.988 6.696 8.916 1.00 23.42 H new ATOM 0 HE2 LYS A 66 5.740 6.957 11.129 1.00 55.44 H new ATOM 0 HE3 LYS A 66 7.097 7.963 10.662 1.00 55.44 H new ATOM 0 HZ1 LYS A 66 5.368 9.262 11.724 1.00 44.15 H new ATOM 0 HZ2 LYS A 66 5.548 9.748 10.107 1.00 44.15 H new ATOM 0 HZ3 LYS A 66 4.233 8.774 10.559 1.00 44.15 H new ATOM 1051 N LYS A 67 9.762 5.720 6.172 1.00 41.32 N ATOM 1052 CA LYS A 67 10.347 4.491 5.650 1.00 30.44 C ATOM 1053 C LYS A 67 9.945 3.292 6.504 1.00 3.35 C ATOM 1054 O LYS A 67 10.201 3.264 7.708 1.00 64.52 O ATOM 1055 CB LYS A 67 11.872 4.607 5.602 1.00 41.51 C ATOM 1056 CG LYS A 67 12.443 4.534 4.196 1.00 24.25 C ATOM 1057 CD LYS A 67 12.579 5.914 3.576 1.00 15.33 C ATOM 1058 CE LYS A 67 13.856 6.036 2.760 1.00 1.00 C ATOM 1059 NZ LYS A 67 14.322 7.447 2.667 1.00 44.22 N ATOM 0 H LYS A 67 10.349 6.213 6.845 1.00 41.32 H new ATOM 0 HA LYS A 67 9.968 4.339 4.639 1.00 30.44 H new ATOM 0 HB2 LYS A 67 12.171 5.551 6.058 1.00 41.51 H new ATOM 0 HB3 LYS A 67 12.308 3.810 6.204 1.00 41.51 H new ATOM 0 HG2 LYS A 67 13.419 4.049 4.224 1.00 24.25 H new ATOM 0 HG3 LYS A 67 11.797 3.916 3.572 1.00 24.25 H new ATOM 0 HD2 LYS A 67 11.718 6.114 2.938 1.00 15.33 H new ATOM 0 HD3 LYS A 67 12.575 6.669 4.362 1.00 15.33 H new ATOM 0 HE2 LYS A 67 14.636 5.425 3.213 1.00 1.00 H new ATOM 0 HE3 LYS A 67 13.685 5.643 1.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 15.195 7.488 2.103 1.00 44.22 H new ATOM 0 HZ2 LYS A 67 13.588 8.026 2.211 1.00 44.22 H new ATOM 0 HZ3 LYS A 67 14.509 7.814 3.622 1.00 44.22 H new ATOM 1073 N GLN A 68 9.317 2.306 5.874 1.00 74.24 N ATOM 1074 CA GLN A 68 8.881 1.105 6.577 1.00 40.11 C ATOM 1075 C GLN A 68 9.227 -0.148 5.780 1.00 23.31 C ATOM 1076 O GLN A 68 9.354 -0.104 4.556 1.00 60.11 O ATOM 1077 CB GLN A 68 7.374 1.159 6.836 1.00 25.25 C ATOM 1078 CG GLN A 68 6.957 2.289 7.763 1.00 13.20 C ATOM 1079 CD GLN A 68 7.623 2.206 9.122 1.00 10.32 C ATOM 1080 OE1 GLN A 68 8.199 1.179 9.482 1.00 2.43 O ATOM 1081 NE2 GLN A 68 7.548 3.290 9.886 1.00 51.13 N ATOM 0 H GLN A 68 9.098 2.314 4.878 1.00 74.24 H new ATOM 0 HA GLN A 68 9.405 1.063 7.532 1.00 40.11 H new ATOM 0 HB2 GLN A 68 6.854 1.270 5.885 1.00 25.25 H new ATOM 0 HB3 GLN A 68 7.053 0.210 7.266 1.00 25.25 H new ATOM 0 HG2 GLN A 68 7.204 3.244 7.299 1.00 13.20 H new ATOM 0 HG3 GLN A 68 5.875 2.268 7.891 1.00 13.20 H new ATOM 0 HE21 GLN A 68 7.061 4.120 9.548 1.00 51.13 H new ATOM 0 HE22 GLN A 68 7.978 3.293 10.811 1.00 51.13 H new ATOM 1090 N THR A 69 9.380 -1.267 6.482 1.00 11.13 N ATOM 1091 CA THR A 69 9.713 -2.532 5.841 1.00 21.51 C ATOM 1092 C THR A 69 8.457 -3.337 5.527 1.00 21.33 C ATOM 1093 O THR A 69 7.357 -2.978 5.946 1.00 34.04 O ATOM 1094 CB THR A 69 10.646 -3.382 6.725 1.00 11.31 C ATOM 1095 OG1 THR A 69 9.893 -4.012 7.767 1.00 21.14 O ATOM 1096 CG2 THR A 69 11.744 -2.523 7.334 1.00 62.20 C ATOM 0 H THR A 69 9.278 -1.322 7.495 1.00 11.13 H new ATOM 0 HA THR A 69 10.227 -2.289 4.911 1.00 21.51 H new ATOM 0 HB THR A 69 11.108 -4.145 6.099 1.00 11.31 H new ATOM 0 HG1 THR A 69 10.493 -4.552 8.323 1.00 21.14 H new ATOM 0 HG21 THR A 69 12.390 -3.144 7.954 1.00 62.20 H new ATOM 0 HG22 THR A 69 12.333 -2.068 6.538 1.00 62.20 H new ATOM 0 HG23 THR A 69 11.296 -1.741 7.947 1.00 62.20 H new ATOM 1104 N PHE A 70 8.628 -4.428 4.788 1.00 24.31 N ATOM 1105 CA PHE A 70 7.508 -5.285 4.418 1.00 54.41 C ATOM 1106 C PHE A 70 6.844 -5.878 5.657 1.00 11.13 C ATOM 1107 O PHE A 70 5.634 -5.757 5.844 1.00 1.14 O ATOM 1108 CB PHE A 70 7.980 -6.407 3.492 1.00 61.22 C ATOM 1109 CG PHE A 70 7.009 -7.548 3.389 1.00 72.12 C ATOM 1110 CD1 PHE A 70 5.782 -7.377 2.767 1.00 24.30 C ATOM 1111 CD2 PHE A 70 7.322 -8.791 3.914 1.00 31.43 C ATOM 1112 CE1 PHE A 70 4.886 -8.425 2.670 1.00 23.32 C ATOM 1113 CE2 PHE A 70 6.430 -9.843 3.820 1.00 21.10 C ATOM 1114 CZ PHE A 70 5.210 -9.659 3.198 1.00 24.54 C ATOM 0 H PHE A 70 9.532 -4.740 4.433 1.00 24.31 H new ATOM 0 HA PHE A 70 6.775 -4.674 3.892 1.00 54.41 H new ATOM 0 HB2 PHE A 70 8.153 -5.997 2.497 1.00 61.22 H new ATOM 0 HB3 PHE A 70 8.937 -6.786 3.852 1.00 61.22 H new ATOM 0 HD1 PHE A 70 5.523 -6.414 2.353 1.00 24.30 H new ATOM 0 HD2 PHE A 70 8.274 -8.940 4.402 1.00 31.43 H new ATOM 0 HE1 PHE A 70 3.934 -8.279 2.182 1.00 23.32 H new ATOM 0 HE2 PHE A 70 6.686 -10.808 4.232 1.00 21.10 H new ATOM 0 HZ PHE A 70 4.511 -10.479 3.125 1.00 24.54 H new ATOM 1124 N ASN A 71 7.646 -6.520 6.500 1.00 32.24 N ATOM 1125 CA ASN A 71 7.137 -7.134 7.722 1.00 50.13 C ATOM 1126 C ASN A 71 6.512 -6.086 8.638 1.00 45.23 C ATOM 1127 O ASN A 71 5.458 -6.313 9.231 1.00 12.31 O ATOM 1128 CB ASN A 71 8.262 -7.865 8.457 1.00 42.20 C ATOM 1129 CG ASN A 71 7.969 -9.341 8.640 1.00 24.51 C ATOM 1130 OD1 ASN A 71 7.759 -9.810 9.759 1.00 51.20 O ATOM 1131 ND2 ASN A 71 7.955 -10.083 7.538 1.00 2.34 N ATOM 0 H ASN A 71 8.650 -6.629 6.360 1.00 32.24 H new ATOM 0 HA ASN A 71 6.367 -7.853 7.444 1.00 50.13 H new ATOM 0 HB2 ASN A 71 9.192 -7.748 7.900 1.00 42.20 H new ATOM 0 HB3 ASN A 71 8.415 -7.404 9.433 1.00 42.20 H new ATOM 0 HD21 ASN A 71 7.765 -11.083 7.599 1.00 2.34 H new ATOM 0 HD22 ASN A 71 8.134 -9.652 6.631 1.00 2.34 H new ATOM 1138 N LYS A 72 7.171 -4.937 8.748 1.00 54.21 N ATOM 1139 CA LYS A 72 6.681 -3.852 9.590 1.00 53.45 C ATOM 1140 C LYS A 72 5.359 -3.306 9.059 1.00 50.42 C ATOM 1141 O LYS A 72 4.392 -3.159 9.806 1.00 55.02 O ATOM 1142 CB LYS A 72 7.717 -2.728 9.662 1.00 14.53 C ATOM 1143 CG LYS A 72 7.713 -1.982 10.985 1.00 1.25 C ATOM 1144 CD LYS A 72 6.338 -1.418 11.304 1.00 25.12 C ATOM 1145 CE LYS A 72 6.375 -0.521 12.532 1.00 31.21 C ATOM 1146 NZ LYS A 72 7.026 -1.193 13.691 1.00 62.14 N ATOM 0 H LYS A 72 8.046 -4.733 8.265 1.00 54.21 H new ATOM 0 HA LYS A 72 6.514 -4.249 10.591 1.00 53.45 H new ATOM 0 HB2 LYS A 72 8.709 -3.148 9.494 1.00 14.53 H new ATOM 0 HB3 LYS A 72 7.530 -2.020 8.855 1.00 14.53 H new ATOM 0 HG2 LYS A 72 8.025 -2.655 11.784 1.00 1.25 H new ATOM 0 HG3 LYS A 72 8.440 -1.171 10.948 1.00 1.25 H new ATOM 0 HD2 LYS A 72 5.969 -0.851 10.449 1.00 25.12 H new ATOM 0 HD3 LYS A 72 5.638 -2.236 11.471 1.00 25.12 H new ATOM 0 HE2 LYS A 72 6.913 0.397 12.295 1.00 31.21 H new ATOM 0 HE3 LYS A 72 5.359 -0.234 12.803 1.00 31.21 H new ATOM 0 HZ1 LYS A 72 6.854 -0.640 14.555 1.00 62.14 H new ATOM 0 HZ2 LYS A 72 6.630 -2.148 13.806 1.00 62.14 H new ATOM 0 HZ3 LYS A 72 8.050 -1.261 13.522 1.00 62.14 H new ATOM 1160 N VAL A 73 5.324 -3.007 7.764 1.00 64.32 N ATOM 1161 CA VAL A 73 4.120 -2.480 7.133 1.00 65.14 C ATOM 1162 C VAL A 73 2.924 -3.390 7.386 1.00 53.01 C ATOM 1163 O VAL A 73 1.776 -2.946 7.364 1.00 53.52 O ATOM 1164 CB VAL A 73 4.311 -2.312 5.614 1.00 50.45 C ATOM 1165 CG1 VAL A 73 2.973 -2.073 4.931 1.00 71.24 C ATOM 1166 CG2 VAL A 73 5.278 -1.174 5.321 1.00 21.42 C ATOM 0 H VAL A 73 6.116 -3.121 7.131 1.00 64.32 H new ATOM 0 HA VAL A 73 3.930 -1.503 7.578 1.00 65.14 H new ATOM 0 HB VAL A 73 4.737 -3.233 5.215 1.00 50.45 H new ATOM 0 HG11 VAL A 73 3.128 -1.957 3.858 1.00 71.24 H new ATOM 0 HG12 VAL A 73 2.315 -2.923 5.113 1.00 71.24 H new ATOM 0 HG13 VAL A 73 2.516 -1.168 5.332 1.00 71.24 H new ATOM 0 HG21 VAL A 73 5.401 -1.070 4.243 1.00 21.42 H new ATOM 0 HG22 VAL A 73 4.883 -0.245 5.733 1.00 21.42 H new ATOM 0 HG23 VAL A 73 6.244 -1.391 5.777 1.00 21.42 H new ATOM 1176 N LYS A 74 3.199 -4.667 7.627 1.00 22.21 N ATOM 1177 CA LYS A 74 2.146 -5.642 7.887 1.00 42.22 C ATOM 1178 C LYS A 74 1.407 -5.312 9.180 1.00 71.43 C ATOM 1179 O LYS A 74 0.348 -5.873 9.460 1.00 74.41 O ATOM 1180 CB LYS A 74 2.736 -7.051 7.969 1.00 25.32 C ATOM 1181 CG LYS A 74 3.479 -7.474 6.714 1.00 44.03 C ATOM 1182 CD LYS A 74 3.102 -8.884 6.291 1.00 45.13 C ATOM 1183 CE LYS A 74 2.026 -8.874 5.216 1.00 32.44 C ATOM 1184 NZ LYS A 74 1.793 -10.233 4.653 1.00 52.13 N ATOM 0 H LYS A 74 4.143 -5.052 7.648 1.00 22.21 H new ATOM 0 HA LYS A 74 1.435 -5.601 7.062 1.00 42.22 H new ATOM 0 HB2 LYS A 74 3.417 -7.102 8.819 1.00 25.32 H new ATOM 0 HB3 LYS A 74 1.932 -7.762 8.162 1.00 25.32 H new ATOM 0 HG2 LYS A 74 3.255 -6.778 5.905 1.00 44.03 H new ATOM 0 HG3 LYS A 74 4.553 -7.421 6.891 1.00 44.03 H new ATOM 0 HD2 LYS A 74 3.986 -9.402 5.918 1.00 45.13 H new ATOM 0 HD3 LYS A 74 2.747 -9.442 7.157 1.00 45.13 H new ATOM 0 HE2 LYS A 74 1.096 -8.490 5.636 1.00 32.44 H new ATOM 0 HE3 LYS A 74 2.318 -8.194 4.416 1.00 32.44 H new ATOM 0 HZ1 LYS A 74 0.770 -10.409 4.582 1.00 52.13 H new ATOM 0 HZ2 LYS A 74 2.222 -10.295 3.708 1.00 52.13 H new ATOM 0 HZ3 LYS A 74 2.224 -10.945 5.276 1.00 52.13 H new ATOM 1198 N TRP A 75 1.971 -4.400 9.962 1.00 2.41 N ATOM 1199 CA TRP A 75 1.364 -3.995 11.225 1.00 52.11 C ATOM 1200 C TRP A 75 0.070 -3.225 10.985 1.00 71.14 C ATOM 1201 O TRP A 75 -0.773 -3.115 11.876 1.00 62.44 O ATOM 1202 CB TRP A 75 2.340 -3.137 12.032 1.00 33.20 C ATOM 1203 CG TRP A 75 2.419 -1.719 11.555 1.00 53.43 C ATOM 1204 CD1 TRP A 75 2.418 -1.289 10.258 1.00 5.14 C ATOM 1205 CD2 TRP A 75 2.511 -0.544 12.369 1.00 63.53 C ATOM 1206 NE1 TRP A 75 2.505 0.082 10.218 1.00 64.15 N ATOM 1207 CE2 TRP A 75 2.563 0.562 11.499 1.00 53.40 C ATOM 1208 CE3 TRP A 75 2.554 -0.320 13.747 1.00 33.14 C ATOM 1209 CZ2 TRP A 75 2.656 1.871 11.965 1.00 54.21 C ATOM 1210 CZ3 TRP A 75 2.646 0.979 14.208 1.00 2.32 C ATOM 1211 CH2 TRP A 75 2.695 2.062 13.319 1.00 25.55 C ATOM 0 H TRP A 75 2.848 -3.926 9.744 1.00 2.41 H new ATOM 0 HA TRP A 75 1.129 -4.896 11.792 1.00 52.11 H new ATOM 0 HB2 TRP A 75 2.038 -3.144 13.079 1.00 33.20 H new ATOM 0 HB3 TRP A 75 3.332 -3.585 11.983 1.00 33.20 H new ATOM 0 HD1 TRP A 75 2.358 -1.932 9.392 1.00 5.14 H new ATOM 0 HE1 TRP A 75 2.523 0.650 9.371 1.00 64.15 H new ATOM 0 HE3 TRP A 75 2.516 -1.148 14.440 1.00 33.14 H new ATOM 0 HZ2 TRP A 75 2.696 2.706 11.281 1.00 54.21 H new ATOM 0 HZ3 TRP A 75 2.681 1.163 15.272 1.00 2.32 H new ATOM 0 HH2 TRP A 75 2.765 3.066 13.711 1.00 25.55 H new ATOM 1222 N TYR A 76 -0.082 -2.694 9.777 1.00 63.04 N ATOM 1223 CA TYR A 76 -1.273 -1.932 9.421 1.00 61.34 C ATOM 1224 C TYR A 76 -2.092 -2.665 8.363 1.00 74.41 C ATOM 1225 O TYR A 76 -3.301 -2.851 8.515 1.00 65.40 O ATOM 1226 CB TYR A 76 -0.883 -0.545 8.908 1.00 25.01 C ATOM 1227 CG TYR A 76 -1.079 0.554 9.928 1.00 43.35 C ATOM 1228 CD1 TYR A 76 -2.210 0.588 10.733 1.00 22.15 C ATOM 1229 CD2 TYR A 76 -0.132 1.559 10.085 1.00 1.12 C ATOM 1230 CE1 TYR A 76 -2.393 1.591 11.665 1.00 33.14 C ATOM 1231 CE2 TYR A 76 -0.306 2.565 11.016 1.00 54.33 C ATOM 1232 CZ TYR A 76 -1.439 2.577 11.803 1.00 41.10 C ATOM 1233 OH TYR A 76 -1.617 3.577 12.731 1.00 13.12 O ATOM 0 H TYR A 76 0.605 -2.777 9.028 1.00 63.04 H new ATOM 0 HA TYR A 76 -1.884 -1.822 10.317 1.00 61.34 H new ATOM 0 HB2 TYR A 76 0.162 -0.561 8.600 1.00 25.01 H new ATOM 0 HB3 TYR A 76 -1.473 -0.316 8.021 1.00 25.01 H new ATOM 0 HD1 TYR A 76 -2.959 -0.183 10.629 1.00 22.15 H new ATOM 0 HD2 TYR A 76 0.755 1.554 9.469 1.00 1.12 H new ATOM 0 HE1 TYR A 76 -3.279 1.603 12.283 1.00 33.14 H new ATOM 0 HE2 TYR A 76 0.441 3.337 11.127 1.00 54.33 H new ATOM 0 HH TYR A 76 -0.808 3.665 13.277 1.00 13.12 H new ATOM 1243 N LEU A 77 -1.427 -3.080 7.291 1.00 64.31 N ATOM 1244 CA LEU A 77 -2.091 -3.794 6.206 1.00 33.54 C ATOM 1245 C LEU A 77 -2.432 -5.222 6.623 1.00 53.33 C ATOM 1246 O LEU A 77 -3.189 -5.914 5.943 1.00 44.34 O ATOM 1247 CB LEU A 77 -1.203 -3.813 4.961 1.00 4.24 C ATOM 1248 CG LEU A 77 -0.958 -2.460 4.292 1.00 62.24 C ATOM 1249 CD1 LEU A 77 -0.096 -2.628 3.050 1.00 50.32 C ATOM 1250 CD2 LEU A 77 -2.279 -1.792 3.940 1.00 71.31 C ATOM 0 H LEU A 77 -0.427 -2.934 7.150 1.00 64.31 H new ATOM 0 HA LEU A 77 -3.019 -3.270 5.974 1.00 33.54 H new ATOM 0 HB2 LEU A 77 -0.238 -4.241 5.233 1.00 4.24 H new ATOM 0 HB3 LEU A 77 -1.653 -4.482 4.228 1.00 4.24 H new ATOM 0 HG LEU A 77 -0.426 -1.819 4.995 1.00 62.24 H new ATOM 0 HD11 LEU A 77 0.068 -1.655 2.587 1.00 50.32 H new ATOM 0 HD12 LEU A 77 0.863 -3.064 3.329 1.00 50.32 H new ATOM 0 HD13 LEU A 77 -0.601 -3.286 2.343 1.00 50.32 H new ATOM 0 HD21 LEU A 77 -2.085 -0.830 3.465 1.00 71.31 H new ATOM 0 HD22 LEU A 77 -2.838 -2.429 3.255 1.00 71.31 H new ATOM 0 HD23 LEU A 77 -2.862 -1.637 4.848 1.00 71.31 H new ATOM 1262 N GLY A 78 -1.870 -5.655 7.747 1.00 61.31 N ATOM 1263 CA GLY A 78 -2.128 -6.997 8.236 1.00 71.11 C ATOM 1264 C GLY A 78 -1.538 -8.065 7.337 1.00 70.31 C ATOM 1265 O GLY A 78 -1.307 -7.830 6.151 1.00 21.03 O ATOM 0 H GLY A 78 -1.241 -5.101 8.328 1.00 61.31 H new ATOM 0 HA2 GLY A 78 -1.714 -7.101 9.239 1.00 71.11 H new ATOM 0 HA3 GLY A 78 -3.204 -7.150 8.318 1.00 71.11 H new ATOM 1269 N ALA A 79 -1.292 -9.243 7.902 1.00 10.32 N ATOM 1270 CA ALA A 79 -0.725 -10.351 7.144 1.00 55.14 C ATOM 1271 C ALA A 79 -1.768 -10.975 6.222 1.00 30.34 C ATOM 1272 O ALA A 79 -1.432 -11.535 5.179 1.00 70.52 O ATOM 1273 CB ALA A 79 -0.156 -11.400 8.087 1.00 11.11 C ATOM 0 H ALA A 79 -1.477 -9.454 8.883 1.00 10.32 H new ATOM 0 HA ALA A 79 0.082 -9.960 6.525 1.00 55.14 H new ATOM 0 HB1 ALA A 79 0.264 -12.221 7.507 1.00 11.11 H new ATOM 0 HB2 ALA A 79 0.626 -10.952 8.700 1.00 11.11 H new ATOM 0 HB3 ALA A 79 -0.950 -11.779 8.731 1.00 11.11 H new ATOM 1279 N ARG A 80 -3.034 -10.876 6.615 1.00 3.33 N ATOM 1280 CA ARG A 80 -4.125 -11.433 5.825 1.00 10.33 C ATOM 1281 C ARG A 80 -4.073 -10.920 4.389 1.00 14.01 C ATOM 1282 O ARG A 80 -4.265 -11.682 3.440 1.00 3.43 O ATOM 1283 CB ARG A 80 -5.473 -11.078 6.457 1.00 64.14 C ATOM 1284 CG ARG A 80 -5.563 -11.424 7.934 1.00 40.11 C ATOM 1285 CD ARG A 80 -6.927 -11.994 8.290 1.00 22.41 C ATOM 1286 NE ARG A 80 -7.130 -13.324 7.720 1.00 0.41 N ATOM 1287 CZ ARG A 80 -8.282 -13.982 7.784 1.00 24.40 C ATOM 1288 NH1 ARG A 80 -9.328 -13.438 8.389 1.00 10.13 N ATOM 1289 NH2 ARG A 80 -8.388 -15.188 7.241 1.00 34.52 N ATOM 0 H ARG A 80 -3.329 -10.415 7.476 1.00 3.33 H new ATOM 0 HA ARG A 80 -4.013 -12.517 5.809 1.00 10.33 H new ATOM 0 HB2 ARG A 80 -5.654 -10.011 6.331 1.00 64.14 H new ATOM 0 HB3 ARG A 80 -6.265 -11.601 5.921 1.00 64.14 H new ATOM 0 HG2 ARG A 80 -4.788 -12.147 8.187 1.00 40.11 H new ATOM 0 HG3 ARG A 80 -5.373 -10.531 8.530 1.00 40.11 H new ATOM 0 HD2 ARG A 80 -7.027 -12.045 9.374 1.00 22.41 H new ATOM 0 HD3 ARG A 80 -7.706 -11.322 7.929 1.00 22.41 H new ATOM 0 HE ARG A 80 -6.345 -13.771 7.247 1.00 0.41 H new ATOM 0 HH11 ARG A 80 -9.250 -12.511 8.807 1.00 10.13 H new ATOM 0 HH12 ARG A 80 -10.211 -13.946 8.436 1.00 10.13 H new ATOM 0 HH21 ARG A 80 -7.585 -15.610 6.775 1.00 34.52 H new ATOM 0 HH22 ARG A 80 -9.273 -15.693 7.290 1.00 34.52 H new ATOM 1303 N CYS A 81 -3.814 -9.626 4.238 1.00 54.05 N ATOM 1304 CA CYS A 81 -3.739 -9.011 2.917 1.00 0.11 C ATOM 1305 C CYS A 81 -2.312 -9.051 2.379 1.00 33.32 C ATOM 1306 O CYS A 81 -1.358 -8.755 3.099 1.00 63.44 O ATOM 1307 CB CYS A 81 -4.234 -7.565 2.976 1.00 21.01 C ATOM 1308 SG CYS A 81 -5.795 -7.355 3.863 1.00 14.11 S ATOM 0 H CYS A 81 -3.653 -8.983 5.013 1.00 54.05 H new ATOM 0 HA CYS A 81 -4.379 -9.579 2.242 1.00 0.11 H new ATOM 0 HB2 CYS A 81 -3.471 -6.950 3.454 1.00 21.01 H new ATOM 0 HB3 CYS A 81 -4.353 -7.191 1.959 1.00 21.01 H new ATOM 0 HG CYS A 81 -5.574 -6.755 4.995 1.00 14.11 H new ATOM 1314 N HIS A 82 -2.174 -9.421 1.110 1.00 72.31 N ATOM 1315 CA HIS A 82 -0.863 -9.502 0.475 1.00 13.24 C ATOM 1316 C HIS A 82 -0.310 -8.108 0.193 1.00 70.32 C ATOM 1317 O HIS A 82 -1.004 -7.255 -0.360 1.00 55.11 O ATOM 1318 CB HIS A 82 -0.951 -10.302 -0.825 1.00 1.23 C ATOM 1319 CG HIS A 82 0.384 -10.610 -1.429 1.00 63.32 C ATOM 1320 ND1 HIS A 82 1.486 -10.965 -0.680 1.00 32.54 N ATOM 1321 CD2 HIS A 82 0.791 -10.617 -2.720 1.00 64.10 C ATOM 1322 CE1 HIS A 82 2.513 -11.176 -1.483 1.00 42.41 C ATOM 1323 NE2 HIS A 82 2.118 -10.971 -2.727 1.00 21.33 N ATOM 0 H HIS A 82 -2.954 -9.669 0.501 1.00 72.31 H new ATOM 0 HA HIS A 82 -0.185 -10.011 1.160 1.00 13.24 H new ATOM 0 HB2 HIS A 82 -1.478 -11.237 -0.632 1.00 1.23 H new ATOM 0 HB3 HIS A 82 -1.547 -9.743 -1.546 1.00 1.23 H new ATOM 0 HD2 HIS A 82 0.185 -10.387 -3.584 1.00 64.10 H new ATOM 0 HE1 HIS A 82 3.507 -11.467 -1.175 1.00 42.41 H new ATOM 0 HE2 HIS A 82 2.703 -11.061 -3.557 1.00 21.33 H new ATOM 1331 N ILE A 83 0.942 -7.885 0.576 1.00 24.43 N ATOM 1332 CA ILE A 83 1.588 -6.596 0.364 1.00 51.14 C ATOM 1333 C ILE A 83 2.713 -6.706 -0.660 1.00 72.40 C ATOM 1334 O ILE A 83 3.448 -7.693 -0.684 1.00 51.11 O ATOM 1335 CB ILE A 83 2.158 -6.028 1.677 1.00 60.31 C ATOM 1336 CG1 ILE A 83 1.213 -6.331 2.841 1.00 13.54 C ATOM 1337 CG2 ILE A 83 2.389 -4.530 1.550 1.00 11.11 C ATOM 1338 CD1 ILE A 83 1.664 -5.734 4.156 1.00 21.44 C ATOM 0 H ILE A 83 1.530 -8.581 1.035 1.00 24.43 H new ATOM 0 HA ILE A 83 0.822 -5.918 -0.013 1.00 51.14 H new ATOM 0 HB ILE A 83 3.116 -6.507 1.878 1.00 60.31 H new ATOM 0 HG12 ILE A 83 0.220 -5.952 2.600 1.00 13.54 H new ATOM 0 HG13 ILE A 83 1.123 -7.411 2.954 1.00 13.54 H new ATOM 0 HG21 ILE A 83 2.792 -4.143 2.486 1.00 11.11 H new ATOM 0 HG22 ILE A 83 3.097 -4.338 0.744 1.00 11.11 H new ATOM 0 HG23 ILE A 83 1.444 -4.034 1.329 1.00 11.11 H new ATOM 0 HD11 ILE A 83 0.947 -5.989 4.936 1.00 21.44 H new ATOM 0 HD12 ILE A 83 2.644 -6.132 4.419 1.00 21.44 H new ATOM 0 HD13 ILE A 83 1.727 -4.650 4.061 1.00 21.44 H new ATOM 1350 N GLU A 84 2.841 -5.686 -1.503 1.00 22.33 N ATOM 1351 CA GLU A 84 3.878 -5.669 -2.528 1.00 71.10 C ATOM 1352 C GLU A 84 4.424 -4.258 -2.726 1.00 51.01 C ATOM 1353 O GLU A 84 3.819 -3.279 -2.289 1.00 42.41 O ATOM 1354 CB GLU A 84 3.327 -6.205 -3.851 1.00 53.10 C ATOM 1355 CG GLU A 84 4.214 -7.253 -4.500 1.00 64.33 C ATOM 1356 CD GLU A 84 4.350 -7.056 -5.998 1.00 23.44 C ATOM 1357 OE1 GLU A 84 4.899 -6.013 -6.411 1.00 33.12 O ATOM 1358 OE2 GLU A 84 3.909 -7.945 -6.756 1.00 15.41 O ATOM 0 H GLU A 84 2.240 -4.862 -1.496 1.00 22.33 H new ATOM 0 HA GLU A 84 4.693 -6.312 -2.195 1.00 71.10 H new ATOM 0 HB2 GLU A 84 2.340 -6.634 -3.677 1.00 53.10 H new ATOM 0 HB3 GLU A 84 3.195 -5.374 -4.543 1.00 53.10 H new ATOM 0 HG2 GLU A 84 5.203 -7.221 -4.042 1.00 64.33 H new ATOM 0 HG3 GLU A 84 3.803 -8.243 -4.303 1.00 64.33 H new ATOM 1365 N LYS A 85 5.572 -4.162 -3.388 1.00 1.22 N ATOM 1366 CA LYS A 85 6.201 -2.872 -3.646 1.00 24.14 C ATOM 1367 C LYS A 85 5.614 -2.220 -4.893 1.00 40.21 C ATOM 1368 O LYS A 85 5.474 -2.862 -5.933 1.00 70.23 O ATOM 1369 CB LYS A 85 7.713 -3.043 -3.810 1.00 43.13 C ATOM 1370 CG LYS A 85 8.414 -3.510 -2.546 1.00 51.21 C ATOM 1371 CD LYS A 85 9.877 -3.830 -2.805 1.00 55.10 C ATOM 1372 CE LYS A 85 10.145 -5.324 -2.714 1.00 35.41 C ATOM 1373 NZ LYS A 85 11.566 -5.652 -3.015 1.00 75.42 N ATOM 0 H LYS A 85 6.086 -4.963 -3.756 1.00 1.22 H new ATOM 0 HA LYS A 85 6.005 -2.223 -2.792 1.00 24.14 H new ATOM 0 HB2 LYS A 85 7.904 -3.761 -4.608 1.00 43.13 H new ATOM 0 HB3 LYS A 85 8.145 -2.093 -4.125 1.00 43.13 H new ATOM 0 HG2 LYS A 85 8.340 -2.737 -1.781 1.00 51.21 H new ATOM 0 HG3 LYS A 85 7.911 -4.395 -2.155 1.00 51.21 H new ATOM 0 HD2 LYS A 85 10.160 -3.468 -3.793 1.00 55.10 H new ATOM 0 HD3 LYS A 85 10.499 -3.303 -2.082 1.00 55.10 H new ATOM 0 HE2 LYS A 85 9.895 -5.678 -1.714 1.00 35.41 H new ATOM 0 HE3 LYS A 85 9.495 -5.853 -3.411 1.00 35.41 H new ATOM 0 HZ1 LYS A 85 11.708 -6.680 -2.942 1.00 75.42 H new ATOM 0 HZ2 LYS A 85 11.798 -5.338 -3.979 1.00 75.42 H new ATOM 0 HZ3 LYS A 85 12.186 -5.168 -2.334 1.00 75.42 H new ATOM 1387 N ALA A 86 5.274 -0.940 -4.782 1.00 14.04 N ATOM 1388 CA ALA A 86 4.705 -0.200 -5.902 1.00 31.44 C ATOM 1389 C ALA A 86 5.799 0.453 -6.740 1.00 75.41 C ATOM 1390 O ALA A 86 6.912 0.675 -6.263 1.00 54.33 O ATOM 1391 CB ALA A 86 3.726 0.849 -5.398 1.00 14.40 C ATOM 0 H ALA A 86 5.383 -0.394 -3.928 1.00 14.04 H new ATOM 0 HA ALA A 86 4.169 -0.905 -6.537 1.00 31.44 H new ATOM 0 HB1 ALA A 86 3.309 1.394 -6.245 1.00 14.40 H new ATOM 0 HB2 ALA A 86 2.921 0.361 -4.848 1.00 14.40 H new ATOM 0 HB3 ALA A 86 4.246 1.545 -4.739 1.00 14.40 H new ATOM 1397 N LYS A 87 5.475 0.757 -7.992 1.00 61.14 N ATOM 1398 CA LYS A 87 6.429 1.385 -8.898 1.00 42.15 C ATOM 1399 C LYS A 87 5.724 2.345 -9.851 1.00 71.13 C ATOM 1400 O LYS A 87 4.527 2.216 -10.104 1.00 72.02 O ATOM 1401 CB LYS A 87 7.183 0.319 -9.697 1.00 4.41 C ATOM 1402 CG LYS A 87 6.350 -0.324 -10.791 1.00 73.13 C ATOM 1403 CD LYS A 87 6.353 -1.839 -10.677 1.00 62.30 C ATOM 1404 CE LYS A 87 5.099 -2.349 -9.983 1.00 5.21 C ATOM 1405 NZ LYS A 87 5.210 -3.790 -9.625 1.00 64.12 N ATOM 0 H LYS A 87 4.558 0.579 -8.403 1.00 61.14 H new ATOM 0 HA LYS A 87 7.141 1.953 -8.299 1.00 42.15 H new ATOM 0 HB2 LYS A 87 8.068 0.771 -10.144 1.00 4.41 H new ATOM 0 HB3 LYS A 87 7.531 -0.456 -9.014 1.00 4.41 H new ATOM 0 HG2 LYS A 87 5.326 0.044 -10.733 1.00 73.13 H new ATOM 0 HG3 LYS A 87 6.740 -0.031 -11.766 1.00 73.13 H new ATOM 0 HD2 LYS A 87 6.424 -2.279 -11.671 1.00 62.30 H new ATOM 0 HD3 LYS A 87 7.234 -2.161 -10.122 1.00 62.30 H new ATOM 0 HE2 LYS A 87 4.920 -1.764 -9.081 1.00 5.21 H new ATOM 0 HE3 LYS A 87 4.238 -2.202 -10.635 1.00 5.21 H new ATOM 0 HZ1 LYS A 87 4.336 -4.099 -9.154 1.00 64.12 H new ATOM 0 HZ2 LYS A 87 5.356 -4.352 -10.488 1.00 64.12 H new ATOM 0 HZ3 LYS A 87 6.016 -3.927 -8.982 1.00 64.12 H new ATOM 1419 N GLY A 88 6.475 3.307 -10.379 1.00 10.25 N ATOM 1420 CA GLY A 88 5.904 4.273 -11.299 1.00 3.53 C ATOM 1421 C GLY A 88 5.685 5.628 -10.655 1.00 0.03 C ATOM 1422 O GLY A 88 6.184 5.892 -9.560 1.00 52.31 O ATOM 0 H GLY A 88 7.468 3.434 -10.186 1.00 10.25 H new ATOM 0 HA2 GLY A 88 6.564 4.385 -12.159 1.00 3.53 H new ATOM 0 HA3 GLY A 88 4.953 3.895 -11.674 1.00 3.53 H new ATOM 1426 N THR A 89 4.937 6.491 -11.335 1.00 43.34 N ATOM 1427 CA THR A 89 4.655 7.827 -10.825 1.00 24.23 C ATOM 1428 C THR A 89 3.310 7.869 -10.110 1.00 13.41 C ATOM 1429 O THR A 89 2.564 6.890 -10.112 1.00 13.01 O ATOM 1430 CB THR A 89 4.656 8.873 -11.956 1.00 24.43 C ATOM 1431 OG1 THR A 89 3.473 8.735 -12.751 1.00 5.42 O ATOM 1432 CG2 THR A 89 5.887 8.716 -12.837 1.00 33.44 C ATOM 0 H THR A 89 4.515 6.288 -12.241 1.00 43.34 H new ATOM 0 HA THR A 89 5.448 8.069 -10.117 1.00 24.23 H new ATOM 0 HB THR A 89 4.676 9.865 -11.504 1.00 24.43 H new ATOM 0 HG1 THR A 89 3.480 9.404 -13.467 1.00 5.42 H new ATOM 0 HG21 THR A 89 5.866 9.465 -13.628 1.00 33.44 H new ATOM 0 HG22 THR A 89 6.785 8.850 -12.234 1.00 33.44 H new ATOM 0 HG23 THR A 89 5.893 7.720 -13.280 1.00 33.44 H new ATOM 1440 N ASP A 90 3.005 9.010 -9.500 1.00 71.50 N ATOM 1441 CA ASP A 90 1.747 9.180 -8.782 1.00 40.22 C ATOM 1442 C ASP A 90 0.559 8.863 -9.685 1.00 31.21 C ATOM 1443 O ASP A 90 -0.415 8.248 -9.251 1.00 1.32 O ATOM 1444 CB ASP A 90 1.630 10.608 -8.248 1.00 0.44 C ATOM 1445 CG ASP A 90 1.978 11.649 -9.294 1.00 24.31 C ATOM 1446 OD1 ASP A 90 1.094 11.994 -10.104 1.00 75.14 O ATOM 1447 OD2 ASP A 90 3.136 12.117 -9.303 1.00 3.00 O ATOM 0 H ASP A 90 3.611 9.830 -9.489 1.00 71.50 H new ATOM 0 HA ASP A 90 1.739 8.484 -7.943 1.00 40.22 H new ATOM 0 HB2 ASP A 90 0.613 10.778 -7.895 1.00 0.44 H new ATOM 0 HB3 ASP A 90 2.290 10.726 -7.389 1.00 0.44 H new ATOM 1452 N GLN A 91 0.647 9.287 -10.941 1.00 51.14 N ATOM 1453 CA GLN A 91 -0.422 9.049 -11.904 1.00 51.30 C ATOM 1454 C GLN A 91 -0.542 7.564 -12.229 1.00 22.03 C ATOM 1455 O GLN A 91 -1.642 7.051 -12.433 1.00 44.12 O ATOM 1456 CB GLN A 91 -0.169 9.845 -13.186 1.00 32.12 C ATOM 1457 CG GLN A 91 -1.370 10.655 -13.646 1.00 14.10 C ATOM 1458 CD GLN A 91 -1.897 11.582 -12.568 1.00 61.10 C ATOM 1459 OE1 GLN A 91 -1.242 12.556 -12.197 1.00 11.51 O ATOM 1460 NE2 GLN A 91 -3.086 11.283 -12.059 1.00 31.43 N ATOM 0 H GLN A 91 1.447 9.797 -11.316 1.00 51.14 H new ATOM 0 HA GLN A 91 -1.359 9.381 -11.457 1.00 51.30 H new ATOM 0 HB2 GLN A 91 0.673 10.518 -13.025 1.00 32.12 H new ATOM 0 HB3 GLN A 91 0.120 9.157 -13.980 1.00 32.12 H new ATOM 0 HG2 GLN A 91 -1.093 11.242 -14.521 1.00 14.10 H new ATOM 0 HG3 GLN A 91 -2.164 9.976 -13.956 1.00 14.10 H new ATOM 0 HE21 GLN A 91 -3.594 10.466 -12.396 1.00 31.43 H new ATOM 0 HE22 GLN A 91 -3.491 11.871 -11.330 1.00 31.43 H new ATOM 1469 N GLN A 92 0.597 6.880 -12.275 1.00 33.34 N ATOM 1470 CA GLN A 92 0.618 5.453 -12.576 1.00 5.23 C ATOM 1471 C GLN A 92 -0.102 4.657 -11.493 1.00 1.15 C ATOM 1472 O GLN A 92 -0.793 3.681 -11.782 1.00 4.21 O ATOM 1473 CB GLN A 92 2.060 4.961 -12.713 1.00 4.31 C ATOM 1474 CG GLN A 92 2.538 4.872 -14.153 1.00 62.12 C ATOM 1475 CD GLN A 92 3.336 3.612 -14.426 1.00 43.32 C ATOM 1476 OE1 GLN A 92 2.771 2.538 -14.632 1.00 61.20 O ATOM 1477 NE2 GLN A 92 4.658 3.738 -14.430 1.00 23.24 N ATOM 0 H GLN A 92 1.516 7.290 -12.108 1.00 33.34 H new ATOM 0 HA GLN A 92 0.097 5.299 -13.521 1.00 5.23 H new ATOM 0 HB2 GLN A 92 2.718 5.632 -12.161 1.00 4.31 H new ATOM 0 HB3 GLN A 92 2.145 3.978 -12.249 1.00 4.31 H new ATOM 0 HG2 GLN A 92 1.677 4.904 -14.820 1.00 62.12 H new ATOM 0 HG3 GLN A 92 3.152 5.743 -14.383 1.00 62.12 H new ATOM 0 HE21 GLN A 92 5.084 4.648 -14.254 1.00 23.24 H new ATOM 0 HE22 GLN A 92 5.247 2.925 -14.609 1.00 23.24 H new ATOM 1486 N ASN A 93 0.065 5.081 -10.244 1.00 32.01 N ATOM 1487 CA ASN A 93 -0.569 4.407 -9.117 1.00 31.42 C ATOM 1488 C ASN A 93 -2.040 4.796 -9.008 1.00 33.53 C ATOM 1489 O ASN A 93 -2.906 3.944 -8.804 1.00 61.11 O ATOM 1490 CB ASN A 93 0.159 4.750 -7.815 1.00 74.24 C ATOM 1491 CG ASN A 93 1.470 4.002 -7.672 1.00 20.03 C ATOM 1492 OD1 ASN A 93 2.304 4.068 -8.703 1.00 24.22 O flip ATOM 1493 ND2 ASN A 93 1.729 3.373 -6.646 1.00 25.14 N flip ATOM 0 H ASN A 93 0.634 5.888 -9.987 1.00 32.01 H new ATOM 0 HA ASN A 93 -0.507 3.332 -9.287 1.00 31.42 H new ATOM 0 HB2 ASN A 93 0.350 5.823 -7.780 1.00 74.24 H new ATOM 0 HB3 ASN A 93 -0.485 4.514 -6.968 1.00 74.24 H new ATOM 0 HD21 ASN A 93 1.057 3.350 -5.879 1.00 25.14 H new ATOM 0 HD22 ASN A 93 2.615 2.875 -6.563 1.00 25.14 H new ATOM 1500 N LYS A 94 -2.317 6.088 -9.145 1.00 63.10 N ATOM 1501 CA LYS A 94 -3.683 6.592 -9.064 1.00 64.52 C ATOM 1502 C LYS A 94 -4.549 5.995 -10.169 1.00 63.00 C ATOM 1503 O LYS A 94 -5.702 5.633 -9.938 1.00 62.11 O ATOM 1504 CB LYS A 94 -3.692 8.119 -9.163 1.00 23.31 C ATOM 1505 CG LYS A 94 -4.977 8.753 -8.661 1.00 10.15 C ATOM 1506 CD LYS A 94 -5.424 9.894 -9.559 1.00 71.11 C ATOM 1507 CE LYS A 94 -6.335 10.862 -8.819 1.00 62.14 C ATOM 1508 NZ LYS A 94 -5.695 12.193 -8.633 1.00 44.41 N ATOM 0 H LYS A 94 -1.613 6.806 -9.313 1.00 63.10 H new ATOM 0 HA LYS A 94 -4.097 6.294 -8.101 1.00 64.52 H new ATOM 0 HB2 LYS A 94 -2.853 8.517 -8.592 1.00 23.31 H new ATOM 0 HB3 LYS A 94 -3.536 8.408 -10.202 1.00 23.31 H new ATOM 0 HG2 LYS A 94 -5.762 7.998 -8.613 1.00 10.15 H new ATOM 0 HG3 LYS A 94 -4.829 9.124 -7.647 1.00 10.15 H new ATOM 0 HD2 LYS A 94 -4.550 10.428 -9.932 1.00 71.11 H new ATOM 0 HD3 LYS A 94 -5.947 9.492 -10.427 1.00 71.11 H new ATOM 0 HE2 LYS A 94 -7.266 10.981 -9.374 1.00 62.14 H new ATOM 0 HE3 LYS A 94 -6.595 10.445 -7.846 1.00 62.14 H new ATOM 0 HZ1 LYS A 94 -6.347 12.824 -8.125 1.00 44.41 H new ATOM 0 HZ2 LYS A 94 -4.820 12.083 -8.082 1.00 44.41 H new ATOM 0 HZ3 LYS A 94 -5.470 12.603 -9.562 1.00 44.41 H new ATOM 1522 N GLU A 95 -3.984 5.895 -11.368 1.00 73.15 N ATOM 1523 CA GLU A 95 -4.706 5.341 -12.508 1.00 13.21 C ATOM 1524 C GLU A 95 -4.896 3.835 -12.352 1.00 41.12 C ATOM 1525 O GLU A 95 -5.922 3.283 -12.750 1.00 50.22 O ATOM 1526 CB GLU A 95 -3.958 5.640 -13.809 1.00 2.45 C ATOM 1527 CG GLU A 95 -4.052 7.093 -14.245 1.00 74.31 C ATOM 1528 CD GLU A 95 -5.432 7.460 -14.755 1.00 75.31 C ATOM 1529 OE1 GLU A 95 -5.849 6.904 -15.793 1.00 13.22 O ATOM 1530 OE2 GLU A 95 -6.096 8.303 -14.116 1.00 23.04 O ATOM 0 H GLU A 95 -3.030 6.190 -11.575 1.00 73.15 H new ATOM 0 HA GLU A 95 -5.688 5.812 -12.546 1.00 13.21 H new ATOM 0 HB2 GLU A 95 -2.908 5.374 -13.684 1.00 2.45 H new ATOM 0 HB3 GLU A 95 -4.356 5.005 -14.601 1.00 2.45 H new ATOM 0 HG2 GLU A 95 -3.796 7.738 -13.405 1.00 74.31 H new ATOM 0 HG3 GLU A 95 -3.317 7.282 -15.028 1.00 74.31 H new ATOM 1537 N TYR A 96 -3.899 3.176 -11.771 1.00 53.53 N ATOM 1538 CA TYR A 96 -3.954 1.734 -11.565 1.00 41.14 C ATOM 1539 C TYR A 96 -5.190 1.345 -10.761 1.00 12.14 C ATOM 1540 O TYR A 96 -5.992 0.517 -11.195 1.00 12.42 O ATOM 1541 CB TYR A 96 -2.692 1.252 -10.848 1.00 10.13 C ATOM 1542 CG TYR A 96 -2.596 -0.253 -10.736 1.00 51.33 C ATOM 1543 CD1 TYR A 96 -2.201 -1.026 -11.821 1.00 2.30 C ATOM 1544 CD2 TYR A 96 -2.900 -0.901 -9.546 1.00 21.53 C ATOM 1545 CE1 TYR A 96 -2.113 -2.401 -11.724 1.00 4.22 C ATOM 1546 CE2 TYR A 96 -2.813 -2.276 -9.439 1.00 30.11 C ATOM 1547 CZ TYR A 96 -2.419 -3.021 -10.531 1.00 35.32 C ATOM 1548 OH TYR A 96 -2.331 -4.391 -10.430 1.00 14.25 O ATOM 0 H TYR A 96 -3.043 3.618 -11.435 1.00 53.53 H new ATOM 0 HA TYR A 96 -4.014 1.255 -12.542 1.00 41.14 H new ATOM 0 HB2 TYR A 96 -1.817 1.625 -11.381 1.00 10.13 H new ATOM 0 HB3 TYR A 96 -2.665 1.685 -9.848 1.00 10.13 H new ATOM 0 HD1 TYR A 96 -1.959 -0.543 -12.756 1.00 2.30 H new ATOM 0 HD2 TYR A 96 -3.210 -0.320 -8.690 1.00 21.53 H new ATOM 0 HE1 TYR A 96 -1.806 -2.987 -12.578 1.00 4.22 H new ATOM 0 HE2 TYR A 96 -3.052 -2.764 -8.506 1.00 30.11 H new ATOM 0 HH TYR A 96 -2.579 -4.669 -9.524 1.00 14.25 H new ATOM 1558 N CYS A 97 -5.337 1.948 -9.586 1.00 53.44 N ATOM 1559 CA CYS A 97 -6.476 1.666 -8.719 1.00 43.20 C ATOM 1560 C CYS A 97 -7.781 2.100 -9.377 1.00 74.13 C ATOM 1561 O CYS A 97 -8.818 1.459 -9.204 1.00 51.23 O ATOM 1562 CB CYS A 97 -6.308 2.376 -7.375 1.00 4.21 C ATOM 1563 SG CYS A 97 -4.811 1.909 -6.475 1.00 65.32 S ATOM 0 H CYS A 97 -4.682 2.635 -9.212 1.00 53.44 H new ATOM 0 HA CYS A 97 -6.516 0.590 -8.551 1.00 43.20 H new ATOM 0 HB2 CYS A 97 -6.296 3.453 -7.544 1.00 4.21 H new ATOM 0 HB3 CYS A 97 -7.176 2.161 -6.752 1.00 4.21 H new ATOM 0 HG CYS A 97 -4.904 2.308 -5.241 1.00 65.32 H new ATOM 1569 N SER A 98 -7.723 3.193 -10.131 1.00 74.14 N ATOM 1570 CA SER A 98 -8.903 3.716 -10.811 1.00 64.13 C ATOM 1571 C SER A 98 -9.249 2.865 -12.029 1.00 53.25 C ATOM 1572 O SER A 98 -10.330 2.995 -12.605 1.00 61.32 O ATOM 1573 CB SER A 98 -8.670 5.167 -11.238 1.00 31.34 C ATOM 1574 OG SER A 98 -9.741 5.642 -12.035 1.00 32.14 O ATOM 0 H SER A 98 -6.872 3.734 -10.287 1.00 74.14 H new ATOM 0 HA SER A 98 -9.740 3.680 -10.114 1.00 64.13 H new ATOM 0 HB2 SER A 98 -8.563 5.797 -10.355 1.00 31.34 H new ATOM 0 HB3 SER A 98 -7.737 5.240 -11.796 1.00 31.34 H new ATOM 0 HG SER A 98 -10.281 4.884 -12.342 1.00 32.14 H new ATOM 1580 N LYS A 99 -8.324 1.994 -12.417 1.00 50.15 N ATOM 1581 CA LYS A 99 -8.529 1.120 -13.566 1.00 74.21 C ATOM 1582 C LYS A 99 -9.808 0.303 -13.407 1.00 3.14 C ATOM 1583 O LYS A 99 -10.412 -0.118 -14.392 1.00 73.01 O ATOM 1584 CB LYS A 99 -7.332 0.183 -13.741 1.00 3.32 C ATOM 1585 CG LYS A 99 -7.437 -0.718 -14.959 1.00 2.20 C ATOM 1586 CD LYS A 99 -6.233 -1.637 -15.078 1.00 43.13 C ATOM 1587 CE LYS A 99 -6.105 -2.548 -13.867 1.00 4.20 C ATOM 1588 NZ LYS A 99 -5.995 -3.980 -14.259 1.00 60.22 N ATOM 0 H LYS A 99 -7.424 1.874 -11.952 1.00 50.15 H new ATOM 0 HA LYS A 99 -8.626 1.746 -14.453 1.00 74.21 H new ATOM 0 HB2 LYS A 99 -6.423 0.779 -13.818 1.00 3.32 H new ATOM 0 HB3 LYS A 99 -7.233 -0.436 -12.849 1.00 3.32 H new ATOM 0 HG2 LYS A 99 -8.347 -1.315 -14.894 1.00 2.20 H new ATOM 0 HG3 LYS A 99 -7.520 -0.108 -15.858 1.00 2.20 H new ATOM 0 HD2 LYS A 99 -6.323 -2.241 -15.981 1.00 43.13 H new ATOM 0 HD3 LYS A 99 -5.327 -1.040 -15.183 1.00 43.13 H new ATOM 0 HE2 LYS A 99 -5.227 -2.261 -13.288 1.00 4.20 H new ATOM 0 HE3 LYS A 99 -6.971 -2.414 -13.219 1.00 4.20 H new ATOM 0 HZ1 LYS A 99 -5.910 -4.568 -13.405 1.00 60.22 H new ATOM 0 HZ2 LYS A 99 -6.844 -4.261 -14.789 1.00 60.22 H new ATOM 0 HZ3 LYS A 99 -5.154 -4.113 -14.856 1.00 60.22 H new ATOM 1602 N GLU A 100 -10.214 0.085 -12.160 1.00 25.14 N ATOM 1603 CA GLU A 100 -11.421 -0.681 -11.873 1.00 2.01 C ATOM 1604 C GLU A 100 -12.671 0.124 -12.217 1.00 5.42 C ATOM 1605 O GLU A 100 -13.724 -0.439 -12.509 1.00 15.11 O ATOM 1606 CB GLU A 100 -11.454 -1.090 -10.399 1.00 30.11 C ATOM 1607 CG GLU A 100 -10.461 -2.185 -10.049 1.00 23.34 C ATOM 1608 CD GLU A 100 -9.021 -1.718 -10.140 1.00 70.24 C ATOM 1609 OE1 GLU A 100 -8.500 -1.197 -9.132 1.00 54.13 O ATOM 1610 OE2 GLU A 100 -8.415 -1.875 -11.221 1.00 40.32 O ATOM 0 H GLU A 100 -9.725 0.428 -11.333 1.00 25.14 H new ATOM 0 HA GLU A 100 -11.406 -1.579 -12.491 1.00 2.01 H new ATOM 0 HB2 GLU A 100 -11.249 -0.214 -9.783 1.00 30.11 H new ATOM 0 HB3 GLU A 100 -12.459 -1.428 -10.147 1.00 30.11 H new ATOM 0 HG2 GLU A 100 -10.660 -2.541 -9.038 1.00 23.34 H new ATOM 0 HG3 GLU A 100 -10.608 -3.031 -10.720 1.00 23.34 H new ATOM 1617 N GLY A 101 -12.544 1.448 -12.179 1.00 21.50 N ATOM 1618 CA GLY A 101 -13.670 2.310 -12.488 1.00 22.43 C ATOM 1619 C GLY A 101 -14.405 2.770 -11.245 1.00 13.01 C ATOM 1620 O GLY A 101 -15.275 3.637 -11.316 1.00 34.20 O ATOM 0 H GLY A 101 -11.682 1.938 -11.940 1.00 21.50 H new ATOM 0 HA2 GLY A 101 -13.316 3.181 -13.041 1.00 22.43 H new ATOM 0 HA3 GLY A 101 -14.363 1.778 -13.140 1.00 22.43 H new ATOM 1624 N ASN A 102 -14.056 2.187 -10.102 1.00 53.25 N ATOM 1625 CA ASN A 102 -14.692 2.541 -8.838 1.00 45.54 C ATOM 1626 C ASN A 102 -13.649 2.733 -7.741 1.00 34.13 C ATOM 1627 O ASN A 102 -12.720 1.936 -7.606 1.00 32.44 O ATOM 1628 CB ASN A 102 -15.691 1.459 -8.425 1.00 50.31 C ATOM 1629 CG ASN A 102 -15.016 0.266 -7.776 1.00 50.34 C ATOM 1630 OD1 ASN A 102 -14.539 0.348 -6.644 1.00 53.43 O ATOM 1631 ND2 ASN A 102 -14.972 -0.851 -8.493 1.00 55.33 N ATOM 0 H ASN A 102 -13.337 1.468 -10.025 1.00 53.25 H new ATOM 0 HA ASN A 102 -15.224 3.482 -8.978 1.00 45.54 H new ATOM 0 HB2 ASN A 102 -16.417 1.884 -7.732 1.00 50.31 H new ATOM 0 HB3 ASN A 102 -16.246 1.126 -9.302 1.00 50.31 H new ATOM 0 HD21 ASN A 102 -14.530 -1.686 -8.109 1.00 55.33 H new ATOM 0 HD22 ASN A 102 -15.380 -0.874 -9.427 1.00 55.33 H new ATOM 1638 N LEU A 103 -13.810 3.795 -6.959 1.00 33.54 N ATOM 1639 CA LEU A 103 -12.884 4.091 -5.871 1.00 51.33 C ATOM 1640 C LEU A 103 -13.534 3.830 -4.516 1.00 44.41 C ATOM 1641 O LEU A 103 -14.619 4.336 -4.228 1.00 52.22 O ATOM 1642 CB LEU A 103 -12.418 5.546 -5.955 1.00 31.13 C ATOM 1643 CG LEU A 103 -11.020 5.771 -6.531 1.00 62.23 C ATOM 1644 CD1 LEU A 103 -9.957 5.288 -5.557 1.00 23.10 C ATOM 1645 CD2 LEU A 103 -10.876 5.066 -7.872 1.00 53.14 C ATOM 0 H LEU A 103 -14.573 4.465 -7.058 1.00 33.54 H new ATOM 0 HA LEU A 103 -12.021 3.433 -5.971 1.00 51.33 H new ATOM 0 HB2 LEU A 103 -13.133 6.101 -6.562 1.00 31.13 H new ATOM 0 HB3 LEU A 103 -12.450 5.975 -4.954 1.00 31.13 H new ATOM 0 HG LEU A 103 -10.881 6.841 -6.688 1.00 62.23 H new ATOM 0 HD11 LEU A 103 -8.968 5.456 -5.984 1.00 23.10 H new ATOM 0 HD12 LEU A 103 -10.046 5.838 -4.620 1.00 23.10 H new ATOM 0 HD13 LEU A 103 -10.094 4.223 -5.368 1.00 23.10 H new ATOM 0 HD21 LEU A 103 -9.875 5.237 -8.267 1.00 53.14 H new ATOM 0 HD22 LEU A 103 -11.036 3.996 -7.740 1.00 53.14 H new ATOM 0 HD23 LEU A 103 -11.614 5.459 -8.571 1.00 53.14 H new ATOM 1657 N LEU A 104 -12.862 3.040 -3.686 1.00 61.24 N ATOM 1658 CA LEU A 104 -13.372 2.713 -2.359 1.00 53.14 C ATOM 1659 C LEU A 104 -12.954 3.768 -1.340 1.00 51.13 C ATOM 1660 O LEU A 104 -13.620 3.962 -0.324 1.00 34.21 O ATOM 1661 CB LEU A 104 -12.868 1.337 -1.922 1.00 21.20 C ATOM 1662 CG LEU A 104 -13.227 0.912 -0.498 1.00 4.15 C ATOM 1663 CD1 LEU A 104 -14.731 0.746 -0.353 1.00 14.31 C ATOM 1664 CD2 LEU A 104 -12.508 -0.378 -0.129 1.00 12.44 C ATOM 0 H LEU A 104 -11.962 2.614 -3.909 1.00 61.24 H new ATOM 0 HA LEU A 104 -14.461 2.695 -2.410 1.00 53.14 H new ATOM 0 HB2 LEU A 104 -13.262 0.592 -2.613 1.00 21.20 H new ATOM 0 HB3 LEU A 104 -11.783 1.321 -2.022 1.00 21.20 H new ATOM 0 HG LEU A 104 -12.901 1.695 0.187 1.00 4.15 H new ATOM 0 HD11 LEU A 104 -14.967 0.443 0.667 1.00 14.31 H new ATOM 0 HD12 LEU A 104 -15.224 1.692 -0.574 1.00 14.31 H new ATOM 0 HD13 LEU A 104 -15.082 -0.017 -1.048 1.00 14.31 H new ATOM 0 HD21 LEU A 104 -12.775 -0.665 0.888 1.00 12.44 H new ATOM 0 HD22 LEU A 104 -12.802 -1.169 -0.819 1.00 12.44 H new ATOM 0 HD23 LEU A 104 -11.431 -0.225 -0.191 1.00 12.44 H new ATOM 1676 N MET A 105 -11.848 4.449 -1.621 1.00 24.31 N ATOM 1677 CA MET A 105 -11.343 5.487 -0.730 1.00 22.11 C ATOM 1678 C MET A 105 -10.379 6.413 -1.465 1.00 24.41 C ATOM 1679 O MET A 105 -9.526 5.957 -2.226 1.00 20.30 O ATOM 1680 CB MET A 105 -10.644 4.858 0.477 1.00 62.32 C ATOM 1681 CG MET A 105 -9.635 5.779 1.143 1.00 30.14 C ATOM 1682 SD MET A 105 -9.541 5.532 2.927 1.00 35.10 S ATOM 1683 CE MET A 105 -8.083 4.499 3.050 1.00 51.32 C ATOM 0 H MET A 105 -11.285 4.301 -2.458 1.00 24.31 H new ATOM 0 HA MET A 105 -12.191 6.077 -0.383 1.00 22.11 H new ATOM 0 HB2 MET A 105 -11.396 4.565 1.210 1.00 62.32 H new ATOM 0 HB3 MET A 105 -10.137 3.947 0.159 1.00 62.32 H new ATOM 0 HG2 MET A 105 -8.651 5.611 0.705 1.00 30.14 H new ATOM 0 HG3 MET A 105 -9.903 6.815 0.937 1.00 30.14 H new ATOM 0 HE1 MET A 105 -7.707 4.521 4.073 1.00 51.32 H new ATOM 0 HE2 MET A 105 -8.339 3.475 2.779 1.00 51.32 H new ATOM 0 HE3 MET A 105 -7.315 4.872 2.373 1.00 51.32 H new ATOM 1693 N GLU A 106 -10.521 7.714 -1.232 1.00 22.30 N ATOM 1694 CA GLU A 106 -9.662 8.702 -1.874 1.00 13.21 C ATOM 1695 C GLU A 106 -9.141 9.713 -0.856 1.00 63.32 C ATOM 1696 O GLU A 106 -9.876 10.591 -0.405 1.00 15.13 O ATOM 1697 CB GLU A 106 -10.424 9.428 -2.985 1.00 34.33 C ATOM 1698 CG GLU A 106 -9.758 9.327 -4.346 1.00 63.14 C ATOM 1699 CD GLU A 106 -10.305 10.333 -5.340 1.00 11.31 C ATOM 1700 OE1 GLU A 106 -10.096 11.547 -5.130 1.00 72.33 O ATOM 1701 OE2 GLU A 106 -10.942 9.908 -6.326 1.00 50.21 O ATOM 0 H GLU A 106 -11.222 8.108 -0.604 1.00 22.30 H new ATOM 0 HA GLU A 106 -8.811 8.178 -2.309 1.00 13.21 H new ATOM 0 HB2 GLU A 106 -11.431 9.017 -3.051 1.00 34.33 H new ATOM 0 HB3 GLU A 106 -10.526 10.480 -2.717 1.00 34.33 H new ATOM 0 HG2 GLU A 106 -8.685 9.480 -4.233 1.00 63.14 H new ATOM 0 HG3 GLU A 106 -9.897 8.320 -4.740 1.00 63.14 H new ATOM 1708 N CYS A 107 -7.868 9.581 -0.500 1.00 20.23 N ATOM 1709 CA CYS A 107 -7.247 10.481 0.466 1.00 72.02 C ATOM 1710 C CYS A 107 -5.830 10.846 0.036 1.00 52.12 C ATOM 1711 O CYS A 107 -5.327 10.345 -0.969 1.00 2.03 O ATOM 1712 CB CYS A 107 -7.222 9.836 1.852 1.00 13.45 C ATOM 1713 SG CYS A 107 -8.804 9.127 2.365 1.00 15.24 S ATOM 0 H CYS A 107 -7.246 8.860 -0.865 1.00 20.23 H new ATOM 0 HA CYS A 107 -7.841 11.394 0.509 1.00 72.02 H new ATOM 0 HB2 CYS A 107 -6.464 9.052 1.863 1.00 13.45 H new ATOM 0 HB3 CYS A 107 -6.917 10.584 2.584 1.00 13.45 H new ATOM 0 HG CYS A 107 -8.664 7.850 2.561 1.00 15.24 H new ATOM 1719 N GLY A 108 -5.192 11.725 0.803 1.00 20.53 N ATOM 1720 CA GLY A 108 -3.840 12.143 0.484 1.00 4.54 C ATOM 1721 C GLY A 108 -3.739 12.785 -0.885 1.00 71.34 C ATOM 1722 O GLY A 108 -4.750 12.994 -1.556 1.00 4.13 O ATOM 0 H GLY A 108 -5.588 12.155 1.639 1.00 20.53 H new ATOM 0 HA2 GLY A 108 -3.494 12.849 1.239 1.00 4.54 H new ATOM 0 HA3 GLY A 108 -3.176 11.279 0.527 1.00 4.54 H new