USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl -162:sc= -3.85! (180deg=-3.72!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= -0.549 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.6! C(o=-2.2!,f=-6.3!) USER MOD Set 2.2: A 73 TYR OH : rot 93:sc= 0.895 USER MOD Set 2.3: A 90 MET CE :methyl -177:sc= -1.51 (180deg=-1.57) USER MOD Set 3.1: A 32 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.7!) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.00332 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 153:sc= -1.88 (180deg=-3.37!) USER MOD Set 4.2: A 36 SER OG : rot -150:sc= -0.469 USER MOD Set 5.1: A 18 CYS SG : rot 40:sc= -6.63! USER MOD Set 5.2: A 22 THR OG1 : rot -60:sc= 1.12 USER MOD Set 5.3: A 42 SER OG : rot 160:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0325 K(o=-0.033,f=-1.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 19 LYS NZ :NH3+ -146:sc=-0.00783 (180deg=-0.863) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0982 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0279! C(o=-0.028!,f=-8.5!) USER MOD Single : A 44 CYS SG : rot 89:sc= -0.446 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -3.34 F(o=-5.6!,f=-3.3) USER MOD Single : A 49 HIS : no HD1:sc= -1.78! X(o=-1.8!,f=-1.6) USER MOD Single : A 57 TYR OH : rot 130:sc= -2.44! USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0705) USER MOD Single : A 59 SER OG : rot -47:sc= 0.785 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.97! C(o=-3.6!,f=-3!) USER MOD Single : A 63 GLN : amide:sc= -9.95! C(o=-10!,f=-13!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.846 K(o=-0.85,f=-3.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 76:sc= 0.976 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0734 K(o=-0.073,f=-1.8!) USER MOD Single : A 111 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 12.089 0.394 -9.033 1.00 0.00 N ATOM 116 CA GLN A 12 11.251 -0.236 -10.047 1.00 0.00 C ATOM 117 C GLN A 12 10.559 -1.475 -9.489 1.00 0.00 C ATOM 118 O GLN A 12 9.372 -1.696 -9.730 1.00 0.00 O ATOM 119 CB GLN A 12 12.090 -0.612 -11.270 1.00 0.00 C ATOM 120 CG GLN A 12 11.282 -1.255 -12.387 1.00 0.00 C ATOM 121 CD GLN A 12 10.522 -0.239 -13.216 1.00 0.00 C ATOM 122 OE1 GLN A 12 10.816 0.956 -13.177 1.00 0.00 O ATOM 123 NE2 GLN A 12 9.537 -0.709 -13.971 1.00 0.00 N ATOM 0 HA GLN A 12 10.486 0.480 -10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.578 0.283 -11.655 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.879 -1.298 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.951 -1.820 -13.036 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.578 -1.968 -11.957 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.328 -1.707 -13.973 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.989 -0.072 -14.550 1.00 0.00 H new ATOM 132 N SER A 13 11.308 -2.280 -8.743 1.00 0.00 N ATOM 133 CA SER A 13 10.768 -3.499 -8.154 1.00 0.00 C ATOM 134 C SER A 13 9.498 -3.203 -7.362 1.00 0.00 C ATOM 135 O SER A 13 8.471 -3.857 -7.546 1.00 0.00 O ATOM 136 CB SER A 13 11.808 -4.156 -7.245 1.00 0.00 C ATOM 137 OG SER A 13 12.580 -3.181 -6.566 1.00 0.00 O ATOM 0 H SER A 13 12.291 -2.110 -8.532 1.00 0.00 H new ATOM 0 HA SER A 13 10.519 -4.185 -8.964 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.308 -4.798 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.463 -4.794 -7.838 1.00 0.00 H new ATOM 0 HG SER A 13 13.236 -3.626 -5.990 1.00 0.00 H new ATOM 143 N LEU A 14 9.577 -2.213 -6.479 1.00 0.00 N ATOM 144 CA LEU A 14 8.434 -1.829 -5.657 1.00 0.00 C ATOM 145 C LEU A 14 7.251 -1.418 -6.527 1.00 0.00 C ATOM 146 O LEU A 14 6.216 -2.086 -6.543 1.00 0.00 O ATOM 147 CB LEU A 14 8.817 -0.681 -4.722 1.00 0.00 C ATOM 148 CG LEU A 14 7.681 -0.086 -3.889 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.258 -1.055 -2.795 1.00 0.00 C ATOM 150 CD2 LEU A 14 8.102 1.248 -3.289 1.00 0.00 C ATOM 0 H LEU A 14 10.419 -1.662 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 14 8.140 -2.693 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.592 -1.036 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.258 0.116 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 14 6.827 0.086 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.449 -0.615 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.915 -1.986 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.106 -1.259 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.281 1.657 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.971 1.101 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.355 1.943 -4.089 1.00 0.00 H new ATOM 162 N LEU A 15 7.411 -0.316 -7.252 1.00 0.00 N ATOM 163 CA LEU A 15 6.356 0.184 -8.128 1.00 0.00 C ATOM 164 C LEU A 15 5.647 -0.966 -8.836 1.00 0.00 C ATOM 165 O LEU A 15 4.421 -0.976 -8.952 1.00 0.00 O ATOM 166 CB LEU A 15 6.939 1.152 -9.159 1.00 0.00 C ATOM 167 CG LEU A 15 5.926 1.996 -9.933 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.575 3.255 -9.156 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.470 2.352 -11.309 1.00 0.00 C ATOM 0 H LEU A 15 8.261 0.248 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 15 5.627 0.713 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.628 1.825 -8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.527 0.578 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 15 5.017 1.409 -10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.853 3.843 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.144 2.980 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.477 3.846 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.736 2.953 -11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.394 2.920 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.670 1.438 -11.869 1.00 0.00 H new ATOM 181 N VAL A 16 6.426 -1.934 -9.308 1.00 0.00 N ATOM 182 CA VAL A 16 5.872 -3.090 -10.003 1.00 0.00 C ATOM 183 C VAL A 16 5.256 -4.079 -9.019 1.00 0.00 C ATOM 184 O VAL A 16 4.249 -4.721 -9.318 1.00 0.00 O ATOM 185 CB VAL A 16 6.948 -3.813 -10.835 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.323 -4.922 -11.668 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.691 -2.824 -11.720 1.00 0.00 C ATOM 0 H VAL A 16 7.442 -1.941 -9.222 1.00 0.00 H new ATOM 0 HA VAL A 16 5.097 -2.716 -10.672 1.00 0.00 H new ATOM 0 HB VAL A 16 7.667 -4.266 -10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.098 -5.422 -12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.841 -5.644 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.581 -4.496 -12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.447 -3.352 -12.301 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.986 -2.340 -12.397 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.173 -2.070 -11.098 1.00 0.00 H new ATOM 197 N TRP A 17 5.868 -4.196 -7.846 1.00 0.00 N ATOM 198 CA TRP A 17 5.379 -5.108 -6.818 1.00 0.00 C ATOM 199 C TRP A 17 3.867 -4.992 -6.662 1.00 0.00 C ATOM 200 O TRP A 17 3.156 -5.997 -6.655 1.00 0.00 O ATOM 201 CB TRP A 17 6.066 -4.817 -5.482 1.00 0.00 C ATOM 202 CG TRP A 17 5.804 -5.862 -4.440 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.363 -7.105 -4.367 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.915 -5.754 -3.323 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.876 -7.777 -3.273 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.986 -6.970 -2.615 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.067 -4.749 -2.850 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.241 -7.205 -1.462 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.328 -4.983 -1.707 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.419 -6.203 -1.023 1.00 0.00 C ATOM 0 H TRP A 17 6.703 -3.672 -7.583 1.00 0.00 H new ATOM 0 HA TRP A 17 5.616 -6.126 -7.127 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.141 -4.737 -5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.727 -3.850 -5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.083 -7.502 -5.067 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.135 -8.724 -2.995 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.991 -3.805 -3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.310 -8.144 -0.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.669 -4.213 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.829 -6.355 -0.132 1.00 0.00 H new ATOM 221 N CYS A 18 3.382 -3.761 -6.538 1.00 0.00 N ATOM 222 CA CYS A 18 1.953 -3.515 -6.381 1.00 0.00 C ATOM 223 C CYS A 18 1.202 -3.830 -7.672 1.00 0.00 C ATOM 224 O CYS A 18 0.269 -4.633 -7.680 1.00 0.00 O ATOM 225 CB CYS A 18 1.706 -2.061 -5.975 1.00 0.00 C ATOM 226 SG CYS A 18 -0.039 -1.644 -5.749 1.00 0.00 S ATOM 0 H CYS A 18 3.957 -2.919 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 18 1.580 -4.172 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.240 -1.858 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.130 -1.406 -6.736 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.647 -2.629 -5.157 1.00 0.00 H new ATOM 232 N LYS A 19 1.615 -3.190 -8.761 1.00 0.00 N ATOM 233 CA LYS A 19 0.983 -3.400 -10.058 1.00 0.00 C ATOM 234 C LYS A 19 0.926 -4.885 -10.401 1.00 0.00 C ATOM 235 O LYS A 19 0.161 -5.301 -11.270 1.00 0.00 O ATOM 236 CB LYS A 19 1.744 -2.642 -11.148 1.00 0.00 C ATOM 237 CG LYS A 19 1.686 -1.133 -10.992 1.00 0.00 C ATOM 238 CD LYS A 19 2.807 -0.450 -11.758 1.00 0.00 C ATOM 239 CE LYS A 19 2.481 -0.335 -13.239 1.00 0.00 C ATOM 240 NZ LYS A 19 2.842 -1.573 -13.984 1.00 0.00 N ATOM 0 H LYS A 19 2.385 -2.521 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.037 -3.018 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.787 -2.960 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.335 -2.914 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.724 -0.766 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.754 -0.873 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.979 0.544 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.732 -1.013 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.417 -0.134 -13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.017 0.514 -13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.160 -1.322 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.608 -2.068 -13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.011 -2.195 -14.047 1.00 0.00 H new ATOM 254 N GLU A 20 1.740 -5.679 -9.712 1.00 0.00 N ATOM 255 CA GLU A 20 1.781 -7.118 -9.945 1.00 0.00 C ATOM 256 C GLU A 20 0.642 -7.820 -9.211 1.00 0.00 C ATOM 257 O GLU A 20 -0.165 -8.523 -9.821 1.00 0.00 O ATOM 258 CB GLU A 20 3.125 -7.692 -9.492 1.00 0.00 C ATOM 259 CG GLU A 20 3.491 -8.998 -10.178 1.00 0.00 C ATOM 260 CD GLU A 20 3.355 -8.923 -11.687 1.00 0.00 C ATOM 261 OE1 GLU A 20 3.906 -7.975 -12.285 1.00 0.00 O ATOM 262 OE2 GLU A 20 2.697 -9.810 -12.269 1.00 0.00 O ATOM 0 H GLU A 20 2.379 -5.350 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 20 1.662 -7.291 -11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.908 -6.958 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.097 -7.853 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.517 -9.263 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.852 -9.795 -9.799 1.00 0.00 H new ATOM 269 N VAL A 21 0.583 -7.626 -7.897 1.00 0.00 N ATOM 270 CA VAL A 21 -0.456 -8.239 -7.079 1.00 0.00 C ATOM 271 C VAL A 21 -1.822 -7.631 -7.379 1.00 0.00 C ATOM 272 O VAL A 21 -2.858 -8.234 -7.097 1.00 0.00 O ATOM 273 CB VAL A 21 -0.155 -8.081 -5.577 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.319 -8.336 -5.299 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.566 -6.698 -5.094 1.00 0.00 C ATOM 0 H VAL A 21 1.243 -7.049 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.470 -9.300 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.737 -8.820 -5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.514 -8.220 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.577 -9.349 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.924 -7.622 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.346 -6.604 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.012 -5.940 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.635 -6.558 -5.257 1.00 0.00 H new ATOM 285 N THR A 22 -1.817 -6.432 -7.954 1.00 0.00 N ATOM 286 CA THR A 22 -3.055 -5.741 -8.292 1.00 0.00 C ATOM 287 C THR A 22 -3.314 -5.780 -9.793 1.00 0.00 C ATOM 288 O THR A 22 -3.991 -4.909 -10.340 1.00 0.00 O ATOM 289 CB THR A 22 -3.024 -4.274 -7.825 1.00 0.00 C ATOM 290 OG1 THR A 22 -2.045 -3.543 -8.571 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.709 -4.185 -6.339 1.00 0.00 C ATOM 0 H THR A 22 -0.969 -5.919 -8.195 1.00 0.00 H new ATOM 0 HA THR A 22 -3.860 -6.262 -7.774 1.00 0.00 H new ATOM 0 HB THR A 22 -4.009 -3.840 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.160 -3.938 -8.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.693 -3.139 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.473 -4.717 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.735 -4.635 -6.146 1.00 0.00 H new ATOM 387 N VAL A 28 -6.904 0.051 -9.984 1.00 0.00 N ATOM 388 CA VAL A 28 -5.700 0.025 -9.161 1.00 0.00 C ATOM 389 C VAL A 28 -4.463 0.361 -9.987 1.00 0.00 C ATOM 390 O VAL A 28 -3.886 -0.507 -10.643 1.00 0.00 O ATOM 391 CB VAL A 28 -5.504 -1.352 -8.499 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.330 -1.316 -7.532 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.777 -1.787 -7.789 1.00 0.00 C ATOM 0 HA VAL A 28 -5.830 0.778 -8.384 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.281 -2.082 -9.277 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.206 -2.297 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.421 -1.051 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.520 -0.574 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.621 -2.762 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.032 -1.058 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.591 -1.854 -8.510 1.00 0.00 H new ATOM 403 N LYS A 29 -4.060 1.626 -9.950 1.00 0.00 N ATOM 404 CA LYS A 29 -2.890 2.079 -10.692 1.00 0.00 C ATOM 405 C LYS A 29 -1.840 2.661 -9.751 1.00 0.00 C ATOM 406 O LYS A 29 -2.174 3.307 -8.758 1.00 0.00 O ATOM 407 CB LYS A 29 -3.294 3.126 -11.733 1.00 0.00 C ATOM 408 CG LYS A 29 -3.573 4.496 -11.140 1.00 0.00 C ATOM 409 CD LYS A 29 -3.439 5.592 -12.184 1.00 0.00 C ATOM 410 CE LYS A 29 -3.257 6.957 -11.538 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.302 6.908 -10.396 1.00 0.00 N ATOM 0 H LYS A 29 -4.527 2.357 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.458 1.217 -11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.500 3.215 -12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.183 2.779 -12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.578 4.514 -10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.881 4.687 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.588 5.378 -12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.326 5.603 -12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.896 7.666 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.222 7.325 -11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.855 7.840 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.813 6.656 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.570 6.194 -10.586 1.00 0.00 H new ATOM 425 N ILE A 30 -0.571 2.429 -10.072 1.00 0.00 N ATOM 426 CA ILE A 30 0.526 2.934 -9.256 1.00 0.00 C ATOM 427 C ILE A 30 1.408 3.890 -10.051 1.00 0.00 C ATOM 428 O ILE A 30 2.616 3.684 -10.173 1.00 0.00 O ATOM 429 CB ILE A 30 1.396 1.785 -8.711 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.563 0.868 -7.813 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.589 2.341 -7.948 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.101 -0.268 -8.560 1.00 0.00 C ATOM 0 H ILE A 30 -0.278 1.895 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 30 0.077 3.469 -8.419 1.00 0.00 H new ATOM 0 HB ILE A 30 1.768 1.199 -9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.204 0.455 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.203 1.461 -7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.194 1.518 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.192 2.958 -8.615 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.237 2.947 -7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.674 -0.877 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.768 0.138 -9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.661 -0.884 -9.037 1.00 0.00 H new ATOM 444 N THR A 31 0.796 4.940 -10.591 1.00 0.00 N ATOM 445 CA THR A 31 1.525 5.930 -11.374 1.00 0.00 C ATOM 446 C THR A 31 2.367 6.830 -10.477 1.00 0.00 C ATOM 447 O THR A 31 3.285 7.502 -10.943 1.00 0.00 O ATOM 448 CB THR A 31 0.567 6.805 -12.205 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.209 5.982 -13.084 1.00 0.00 O ATOM 450 CG2 THR A 31 1.340 7.834 -13.016 1.00 0.00 C ATOM 0 H THR A 31 -0.203 5.126 -10.500 1.00 0.00 H new ATOM 0 HA THR A 31 2.180 5.379 -12.049 1.00 0.00 H new ATOM 0 HB THR A 31 -0.097 7.331 -11.519 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.817 6.545 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.643 8.440 -13.594 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.907 8.477 -12.343 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.025 7.324 -13.693 1.00 0.00 H new ATOM 458 N ASN A 32 2.047 6.837 -9.187 1.00 0.00 N ATOM 459 CA ASN A 32 2.776 7.655 -8.224 1.00 0.00 C ATOM 460 C ASN A 32 2.861 6.955 -6.871 1.00 0.00 C ATOM 461 O ASN A 32 2.295 5.878 -6.679 1.00 0.00 O ATOM 462 CB ASN A 32 2.098 9.017 -8.064 1.00 0.00 C ATOM 463 CG ASN A 32 1.631 9.589 -9.389 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.410 9.709 -10.334 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.354 9.946 -9.462 1.00 0.00 N ATOM 0 H ASN A 32 1.289 6.286 -8.785 1.00 0.00 H new ATOM 0 HA ASN A 32 3.788 7.802 -8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.245 8.919 -7.393 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.793 9.713 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.017 10.338 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.256 9.828 -8.653 1.00 0.00 H new ATOM 472 N PHE A 33 3.572 7.575 -5.934 1.00 0.00 N ATOM 473 CA PHE A 33 3.732 7.012 -4.598 1.00 0.00 C ATOM 474 C PHE A 33 3.200 7.970 -3.537 1.00 0.00 C ATOM 475 O PHE A 33 3.619 7.929 -2.380 1.00 0.00 O ATOM 476 CB PHE A 33 5.205 6.699 -4.327 1.00 0.00 C ATOM 477 CG PHE A 33 5.607 5.310 -4.732 1.00 0.00 C ATOM 478 CD1 PHE A 33 5.008 4.204 -4.151 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.584 5.109 -5.694 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.377 2.924 -4.521 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.957 3.832 -6.068 1.00 0.00 C ATOM 482 CZ PHE A 33 6.352 2.738 -5.482 1.00 0.00 C ATOM 0 H PHE A 33 4.046 8.467 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 33 3.156 6.088 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.825 7.419 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.407 6.832 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.244 4.343 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.060 5.961 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.903 2.070 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.721 3.690 -6.818 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.640 1.739 -5.774 1.00 0.00 H new ATOM 492 N THR A 34 2.274 8.835 -3.940 1.00 0.00 N ATOM 493 CA THR A 34 1.686 9.805 -3.025 1.00 0.00 C ATOM 494 C THR A 34 0.170 9.858 -3.180 1.00 0.00 C ATOM 495 O THR A 34 -0.571 9.438 -2.291 1.00 0.00 O ATOM 496 CB THR A 34 2.263 11.215 -3.254 1.00 0.00 C ATOM 497 OG1 THR A 34 2.671 11.362 -4.619 1.00 0.00 O ATOM 498 CG2 THR A 34 3.448 11.470 -2.335 1.00 0.00 C ATOM 0 H THR A 34 1.915 8.883 -4.894 1.00 0.00 H new ATOM 0 HA THR A 34 1.935 9.478 -2.015 1.00 0.00 H new ATOM 0 HB THR A 34 1.484 11.943 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.035 12.261 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.839 12.472 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.128 11.386 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.228 10.735 -2.534 1.00 0.00 H new ATOM 506 N THR A 35 -0.287 10.375 -4.317 1.00 0.00 N ATOM 507 CA THR A 35 -1.714 10.483 -4.588 1.00 0.00 C ATOM 508 C THR A 35 -2.314 9.123 -4.924 1.00 0.00 C ATOM 509 O THR A 35 -3.480 8.858 -4.631 1.00 0.00 O ATOM 510 CB THR A 35 -1.994 11.455 -5.750 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.204 11.097 -6.889 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.684 12.888 -5.342 1.00 0.00 C ATOM 0 H THR A 35 0.312 10.725 -5.065 1.00 0.00 H new ATOM 0 HA THR A 35 -2.179 10.869 -3.681 1.00 0.00 H new ATOM 0 HB THR A 35 -3.051 11.387 -6.006 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.389 11.718 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.889 13.557 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.307 13.167 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.633 12.968 -5.063 1.00 0.00 H new ATOM 520 N SER A 36 -1.510 8.262 -5.540 1.00 0.00 N ATOM 521 CA SER A 36 -1.963 6.929 -5.919 1.00 0.00 C ATOM 522 C SER A 36 -2.373 6.124 -4.689 1.00 0.00 C ATOM 523 O SER A 36 -3.235 5.249 -4.765 1.00 0.00 O ATOM 524 CB SER A 36 -0.862 6.190 -6.682 1.00 0.00 C ATOM 525 OG SER A 36 -0.937 6.457 -8.071 1.00 0.00 O ATOM 0 H SER A 36 -0.541 8.464 -5.787 1.00 0.00 H new ATOM 0 HA SER A 36 -2.833 7.039 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.114 6.493 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.952 5.118 -6.509 1.00 0.00 H new ATOM 0 HG SER A 36 -0.600 5.684 -8.571 1.00 0.00 H new ATOM 531 N TRP A 37 -1.747 6.427 -3.557 1.00 0.00 N ATOM 532 CA TRP A 37 -2.046 5.733 -2.310 1.00 0.00 C ATOM 533 C TRP A 37 -2.833 6.631 -1.362 1.00 0.00 C ATOM 534 O TRP A 37 -3.468 6.151 -0.422 1.00 0.00 O ATOM 535 CB TRP A 37 -0.752 5.270 -1.637 1.00 0.00 C ATOM 536 CG TRP A 37 0.183 4.563 -2.571 1.00 0.00 C ATOM 537 CD1 TRP A 37 1.040 5.139 -3.465 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.352 3.148 -2.704 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.732 4.167 -4.146 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.330 2.937 -3.697 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.224 2.038 -2.080 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.740 1.662 -4.078 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.184 0.773 -2.461 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.158 0.594 -3.451 1.00 0.00 C ATOM 0 H TRP A 37 -1.030 7.148 -3.477 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.657 4.862 -2.546 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.243 6.134 -1.210 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.999 4.605 -0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.157 6.202 -3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.432 4.334 -4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.974 2.166 -1.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.491 1.521 -4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.256 -0.092 -1.987 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.456 -0.407 -3.725 1.00 0.00 H new ATOM 555 N ARG A 38 -2.788 7.935 -1.614 1.00 0.00 N ATOM 556 CA ARG A 38 -3.497 8.899 -0.782 1.00 0.00 C ATOM 557 C ARG A 38 -4.849 8.346 -0.340 1.00 0.00 C ATOM 558 O ARG A 38 -5.187 8.377 0.842 1.00 0.00 O ATOM 559 CB ARG A 38 -3.694 10.212 -1.541 1.00 0.00 C ATOM 560 CG ARG A 38 -4.921 10.993 -1.100 1.00 0.00 C ATOM 561 CD ARG A 38 -4.762 12.481 -1.368 1.00 0.00 C ATOM 562 NE ARG A 38 -5.995 13.219 -1.108 1.00 0.00 N ATOM 563 CZ ARG A 38 -7.061 13.171 -1.899 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.046 12.424 -2.994 1.00 0.00 N ATOM 565 NH2 ARG A 38 -8.146 13.872 -1.594 1.00 0.00 N ATOM 0 H ARG A 38 -2.268 8.348 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.894 9.088 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.810 10.835 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.774 9.997 -2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.799 10.620 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.094 10.831 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.963 12.879 -0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.461 12.632 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.040 13.803 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.214 11.884 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.866 12.389 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.161 14.448 -0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.965 13.835 -2.202 1.00 0.00 H new ATOM 579 N ASN A 39 -5.617 7.841 -1.299 1.00 0.00 N ATOM 580 CA ASN A 39 -6.933 7.282 -1.010 1.00 0.00 C ATOM 581 C ASN A 39 -6.815 6.041 -0.130 1.00 0.00 C ATOM 582 O ASN A 39 -7.420 5.965 0.938 1.00 0.00 O ATOM 583 CB ASN A 39 -7.659 6.932 -2.310 1.00 0.00 C ATOM 584 CG ASN A 39 -6.703 6.526 -3.415 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.528 6.255 -3.166 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.203 6.483 -4.644 1.00 0.00 N ATOM 0 H ASN A 39 -5.351 7.807 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.509 8.034 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.361 6.119 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.245 7.790 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.607 6.217 -5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.183 6.716 -4.804 1.00 0.00 H new ATOM 593 N GLY A 40 -6.031 5.070 -0.588 1.00 0.00 N ATOM 594 CA GLY A 40 -5.847 3.846 0.169 1.00 0.00 C ATOM 595 C GLY A 40 -6.323 2.620 -0.586 1.00 0.00 C ATOM 596 O GLY A 40 -6.701 1.617 0.020 1.00 0.00 O ATOM 0 H GLY A 40 -5.520 5.109 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.792 3.730 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.388 3.921 1.112 1.00 0.00 H new ATOM 600 N LEU A 41 -6.308 2.701 -1.912 1.00 0.00 N ATOM 601 CA LEU A 41 -6.743 1.590 -2.751 1.00 0.00 C ATOM 602 C LEU A 41 -5.655 0.527 -2.855 1.00 0.00 C ATOM 603 O LEU A 41 -5.793 -0.572 -2.317 1.00 0.00 O ATOM 604 CB LEU A 41 -7.114 2.095 -4.147 1.00 0.00 C ATOM 605 CG LEU A 41 -8.405 2.908 -4.245 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.688 3.287 -5.691 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.573 2.129 -3.658 1.00 0.00 C ATOM 0 H LEU A 41 -5.999 3.524 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.621 1.140 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.293 2.708 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.198 1.236 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.279 3.824 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.611 3.865 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.863 3.885 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.793 2.383 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.483 2.724 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.701 1.196 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.373 1.909 -2.609 1.00 0.00 H new ATOM 619 N SER A 42 -4.571 0.862 -3.548 1.00 0.00 N ATOM 620 CA SER A 42 -3.459 -0.065 -3.723 1.00 0.00 C ATOM 621 C SER A 42 -3.135 -0.779 -2.415 1.00 0.00 C ATOM 622 O SER A 42 -2.727 -1.940 -2.412 1.00 0.00 O ATOM 623 CB SER A 42 -2.223 0.680 -4.231 1.00 0.00 C ATOM 624 OG SER A 42 -2.419 1.154 -5.552 1.00 0.00 O ATOM 0 H SER A 42 -4.439 1.768 -3.997 1.00 0.00 H new ATOM 0 HA SER A 42 -3.753 -0.812 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.003 1.518 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.358 0.017 -4.204 1.00 0.00 H new ATOM 0 HG SER A 42 -1.783 1.876 -5.738 1.00 0.00 H new ATOM 630 N PHE A 43 -3.321 -0.075 -1.302 1.00 0.00 N ATOM 631 CA PHE A 43 -3.048 -0.640 0.014 1.00 0.00 C ATOM 632 C PHE A 43 -4.003 -1.790 0.321 1.00 0.00 C ATOM 633 O PHE A 43 -3.574 -2.897 0.649 1.00 0.00 O ATOM 634 CB PHE A 43 -3.170 0.440 1.091 1.00 0.00 C ATOM 635 CG PHE A 43 -1.940 1.291 1.228 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.685 0.710 1.316 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.038 2.672 1.268 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.448 1.491 1.443 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.909 3.459 1.394 1.00 0.00 C ATOM 640 CZ PHE A 43 0.336 2.867 1.480 1.00 0.00 C ATOM 0 H PHE A 43 -3.659 0.887 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.029 -1.028 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.021 1.080 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.382 -0.035 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.591 -0.365 1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.009 3.140 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.420 1.026 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.000 4.535 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.221 3.479 1.576 1.00 0.00 H new ATOM 650 N CYS A 44 -5.299 -1.520 0.212 1.00 0.00 N ATOM 651 CA CYS A 44 -6.316 -2.531 0.479 1.00 0.00 C ATOM 652 C CYS A 44 -6.246 -3.657 -0.548 1.00 0.00 C ATOM 653 O CYS A 44 -6.411 -4.829 -0.210 1.00 0.00 O ATOM 654 CB CYS A 44 -7.709 -1.899 0.466 1.00 0.00 C ATOM 655 SG CYS A 44 -8.051 -0.840 1.891 1.00 0.00 S ATOM 0 H CYS A 44 -5.670 -0.610 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.125 -2.951 1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.821 -1.312 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.456 -2.692 0.428 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.658 0.373 1.635 1.00 0.00 H new ATOM 661 N ALA A 45 -6.001 -3.293 -1.802 1.00 0.00 N ATOM 662 CA ALA A 45 -5.908 -4.272 -2.878 1.00 0.00 C ATOM 663 C ALA A 45 -4.791 -5.275 -2.613 1.00 0.00 C ATOM 664 O ALA A 45 -4.983 -6.484 -2.748 1.00 0.00 O ATOM 665 CB ALA A 45 -5.688 -3.573 -4.211 1.00 0.00 C ATOM 0 H ALA A 45 -5.863 -2.327 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.850 -4.820 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.621 -4.317 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.523 -2.902 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.762 -2.999 -4.172 1.00 0.00 H new ATOM 671 N ILE A 46 -3.623 -4.766 -2.235 1.00 0.00 N ATOM 672 CA ILE A 46 -2.475 -5.618 -1.951 1.00 0.00 C ATOM 673 C ILE A 46 -2.804 -6.641 -0.869 1.00 0.00 C ATOM 674 O ILE A 46 -2.609 -7.843 -1.056 1.00 0.00 O ATOM 675 CB ILE A 46 -1.255 -4.790 -1.505 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.680 -4.010 -2.689 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.196 -5.694 -0.893 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.140 -2.807 -2.279 1.00 0.00 C ATOM 0 H ILE A 46 -3.447 -3.768 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.231 -6.138 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.576 -4.076 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.058 -4.677 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.499 -3.681 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.660 -5.094 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.612 -6.207 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.125 -6.430 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.516 -2.302 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.484 -2.119 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.980 -3.131 -1.664 1.00 0.00 H new ATOM 690 N LEU A 47 -3.304 -6.157 0.262 1.00 0.00 N ATOM 691 CA LEU A 47 -3.663 -7.030 1.375 1.00 0.00 C ATOM 692 C LEU A 47 -4.794 -7.975 0.983 1.00 0.00 C ATOM 693 O LEU A 47 -4.894 -9.089 1.499 1.00 0.00 O ATOM 694 CB LEU A 47 -4.078 -6.196 2.589 1.00 0.00 C ATOM 695 CG LEU A 47 -4.383 -6.978 3.867 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.125 -7.647 4.397 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.987 -6.062 4.921 1.00 0.00 C ATOM 0 H LEU A 47 -3.470 -5.165 0.433 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.788 -7.627 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.282 -5.483 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.962 -5.616 2.322 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.110 -7.755 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.362 -8.199 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.735 -8.335 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.375 -6.888 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.198 -6.635 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.284 -5.263 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.913 -5.631 4.541 1.00 0.00 H new ATOM 709 N HIS A 48 -5.643 -7.526 0.064 1.00 0.00 N ATOM 710 CA HIS A 48 -6.766 -8.333 -0.400 1.00 0.00 C ATOM 711 C HIS A 48 -6.288 -9.445 -1.328 1.00 0.00 C ATOM 712 O HIS A 48 -6.851 -10.540 -1.344 1.00 0.00 O ATOM 713 CB HIS A 48 -7.789 -7.455 -1.121 1.00 0.00 C ATOM 714 CG HIS A 48 -9.083 -8.153 -1.404 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.251 -8.165 -0.719 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.279 -8.959 -2.506 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -11.122 -8.967 -1.414 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.512 -9.434 -2.488 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.575 -6.607 -0.374 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.239 -8.788 0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.987 -6.571 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.360 -7.108 -2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.540 -9.169 -3.265 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.141 -9.181 -1.128 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.923 -10.055 -3.185 1.00 0.00 H new ATOM 727 N HIS A 49 -5.246 -9.157 -2.102 1.00 0.00 N ATOM 728 CA HIS A 49 -4.692 -10.133 -3.034 1.00 0.00 C ATOM 729 C HIS A 49 -4.370 -11.443 -2.320 1.00 0.00 C ATOM 730 O HIS A 49 -4.915 -12.495 -2.656 1.00 0.00 O ATOM 731 CB HIS A 49 -3.433 -9.577 -3.699 1.00 0.00 C ATOM 732 CG HIS A 49 -2.927 -10.424 -4.825 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.674 -10.706 -5.950 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.740 -11.052 -4.998 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.969 -11.471 -6.764 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.791 -11.695 -6.210 1.00 0.00 N ATOM 0 H HIS A 49 -4.768 -8.256 -2.102 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.440 -10.332 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.642 -8.575 -4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.649 -9.479 -2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.907 -11.048 -4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.300 -11.849 -7.720 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.041 -12.255 -6.616 1.00 0.00 H new ATOM 745 N PHE A 50 -3.480 -11.371 -1.336 1.00 0.00 N ATOM 746 CA PHE A 50 -3.083 -12.552 -0.577 1.00 0.00 C ATOM 747 C PHE A 50 -4.278 -13.153 0.157 1.00 0.00 C ATOM 748 O PHE A 50 -4.544 -14.351 0.054 1.00 0.00 O ATOM 749 CB PHE A 50 -1.983 -12.194 0.425 1.00 0.00 C ATOM 750 CG PHE A 50 -0.850 -11.416 -0.182 1.00 0.00 C ATOM 751 CD1 PHE A 50 0.117 -12.054 -0.942 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.752 -10.047 0.009 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.161 -11.342 -1.501 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.289 -9.330 -0.549 1.00 0.00 C ATOM 755 CZ PHE A 50 1.247 -9.978 -1.304 1.00 0.00 C ATOM 0 H PHE A 50 -3.020 -10.508 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.699 -13.293 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.418 -11.613 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.590 -13.111 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.054 -13.121 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.497 -9.535 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.908 -11.851 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.354 -8.263 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.062 -9.419 -1.740 1.00 0.00 H new ATOM 765 N ARG A 51 -4.995 -12.313 0.897 1.00 0.00 N ATOM 766 CA ARG A 51 -6.160 -12.762 1.650 1.00 0.00 C ATOM 767 C ARG A 51 -7.342 -11.822 1.432 1.00 0.00 C ATOM 768 O ARG A 51 -7.488 -10.802 2.107 1.00 0.00 O ATOM 769 CB ARG A 51 -5.829 -12.846 3.141 1.00 0.00 C ATOM 770 CG ARG A 51 -6.708 -13.823 3.905 1.00 0.00 C ATOM 771 CD ARG A 51 -6.314 -15.265 3.623 1.00 0.00 C ATOM 772 NE ARG A 51 -5.292 -15.744 4.550 1.00 0.00 N ATOM 773 CZ ARG A 51 -4.993 -17.028 4.715 1.00 0.00 C ATOM 774 NH1 ARG A 51 -5.636 -17.956 4.020 1.00 0.00 N ATOM 775 NH2 ARG A 51 -4.050 -17.385 5.577 1.00 0.00 N ATOM 0 H ARG A 51 -4.790 -11.318 0.991 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.435 -13.754 1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.786 -13.141 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.931 -11.855 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.629 -13.626 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.751 -13.669 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.195 -15.902 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.943 -15.346 2.601 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.780 -15.055 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.362 -17.685 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.405 -18.941 4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.554 -16.674 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.821 -18.371 5.703 1.00 0.00 H new ATOM 789 N PRO A 52 -8.206 -12.170 0.468 1.00 0.00 N ATOM 790 CA PRO A 52 -9.390 -11.371 0.139 1.00 0.00 C ATOM 791 C PRO A 52 -10.446 -11.420 1.238 1.00 0.00 C ATOM 792 O PRO A 52 -11.509 -10.811 1.118 1.00 0.00 O ATOM 793 CB PRO A 52 -9.918 -12.028 -1.139 1.00 0.00 C ATOM 794 CG PRO A 52 -9.425 -13.432 -1.075 1.00 0.00 C ATOM 795 CD PRO A 52 -8.094 -13.372 -0.376 1.00 0.00 C ATOM 0 HA PRO A 52 -9.149 -10.314 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.007 -11.992 -1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.547 -11.518 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.124 -14.067 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.322 -13.856 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.913 -14.266 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.271 -13.290 -1.086 1.00 0.00 H new ATOM 803 N ASP A 53 -10.146 -12.147 2.308 1.00 0.00 N ATOM 804 CA ASP A 53 -11.069 -12.274 3.430 1.00 0.00 C ATOM 805 C ASP A 53 -10.571 -11.484 4.636 1.00 0.00 C ATOM 806 O ASP A 53 -10.977 -11.740 5.770 1.00 0.00 O ATOM 807 CB ASP A 53 -11.247 -13.746 3.808 1.00 0.00 C ATOM 808 CG ASP A 53 -12.045 -14.516 2.774 1.00 0.00 C ATOM 809 OD1 ASP A 53 -11.996 -14.138 1.585 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.718 -15.497 3.154 1.00 0.00 O ATOM 0 H ASP A 53 -9.271 -12.658 2.422 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.032 -11.866 3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.267 -14.209 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.749 -13.812 4.773 1.00 0.00 H new ATOM 815 N LEU A 54 -9.689 -10.523 4.383 1.00 0.00 N ATOM 816 CA LEU A 54 -9.134 -9.695 5.448 1.00 0.00 C ATOM 817 C LEU A 54 -9.708 -8.282 5.395 1.00 0.00 C ATOM 818 O LEU A 54 -9.915 -7.647 6.429 1.00 0.00 O ATOM 819 CB LEU A 54 -7.609 -9.642 5.338 1.00 0.00 C ATOM 820 CG LEU A 54 -6.843 -10.721 6.105 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.360 -10.660 5.775 1.00 0.00 C ATOM 822 CD2 LEU A 54 -7.065 -10.570 7.603 1.00 0.00 C ATOM 0 H LEU A 54 -9.343 -10.298 3.450 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.408 -10.143 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.338 -9.712 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.273 -8.667 5.690 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.222 -11.696 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.832 -11.435 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.218 -10.819 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.966 -9.682 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.513 -11.346 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.714 -9.590 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.128 -10.666 7.825 1.00 0.00 H new ATOM 834 N ILE A 55 -9.965 -7.799 4.184 1.00 0.00 N ATOM 835 CA ILE A 55 -10.518 -6.464 3.997 1.00 0.00 C ATOM 836 C ILE A 55 -11.835 -6.517 3.230 1.00 0.00 C ATOM 837 O ILE A 55 -12.305 -7.592 2.856 1.00 0.00 O ATOM 838 CB ILE A 55 -9.535 -5.547 3.244 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.094 -5.999 3.489 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.723 -4.101 3.676 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.594 -7.002 2.474 1.00 0.00 C ATOM 0 H ILE A 55 -9.799 -8.312 3.318 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.695 -6.054 4.991 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.741 -5.616 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.441 -5.126 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.023 -6.436 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.022 -3.466 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.743 -3.785 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.540 -4.014 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.566 -7.277 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.223 -7.892 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.632 -6.561 1.478 1.00 0.00 H new ATOM 853 N ASP A 56 -12.424 -5.350 2.996 1.00 0.00 N ATOM 854 CA ASP A 56 -13.686 -5.262 2.270 1.00 0.00 C ATOM 855 C ASP A 56 -13.489 -4.585 0.918 1.00 0.00 C ATOM 856 O ASP A 56 -14.387 -3.909 0.414 1.00 0.00 O ATOM 857 CB ASP A 56 -14.721 -4.494 3.094 1.00 0.00 C ATOM 858 CG ASP A 56 -16.143 -4.909 2.771 1.00 0.00 C ATOM 859 OD1 ASP A 56 -16.457 -5.068 1.572 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.941 -5.077 3.716 1.00 0.00 O ATOM 0 H ASP A 56 -12.048 -4.451 3.298 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.050 -6.275 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.530 -4.657 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.607 -3.426 2.910 1.00 0.00 H new ATOM 865 N TYR A 57 -12.309 -4.769 0.336 1.00 0.00 N ATOM 866 CA TYR A 57 -11.993 -4.173 -0.957 1.00 0.00 C ATOM 867 C TYR A 57 -13.007 -4.597 -2.015 1.00 0.00 C ATOM 868 O TYR A 57 -13.166 -3.934 -3.040 1.00 0.00 O ATOM 869 CB TYR A 57 -10.583 -4.573 -1.395 1.00 0.00 C ATOM 870 CG TYR A 57 -10.127 -3.889 -2.664 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.675 -4.229 -3.895 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.149 -2.903 -2.632 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.260 -3.607 -5.057 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.729 -2.275 -3.789 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.288 -2.631 -4.999 1.00 0.00 C ATOM 876 OH TYR A 57 -8.873 -2.009 -6.154 1.00 0.00 O ATOM 0 H TYR A 57 -11.556 -5.326 0.739 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.039 -3.089 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.882 -4.338 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.550 -5.653 -1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.438 -4.992 -3.944 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.709 -2.622 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.695 -3.884 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.968 -1.510 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.896 -1.037 -6.029 1.00 0.00 H new ATOM 886 N LYS A 58 -13.690 -5.707 -1.759 1.00 0.00 N ATOM 887 CA LYS A 58 -14.690 -6.222 -2.686 1.00 0.00 C ATOM 888 C LYS A 58 -15.857 -5.249 -2.823 1.00 0.00 C ATOM 889 O LYS A 58 -16.605 -5.295 -3.800 1.00 0.00 O ATOM 890 CB LYS A 58 -15.202 -7.584 -2.213 1.00 0.00 C ATOM 891 CG LYS A 58 -15.871 -7.543 -0.851 1.00 0.00 C ATOM 892 CD LYS A 58 -16.544 -8.865 -0.520 1.00 0.00 C ATOM 893 CE LYS A 58 -17.846 -9.035 -1.289 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.928 -8.168 -0.745 1.00 0.00 N ATOM 0 H LYS A 58 -13.569 -6.268 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.218 -6.337 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.911 -7.970 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.367 -8.284 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.129 -7.310 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.610 -6.742 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.870 -9.688 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.743 -8.915 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.682 -8.795 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.160 -10.078 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.841 -8.454 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.965 -8.267 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.735 -7.176 -0.991 1.00 0.00 H new ATOM 908 N SER A 59 -16.006 -4.368 -1.839 1.00 0.00 N ATOM 909 CA SER A 59 -17.084 -3.386 -1.848 1.00 0.00 C ATOM 910 C SER A 59 -16.558 -1.999 -1.489 1.00 0.00 C ATOM 911 O SER A 59 -17.298 -1.153 -0.986 1.00 0.00 O ATOM 912 CB SER A 59 -18.185 -3.796 -0.869 1.00 0.00 C ATOM 913 OG SER A 59 -19.307 -2.937 -0.975 1.00 0.00 O ATOM 0 H SER A 59 -15.394 -4.314 -1.025 1.00 0.00 H new ATOM 0 HA SER A 59 -17.500 -3.349 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.489 -4.823 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.798 -3.770 0.150 1.00 0.00 H new ATOM 0 HG SER A 59 -19.005 -2.005 -0.983 1.00 0.00 H new ATOM 919 N LEU A 60 -15.275 -1.774 -1.750 1.00 0.00 N ATOM 920 CA LEU A 60 -14.648 -0.491 -1.455 1.00 0.00 C ATOM 921 C LEU A 60 -14.775 0.463 -2.638 1.00 0.00 C ATOM 922 O LEU A 60 -15.430 0.150 -3.632 1.00 0.00 O ATOM 923 CB LEU A 60 -13.173 -0.690 -1.103 1.00 0.00 C ATOM 924 CG LEU A 60 -12.874 -1.069 0.348 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.393 -0.901 0.650 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.713 -0.231 1.302 1.00 0.00 C ATOM 0 H LEU A 60 -14.649 -2.464 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.163 -0.052 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.767 -1.467 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.638 0.231 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.136 -2.117 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.200 -1.175 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.812 -1.545 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.105 0.138 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.487 -0.514 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.483 0.825 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.771 -0.402 1.103 1.00 0.00 H new ATOM 938 N ASN A 61 -14.143 1.627 -2.525 1.00 0.00 N ATOM 939 CA ASN A 61 -14.185 2.625 -3.587 1.00 0.00 C ATOM 940 C ASN A 61 -13.256 3.794 -3.271 1.00 0.00 C ATOM 941 O ASN A 61 -12.869 4.019 -2.124 1.00 0.00 O ATOM 942 CB ASN A 61 -15.614 3.134 -3.781 1.00 0.00 C ATOM 943 CG ASN A 61 -16.417 2.258 -4.723 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.836 1.939 -5.874 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.546 1.871 -4.419 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.596 1.902 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.846 2.153 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.115 3.178 -2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.585 4.151 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.954 2.141 -3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.073 1.281 -5.063 1.00 0.00 H new ATOM 952 N PRO A 62 -12.888 4.556 -4.312 1.00 0.00 N ATOM 953 CA PRO A 62 -12.001 5.714 -4.171 1.00 0.00 C ATOM 954 C PRO A 62 -12.670 6.870 -3.435 1.00 0.00 C ATOM 955 O PRO A 62 -12.089 7.946 -3.293 1.00 0.00 O ATOM 956 CB PRO A 62 -11.697 6.106 -5.619 1.00 0.00 C ATOM 957 CG PRO A 62 -12.860 5.600 -6.401 1.00 0.00 C ATOM 958 CD PRO A 62 -13.311 4.345 -5.707 1.00 0.00 C ATOM 0 HA PRO A 62 -11.114 5.479 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.590 7.186 -5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.764 5.659 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.661 6.339 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.577 5.395 -7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.390 4.209 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.846 3.458 -6.138 1.00 0.00 H new ATOM 966 N GLN A 63 -13.894 6.641 -2.970 1.00 0.00 N ATOM 967 CA GLN A 63 -14.641 7.664 -2.249 1.00 0.00 C ATOM 968 C GLN A 63 -14.227 7.709 -0.782 1.00 0.00 C ATOM 969 O GLN A 63 -14.680 8.567 -0.025 1.00 0.00 O ATOM 970 CB GLN A 63 -16.144 7.401 -2.359 1.00 0.00 C ATOM 971 CG GLN A 63 -16.547 5.994 -1.949 1.00 0.00 C ATOM 972 CD GLN A 63 -16.051 5.625 -0.564 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.222 6.382 0.391 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.431 4.456 -0.449 1.00 0.00 N ATOM 0 H GLN A 63 -14.389 5.756 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.414 8.629 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.677 8.119 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.461 7.576 -3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.633 5.909 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.153 5.282 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.311 3.860 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.075 4.155 0.458 1.00 0.00 H new ATOM 983 N ASP A 64 -13.363 6.780 -0.388 1.00 0.00 N ATOM 984 CA ASP A 64 -12.886 6.713 0.989 1.00 0.00 C ATOM 985 C ASP A 64 -11.371 6.881 1.048 1.00 0.00 C ATOM 986 O ASP A 64 -10.624 6.030 0.565 1.00 0.00 O ATOM 987 CB ASP A 64 -13.290 5.383 1.627 1.00 0.00 C ATOM 988 CG ASP A 64 -14.664 5.441 2.265 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.122 6.557 2.589 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.282 4.370 2.439 1.00 0.00 O ATOM 0 H ASP A 64 -12.978 6.063 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.346 7.529 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.278 4.601 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.554 5.107 2.382 1.00 0.00 H new ATOM 995 N ILE A 65 -10.926 7.983 1.642 1.00 0.00 N ATOM 996 CA ILE A 65 -9.501 8.262 1.764 1.00 0.00 C ATOM 997 C ILE A 65 -8.981 7.876 3.145 1.00 0.00 C ATOM 998 O ILE A 65 -7.914 7.276 3.274 1.00 0.00 O ATOM 999 CB ILE A 65 -9.194 9.749 1.509 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.785 10.192 0.170 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.692 9.993 1.539 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.433 11.615 -0.206 1.00 0.00 C ATOM 0 H ILE A 65 -11.532 8.697 2.046 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.996 7.661 1.008 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.654 10.341 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.433 9.520 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.870 10.093 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.491 11.049 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.297 9.711 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.211 9.394 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.886 11.860 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.809 12.297 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.350 11.715 -0.280 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.744 8.224 4.176 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.364 7.912 5.549 1.00 0.00 C ATOM 1016 C LYS A 66 -9.625 6.443 5.865 1.00 0.00 C ATOM 1017 O LYS A 66 -8.739 5.735 6.343 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.136 8.800 6.527 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.618 8.726 7.954 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.895 10.012 8.715 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.327 10.060 9.226 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.706 11.424 9.687 1.00 0.00 N ATOM 0 H LYS A 66 -10.629 8.722 4.087 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.297 8.105 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.086 9.833 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.187 8.511 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.088 7.889 8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.545 8.532 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.205 10.095 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.711 10.867 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.006 9.743 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.443 9.354 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.689 11.415 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.075 11.717 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.620 12.094 8.896 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.846 5.991 5.594 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.221 4.606 5.850 1.00 0.00 C ATOM 1038 C GLU A 67 -10.285 3.645 5.123 1.00 0.00 C ATOM 1039 O GLU A 67 -9.532 2.901 5.750 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.666 4.356 5.412 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.183 2.975 5.779 1.00 0.00 C ATOM 1042 CD GLU A 67 -13.803 2.933 7.162 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -13.323 3.668 8.050 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.768 2.165 7.357 1.00 0.00 O ATOM 0 H GLU A 67 -11.591 6.564 5.198 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.137 4.427 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.310 5.109 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.737 4.486 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.923 2.661 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.362 2.259 5.731 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.339 3.667 3.795 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.497 2.798 2.981 1.00 0.00 C ATOM 1053 C ASN A 68 -8.137 2.586 3.640 1.00 0.00 C ATOM 1054 O ASN A 68 -7.671 1.455 3.776 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.312 3.394 1.584 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.482 3.091 0.667 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.431 2.412 1.058 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.417 3.596 -0.559 1.00 0.00 N ATOM 0 H ASN A 68 -10.957 4.277 3.260 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.993 1.832 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.188 4.474 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.396 3.001 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.174 3.427 -1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.610 4.153 -0.839 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.506 3.682 4.047 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.199 3.617 4.692 1.00 0.00 C ATOM 1067 C ASN A 69 -6.280 2.852 6.009 1.00 0.00 C ATOM 1068 O ASN A 69 -5.515 1.917 6.246 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.658 5.026 4.939 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.937 5.590 3.730 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.720 5.775 3.749 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.688 5.865 2.669 1.00 0.00 N ATOM 0 H ASN A 69 -7.878 4.626 3.942 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.519 3.086 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.482 5.687 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.976 5.006 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.259 6.246 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.693 5.696 2.698 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.214 3.256 6.865 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.398 2.609 8.158 1.00 0.00 C ATOM 1081 C LYS A 70 -7.563 1.102 7.994 1.00 0.00 C ATOM 1082 O LYS A 70 -6.965 0.317 8.731 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.619 3.192 8.873 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.046 2.396 10.095 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.143 2.674 11.285 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.460 4.017 11.923 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.520 3.901 12.963 1.00 0.00 N ATOM 0 H LYS A 70 -7.855 4.029 6.686 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.508 2.795 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.398 4.216 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.452 3.240 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.075 2.646 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.025 1.331 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.260 1.882 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.101 2.659 10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.556 4.429 12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.782 4.718 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.707 4.838 13.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.391 3.532 12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.203 3.252 13.711 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.376 0.702 7.023 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.618 -0.711 6.760 1.00 0.00 C ATOM 1103 C LYS A 71 -7.304 -1.481 6.674 1.00 0.00 C ATOM 1104 O LYS A 71 -7.076 -2.424 7.431 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.407 -0.881 5.459 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.820 -0.328 5.529 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.763 -1.091 4.612 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.183 -1.101 5.157 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.420 -2.257 6.065 1.00 0.00 N ATOM 0 H LYS A 71 -8.879 1.338 6.404 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.202 -1.114 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.871 -0.384 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.452 -1.940 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.184 -0.385 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.814 0.726 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.756 -0.637 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.409 -2.115 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.372 -0.172 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.890 -1.139 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.399 -2.228 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.264 -3.144 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.763 -2.207 6.869 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.443 -1.072 5.748 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.151 -1.722 5.566 1.00 0.00 C ATOM 1125 C ALA A 72 -4.363 -1.751 6.871 1.00 0.00 C ATOM 1126 O ALA A 72 -4.057 -2.820 7.399 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.353 -1.014 4.481 1.00 0.00 C ATOM 0 H ALA A 72 -6.617 -0.294 5.112 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.330 -2.752 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.390 -1.510 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.905 -1.050 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.191 0.025 4.768 1.00 0.00 H new ATOM 1133 N TYR A 73 -4.037 -0.571 7.386 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.281 -0.461 8.628 1.00 0.00 C ATOM 1135 C TYR A 73 -3.711 -1.534 9.624 1.00 0.00 C ATOM 1136 O TYR A 73 -2.884 -2.105 10.335 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.470 0.926 9.244 1.00 0.00 C ATOM 1138 CG TYR A 73 -3.059 2.056 8.327 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -2.286 1.815 7.198 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.443 3.365 8.590 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.908 2.844 6.357 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.071 4.401 7.755 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.303 4.135 6.640 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.929 5.164 5.806 1.00 0.00 O ATOM 0 H TYR A 73 -4.284 0.323 6.963 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.226 -0.607 8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.517 1.053 9.517 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.891 0.987 10.165 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.975 0.805 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.043 3.577 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.307 2.639 5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.379 5.413 7.974 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.626 5.309 5.132 1.00 0.00 H new ATOM 1154 N ASP A 74 -5.011 -1.803 9.668 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.553 -2.809 10.575 1.00 0.00 C ATOM 1156 C ASP A 74 -5.092 -4.207 10.174 1.00 0.00 C ATOM 1157 O ASP A 74 -4.736 -5.022 11.024 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.081 -2.746 10.586 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.688 -3.591 11.689 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.847 -4.812 11.482 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.003 -3.030 12.760 1.00 0.00 O ATOM 0 H ASP A 74 -5.709 -1.339 9.087 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.181 -2.597 11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.398 -1.710 10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.462 -3.083 9.622 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.103 -4.478 8.872 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.685 -5.778 8.382 1.00 0.00 C ATOM 1168 C GLY A 75 -3.182 -5.962 8.436 1.00 0.00 C ATOM 1169 O GLY A 75 -2.685 -6.887 9.080 1.00 0.00 O ATOM 0 H GLY A 75 -5.394 -3.820 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.165 -6.557 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.026 -5.902 7.354 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.454 -5.082 7.757 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.998 -5.154 7.728 1.00 0.00 C ATOM 1175 C PHE A 76 -0.429 -5.214 9.142 1.00 0.00 C ATOM 1176 O PHE A 76 0.447 -6.028 9.436 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.421 -3.947 6.985 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.708 -3.957 5.511 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.361 -5.048 4.732 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.325 -2.874 4.904 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.624 -5.061 3.375 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.591 -2.882 3.548 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.239 -3.976 2.782 1.00 0.00 C ATOM 0 H PHE A 76 -2.849 -4.310 7.219 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.714 -6.065 7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.828 -3.034 7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.658 -3.919 7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.121 -5.899 5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.601 -2.015 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.349 -5.919 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.074 -2.033 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.444 -3.983 1.722 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.933 -4.347 10.014 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.476 -4.303 11.398 1.00 0.00 C ATOM 1195 C ALA A 77 -0.981 -5.509 12.182 1.00 0.00 C ATOM 1196 O ALA A 77 -0.706 -5.646 13.374 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.931 -3.011 12.062 1.00 0.00 C ATOM 0 H ALA A 77 -1.658 -3.666 9.787 1.00 0.00 H new ATOM 0 HA ALA A 77 0.614 -4.335 11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.583 -2.991 13.095 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.516 -2.159 11.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.020 -2.957 12.044 1.00 0.00 H new ATOM 1203 N SER A 78 -1.722 -6.381 11.505 1.00 0.00 N ATOM 1204 CA SER A 78 -2.269 -7.574 12.140 1.00 0.00 C ATOM 1205 C SER A 78 -1.256 -8.715 12.118 1.00 0.00 C ATOM 1206 O SER A 78 -1.215 -9.541 13.030 1.00 0.00 O ATOM 1207 CB SER A 78 -3.557 -8.007 11.437 1.00 0.00 C ATOM 1208 OG SER A 78 -4.393 -8.743 12.312 1.00 0.00 O ATOM 0 H SER A 78 -1.957 -6.283 10.517 1.00 0.00 H new ATOM 0 HA SER A 78 -2.494 -7.331 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.090 -7.128 11.074 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.313 -8.615 10.566 1.00 0.00 H new ATOM 0 HG SER A 78 -5.210 -9.007 11.839 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.441 -8.753 11.069 1.00 0.00 N ATOM 1215 CA ILE A 79 0.572 -9.791 10.927 1.00 0.00 C ATOM 1216 C ILE A 79 1.866 -9.396 11.631 1.00 0.00 C ATOM 1217 O ILE A 79 2.603 -10.249 12.123 1.00 0.00 O ATOM 1218 CB ILE A 79 0.876 -10.083 9.446 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.943 -8.778 8.649 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.178 -11.012 8.863 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.712 -8.901 7.353 1.00 0.00 C ATOM 0 H ILE A 79 -0.463 -8.077 10.305 1.00 0.00 H new ATOM 0 HA ILE A 79 0.168 -10.691 11.391 1.00 0.00 H new ATOM 0 HB ILE A 79 1.845 -10.577 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.071 -8.443 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.407 -8.008 9.266 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.050 -11.209 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.182 -11.951 9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.159 -10.542 8.938 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.719 -7.939 6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.737 -9.206 7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.236 -9.647 6.717 1.00 0.00 H new ATOM 1233 N GLY A 80 2.135 -8.094 11.677 1.00 0.00 N ATOM 1234 CA GLY A 80 3.339 -7.608 12.324 1.00 0.00 C ATOM 1235 C GLY A 80 3.973 -6.451 11.576 1.00 0.00 C ATOM 1236 O GLY A 80 5.196 -6.311 11.558 1.00 0.00 O ATOM 0 H GLY A 80 1.540 -7.368 11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.100 -7.293 13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.059 -8.423 12.404 1.00 0.00 H new ATOM 1240 N ILE A 81 3.140 -5.622 10.958 1.00 0.00 N ATOM 1241 CA ILE A 81 3.626 -4.472 10.205 1.00 0.00 C ATOM 1242 C ILE A 81 3.353 -3.171 10.951 1.00 0.00 C ATOM 1243 O ILE A 81 2.324 -2.528 10.743 1.00 0.00 O ATOM 1244 CB ILE A 81 2.977 -4.397 8.810 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.379 -5.611 7.971 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.374 -3.107 8.110 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.885 -5.548 6.542 1.00 0.00 C ATOM 0 H ILE A 81 2.125 -5.725 10.963 1.00 0.00 H new ATOM 0 HA ILE A 81 4.702 -4.603 10.089 1.00 0.00 H new ATOM 0 HB ILE A 81 1.893 -4.404 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.466 -5.697 7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.989 -6.513 8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.908 -3.069 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.042 -2.254 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.458 -3.072 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.207 -6.441 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.796 -5.493 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.296 -4.664 6.054 1.00 0.00 H new ATOM 1259 N SER A 82 4.283 -2.787 11.820 1.00 0.00 N ATOM 1260 CA SER A 82 4.142 -1.562 12.599 1.00 0.00 C ATOM 1261 C SER A 82 3.739 -0.393 11.706 1.00 0.00 C ATOM 1262 O SER A 82 4.547 0.117 10.929 1.00 0.00 O ATOM 1263 CB SER A 82 5.451 -1.239 13.322 1.00 0.00 C ATOM 1264 OG SER A 82 5.769 -2.240 14.273 1.00 0.00 O ATOM 0 H SER A 82 5.142 -3.306 12.002 1.00 0.00 H new ATOM 0 HA SER A 82 3.356 -1.719 13.338 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.259 -1.153 12.596 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.366 -0.273 13.820 1.00 0.00 H new ATOM 0 HG SER A 82 6.611 -2.011 14.720 1.00 0.00 H new ATOM 1270 N ARG A 83 2.483 0.026 11.821 1.00 0.00 N ATOM 1271 CA ARG A 83 1.971 1.134 11.024 1.00 0.00 C ATOM 1272 C ARG A 83 2.867 2.362 11.160 1.00 0.00 C ATOM 1273 O ARG A 83 3.528 2.551 12.182 1.00 0.00 O ATOM 1274 CB ARG A 83 0.544 1.482 11.452 1.00 0.00 C ATOM 1275 CG ARG A 83 0.472 2.270 12.749 1.00 0.00 C ATOM 1276 CD ARG A 83 0.304 1.352 13.950 1.00 0.00 C ATOM 1277 NE ARG A 83 0.815 1.957 15.177 1.00 0.00 N ATOM 1278 CZ ARG A 83 0.208 2.952 15.814 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -0.926 3.451 15.343 1.00 0.00 N ATOM 1280 NH2 ARG A 83 0.736 3.449 16.925 1.00 0.00 N ATOM 0 H ARG A 83 1.801 -0.385 12.459 1.00 0.00 H new ATOM 0 HA ARG A 83 1.965 0.824 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.067 2.058 10.660 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.027 0.561 11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.379 2.863 12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.363 2.970 12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.751 1.111 14.077 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.826 0.413 13.764 1.00 0.00 H new ATOM 0 HE ARG A 83 1.686 1.596 15.566 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.335 3.071 14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.390 4.215 15.834 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.608 3.067 17.290 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.270 4.213 17.414 1.00 0.00 H new ATOM 1294 N LEU A 84 2.885 3.192 10.124 1.00 0.00 N ATOM 1295 CA LEU A 84 3.700 4.402 10.127 1.00 0.00 C ATOM 1296 C LEU A 84 2.882 5.611 9.686 1.00 0.00 C ATOM 1297 O LEU A 84 2.887 6.652 10.345 1.00 0.00 O ATOM 1298 CB LEU A 84 4.910 4.228 9.207 1.00 0.00 C ATOM 1299 CG LEU A 84 5.749 2.970 9.433 1.00 0.00 C ATOM 1300 CD1 LEU A 84 6.778 2.808 8.324 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.432 3.021 10.792 1.00 0.00 C ATOM 0 H LEU A 84 2.345 3.050 9.271 1.00 0.00 H new ATOM 0 HA LEU A 84 4.047 4.574 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.559 4.226 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.557 5.098 9.322 1.00 0.00 H new ATOM 0 HG LEU A 84 5.085 2.106 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.366 1.907 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.268 2.725 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.438 3.675 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.025 2.118 10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.083 3.894 10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.678 3.088 11.576 1.00 0.00 H new ATOM 1313 N LEU A 85 2.179 5.467 8.568 1.00 0.00 N ATOM 1314 CA LEU A 85 1.352 6.547 8.039 1.00 0.00 C ATOM 1315 C LEU A 85 -0.005 6.584 8.734 1.00 0.00 C ATOM 1316 O LEU A 85 -0.458 5.581 9.284 1.00 0.00 O ATOM 1317 CB LEU A 85 1.162 6.379 6.531 1.00 0.00 C ATOM 1318 CG LEU A 85 0.773 7.640 5.758 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.767 8.759 6.028 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.688 7.347 4.267 1.00 0.00 C ATOM 0 H LEU A 85 2.165 4.613 8.010 1.00 0.00 H new ATOM 0 HA LEU A 85 1.863 7.490 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.089 5.990 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.394 5.623 6.364 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.210 7.964 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.474 9.648 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.778 8.987 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.762 8.445 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.410 8.256 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.656 6.998 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.064 6.578 4.090 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.649 7.747 8.701 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.956 7.913 9.326 1.00 0.00 C ATOM 1334 C GLU A 86 -3.056 8.002 8.273 1.00 0.00 C ATOM 1335 O GLU A 86 -2.880 8.585 7.203 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.971 9.167 10.203 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.917 9.158 11.297 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.309 10.005 12.492 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.014 9.486 13.382 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.910 11.188 12.536 1.00 0.00 O ATOM 0 H GLU A 86 -0.287 8.587 8.249 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.145 7.040 9.950 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.820 10.043 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.955 9.269 10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.747 8.132 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.026 9.524 10.891 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.219 7.409 8.580 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.371 7.408 7.674 1.00 0.00 C ATOM 1349 C PRO A 87 -6.000 8.789 7.533 1.00 0.00 C ATOM 1350 O PRO A 87 -6.342 9.217 6.430 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.350 6.441 8.345 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.987 6.477 9.790 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.500 6.696 9.838 1.00 0.00 C ATOM 0 HA PRO A 87 -5.091 7.119 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.383 6.751 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.254 5.435 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.516 7.278 10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.260 5.545 10.284 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.209 7.285 10.707 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.957 5.753 9.895 1.00 0.00 H new ATOM 1361 N SER A 88 -6.150 9.484 8.656 1.00 0.00 N ATOM 1362 CA SER A 88 -6.741 10.817 8.658 1.00 0.00 C ATOM 1363 C SER A 88 -5.820 11.820 7.972 1.00 0.00 C ATOM 1364 O SER A 88 -6.278 12.708 7.251 1.00 0.00 O ATOM 1365 CB SER A 88 -7.029 11.268 10.091 1.00 0.00 C ATOM 1366 OG SER A 88 -5.828 11.570 10.781 1.00 0.00 O ATOM 0 H SER A 88 -5.870 9.146 9.577 1.00 0.00 H new ATOM 0 HA SER A 88 -7.678 10.773 8.104 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.675 12.146 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.569 10.484 10.621 1.00 0.00 H new ATOM 0 HG SER A 88 -6.039 11.857 11.694 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.520 11.673 8.201 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.533 12.566 7.604 1.00 0.00 C ATOM 1374 C ASP A 89 -3.774 12.718 6.106 1.00 0.00 C ATOM 1375 O ASP A 89 -3.844 13.833 5.589 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.119 12.038 7.855 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.622 12.354 9.252 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.464 12.499 10.163 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.391 12.457 9.434 1.00 0.00 O ATOM 0 H ASP A 89 -4.125 10.944 8.795 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.635 13.545 8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.105 10.959 7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.437 12.472 7.123 1.00 0.00 H new ATOM 1384 N MET A 90 -3.898 11.591 5.413 1.00 0.00 N ATOM 1385 CA MET A 90 -4.131 11.600 3.974 1.00 0.00 C ATOM 1386 C MET A 90 -5.269 12.549 3.613 1.00 0.00 C ATOM 1387 O MET A 90 -5.394 12.977 2.466 1.00 0.00 O ATOM 1388 CB MET A 90 -4.452 10.188 3.479 1.00 0.00 C ATOM 1389 CG MET A 90 -3.376 9.168 3.812 1.00 0.00 C ATOM 1390 SD MET A 90 -1.917 9.330 2.764 1.00 0.00 S ATOM 1391 CE MET A 90 -1.788 7.670 2.104 1.00 0.00 C ATOM 0 H MET A 90 -3.841 10.660 5.825 1.00 0.00 H new ATOM 0 HA MET A 90 -3.221 11.950 3.486 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.396 9.864 3.917 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.594 10.214 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 90 -3.083 9.282 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.787 8.164 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.899 7.596 1.477 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.714 6.957 2.925 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.672 7.446 1.508 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.097 12.875 4.601 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.225 13.774 4.387 1.00 0.00 C ATOM 1403 C VAL A 91 -6.898 15.187 4.860 1.00 0.00 C ATOM 1404 O VAL A 91 -7.232 16.168 4.195 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.485 13.278 5.120 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.689 14.131 4.750 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.742 11.812 4.804 1.00 0.00 C ATOM 0 H VAL A 91 -6.008 12.530 5.557 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.420 13.788 3.315 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.320 13.371 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.570 13.765 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.501 15.167 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.860 14.073 3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.636 11.478 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.886 11.691 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.888 11.216 5.125 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.244 15.282 6.012 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.871 16.575 6.575 1.00 0.00 C ATOM 1419 C LEU A 92 -5.144 17.430 5.542 1.00 0.00 C ATOM 1420 O LEU A 92 -5.268 18.655 5.536 1.00 0.00 O ATOM 1421 CB LEU A 92 -4.984 16.381 7.807 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.531 15.446 8.886 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.498 15.235 9.983 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.823 16.001 9.468 1.00 0.00 C ATOM 0 H LEU A 92 -5.961 14.480 6.575 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.785 17.092 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.018 15.998 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.803 17.357 8.257 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.747 14.481 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.905 14.567 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.598 14.793 9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.250 16.194 10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.198 15.322 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.632 16.979 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.566 16.100 8.676 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.388 16.776 4.667 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.643 17.476 3.626 1.00 0.00 C ATOM 1438 C LEU A 93 -4.065 16.998 2.240 1.00 0.00 C ATOM 1439 O LEU A 93 -4.907 16.110 2.108 1.00 0.00 O ATOM 1440 CB LEU A 93 -2.141 17.262 3.816 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.698 15.828 4.104 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.460 15.071 2.807 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.443 15.820 4.966 1.00 0.00 C ATOM 0 H LEU A 93 -4.275 15.762 4.658 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.865 18.540 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.629 17.605 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.805 17.896 4.636 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.495 15.326 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.145 14.052 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.382 15.046 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.682 15.572 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.142 14.791 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.360 16.340 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.647 16.323 5.911 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.473 17.592 1.209 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.784 17.225 -0.167 1.00 0.00 C ATOM 1457 C ALA A 94 -2.860 16.117 -0.661 1.00 0.00 C ATOM 1458 O ALA A 94 -3.302 14.998 -0.924 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.684 18.442 -1.074 1.00 0.00 C ATOM 0 H ALA A 94 -2.775 18.330 1.301 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.807 16.849 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.919 18.153 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.390 19.203 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.672 18.844 -1.034 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.576 16.436 -0.787 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.591 15.467 -1.250 1.00 0.00 C ATOM 1467 C ILE A 95 0.313 15.014 -0.109 1.00 0.00 C ATOM 1468 O ILE A 95 0.891 15.823 0.617 1.00 0.00 O ATOM 1469 CB ILE A 95 0.280 16.046 -2.381 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.598 16.723 -3.435 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.126 14.951 -3.012 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.123 15.770 -4.486 1.00 0.00 C ATOM 0 H ILE A 95 -1.194 17.358 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.147 14.611 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 95 0.949 16.795 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.441 17.205 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.024 17.510 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.736 15.376 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.775 14.510 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.475 14.180 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.737 16.318 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.286 15.307 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.725 14.997 -4.008 1.00 0.00 H new ATOM 1484 N PRO A 96 0.441 13.689 0.054 1.00 0.00 N ATOM 1485 CA PRO A 96 1.275 13.097 1.105 1.00 0.00 C ATOM 1486 C PRO A 96 2.764 13.308 0.850 1.00 0.00 C ATOM 1487 O PRO A 96 3.149 14.051 -0.053 1.00 0.00 O ATOM 1488 CB PRO A 96 0.927 11.608 1.038 1.00 0.00 C ATOM 1489 CG PRO A 96 0.462 11.390 -0.361 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.219 12.666 -0.774 1.00 0.00 C ATOM 0 HA PRO A 96 1.086 13.549 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.794 10.988 1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.150 11.350 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.300 11.164 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.225 10.545 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.089 12.865 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.292 12.628 -0.586 1.00 0.00 H new ATOM 1498 N ASP A 97 3.595 12.651 1.651 1.00 0.00 N ATOM 1499 CA ASP A 97 5.042 12.765 1.511 1.00 0.00 C ATOM 1500 C ASP A 97 5.627 11.511 0.869 1.00 0.00 C ATOM 1501 O ASP A 97 5.858 10.506 1.542 1.00 0.00 O ATOM 1502 CB ASP A 97 5.690 13.005 2.875 1.00 0.00 C ATOM 1503 CG ASP A 97 5.769 14.477 3.228 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.694 15.157 2.735 1.00 0.00 O ATOM 1505 OD2 ASP A 97 4.906 14.950 3.995 1.00 0.00 O ATOM 0 H ASP A 97 3.292 12.034 2.404 1.00 0.00 H new ATOM 0 HA ASP A 97 5.254 13.615 0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.120 12.481 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.694 12.580 2.877 1.00 0.00 H new ATOM 1510 N LYS A 98 5.863 11.575 -0.437 1.00 0.00 N ATOM 1511 CA LYS A 98 6.421 10.446 -1.171 1.00 0.00 C ATOM 1512 C LYS A 98 7.474 9.722 -0.338 1.00 0.00 C ATOM 1513 O LYS A 98 7.549 8.493 -0.346 1.00 0.00 O ATOM 1514 CB LYS A 98 7.036 10.921 -2.489 1.00 0.00 C ATOM 1515 CG LYS A 98 7.997 9.921 -3.107 1.00 0.00 C ATOM 1516 CD LYS A 98 9.415 10.122 -2.599 1.00 0.00 C ATOM 1517 CE LYS A 98 10.444 9.698 -3.636 1.00 0.00 C ATOM 1518 NZ LYS A 98 11.805 10.204 -3.305 1.00 0.00 N ATOM 0 H LYS A 98 5.676 12.398 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 98 5.611 9.749 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.236 11.130 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.563 11.860 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.667 8.908 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.981 10.022 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.566 11.171 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.560 9.547 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.467 8.610 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.146 10.070 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.478 9.894 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.789 11.243 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.100 9.829 -2.381 1.00 0.00 H new ATOM 1532 N LEU A 99 8.283 10.491 0.382 1.00 0.00 N ATOM 1533 CA LEU A 99 9.332 9.923 1.222 1.00 0.00 C ATOM 1534 C LEU A 99 8.735 9.046 2.319 1.00 0.00 C ATOM 1535 O LEU A 99 9.102 7.880 2.465 1.00 0.00 O ATOM 1536 CB LEU A 99 10.173 11.038 1.846 1.00 0.00 C ATOM 1537 CG LEU A 99 10.791 12.039 0.869 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.179 13.320 1.592 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.001 11.429 0.176 1.00 0.00 C ATOM 0 H LEU A 99 8.233 11.510 0.401 1.00 0.00 H new ATOM 0 HA LEU A 99 9.971 9.303 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.548 11.587 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.977 10.580 2.423 1.00 0.00 H new ATOM 0 HG LEU A 99 10.048 12.285 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.617 14.021 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.292 13.767 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.906 13.092 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.428 12.155 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.747 11.155 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.695 10.540 -0.375 1.00 0.00 H new ATOM 1551 N THR A 100 7.811 9.615 3.087 1.00 0.00 N ATOM 1552 CA THR A 100 7.163 8.886 4.170 1.00 0.00 C ATOM 1553 C THR A 100 6.473 7.630 3.650 1.00 0.00 C ATOM 1554 O THR A 100 6.887 6.511 3.954 1.00 0.00 O ATOM 1555 CB THR A 100 6.126 9.764 4.896 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.791 10.699 5.753 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.171 8.908 5.715 1.00 0.00 C ATOM 0 H THR A 100 7.495 10.579 2.979 1.00 0.00 H new ATOM 0 HA THR A 100 7.946 8.603 4.874 1.00 0.00 H new ATOM 0 HB THR A 100 5.551 10.305 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.125 11.255 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.448 9.550 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.646 8.217 5.056 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.734 8.344 6.458 1.00 0.00 H new ATOM 1565 N VAL A 101 5.418 7.821 2.864 1.00 0.00 N ATOM 1566 CA VAL A 101 4.672 6.703 2.300 1.00 0.00 C ATOM 1567 C VAL A 101 5.608 5.584 1.857 1.00 0.00 C ATOM 1568 O VAL A 101 5.528 4.461 2.354 1.00 0.00 O ATOM 1569 CB VAL A 101 3.817 7.147 1.098 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.221 5.940 0.391 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.724 8.105 1.548 1.00 0.00 C ATOM 0 H VAL A 101 5.061 8.740 2.603 1.00 0.00 H new ATOM 0 HA VAL A 101 4.015 6.333 3.087 1.00 0.00 H new ATOM 0 HB VAL A 101 4.460 7.671 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.620 6.274 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.023 5.294 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.591 5.385 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.129 8.409 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.082 7.608 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.177 8.985 2.005 1.00 0.00 H new ATOM 1581 N MET A 102 6.497 5.900 0.921 1.00 0.00 N ATOM 1582 CA MET A 102 7.451 4.921 0.412 1.00 0.00 C ATOM 1583 C MET A 102 8.041 4.094 1.551 1.00 0.00 C ATOM 1584 O MET A 102 8.021 2.864 1.514 1.00 0.00 O ATOM 1585 CB MET A 102 8.571 5.622 -0.358 1.00 0.00 C ATOM 1586 CG MET A 102 8.262 5.822 -1.833 1.00 0.00 C ATOM 1587 SD MET A 102 9.749 5.980 -2.840 1.00 0.00 S ATOM 1588 CE MET A 102 9.583 4.556 -3.914 1.00 0.00 C ATOM 0 H MET A 102 6.577 6.826 0.500 1.00 0.00 H new ATOM 0 HA MET A 102 6.920 4.250 -0.264 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.763 6.593 0.099 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.487 5.038 -0.263 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.672 4.980 -2.194 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.650 6.716 -1.954 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.548 4.327 -4.366 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.242 3.700 -3.333 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.858 4.774 -4.698 1.00 0.00 H new ATOM 1598 N THR A 103 8.566 4.778 2.562 1.00 0.00 N ATOM 1599 CA THR A 103 9.163 4.108 3.710 1.00 0.00 C ATOM 1600 C THR A 103 8.254 3.002 4.235 1.00 0.00 C ATOM 1601 O THR A 103 8.710 1.898 4.530 1.00 0.00 O ATOM 1602 CB THR A 103 9.457 5.100 4.851 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.227 6.202 4.356 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.209 4.417 5.983 1.00 0.00 C ATOM 0 H THR A 103 8.590 5.797 2.609 1.00 0.00 H new ATOM 0 HA THR A 103 10.102 3.672 3.368 1.00 0.00 H new ATOM 0 HB THR A 103 8.506 5.466 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.646 6.805 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.405 5.138 6.777 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.608 3.598 6.377 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.154 4.025 5.607 1.00 0.00 H new ATOM 1612 N TYR A 104 6.966 3.307 4.349 1.00 0.00 N ATOM 1613 CA TYR A 104 5.992 2.339 4.840 1.00 0.00 C ATOM 1614 C TYR A 104 5.819 1.190 3.851 1.00 0.00 C ATOM 1615 O TYR A 104 5.842 0.019 4.232 1.00 0.00 O ATOM 1616 CB TYR A 104 4.645 3.020 5.088 1.00 0.00 C ATOM 1617 CG TYR A 104 3.641 2.137 5.793 1.00 0.00 C ATOM 1618 CD1 TYR A 104 4.020 1.337 6.864 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.312 2.102 5.388 1.00 0.00 C ATOM 1620 CE1 TYR A 104 3.106 0.528 7.510 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.390 1.297 6.029 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.792 0.512 7.090 1.00 0.00 C ATOM 1623 OH TYR A 104 0.878 -0.292 7.731 1.00 0.00 O ATOM 0 H TYR A 104 6.572 4.217 4.108 1.00 0.00 H new ATOM 0 HA TYR A 104 6.365 1.932 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.806 3.919 5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.228 3.340 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.047 1.348 7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.994 2.715 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.418 -0.089 8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.361 1.282 5.702 1.00 0.00 H new ATOM 0 HH TYR A 104 -0.002 -0.185 7.313 1.00 0.00 H new ATOM 1633 N LEU A 105 5.648 1.534 2.580 1.00 0.00 N ATOM 1634 CA LEU A 105 5.472 0.533 1.533 1.00 0.00 C ATOM 1635 C LEU A 105 6.576 -0.518 1.594 1.00 0.00 C ATOM 1636 O LEU A 105 6.317 -1.690 1.866 1.00 0.00 O ATOM 1637 CB LEU A 105 5.462 1.201 0.157 1.00 0.00 C ATOM 1638 CG LEU A 105 4.127 1.796 -0.290 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.317 2.668 -1.522 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.116 0.693 -0.566 1.00 0.00 C ATOM 0 H LEU A 105 5.627 2.499 2.249 1.00 0.00 H new ATOM 0 HA LEU A 105 4.515 0.037 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.209 1.994 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.776 0.466 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 105 3.742 2.420 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.356 3.083 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.006 3.480 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.725 2.066 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.172 1.136 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.494 0.042 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.957 0.110 0.341 1.00 0.00 H new ATOM 1652 N TYR A 106 7.807 -0.089 1.340 1.00 0.00 N ATOM 1653 CA TYR A 106 8.952 -0.993 1.365 1.00 0.00 C ATOM 1654 C TYR A 106 8.772 -2.070 2.431 1.00 0.00 C ATOM 1655 O TYR A 106 9.102 -3.235 2.212 1.00 0.00 O ATOM 1656 CB TYR A 106 10.240 -0.211 1.627 1.00 0.00 C ATOM 1657 CG TYR A 106 10.656 0.674 0.473 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.906 0.138 -0.784 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.798 2.046 0.641 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.287 0.943 -1.840 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.177 2.858 -0.410 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.421 2.302 -1.649 1.00 0.00 C ATOM 1663 OH TYR A 106 11.799 3.107 -2.699 1.00 0.00 O ATOM 0 H TYR A 106 8.038 0.879 1.114 1.00 0.00 H new ATOM 0 HA TYR A 106 9.021 -1.478 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 106 10.107 0.405 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.044 -0.914 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.801 -0.926 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.609 2.485 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.479 0.510 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.282 3.923 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 106 11.846 4.038 -2.397 1.00 0.00 H new ATOM 1673 N GLN A 107 8.245 -1.670 3.584 1.00 0.00 N ATOM 1674 CA GLN A 107 8.021 -2.600 4.684 1.00 0.00 C ATOM 1675 C GLN A 107 7.071 -3.718 4.267 1.00 0.00 C ATOM 1676 O GLN A 107 7.411 -4.899 4.353 1.00 0.00 O ATOM 1677 CB GLN A 107 7.456 -1.861 5.898 1.00 0.00 C ATOM 1678 CG GLN A 107 8.262 -0.634 6.293 1.00 0.00 C ATOM 1679 CD GLN A 107 9.390 -0.961 7.251 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.578 -2.115 7.636 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.149 0.057 7.641 1.00 0.00 N ATOM 0 H GLN A 107 7.965 -0.709 3.780 1.00 0.00 H new ATOM 0 HA GLN A 107 8.980 -3.044 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.431 -1.559 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.416 -2.547 6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.674 -0.171 5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.599 0.098 6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.957 0.998 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.924 -0.102 8.285 1.00 0.00 H new ATOM 1690 N ILE A 108 5.881 -3.338 3.816 1.00 0.00 N ATOM 1691 CA ILE A 108 4.882 -4.309 3.385 1.00 0.00 C ATOM 1692 C ILE A 108 5.455 -5.260 2.339 1.00 0.00 C ATOM 1693 O ILE A 108 5.344 -6.479 2.466 1.00 0.00 O ATOM 1694 CB ILE A 108 3.636 -3.615 2.803 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.909 -2.827 3.895 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.705 -4.640 2.172 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.530 -1.478 4.182 1.00 0.00 C ATOM 0 H ILE A 108 5.584 -2.365 3.739 1.00 0.00 H new ATOM 0 HA ILE A 108 4.592 -4.877 4.269 1.00 0.00 H new ATOM 0 HB ILE A 108 3.954 -2.918 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.870 -2.684 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.900 -3.416 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.829 -4.134 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.228 -5.162 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.390 -5.359 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.963 -0.976 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.560 -1.614 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.515 -0.870 3.277 1.00 0.00 H new ATOM 1709 N ARG A 109 6.071 -4.693 1.306 1.00 0.00 N ATOM 1710 CA ARG A 109 6.662 -5.490 0.238 1.00 0.00 C ATOM 1711 C ARG A 109 7.742 -6.419 0.787 1.00 0.00 C ATOM 1712 O ARG A 109 7.864 -7.566 0.359 1.00 0.00 O ATOM 1713 CB ARG A 109 7.257 -4.579 -0.837 1.00 0.00 C ATOM 1714 CG ARG A 109 8.093 -5.320 -1.868 1.00 0.00 C ATOM 1715 CD ARG A 109 9.175 -4.426 -2.454 1.00 0.00 C ATOM 1716 NE ARG A 109 10.391 -4.438 -1.645 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.461 -3.699 -1.915 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.465 -2.893 -2.968 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.530 -3.765 -1.132 1.00 0.00 N ATOM 0 H ARG A 109 6.173 -3.685 1.187 1.00 0.00 H new ATOM 0 HA ARG A 109 5.874 -6.099 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.448 -4.055 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.876 -3.821 -0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.552 -6.194 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.448 -5.684 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.409 -4.756 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.800 -3.405 -2.530 1.00 0.00 H new ATOM 0 HE ARG A 109 10.420 -5.048 -0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.645 -2.840 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.288 -2.326 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.531 -4.384 -0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.351 -3.197 -1.341 1.00 0.00 H new ATOM 1733 N ALA A 110 8.522 -5.914 1.738 1.00 0.00 N ATOM 1734 CA ALA A 110 9.589 -6.699 2.346 1.00 0.00 C ATOM 1735 C ALA A 110 9.024 -7.864 3.150 1.00 0.00 C ATOM 1736 O ALA A 110 9.494 -8.997 3.034 1.00 0.00 O ATOM 1737 CB ALA A 110 10.455 -5.814 3.232 1.00 0.00 C ATOM 0 H ALA A 110 8.435 -4.966 2.103 1.00 0.00 H new ATOM 0 HA ALA A 110 10.206 -7.110 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.248 -6.413 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.896 -5.018 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.842 -5.376 4.020 1.00 0.00 H new ATOM 1743 N HIS A 111 8.013 -7.580 3.965 1.00 0.00 N ATOM 1744 CA HIS A 111 7.384 -8.606 4.789 1.00 0.00 C ATOM 1745 C HIS A 111 7.061 -9.846 3.960 1.00 0.00 C ATOM 1746 O HIS A 111 7.407 -10.966 4.339 1.00 0.00 O ATOM 1747 CB HIS A 111 6.108 -8.062 5.432 1.00 0.00 C ATOM 1748 CG HIS A 111 5.463 -9.019 6.387 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.664 -8.972 7.750 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.616 -10.052 6.169 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.970 -9.935 8.329 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.325 -10.605 7.392 1.00 0.00 N ATOM 0 H HIS A 111 7.612 -6.648 4.072 1.00 0.00 H new ATOM 0 HA HIS A 111 8.086 -8.888 5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.343 -7.138 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.395 -7.809 4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.239 -10.380 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.936 -10.140 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.710 -11.404 7.551 1.00 0.00 H new ATOM 1761 N PHE A 112 6.397 -9.639 2.828 1.00 0.00 N ATOM 1762 CA PHE A 112 6.026 -10.740 1.947 1.00 0.00 C ATOM 1763 C PHE A 112 7.207 -11.163 1.078 1.00 0.00 C ATOM 1764 O PHE A 112 7.670 -12.301 1.151 1.00 0.00 O ATOM 1765 CB PHE A 112 4.846 -10.337 1.061 1.00 0.00 C ATOM 1766 CG PHE A 112 3.572 -10.112 1.826 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.957 -11.157 2.496 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.991 -8.855 1.874 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.785 -10.953 3.200 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.820 -8.645 2.577 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.215 -9.696 3.240 1.00 0.00 C ATOM 0 H PHE A 112 6.105 -8.719 2.499 1.00 0.00 H new ATOM 0 HA PHE A 112 5.733 -11.586 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.102 -9.426 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.680 -11.114 0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.398 -12.142 2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.458 -8.030 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.316 -11.776 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.378 -7.660 2.608 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.299 -9.534 3.788 1.00 0.00 H new