USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=27 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 157:sc= -0.532 (180deg=-1.06) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -2.04! X(o=-3.3!,f=-3.3) USER MOD Set 2.2: A 73 TYR OH : rot 86:sc= 1.29 USER MOD Set 2.3: A 90 MET CE :methyl -155:sc= -2.57 (180deg=-3.7!) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 ASN : amide:sc= -3.56 X(o=-3.6,f=-3.7!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 64:sc= 0.639 USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 22 THR OG1 : rot -63:sc= -0.301 USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= -0.532 (180deg=-2.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -89:sc= -0.39 USER MOD Single : A 39 ASN : amide:sc= 0.527 K(o=0.53,f=-8.7!) USER MOD Single : A 42 SER OG : rot 140:sc= -0.161 USER MOD Single : A 44 CYS SG : rot 89:sc= -0.992 USER MOD Single : A 48 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-3.1!) USER MOD Single : A 49 HIS : no HD1:sc= -3.24! X(o=-3.2!,f=-3.3) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0991 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.074 (180deg=-0.375) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.98! C(o=-3.6!,f=-3!) USER MOD Single : A 63 GLN : amide:sc= -11.5! C(o=-12!,f=-16!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -0.132 (180deg=-0.542) 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= -0.0175 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 83:sc= 1.28 USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 111 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.798 1.410 -9.049 1.00 0.00 N ATOM 116 CA GLN A 12 10.926 0.700 -9.978 1.00 0.00 C ATOM 117 C GLN A 12 10.492 -0.642 -9.400 1.00 0.00 C ATOM 118 O GLN A 12 9.309 -0.984 -9.417 1.00 0.00 O ATOM 119 CB GLN A 12 11.636 0.487 -11.316 1.00 0.00 C ATOM 120 CG GLN A 12 10.854 -0.381 -12.288 1.00 0.00 C ATOM 121 CD GLN A 12 11.713 -0.909 -13.420 1.00 0.00 C ATOM 122 OE1 GLN A 12 12.582 -0.205 -13.936 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.475 -2.154 -13.814 1.00 0.00 N ATOM 0 HA GLN A 12 10.037 1.310 -10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.823 1.457 -11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.608 0.028 -11.133 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.415 -1.220 -11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.029 0.198 -12.703 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.745 -2.702 -13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.022 -2.562 -14.572 1.00 0.00 H new ATOM 132 N SER A 13 11.456 -1.400 -8.887 1.00 0.00 N ATOM 133 CA SER A 13 11.174 -2.708 -8.307 1.00 0.00 C ATOM 134 C SER A 13 9.887 -2.673 -7.488 1.00 0.00 C ATOM 135 O SER A 13 8.933 -3.396 -7.778 1.00 0.00 O ATOM 136 CB SER A 13 12.340 -3.161 -7.427 1.00 0.00 C ATOM 137 OG SER A 13 13.295 -3.889 -8.180 1.00 0.00 O ATOM 0 H SER A 13 12.439 -1.131 -8.861 1.00 0.00 H new ATOM 0 HA SER A 13 11.046 -3.420 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.816 -2.292 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.965 -3.781 -6.612 1.00 0.00 H new ATOM 0 HG SER A 13 14.031 -4.166 -7.595 1.00 0.00 H new ATOM 143 N LEU A 14 9.869 -1.827 -6.464 1.00 0.00 N ATOM 144 CA LEU A 14 8.700 -1.696 -5.601 1.00 0.00 C ATOM 145 C LEU A 14 7.459 -1.345 -6.416 1.00 0.00 C ATOM 146 O LEU A 14 6.402 -1.958 -6.253 1.00 0.00 O ATOM 147 CB LEU A 14 8.944 -0.626 -4.536 1.00 0.00 C ATOM 148 CG LEU A 14 7.705 -0.117 -3.799 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.229 -1.144 -2.784 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.998 1.212 -3.118 1.00 0.00 C ATOM 0 H LEU A 14 10.650 -1.222 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 14 8.532 -2.655 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.641 -1.027 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.435 0.224 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 14 6.910 0.039 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.346 -0.765 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.979 -2.073 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.020 -1.332 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.105 1.559 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.808 1.082 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.291 1.948 -3.867 1.00 0.00 H new ATOM 162 N LEU A 15 7.593 -0.357 -7.293 1.00 0.00 N ATOM 163 CA LEU A 15 6.483 0.074 -8.136 1.00 0.00 C ATOM 164 C LEU A 15 5.851 -1.114 -8.854 1.00 0.00 C ATOM 165 O LEU A 15 4.631 -1.183 -9.006 1.00 0.00 O ATOM 166 CB LEU A 15 6.964 1.105 -9.158 1.00 0.00 C ATOM 167 CG LEU A 15 5.882 1.735 -10.037 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.098 2.776 -9.254 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.500 2.354 -11.282 1.00 0.00 C ATOM 0 H LEU A 15 8.459 0.161 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 15 5.729 0.531 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.480 1.903 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.699 0.628 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 15 5.192 0.951 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.333 3.213 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.624 2.303 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.775 3.559 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.716 2.797 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.212 3.126 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.016 1.583 -11.854 1.00 0.00 H new ATOM 181 N VAL A 16 6.688 -2.048 -9.292 1.00 0.00 N ATOM 182 CA VAL A 16 6.211 -3.236 -9.990 1.00 0.00 C ATOM 183 C VAL A 16 5.581 -4.229 -9.020 1.00 0.00 C ATOM 184 O VAL A 16 4.467 -4.704 -9.239 1.00 0.00 O ATOM 185 CB VAL A 16 7.352 -3.934 -10.754 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.813 -5.099 -11.571 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.084 -2.941 -11.644 1.00 0.00 C ATOM 0 H VAL A 16 7.700 -2.005 -9.176 1.00 0.00 H new ATOM 0 HA VAL A 16 5.457 -2.902 -10.703 1.00 0.00 H new ATOM 0 HB VAL A 16 8.063 -4.328 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.633 -5.580 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.339 -5.821 -10.906 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.080 -4.731 -12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.887 -3.452 -12.176 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.386 -2.514 -12.364 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.505 -2.144 -11.031 1.00 0.00 H new ATOM 197 N TRP A 17 6.301 -4.536 -7.947 1.00 0.00 N ATOM 198 CA TRP A 17 5.812 -5.473 -6.942 1.00 0.00 C ATOM 199 C TRP A 17 4.319 -5.280 -6.698 1.00 0.00 C ATOM 200 O TRP A 17 3.555 -6.245 -6.674 1.00 0.00 O ATOM 201 CB TRP A 17 6.582 -5.295 -5.632 1.00 0.00 C ATOM 202 CG TRP A 17 6.193 -6.285 -4.576 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.765 -7.503 -4.344 1.00 0.00 C ATOM 204 CD2 TRP A 17 5.146 -6.141 -3.610 1.00 0.00 C ATOM 205 NE1 TRP A 17 6.137 -8.125 -3.292 1.00 0.00 N ATOM 206 CE2 TRP A 17 5.141 -7.310 -2.824 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.215 -5.137 -3.331 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.239 -7.500 -1.780 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.320 -5.328 -2.295 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.338 -6.502 -1.530 1.00 0.00 C ATOM 0 H TRP A 17 7.225 -4.150 -7.751 1.00 0.00 H new ATOM 0 HA TRP A 17 5.972 -6.484 -7.316 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.650 -5.387 -5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.414 -4.286 -5.254 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.590 -7.917 -4.905 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.374 -9.045 -2.920 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.195 -4.228 -3.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.251 -8.404 -1.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.595 -4.560 -2.071 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.626 -6.621 -0.727 1.00 0.00 H new ATOM 221 N CYS A 18 3.910 -4.029 -6.518 1.00 0.00 N ATOM 222 CA CYS A 18 2.508 -3.710 -6.276 1.00 0.00 C ATOM 223 C CYS A 18 1.653 -4.062 -7.488 1.00 0.00 C ATOM 224 O CYS A 18 0.876 -5.017 -7.458 1.00 0.00 O ATOM 225 CB CYS A 18 2.351 -2.226 -5.940 1.00 0.00 C ATOM 226 SG CYS A 18 3.541 -1.614 -4.724 1.00 0.00 S ATOM 0 H CYS A 18 4.530 -3.219 -6.535 1.00 0.00 H new ATOM 0 HA CYS A 18 2.167 -4.305 -5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.453 -1.644 -6.856 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.343 -2.054 -5.564 1.00 0.00 H new ATOM 0 HG CYS A 18 4.743 -1.698 -5.213 1.00 0.00 H new ATOM 232 N LYS A 19 1.799 -3.284 -8.556 1.00 0.00 N ATOM 233 CA LYS A 19 1.041 -3.513 -9.780 1.00 0.00 C ATOM 234 C LYS A 19 0.906 -5.005 -10.066 1.00 0.00 C ATOM 235 O LYS A 19 -0.090 -5.449 -10.635 1.00 0.00 O ATOM 236 CB LYS A 19 1.718 -2.815 -10.962 1.00 0.00 C ATOM 237 CG LYS A 19 1.733 -1.301 -10.846 1.00 0.00 C ATOM 238 CD LYS A 19 2.801 -0.685 -11.735 1.00 0.00 C ATOM 239 CE LYS A 19 2.375 0.680 -12.254 1.00 0.00 C ATOM 240 NZ LYS A 19 3.401 1.277 -13.152 1.00 0.00 N ATOM 0 H LYS A 19 2.436 -2.489 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 19 0.043 -3.096 -9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.743 -3.175 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.205 -3.096 -11.882 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.756 -0.904 -11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.912 -1.016 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.731 -0.588 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.003 -1.348 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.432 0.586 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.196 1.349 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.104 2.234 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.312 1.328 -12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.505 0.686 -14.002 1.00 0.00 H new ATOM 254 N GLU A 20 1.915 -5.773 -9.666 1.00 0.00 N ATOM 255 CA GLU A 20 1.907 -7.216 -9.880 1.00 0.00 C ATOM 256 C GLU A 20 0.785 -7.877 -9.085 1.00 0.00 C ATOM 257 O GLU A 20 -0.046 -8.594 -9.642 1.00 0.00 O ATOM 258 CB GLU A 20 3.255 -7.820 -9.481 1.00 0.00 C ATOM 259 CG GLU A 20 3.623 -9.064 -10.272 1.00 0.00 C ATOM 260 CD GLU A 20 4.697 -9.891 -9.593 1.00 0.00 C ATOM 261 OE1 GLU A 20 4.351 -10.699 -8.705 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.884 -9.730 -9.948 1.00 0.00 O ATOM 0 H GLU A 20 2.747 -5.421 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 20 1.734 -7.400 -10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.034 -7.070 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.233 -8.068 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.733 -9.677 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.968 -8.771 -11.263 1.00 0.00 H new ATOM 269 N VAL A 21 0.769 -7.632 -7.779 1.00 0.00 N ATOM 270 CA VAL A 21 -0.250 -8.203 -6.906 1.00 0.00 C ATOM 271 C VAL A 21 -1.628 -7.635 -7.226 1.00 0.00 C ATOM 272 O VAL A 21 -2.651 -8.249 -6.922 1.00 0.00 O ATOM 273 CB VAL A 21 0.070 -7.940 -5.423 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.557 -8.122 -5.157 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.386 -6.547 -5.018 1.00 0.00 C ATOM 0 H VAL A 21 1.450 -7.042 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.253 -9.278 -7.084 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.474 -8.665 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.764 -7.932 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.849 -9.142 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.125 -7.422 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.152 -6.379 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.128 -5.804 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.462 -6.458 -5.169 1.00 0.00 H new ATOM 285 N THR A 22 -1.648 -6.457 -7.842 1.00 0.00 N ATOM 286 CA THR A 22 -2.900 -5.805 -8.203 1.00 0.00 C ATOM 287 C THR A 22 -3.071 -5.742 -9.716 1.00 0.00 C ATOM 288 O THR A 22 -3.794 -4.890 -10.235 1.00 0.00 O ATOM 289 CB THR A 22 -2.976 -4.377 -7.629 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.853 -3.609 -8.076 1.00 0.00 O ATOM 291 CG2 THR A 22 -3.003 -4.406 -6.108 1.00 0.00 C ATOM 0 H THR A 22 -0.811 -5.935 -8.101 1.00 0.00 H new ATOM 0 HA THR A 22 -3.703 -6.404 -7.774 1.00 0.00 H new ATOM 0 HB THR A 22 -3.897 -3.915 -7.985 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.026 -4.011 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.057 -3.387 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.875 -4.967 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.097 -4.885 -5.737 1.00 0.00 H new ATOM 387 N VAL A 28 -6.874 -0.014 -10.231 1.00 0.00 N ATOM 388 CA VAL A 28 -5.547 -0.001 -9.626 1.00 0.00 C ATOM 389 C VAL A 28 -4.492 0.456 -10.626 1.00 0.00 C ATOM 390 O VAL A 28 -4.084 -0.303 -11.506 1.00 0.00 O ATOM 391 CB VAL A 28 -5.162 -1.392 -9.089 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.898 -1.308 -8.246 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.308 -1.990 -8.288 1.00 0.00 C ATOM 0 HA VAL A 28 -5.584 0.703 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.962 -2.047 -9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.641 -2.300 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.079 -0.925 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.067 -0.638 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.018 -2.973 -7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.542 -1.338 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.186 -2.088 -8.927 1.00 0.00 H new ATOM 403 N LYS A 29 -4.052 1.702 -10.486 1.00 0.00 N ATOM 404 CA LYS A 29 -3.042 2.262 -11.376 1.00 0.00 C ATOM 405 C LYS A 29 -1.978 3.017 -10.585 1.00 0.00 C ATOM 406 O LYS A 29 -1.929 4.247 -10.610 1.00 0.00 O ATOM 407 CB LYS A 29 -3.693 3.198 -12.397 1.00 0.00 C ATOM 408 CG LYS A 29 -4.578 4.261 -11.769 1.00 0.00 C ATOM 409 CD LYS A 29 -4.968 5.329 -12.777 1.00 0.00 C ATOM 410 CE LYS A 29 -3.858 6.352 -12.962 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.904 5.949 -14.032 1.00 0.00 N ATOM 0 H LYS A 29 -4.379 2.344 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.562 1.438 -11.903 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.912 3.686 -12.980 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.288 2.606 -13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.477 3.795 -11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.055 4.723 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.196 4.861 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.876 5.832 -12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.294 7.320 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.319 6.476 -12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.609 6.790 -14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.069 5.502 -13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.367 5.274 -14.674 1.00 0.00 H new ATOM 425 N ILE A 30 -1.128 2.272 -9.886 1.00 0.00 N ATOM 426 CA ILE A 30 -0.064 2.872 -9.090 1.00 0.00 C ATOM 427 C ILE A 30 0.879 3.692 -9.963 1.00 0.00 C ATOM 428 O ILE A 30 1.987 3.257 -10.281 1.00 0.00 O ATOM 429 CB ILE A 30 0.750 1.801 -8.340 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.179 0.912 -7.510 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.797 2.457 -7.452 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.680 -0.303 -8.259 1.00 0.00 C ATOM 0 H ILE A 30 -1.155 1.253 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.544 3.527 -8.363 1.00 0.00 H new ATOM 0 HB ILE A 30 1.262 1.176 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.349 0.585 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.033 1.502 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.364 1.687 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.473 3.052 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.305 3.102 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.333 -0.887 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.236 0.017 -9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.167 -0.915 -8.567 1.00 0.00 H new ATOM 444 N THR A 31 0.435 4.885 -10.348 1.00 0.00 N ATOM 445 CA THR A 31 1.239 5.768 -11.183 1.00 0.00 C ATOM 446 C THR A 31 2.154 6.644 -10.336 1.00 0.00 C ATOM 447 O THR A 31 3.147 7.179 -10.827 1.00 0.00 O ATOM 448 CB THR A 31 0.353 6.670 -12.063 1.00 0.00 C ATOM 449 OG1 THR A 31 1.171 7.550 -12.842 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.607 7.484 -11.209 1.00 0.00 C ATOM 0 H THR A 31 -0.478 5.262 -10.094 1.00 0.00 H new ATOM 0 HA THR A 31 1.845 5.129 -11.825 1.00 0.00 H new ATOM 0 HB THR A 31 -0.229 6.032 -12.728 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.600 8.119 -13.400 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.222 8.113 -11.852 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.248 6.811 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.040 8.112 -10.522 1.00 0.00 H new ATOM 458 N ASN A 32 1.813 6.787 -9.059 1.00 0.00 N ATOM 459 CA ASN A 32 2.604 7.600 -8.143 1.00 0.00 C ATOM 460 C ASN A 32 2.680 6.949 -6.765 1.00 0.00 C ATOM 461 O ASN A 32 2.150 5.858 -6.552 1.00 0.00 O ATOM 462 CB ASN A 32 2.005 9.003 -8.024 1.00 0.00 C ATOM 463 CG ASN A 32 1.606 9.577 -9.369 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.355 9.486 -10.342 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.420 10.173 -9.430 1.00 0.00 N ATOM 0 H ASN A 32 0.994 6.350 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 32 3.614 7.677 -8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.131 8.968 -7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.729 9.665 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.097 10.578 -10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.168 10.225 -8.598 1.00 0.00 H new ATOM 472 N PHE A 33 3.343 7.625 -5.833 1.00 0.00 N ATOM 473 CA PHE A 33 3.489 7.113 -4.475 1.00 0.00 C ATOM 474 C PHE A 33 2.994 8.132 -3.453 1.00 0.00 C ATOM 475 O PHE A 33 3.348 8.070 -2.275 1.00 0.00 O ATOM 476 CB PHE A 33 4.951 6.761 -4.195 1.00 0.00 C ATOM 477 CG PHE A 33 5.326 5.371 -4.623 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.759 4.266 -4.009 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.246 5.169 -5.639 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.102 2.986 -4.400 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.593 3.891 -6.035 1.00 0.00 C ATOM 482 CZ PHE A 33 6.020 2.798 -5.415 1.00 0.00 C ATOM 0 H PHE A 33 3.788 8.529 -5.993 1.00 0.00 H new ATOM 0 HA PHE A 33 2.882 6.212 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.593 7.476 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.144 6.868 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.040 4.407 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.697 6.020 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.653 2.133 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.311 3.747 -6.828 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.289 1.798 -5.723 1.00 0.00 H new ATOM 492 N THR A 34 2.173 9.071 -3.912 1.00 0.00 N ATOM 493 CA THR A 34 1.631 10.105 -3.040 1.00 0.00 C ATOM 494 C THR A 34 0.112 10.173 -3.147 1.00 0.00 C ATOM 495 O THR A 34 -0.601 9.936 -2.171 1.00 0.00 O ATOM 496 CB THR A 34 2.220 11.489 -3.375 1.00 0.00 C ATOM 497 OG1 THR A 34 2.518 11.569 -4.773 1.00 0.00 O ATOM 498 CG2 THR A 34 3.482 11.750 -2.566 1.00 0.00 C ATOM 0 H THR A 34 1.869 9.137 -4.883 1.00 0.00 H new ATOM 0 HA THR A 34 1.910 9.837 -2.021 1.00 0.00 H new ATOM 0 HB THR A 34 1.480 12.247 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.890 12.452 -4.978 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.880 12.733 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.246 11.717 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.226 10.987 -2.796 1.00 0.00 H new ATOM 506 N THR A 35 -0.379 10.498 -4.339 1.00 0.00 N ATOM 507 CA THR A 35 -1.815 10.597 -4.572 1.00 0.00 C ATOM 508 C THR A 35 -2.401 9.248 -4.973 1.00 0.00 C ATOM 509 O THR A 35 -3.619 9.068 -4.981 1.00 0.00 O ATOM 510 CB THR A 35 -2.135 11.630 -5.670 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.423 11.306 -6.870 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.763 13.034 -5.217 1.00 0.00 C ATOM 0 H THR A 35 0.196 10.697 -5.158 1.00 0.00 H new ATOM 0 HA THR A 35 -2.266 10.922 -3.635 1.00 0.00 H new ATOM 0 HB THR A 35 -3.207 11.600 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.633 11.966 -7.563 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.998 13.746 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.328 13.289 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.696 13.075 -4.997 1.00 0.00 H new ATOM 520 N SER A 36 -1.527 8.303 -5.304 1.00 0.00 N ATOM 521 CA SER A 36 -1.960 6.970 -5.708 1.00 0.00 C ATOM 522 C SER A 36 -2.442 6.167 -4.504 1.00 0.00 C ATOM 523 O SER A 36 -3.223 5.226 -4.645 1.00 0.00 O ATOM 524 CB SER A 36 -0.816 6.230 -6.405 1.00 0.00 C ATOM 525 OG SER A 36 -1.075 4.838 -6.469 1.00 0.00 O ATOM 0 H SER A 36 -0.516 8.435 -5.300 1.00 0.00 H new ATOM 0 HA SER A 36 -2.791 7.080 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.683 6.625 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.116 6.406 -5.868 1.00 0.00 H new ATOM 0 HG SER A 36 -0.726 4.403 -5.663 1.00 0.00 H new ATOM 531 N TRP A 37 -1.971 6.545 -3.321 1.00 0.00 N ATOM 532 CA TRP A 37 -2.353 5.861 -2.092 1.00 0.00 C ATOM 533 C TRP A 37 -3.105 6.801 -1.156 1.00 0.00 C ATOM 534 O TRP A 37 -3.647 6.375 -0.137 1.00 0.00 O ATOM 535 CB TRP A 37 -1.115 5.303 -1.388 1.00 0.00 C ATOM 536 CG TRP A 37 -0.149 4.639 -2.322 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.677 5.253 -3.219 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.088 3.233 -2.451 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.414 4.313 -3.899 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.072 3.066 -3.445 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.433 2.099 -1.823 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.542 1.812 -3.824 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.034 0.854 -2.200 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.014 0.719 -3.193 1.00 0.00 C ATOM 0 H TRP A 37 -1.324 7.322 -3.187 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.015 5.036 -2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.606 6.114 -0.867 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.429 4.585 -0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.742 6.320 -3.372 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.104 4.511 -4.624 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.188 2.194 -1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.297 1.706 -4.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.363 -0.029 -1.722 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.359 -0.267 -3.465 1.00 0.00 H new ATOM 555 N ARG A 38 -3.134 8.082 -1.510 1.00 0.00 N ATOM 556 CA ARG A 38 -3.819 9.083 -0.700 1.00 0.00 C ATOM 557 C ARG A 38 -5.181 8.571 -0.241 1.00 0.00 C ATOM 558 O ARG A 38 -5.597 8.815 0.890 1.00 0.00 O ATOM 559 CB ARG A 38 -3.990 10.380 -1.492 1.00 0.00 C ATOM 560 CG ARG A 38 -5.126 11.255 -0.990 1.00 0.00 C ATOM 561 CD ARG A 38 -4.993 12.684 -1.492 1.00 0.00 C ATOM 562 NE ARG A 38 -5.879 13.600 -0.778 1.00 0.00 N ATOM 563 CZ ARG A 38 -7.189 13.667 -0.986 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.763 12.875 -1.881 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.928 14.527 -0.296 1.00 0.00 N ATOM 0 H ARG A 38 -2.691 8.451 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.209 9.281 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.060 10.947 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.167 10.135 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.079 10.840 -1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.136 11.251 0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.961 13.014 -1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.220 12.717 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.469 14.222 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.198 12.212 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.769 12.929 -2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.490 15.137 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.934 14.578 -0.456 1.00 0.00 H new ATOM 579 N ASN A 39 -5.870 7.861 -1.129 1.00 0.00 N ATOM 580 CA ASN A 39 -7.186 7.316 -0.815 1.00 0.00 C ATOM 581 C ASN A 39 -7.064 6.048 0.025 1.00 0.00 C ATOM 582 O ASN A 39 -7.767 5.881 1.021 1.00 0.00 O ATOM 583 CB ASN A 39 -7.957 7.016 -2.102 1.00 0.00 C ATOM 584 CG ASN A 39 -7.042 6.613 -3.243 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.888 6.243 -3.027 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.556 6.682 -4.466 1.00 0.00 N ATOM 0 H ASN A 39 -5.539 7.650 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.732 8.062 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.674 6.217 -1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.530 7.896 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.989 6.422 -5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.518 6.994 -4.598 1.00 0.00 H new ATOM 593 N GLY A 40 -6.165 5.158 -0.385 1.00 0.00 N ATOM 594 CA GLY A 40 -5.966 3.917 0.341 1.00 0.00 C ATOM 595 C GLY A 40 -6.448 2.708 -0.435 1.00 0.00 C ATOM 596 O GLY A 40 -6.772 1.673 0.150 1.00 0.00 O ATOM 0 H GLY A 40 -5.571 5.274 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.907 3.799 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.494 3.968 1.293 1.00 0.00 H new ATOM 600 N LEU A 41 -6.497 2.836 -1.756 1.00 0.00 N ATOM 601 CA LEU A 41 -6.945 1.745 -2.615 1.00 0.00 C ATOM 602 C LEU A 41 -5.883 0.654 -2.707 1.00 0.00 C ATOM 603 O LEU A 41 -6.048 -0.434 -2.156 1.00 0.00 O ATOM 604 CB LEU A 41 -7.273 2.272 -4.013 1.00 0.00 C ATOM 605 CG LEU A 41 -8.545 3.113 -4.132 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.788 3.512 -5.579 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.741 2.352 -3.578 1.00 0.00 C ATOM 0 H LEU A 41 -6.232 3.685 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.845 1.315 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.431 2.871 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.359 1.421 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.414 4.021 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.697 4.110 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.943 4.097 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.899 2.616 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.637 2.965 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.875 1.427 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.569 2.118 -2.527 1.00 0.00 H new ATOM 619 N SER A 42 -4.793 0.954 -3.405 1.00 0.00 N ATOM 620 CA SER A 42 -3.704 -0.002 -3.571 1.00 0.00 C ATOM 621 C SER A 42 -3.405 -0.718 -2.257 1.00 0.00 C ATOM 622 O SER A 42 -3.259 -1.940 -2.222 1.00 0.00 O ATOM 623 CB SER A 42 -2.446 0.708 -4.076 1.00 0.00 C ATOM 624 OG SER A 42 -2.649 1.245 -5.371 1.00 0.00 O ATOM 0 H SER A 42 -4.640 1.851 -3.865 1.00 0.00 H new ATOM 0 HA SER A 42 -4.014 -0.744 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.174 1.507 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.612 0.006 -4.096 1.00 0.00 H new ATOM 0 HG SER A 42 -2.225 2.127 -5.430 1.00 0.00 H new ATOM 630 N PHE A 43 -3.316 0.052 -1.178 1.00 0.00 N ATOM 631 CA PHE A 43 -3.034 -0.507 0.139 1.00 0.00 C ATOM 632 C PHE A 43 -4.002 -1.639 0.468 1.00 0.00 C ATOM 633 O PHE A 43 -3.594 -2.704 0.932 1.00 0.00 O ATOM 634 CB PHE A 43 -3.124 0.583 1.209 1.00 0.00 C ATOM 635 CG PHE A 43 -1.846 1.353 1.390 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.642 0.690 1.565 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.850 2.738 1.385 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.534 1.395 1.733 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.676 3.449 1.551 1.00 0.00 C ATOM 640 CZ PHE A 43 0.518 2.776 1.724 1.00 0.00 C ATOM 0 H PHE A 43 -3.435 1.065 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.022 -0.911 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.922 1.276 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.401 0.126 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.623 -0.390 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.781 3.269 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.466 0.866 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.692 4.529 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.437 3.329 1.852 1.00 0.00 H new ATOM 650 N CYS A 44 -5.286 -1.401 0.225 1.00 0.00 N ATOM 651 CA CYS A 44 -6.314 -2.399 0.497 1.00 0.00 C ATOM 652 C CYS A 44 -6.286 -3.507 -0.551 1.00 0.00 C ATOM 653 O CYS A 44 -6.635 -4.652 -0.268 1.00 0.00 O ATOM 654 CB CYS A 44 -7.695 -1.744 0.528 1.00 0.00 C ATOM 655 SG CYS A 44 -8.009 -0.752 2.007 1.00 0.00 S ATOM 0 H CYS A 44 -5.640 -0.525 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.108 -2.841 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.804 -1.110 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.456 -2.521 0.457 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.606 0.467 1.805 1.00 0.00 H new ATOM 661 N ALA A 45 -5.871 -3.156 -1.764 1.00 0.00 N ATOM 662 CA ALA A 45 -5.797 -4.120 -2.855 1.00 0.00 C ATOM 663 C ALA A 45 -4.701 -5.150 -2.604 1.00 0.00 C ATOM 664 O ALA A 45 -4.899 -6.346 -2.819 1.00 0.00 O ATOM 665 CB ALA A 45 -5.560 -3.405 -4.176 1.00 0.00 C ATOM 0 H ALA A 45 -5.581 -2.211 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.750 -4.647 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.507 -4.137 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.380 -2.713 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.623 -2.851 -4.127 1.00 0.00 H new ATOM 671 N ILE A 46 -3.544 -4.678 -2.151 1.00 0.00 N ATOM 672 CA ILE A 46 -2.417 -5.558 -1.871 1.00 0.00 C ATOM 673 C ILE A 46 -2.789 -6.617 -0.839 1.00 0.00 C ATOM 674 O ILE A 46 -2.666 -7.816 -1.091 1.00 0.00 O ATOM 675 CB ILE A 46 -1.197 -4.767 -1.363 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.600 -3.926 -2.493 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.153 -5.714 -0.791 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.206 -2.743 -2.004 1.00 0.00 C ATOM 0 H ILE A 46 -3.363 -3.691 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.157 -6.046 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.523 -4.095 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.037 -4.560 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.406 -3.567 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.703 -5.140 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.585 -6.273 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.172 -6.408 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.599 -2.192 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.433 -2.087 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.033 -3.096 -1.388 1.00 0.00 H new ATOM 690 N LEU A 47 -3.247 -6.166 0.324 1.00 0.00 N ATOM 691 CA LEU A 47 -3.640 -7.075 1.396 1.00 0.00 C ATOM 692 C LEU A 47 -4.750 -8.013 0.934 1.00 0.00 C ATOM 693 O LEU A 47 -4.885 -9.128 1.440 1.00 0.00 O ATOM 694 CB LEU A 47 -4.103 -6.282 2.619 1.00 0.00 C ATOM 695 CG LEU A 47 -4.473 -7.106 3.853 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.265 -7.880 4.359 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.029 -6.207 4.947 1.00 0.00 C ATOM 0 H LEU A 47 -3.355 -5.177 0.549 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.772 -7.675 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.312 -5.585 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.969 -5.684 2.333 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.245 -7.821 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.547 -8.461 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.910 -8.553 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.471 -7.182 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.287 -6.810 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.278 -5.468 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.921 -5.698 4.581 1.00 0.00 H new ATOM 709 N HIS A 48 -5.541 -7.557 -0.031 1.00 0.00 N ATOM 710 CA HIS A 48 -6.638 -8.357 -0.564 1.00 0.00 C ATOM 711 C HIS A 48 -6.120 -9.404 -1.545 1.00 0.00 C ATOM 712 O HIS A 48 -6.809 -10.379 -1.849 1.00 0.00 O ATOM 713 CB HIS A 48 -7.665 -7.458 -1.254 1.00 0.00 C ATOM 714 CG HIS A 48 -8.899 -8.186 -1.692 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.910 -9.087 -2.735 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.167 -8.142 -1.220 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.132 -9.565 -2.888 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.914 -9.008 -1.980 1.00 0.00 N ATOM 0 H HIS A 48 -5.443 -6.637 -0.460 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.118 -8.871 0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.949 -6.655 -0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.201 -6.990 -2.123 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.101 -9.344 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.524 -7.538 -0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.440 -10.288 -3.629 1.00 0.00 H new ATOM 727 N HIS A 49 -4.903 -9.197 -2.036 1.00 0.00 N ATOM 728 CA HIS A 49 -4.293 -10.124 -2.983 1.00 0.00 C ATOM 729 C HIS A 49 -3.964 -11.452 -2.309 1.00 0.00 C ATOM 730 O HIS A 49 -4.319 -12.519 -2.810 1.00 0.00 O ATOM 731 CB HIS A 49 -3.024 -9.514 -3.581 1.00 0.00 C ATOM 732 CG HIS A 49 -2.402 -10.356 -4.652 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.067 -10.721 -5.803 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.167 -10.903 -4.742 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.268 -11.458 -6.555 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.110 -11.583 -5.934 1.00 0.00 N ATOM 0 H HIS A 49 -4.320 -8.396 -1.794 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.009 -10.311 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.262 -8.533 -3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.296 -9.357 -2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.375 -10.820 -4.013 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.520 -11.885 -7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.303 -12.101 -6.283 1.00 0.00 H new ATOM 745 N PHE A 50 -3.283 -11.379 -1.170 1.00 0.00 N ATOM 746 CA PHE A 50 -2.904 -12.575 -0.428 1.00 0.00 C ATOM 747 C PHE A 50 -4.131 -13.251 0.178 1.00 0.00 C ATOM 748 O PHE A 50 -4.348 -14.448 -0.007 1.00 0.00 O ATOM 749 CB PHE A 50 -1.906 -12.222 0.677 1.00 0.00 C ATOM 750 CG PHE A 50 -0.747 -11.396 0.196 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.867 -10.022 0.063 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.461 -11.993 -0.124 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.198 -9.260 -0.380 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.529 -11.236 -0.567 1.00 0.00 C ATOM 755 CZ PHE A 50 1.397 -9.868 -0.695 1.00 0.00 C ATOM 0 H PHE A 50 -2.982 -10.504 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.434 -13.269 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.426 -11.679 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.527 -13.142 1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.803 -9.541 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.570 -13.063 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.092 -8.190 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.466 -11.714 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.230 -9.274 -1.041 1.00 0.00 H new ATOM 765 N ARG A 51 -4.930 -12.474 0.902 1.00 0.00 N ATOM 766 CA ARG A 51 -6.134 -12.996 1.536 1.00 0.00 C ATOM 767 C ARG A 51 -7.326 -12.079 1.278 1.00 0.00 C ATOM 768 O ARG A 51 -7.465 -11.015 1.882 1.00 0.00 O ATOM 769 CB ARG A 51 -5.916 -13.154 3.042 1.00 0.00 C ATOM 770 CG ARG A 51 -5.438 -14.539 3.446 1.00 0.00 C ATOM 771 CD ARG A 51 -6.606 -15.461 3.760 1.00 0.00 C ATOM 772 NE ARG A 51 -6.986 -15.403 5.168 1.00 0.00 N ATOM 773 CZ ARG A 51 -6.192 -15.791 6.160 1.00 0.00 C ATOM 774 NH1 ARG A 51 -4.980 -16.262 5.899 1.00 0.00 N ATOM 775 NH2 ARG A 51 -6.610 -15.708 7.417 1.00 0.00 N ATOM 0 H ARG A 51 -4.765 -11.481 1.064 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.348 -13.973 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.186 -12.416 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.849 -12.935 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.840 -14.968 2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.789 -14.461 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.461 -15.186 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.340 -16.485 3.498 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.912 -15.045 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.655 -16.327 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.373 -16.559 6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.541 -15.346 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.000 -16.006 8.178 1.00 0.00 H new ATOM 789 N PRO A 52 -8.208 -12.499 0.359 1.00 0.00 N ATOM 790 CA PRO A 52 -9.404 -11.731 -0.001 1.00 0.00 C ATOM 791 C PRO A 52 -10.436 -11.706 1.121 1.00 0.00 C ATOM 792 O PRO A 52 -11.525 -11.153 0.964 1.00 0.00 O ATOM 793 CB PRO A 52 -9.954 -12.479 -1.218 1.00 0.00 C ATOM 794 CG PRO A 52 -9.450 -13.873 -1.065 1.00 0.00 C ATOM 795 CD PRO A 52 -8.106 -13.757 -0.400 1.00 0.00 C ATOM 0 HA PRO A 52 -9.172 -10.684 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.043 -12.452 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.605 -12.032 -2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.133 -14.471 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.365 -14.366 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.907 -14.606 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.298 -13.721 -1.131 1.00 0.00 H new ATOM 803 N ASP A 53 -10.088 -12.310 2.252 1.00 0.00 N ATOM 804 CA ASP A 53 -10.985 -12.356 3.402 1.00 0.00 C ATOM 805 C ASP A 53 -10.427 -11.533 4.559 1.00 0.00 C ATOM 806 O ASP A 53 -10.706 -11.815 5.725 1.00 0.00 O ATOM 807 CB ASP A 53 -11.204 -13.802 3.847 1.00 0.00 C ATOM 808 CG ASP A 53 -9.923 -14.463 4.318 1.00 0.00 C ATOM 809 OD1 ASP A 53 -9.211 -13.854 5.143 1.00 0.00 O ATOM 810 OD2 ASP A 53 -9.634 -15.590 3.862 1.00 0.00 O ATOM 0 H ASP A 53 -9.192 -12.774 2.397 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.942 -11.928 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.938 -13.824 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.622 -14.375 3.019 1.00 0.00 H new ATOM 815 N LEU A 54 -9.638 -10.517 4.229 1.00 0.00 N ATOM 816 CA LEU A 54 -9.039 -9.653 5.241 1.00 0.00 C ATOM 817 C LEU A 54 -9.650 -8.256 5.195 1.00 0.00 C ATOM 818 O LEU A 54 -9.918 -7.651 6.233 1.00 0.00 O ATOM 819 CB LEU A 54 -7.526 -9.568 5.037 1.00 0.00 C ATOM 820 CG LEU A 54 -6.696 -10.667 5.702 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.240 -10.571 5.270 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.811 -10.579 7.217 1.00 0.00 C ATOM 0 H LEU A 54 -9.398 -10.271 3.269 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.243 -10.086 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.322 -9.584 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.183 -8.604 5.412 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.086 -11.634 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.664 -11.361 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.173 -10.683 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.838 -9.600 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.214 -11.368 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.447 -9.608 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.854 -10.697 7.510 1.00 0.00 H new ATOM 834 N ILE A 55 -9.868 -7.752 3.986 1.00 0.00 N ATOM 835 CA ILE A 55 -10.450 -6.427 3.805 1.00 0.00 C ATOM 836 C ILE A 55 -11.753 -6.503 3.017 1.00 0.00 C ATOM 837 O ILE A 55 -12.216 -7.588 2.664 1.00 0.00 O ATOM 838 CB ILE A 55 -9.478 -5.480 3.078 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.031 -5.919 3.314 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.686 -4.047 3.547 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.514 -6.882 2.269 1.00 0.00 C ATOM 0 H ILE A 55 -9.651 -8.240 3.117 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.652 -6.032 4.801 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.681 -5.525 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.391 -5.037 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.957 -6.387 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.992 -3.389 3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.709 -3.739 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.506 -3.986 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.483 -7.150 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.131 -7.781 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.555 -6.410 1.287 1.00 0.00 H new ATOM 853 N ASP A 56 -12.340 -5.343 2.742 1.00 0.00 N ATOM 854 CA ASP A 56 -13.589 -5.277 1.992 1.00 0.00 C ATOM 855 C ASP A 56 -13.385 -4.565 0.658 1.00 0.00 C ATOM 856 O ASP A 56 -14.317 -3.979 0.107 1.00 0.00 O ATOM 857 CB ASP A 56 -14.662 -4.556 2.810 1.00 0.00 C ATOM 858 CG ASP A 56 -15.301 -5.457 3.848 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.333 -6.686 3.629 1.00 0.00 O ATOM 860 OD2 ASP A 56 -15.769 -4.933 4.880 1.00 0.00 O ATOM 0 H ASP A 56 -11.971 -4.436 3.027 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.919 -6.297 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.218 -3.693 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.432 -4.176 2.139 1.00 0.00 H new ATOM 865 N TYR A 57 -12.161 -4.620 0.146 1.00 0.00 N ATOM 866 CA TYR A 57 -11.834 -3.978 -1.122 1.00 0.00 C ATOM 867 C TYR A 57 -12.835 -4.368 -2.205 1.00 0.00 C ATOM 868 O TYR A 57 -12.965 -3.686 -3.222 1.00 0.00 O ATOM 869 CB TYR A 57 -10.418 -4.359 -1.560 1.00 0.00 C ATOM 870 CG TYR A 57 -9.938 -3.604 -2.779 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.398 -3.931 -4.049 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.025 -2.564 -2.661 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.961 -3.245 -5.165 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.584 -1.871 -3.772 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.055 -2.215 -5.022 1.00 0.00 C ATOM 876 OH TYR A 57 -8.618 -1.528 -6.131 1.00 0.00 O ATOM 0 H TYR A 57 -11.379 -5.102 0.589 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.885 -2.899 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.730 -4.176 -0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.387 -5.428 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.109 -4.735 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.653 -2.292 -1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.327 -3.514 -6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.874 -1.064 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.984 -0.833 -5.857 1.00 0.00 H new ATOM 886 N LYS A 58 -13.543 -5.469 -1.978 1.00 0.00 N ATOM 887 CA LYS A 58 -14.535 -5.951 -2.931 1.00 0.00 C ATOM 888 C LYS A 58 -15.674 -4.948 -3.086 1.00 0.00 C ATOM 889 O LYS A 58 -16.242 -4.801 -4.168 1.00 0.00 O ATOM 890 CB LYS A 58 -15.092 -7.304 -2.480 1.00 0.00 C ATOM 891 CG LYS A 58 -15.751 -7.264 -1.112 1.00 0.00 C ATOM 892 CD LYS A 58 -16.340 -8.614 -0.737 1.00 0.00 C ATOM 893 CE LYS A 58 -17.565 -8.941 -1.578 1.00 0.00 C ATOM 894 NZ LYS A 58 -18.671 -7.971 -1.346 1.00 0.00 N ATOM 0 H LYS A 58 -13.448 -6.045 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.045 -6.070 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.819 -7.651 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.282 -8.034 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.018 -6.965 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.537 -6.509 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.587 -9.391 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.612 -8.613 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.293 -8.936 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.909 -9.948 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.569 -8.386 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.733 -7.752 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.484 -7.097 -1.878 1.00 0.00 H new ATOM 908 N SER A 59 -16.001 -4.258 -1.997 1.00 0.00 N ATOM 909 CA SER A 59 -17.073 -3.270 -2.012 1.00 0.00 C ATOM 910 C SER A 59 -16.553 -1.899 -1.592 1.00 0.00 C ATOM 911 O SER A 59 -17.296 -1.080 -1.049 1.00 0.00 O ATOM 912 CB SER A 59 -18.208 -3.704 -1.083 1.00 0.00 C ATOM 913 OG SER A 59 -17.742 -3.881 0.243 1.00 0.00 O ATOM 0 H SER A 59 -15.539 -4.365 -1.094 1.00 0.00 H new ATOM 0 HA SER A 59 -17.454 -3.199 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 59 -19.000 -2.955 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.644 -4.635 -1.446 1.00 0.00 H new ATOM 0 HG SER A 59 -18.487 -4.157 0.817 1.00 0.00 H new ATOM 919 N LEU A 60 -15.272 -1.655 -1.848 1.00 0.00 N ATOM 920 CA LEU A 60 -14.651 -0.382 -1.497 1.00 0.00 C ATOM 921 C LEU A 60 -14.752 0.610 -2.651 1.00 0.00 C ATOM 922 O LEU A 60 -15.382 0.330 -3.670 1.00 0.00 O ATOM 923 CB LEU A 60 -13.184 -0.596 -1.119 1.00 0.00 C ATOM 924 CG LEU A 60 -12.922 -1.082 0.306 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.458 -0.892 0.674 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.821 -0.351 1.293 1.00 0.00 C ATOM 0 H LEU A 60 -14.644 -2.321 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.184 0.031 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.753 -1.318 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.651 0.344 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.153 -2.146 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.290 -1.244 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.833 -1.461 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.201 0.165 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.621 -0.710 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.622 0.720 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.865 -0.538 1.042 1.00 0.00 H new ATOM 938 N ASN A 61 -14.124 1.769 -2.485 1.00 0.00 N ATOM 939 CA ASN A 61 -14.142 2.802 -3.514 1.00 0.00 C ATOM 940 C ASN A 61 -13.218 3.958 -3.140 1.00 0.00 C ATOM 941 O ASN A 61 -12.857 4.147 -1.978 1.00 0.00 O ATOM 942 CB ASN A 61 -15.566 3.321 -3.721 1.00 0.00 C ATOM 943 CG ASN A 61 -16.352 2.474 -4.704 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.752 2.192 -5.854 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.485 2.078 -4.431 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.596 2.017 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.785 2.359 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.086 3.339 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.527 4.349 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.907 2.319 -3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.002 1.509 -5.101 1.00 0.00 H new ATOM 952 N PRO A 62 -12.824 4.750 -4.149 1.00 0.00 N ATOM 953 CA PRO A 62 -11.938 5.901 -3.951 1.00 0.00 C ATOM 954 C PRO A 62 -12.622 7.036 -3.196 1.00 0.00 C ATOM 955 O PRO A 62 -12.039 8.102 -3.000 1.00 0.00 O ATOM 956 CB PRO A 62 -11.600 6.337 -5.379 1.00 0.00 C ATOM 957 CG PRO A 62 -12.745 5.859 -6.203 1.00 0.00 C ATOM 958 CD PRO A 62 -13.215 4.584 -5.559 1.00 0.00 C ATOM 0 HA PRO A 62 -11.065 5.645 -3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.489 7.419 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.660 5.898 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.544 6.600 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.438 5.685 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.292 4.454 -5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.743 3.710 -6.007 1.00 0.00 H new ATOM 966 N GLN A 63 -13.860 6.799 -2.774 1.00 0.00 N ATOM 967 CA GLN A 63 -14.621 7.802 -2.040 1.00 0.00 C ATOM 968 C GLN A 63 -14.203 7.838 -0.574 1.00 0.00 C ATOM 969 O GLN A 63 -14.530 8.777 0.152 1.00 0.00 O ATOM 970 CB GLN A 63 -16.120 7.515 -2.149 1.00 0.00 C ATOM 971 CG GLN A 63 -16.494 6.088 -1.784 1.00 0.00 C ATOM 972 CD GLN A 63 -16.018 5.695 -0.399 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.097 6.484 0.543 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.521 4.471 -0.269 1.00 0.00 N ATOM 0 H GLN A 63 -14.357 5.922 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.411 8.776 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.661 8.201 -1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.447 7.718 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.577 5.976 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.066 5.405 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.475 3.851 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.185 4.151 0.639 1.00 0.00 H new ATOM 983 N ASP A 64 -13.480 6.810 -0.145 1.00 0.00 N ATOM 984 CA ASP A 64 -13.016 6.724 1.235 1.00 0.00 C ATOM 985 C ASP A 64 -11.503 6.903 1.313 1.00 0.00 C ATOM 986 O ASP A 64 -10.744 6.070 0.817 1.00 0.00 O ATOM 987 CB ASP A 64 -13.416 5.380 1.847 1.00 0.00 C ATOM 988 CG ASP A 64 -14.802 5.412 2.460 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.230 6.498 2.904 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.459 4.351 2.496 1.00 0.00 O ATOM 0 H ASP A 64 -13.202 6.024 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.488 7.527 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.380 4.609 1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.690 5.102 2.611 1.00 0.00 H new ATOM 995 N ILE A 65 -11.073 7.994 1.936 1.00 0.00 N ATOM 996 CA ILE A 65 -9.651 8.282 2.078 1.00 0.00 C ATOM 997 C ILE A 65 -9.145 7.886 3.461 1.00 0.00 C ATOM 998 O ILE A 65 -8.041 7.359 3.603 1.00 0.00 O ATOM 999 CB ILE A 65 -9.352 9.774 1.842 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.708 10.168 0.407 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.889 10.074 2.132 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.524 11.642 0.122 1.00 0.00 C ATOM 0 H ILE A 65 -11.689 8.694 2.351 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.133 7.692 1.322 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.965 10.364 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.090 9.593 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.745 9.895 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.694 11.133 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.666 9.827 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.258 9.477 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.795 11.849 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.162 12.224 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.482 11.917 0.286 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.961 8.140 4.478 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.599 7.808 5.851 1.00 0.00 C ATOM 1016 C LYS A 66 -9.805 6.321 6.124 1.00 0.00 C ATOM 1017 O LYS A 66 -8.919 5.649 6.649 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.429 8.637 6.834 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.812 8.736 8.218 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.679 9.557 9.158 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.450 11.048 8.969 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.656 11.845 9.329 1.00 0.00 N ATOM 0 H LYS A 66 -10.878 8.575 4.377 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.543 8.042 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.559 9.641 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.423 8.197 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.675 7.736 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.823 9.189 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.729 9.324 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.460 9.282 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.608 11.367 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.181 11.245 7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.459 12.856 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.454 11.559 8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.898 11.677 10.326 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.980 5.815 5.762 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.301 4.408 5.967 1.00 0.00 C ATOM 1038 C GLU A 67 -10.331 3.512 5.203 1.00 0.00 C ATOM 1039 O GLU A 67 -9.507 2.820 5.799 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.736 4.119 5.524 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.105 2.646 5.577 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.573 2.422 5.882 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.421 3.036 5.201 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.874 1.633 6.802 1.00 0.00 O ATOM 0 H GLU A 67 -11.725 6.359 5.326 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.207 4.192 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.423 4.680 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.873 4.483 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.861 2.180 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.500 2.151 6.337 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.436 3.530 3.878 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.569 2.718 3.031 1.00 0.00 C ATOM 1053 C ASN A 68 -8.192 2.551 3.664 1.00 0.00 C ATOM 1054 O ASN A 68 -7.719 1.432 3.859 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.433 3.355 1.647 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.558 2.955 0.712 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.529 2.323 1.127 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.432 3.323 -0.557 1.00 0.00 N ATOM 0 H ASN A 68 -11.113 4.098 3.368 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.023 1.732 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.418 4.440 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.479 3.063 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.158 3.083 -1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.609 3.846 -0.857 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.553 3.672 3.985 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.230 3.650 4.596 1.00 0.00 C ATOM 1067 C ASN A 69 -6.263 2.924 5.938 1.00 0.00 C ATOM 1068 O ASN A 69 -5.471 2.013 6.184 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.710 5.076 4.788 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.968 5.590 3.569 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.742 5.700 3.575 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.712 5.908 2.515 1.00 0.00 N ATOM 0 H ASN A 69 -7.931 4.607 3.832 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.557 3.112 3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.547 5.739 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.047 5.105 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.270 6.260 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.726 5.801 2.555 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.184 3.333 6.803 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.323 2.722 8.120 1.00 0.00 C ATOM 1081 C LYS A 70 -7.420 1.204 8.007 1.00 0.00 C ATOM 1082 O LYS A 70 -6.681 0.473 8.667 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.561 3.272 8.832 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.804 2.651 10.197 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.608 3.576 11.095 1.00 0.00 C ATOM 1086 CE LYS A 70 -9.441 3.212 12.562 1.00 0.00 C ATOM 1087 NZ LYS A 70 -10.230 2.002 12.927 1.00 0.00 N ATOM 0 H LYS A 70 -7.846 4.086 6.616 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.436 2.969 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.455 4.351 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.436 3.103 8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.334 1.706 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.848 2.424 10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.290 4.606 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.662 3.523 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.387 3.036 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.755 4.051 13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.089 1.787 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.239 2.179 12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.913 1.195 12.353 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.336 0.735 7.166 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.529 -0.696 6.965 1.00 0.00 C ATOM 1103 C LYS A 71 -7.188 -1.412 6.828 1.00 0.00 C ATOM 1104 O LYS A 71 -6.927 -2.397 7.517 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.382 -0.946 5.719 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.699 -0.190 5.722 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.491 -0.445 4.451 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.463 -1.602 4.622 1.00 0.00 C ATOM 1109 NZ LYS A 71 -13.534 -1.286 5.607 1.00 0.00 N ATOM 0 H LYS A 71 -8.957 1.326 6.613 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.046 -1.094 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.811 -0.661 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.586 -2.014 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.290 -0.491 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.506 0.878 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.040 0.456 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.806 -0.662 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.914 -1.842 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.919 -2.488 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.386 -1.839 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.207 -1.527 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.758 -0.271 5.562 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.342 -0.908 5.935 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.028 -1.497 5.711 1.00 0.00 C ATOM 1125 C ALA A 72 -4.220 -1.544 7.004 1.00 0.00 C ATOM 1126 O ALA A 72 -3.983 -2.616 7.560 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.275 -0.717 4.644 1.00 0.00 C ATOM 0 H ALA A 72 -6.544 -0.093 5.355 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.170 -2.521 5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.295 -1.168 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.838 -0.739 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.151 0.316 4.968 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.799 -0.376 7.475 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.015 -0.284 8.701 1.00 0.00 C ATOM 1135 C TYR A 73 -3.450 -1.345 9.707 1.00 0.00 C ATOM 1136 O TYR A 73 -2.619 -1.957 10.379 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.155 1.109 9.318 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.911 2.233 8.338 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.906 2.142 7.382 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.683 3.388 8.367 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.678 3.167 6.485 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.464 4.417 7.473 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.460 4.302 6.534 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.237 5.326 5.642 1.00 0.00 O ATOM 0 H TYR A 73 -3.987 0.521 7.027 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.969 -0.458 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.157 1.213 9.735 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.453 1.202 10.147 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.293 1.254 7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.469 3.482 9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.892 3.080 5.749 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.075 5.307 7.509 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.733 5.153 4.815 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.758 -1.557 9.805 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.305 -2.545 10.727 1.00 0.00 C ATOM 1156 C ASP A 74 -4.964 -3.961 10.272 1.00 0.00 C ATOM 1157 O ASP A 74 -4.515 -4.787 11.066 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.822 -2.384 10.839 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.221 -1.376 11.898 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -6.926 -0.176 11.716 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -7.826 -1.786 12.911 1.00 0.00 O ATOM 0 H ASP A 74 -5.459 -1.058 9.257 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.856 -2.379 11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.223 -2.072 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.270 -3.349 11.073 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.181 -4.233 8.989 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.892 -5.550 8.452 1.00 0.00 C ATOM 1168 C GLY A 75 -3.409 -5.867 8.460 1.00 0.00 C ATOM 1169 O GLY A 75 -2.988 -6.883 9.013 1.00 0.00 O ATOM 0 H GLY A 75 -5.551 -3.566 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.424 -6.302 9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.268 -5.613 7.431 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.616 -4.997 7.845 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.172 -5.190 7.781 1.00 0.00 C ATOM 1175 C PHE A 76 -0.579 -5.321 9.181 1.00 0.00 C ATOM 1176 O PHE A 76 0.170 -6.255 9.465 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.512 -4.025 7.042 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.832 -3.987 5.575 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.488 -5.045 4.750 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.477 -2.893 5.021 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.781 -5.014 3.399 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.774 -2.856 3.672 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.424 -3.917 2.860 1.00 0.00 C ATOM 0 H PHE A 76 -2.949 -4.151 7.383 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.978 -6.113 7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.830 -3.088 7.499 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.569 -4.091 7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.015 -5.905 5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.751 -2.060 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.508 -5.846 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.279 -1.998 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.653 -3.889 1.805 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.919 -4.376 10.052 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.422 -4.386 11.422 1.00 0.00 C ATOM 1195 C ALA A 77 -0.956 -5.589 12.191 1.00 0.00 C ATOM 1196 O ALA A 77 -0.567 -5.830 13.334 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.802 -3.094 12.130 1.00 0.00 C ATOM 0 H ALA A 77 -1.536 -3.594 9.833 1.00 0.00 H new ATOM 0 HA ALA A 77 0.665 -4.463 11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.425 -3.115 13.152 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.367 -2.247 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.887 -2.993 12.146 1.00 0.00 H new ATOM 1203 N SER A 78 -1.849 -6.343 11.557 1.00 0.00 N ATOM 1204 CA SER A 78 -2.439 -7.519 12.185 1.00 0.00 C ATOM 1205 C SER A 78 -1.431 -8.662 12.253 1.00 0.00 C ATOM 1206 O SER A 78 -1.581 -9.591 13.048 1.00 0.00 O ATOM 1207 CB SER A 78 -3.682 -7.966 11.412 1.00 0.00 C ATOM 1208 OG SER A 78 -4.621 -8.588 12.271 1.00 0.00 O ATOM 0 H SER A 78 -2.179 -6.160 10.609 1.00 0.00 H new ATOM 0 HA SER A 78 -2.728 -7.251 13.201 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.142 -7.105 10.928 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.393 -8.659 10.622 1.00 0.00 H new ATOM 0 HG SER A 78 -5.406 -8.863 11.753 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.403 -8.587 11.414 1.00 0.00 N ATOM 1215 CA ILE A 79 0.631 -9.613 11.380 1.00 0.00 C ATOM 1216 C ILE A 79 1.921 -9.117 12.025 1.00 0.00 C ATOM 1217 O ILE A 79 2.746 -9.909 12.478 1.00 0.00 O ATOM 1218 CB ILE A 79 0.932 -10.061 9.937 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.914 -8.858 8.992 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.076 -11.110 9.487 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.365 -9.187 7.586 1.00 0.00 C ATOM 0 H ILE A 79 -0.264 -7.826 10.749 1.00 0.00 H new ATOM 0 HA ILE A 79 0.249 -10.464 11.945 1.00 0.00 H new ATOM 0 HB ILE A 79 1.927 -10.505 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.096 -8.451 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.558 -8.078 9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.150 -11.417 8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.019 -11.976 10.147 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.081 -10.689 9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.327 -8.287 6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.387 -9.566 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.707 -9.945 7.161 1.00 0.00 H new ATOM 1233 N GLY A 80 2.087 -7.798 12.064 1.00 0.00 N ATOM 1234 CA GLY A 80 3.278 -7.218 12.657 1.00 0.00 C ATOM 1235 C GLY A 80 3.759 -5.991 11.909 1.00 0.00 C ATOM 1236 O GLY A 80 4.695 -5.319 12.343 1.00 0.00 O ATOM 0 H GLY A 80 1.418 -7.121 11.696 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.071 -6.950 13.693 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.072 -7.964 12.674 1.00 0.00 H new ATOM 1240 N ILE A 81 3.119 -5.698 10.782 1.00 0.00 N ATOM 1241 CA ILE A 81 3.488 -4.544 9.972 1.00 0.00 C ATOM 1242 C ILE A 81 3.093 -3.241 10.660 1.00 0.00 C ATOM 1243 O ILE A 81 1.974 -2.755 10.495 1.00 0.00 O ATOM 1244 CB ILE A 81 2.829 -4.598 8.581 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.207 -5.895 7.864 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.240 -3.389 7.754 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.676 -5.980 6.450 1.00 0.00 C ATOM 0 H ILE A 81 2.342 -6.244 10.409 1.00 0.00 H new ATOM 0 HA ILE A 81 4.571 -4.575 9.853 1.00 0.00 H new ATOM 0 HB ILE A 81 1.746 -4.577 8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.293 -5.985 7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.828 -6.741 8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.767 -3.441 6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.925 -2.477 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.323 -3.382 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.982 -6.926 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.588 -5.922 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.075 -5.154 5.861 1.00 0.00 H new ATOM 1259 N SER A 82 4.020 -2.679 11.429 1.00 0.00 N ATOM 1260 CA SER A 82 3.768 -1.433 12.143 1.00 0.00 C ATOM 1261 C SER A 82 3.315 -0.338 11.182 1.00 0.00 C ATOM 1262 O SER A 82 3.968 -0.074 10.173 1.00 0.00 O ATOM 1263 CB SER A 82 5.027 -0.985 12.889 1.00 0.00 C ATOM 1264 OG SER A 82 5.368 -1.903 13.912 1.00 0.00 O ATOM 0 H SER A 82 4.952 -3.067 11.573 1.00 0.00 H new ATOM 0 HA SER A 82 2.971 -1.611 12.865 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.856 -0.894 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.865 0.002 13.321 1.00 0.00 H new ATOM 0 HG SER A 82 6.177 -1.595 14.372 1.00 0.00 H new ATOM 1270 N ARG A 83 2.192 0.295 11.504 1.00 0.00 N ATOM 1271 CA ARG A 83 1.649 1.361 10.670 1.00 0.00 C ATOM 1272 C ARG A 83 2.458 2.644 10.834 1.00 0.00 C ATOM 1273 O ARG A 83 2.609 3.158 11.943 1.00 0.00 O ATOM 1274 CB ARG A 83 0.184 1.619 11.025 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.028 2.036 12.471 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.507 2.156 12.805 1.00 0.00 C ATOM 1277 NE ARG A 83 -2.084 3.397 12.294 1.00 0.00 N ATOM 1278 CZ ARG A 83 -3.309 3.815 12.592 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -4.081 3.096 13.395 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -3.763 4.956 12.088 1.00 0.00 N ATOM 0 H ARG A 83 1.640 0.088 12.337 1.00 0.00 H new ATOM 0 HA ARG A 83 1.712 1.043 9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.208 2.397 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.393 0.716 10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.438 1.306 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.466 2.991 12.652 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.044 1.306 12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.639 2.113 13.886 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.515 3.974 11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.735 2.220 13.785 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.021 3.419 13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.171 5.512 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.704 5.276 12.317 1.00 0.00 H new ATOM 1294 N LEU A 84 2.976 3.157 9.723 1.00 0.00 N ATOM 1295 CA LEU A 84 3.769 4.381 9.743 1.00 0.00 C ATOM 1296 C LEU A 84 2.919 5.587 9.358 1.00 0.00 C ATOM 1297 O LEU A 84 2.943 6.617 10.034 1.00 0.00 O ATOM 1298 CB LEU A 84 4.959 4.256 8.790 1.00 0.00 C ATOM 1299 CG LEU A 84 6.094 3.340 9.249 1.00 0.00 C ATOM 1300 CD1 LEU A 84 5.653 1.885 9.214 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.329 3.545 8.383 1.00 0.00 C ATOM 0 H LEU A 84 2.861 2.744 8.797 1.00 0.00 H new ATOM 0 HA LEU A 84 4.138 4.529 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.593 3.894 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.369 5.252 8.620 1.00 0.00 H new ATOM 0 HG LEU A 84 6.349 3.597 10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.474 1.248 9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.798 1.748 9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.370 1.615 8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.126 2.885 8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.088 3.316 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.659 4.581 8.459 1.00 0.00 H new ATOM 1313 N LEU A 85 2.168 5.453 8.271 1.00 0.00 N ATOM 1314 CA LEU A 85 1.308 6.531 7.797 1.00 0.00 C ATOM 1315 C LEU A 85 -0.045 6.498 8.501 1.00 0.00 C ATOM 1316 O LEU A 85 -0.440 5.474 9.057 1.00 0.00 O ATOM 1317 CB LEU A 85 1.111 6.426 6.284 1.00 0.00 C ATOM 1318 CG LEU A 85 0.883 7.745 5.543 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.963 8.753 5.904 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.849 7.513 4.040 1.00 0.00 C ATOM 0 H LEU A 85 2.137 4.608 7.701 1.00 0.00 H new ATOM 0 HA LEU A 85 1.795 7.479 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.988 5.939 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.259 5.773 6.093 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.081 8.150 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.785 9.685 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.940 8.942 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.939 8.356 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.686 8.462 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.798 7.085 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.039 6.826 3.796 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.750 7.624 8.470 1.00 0.00 N ATOM 1333 CA GLU A 86 -2.060 7.722 9.104 1.00 0.00 C ATOM 1334 C GLU A 86 -3.156 7.923 8.061 1.00 0.00 C ATOM 1335 O GLU A 86 -2.948 8.543 7.018 1.00 0.00 O ATOM 1336 CB GLU A 86 -2.079 8.876 10.110 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.025 8.754 11.197 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.203 9.779 12.300 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.358 10.171 12.565 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -0.186 10.188 12.898 1.00 0.00 O ATOM 0 H GLU A 86 -0.437 8.481 8.013 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.251 6.787 9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.931 9.815 9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.064 8.925 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.066 7.753 11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.036 8.871 10.754 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.351 7.387 8.348 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.503 7.493 7.449 1.00 0.00 C ATOM 1349 C PRO A 87 -6.050 8.915 7.374 1.00 0.00 C ATOM 1350 O PRO A 87 -6.305 9.435 6.288 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.535 6.556 8.081 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.167 6.505 9.524 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.669 6.634 9.574 1.00 0.00 C ATOM 0 HA PRO A 87 -5.244 7.233 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.548 6.933 7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.500 5.565 7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.647 7.312 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.493 5.569 9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.341 7.164 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.182 5.659 9.585 1.00 0.00 H new ATOM 1361 N SER A 88 -6.228 9.538 8.534 1.00 0.00 N ATOM 1362 CA SER A 88 -6.748 10.898 8.600 1.00 0.00 C ATOM 1363 C SER A 88 -5.771 11.884 7.966 1.00 0.00 C ATOM 1364 O SER A 88 -6.163 12.743 7.176 1.00 0.00 O ATOM 1365 CB SER A 88 -7.020 11.294 10.052 1.00 0.00 C ATOM 1366 OG SER A 88 -5.841 11.206 10.834 1.00 0.00 O ATOM 0 H SER A 88 -6.020 9.122 9.442 1.00 0.00 H new ATOM 0 HA SER A 88 -7.684 10.930 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.409 12.312 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.788 10.644 10.472 1.00 0.00 H new ATOM 0 HG SER A 88 -6.041 11.466 11.758 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.497 11.755 8.320 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.463 12.633 7.786 1.00 0.00 C ATOM 1374 C ASP A 89 -3.661 12.861 6.291 1.00 0.00 C ATOM 1375 O ASP A 89 -3.636 13.996 5.818 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.077 12.039 8.045 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.649 12.177 9.493 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.477 11.896 10.386 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.487 12.564 9.733 1.00 0.00 O ATOM 0 H ASP A 89 -4.156 11.051 8.974 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.539 13.594 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.080 10.985 7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.347 12.534 7.405 1.00 0.00 H new ATOM 1384 N MET A 90 -3.857 11.773 5.553 1.00 0.00 N ATOM 1385 CA MET A 90 -4.060 11.855 4.111 1.00 0.00 C ATOM 1386 C MET A 90 -5.227 12.778 3.778 1.00 0.00 C ATOM 1387 O MET A 90 -5.192 13.507 2.787 1.00 0.00 O ATOM 1388 CB MET A 90 -4.313 10.462 3.530 1.00 0.00 C ATOM 1389 CG MET A 90 -3.149 9.504 3.719 1.00 0.00 C ATOM 1390 SD MET A 90 -1.880 9.696 2.452 1.00 0.00 S ATOM 1391 CE MET A 90 -1.639 7.992 1.954 1.00 0.00 C ATOM 0 H MET A 90 -3.880 10.825 5.929 1.00 0.00 H new ATOM 0 HA MET A 90 -3.155 12.268 3.665 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.201 10.038 3.998 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.527 10.555 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.705 9.667 4.701 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.520 8.479 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.638 7.872 1.539 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.753 7.340 2.820 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.379 7.725 1.200 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.262 12.741 4.612 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.440 13.575 4.406 1.00 0.00 C ATOM 1403 C VAL A 91 -7.138 15.038 4.711 1.00 0.00 C ATOM 1404 O VAL A 91 -7.572 15.937 3.990 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.617 13.111 5.284 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.863 13.930 4.984 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.882 11.627 5.079 1.00 0.00 C ATOM 0 H VAL A 91 -6.308 12.142 5.437 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.718 13.476 3.357 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.351 13.268 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.684 13.588 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.664 14.982 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.135 13.808 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.717 11.316 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.126 11.442 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.993 11.058 5.350 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.391 15.270 5.785 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.030 16.625 6.187 1.00 0.00 C ATOM 1419 C LEU A 92 -5.262 17.336 5.077 1.00 0.00 C ATOM 1420 O LEU A 92 -5.740 18.318 4.507 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.188 16.592 7.464 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.822 15.893 8.667 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.781 15.638 9.746 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.973 16.721 9.220 1.00 0.00 C ATOM 0 H LEU A 92 -6.024 14.538 6.393 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.950 17.178 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.242 16.099 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.953 17.618 7.747 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.217 14.932 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.251 15.140 10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.990 15.004 9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.355 16.587 10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.412 16.208 10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.602 17.697 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.731 16.852 8.448 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.071 16.832 4.773 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.237 17.417 3.728 1.00 0.00 C ATOM 1438 C LEU A 93 -3.677 16.939 2.348 1.00 0.00 C ATOM 1439 O LEU A 93 -4.297 15.885 2.215 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.768 17.059 3.961 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.420 15.572 3.888 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.292 15.124 2.440 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.136 15.286 4.653 1.00 0.00 C ATOM 0 H LEU A 93 -3.661 16.020 5.235 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.352 18.500 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.164 17.590 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.475 17.433 4.942 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.228 15.006 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.044 14.063 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.237 15.292 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.504 15.696 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.096 14.223 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.682 15.862 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.265 15.568 5.698 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.350 17.721 1.325 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.707 17.375 -0.045 1.00 0.00 C ATOM 1457 C ALA A 94 -2.777 16.302 -0.601 1.00 0.00 C ATOM 1458 O ALA A 94 -3.225 15.233 -1.015 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.674 18.614 -0.928 1.00 0.00 C ATOM 0 H ALA A 94 -2.838 18.598 1.419 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.720 16.973 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.943 18.341 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.385 19.349 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.671 19.041 -0.919 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.481 16.595 -0.608 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.488 15.654 -1.113 1.00 0.00 C ATOM 1467 C ILE A 95 0.455 15.202 -0.003 1.00 0.00 C ATOM 1468 O ILE A 95 1.100 16.010 0.665 1.00 0.00 O ATOM 1469 CB ILE A 95 0.340 16.270 -2.256 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.576 16.993 -3.246 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.148 15.192 -2.964 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.121 16.095 -4.334 1.00 0.00 C ATOM 0 H ILE A 95 -1.094 17.476 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.035 14.792 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 95 1.033 16.998 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.409 17.435 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.025 17.813 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.728 15.642 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.823 14.717 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.472 14.444 -3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.761 16.675 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.294 15.672 -4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.701 15.289 -3.884 1.00 0.00 H new ATOM 1484 N PRO A 96 0.540 13.879 0.198 1.00 0.00 N ATOM 1485 CA PRO A 96 1.404 13.288 1.225 1.00 0.00 C ATOM 1486 C PRO A 96 2.885 13.431 0.889 1.00 0.00 C ATOM 1487 O PRO A 96 3.260 14.219 0.021 1.00 0.00 O ATOM 1488 CB PRO A 96 0.996 11.813 1.226 1.00 0.00 C ATOM 1489 CG PRO A 96 0.452 11.569 -0.139 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.200 12.857 -0.561 1.00 0.00 C ATOM 0 HA PRO A 96 1.283 13.778 2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.849 11.167 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.248 11.610 1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.246 11.288 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.268 10.751 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.117 13.016 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.263 12.868 -0.319 1.00 0.00 H new ATOM 1498 N ASP A 97 3.720 12.665 1.581 1.00 0.00 N ATOM 1499 CA ASP A 97 5.160 12.705 1.354 1.00 0.00 C ATOM 1500 C ASP A 97 5.646 11.409 0.712 1.00 0.00 C ATOM 1501 O ASP A 97 5.816 10.394 1.387 1.00 0.00 O ATOM 1502 CB ASP A 97 5.899 12.943 2.672 1.00 0.00 C ATOM 1503 CG ASP A 97 6.007 14.415 3.018 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.748 15.136 2.318 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.349 14.846 3.988 1.00 0.00 O ATOM 0 H ASP A 97 3.425 12.009 2.304 1.00 0.00 H new ATOM 0 HA ASP A 97 5.372 13.529 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.380 12.421 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.899 12.514 2.607 1.00 0.00 H new ATOM 1510 N LYS A 98 5.866 11.451 -0.598 1.00 0.00 N ATOM 1511 CA LYS A 98 6.332 10.282 -1.334 1.00 0.00 C ATOM 1512 C LYS A 98 7.321 9.473 -0.500 1.00 0.00 C ATOM 1513 O LYS A 98 7.153 8.267 -0.316 1.00 0.00 O ATOM 1514 CB LYS A 98 6.986 10.709 -2.650 1.00 0.00 C ATOM 1515 CG LYS A 98 7.134 9.576 -3.651 1.00 0.00 C ATOM 1516 CD LYS A 98 8.135 9.923 -4.741 1.00 0.00 C ATOM 1517 CE LYS A 98 9.554 9.561 -4.330 1.00 0.00 C ATOM 1518 NZ LYS A 98 10.566 10.369 -5.065 1.00 0.00 N ATOM 0 H LYS A 98 5.729 12.283 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 98 5.469 9.653 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.392 11.505 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.970 11.127 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.456 8.672 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.166 9.358 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.874 9.394 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.080 10.989 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.673 9.718 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.728 8.502 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.520 10.093 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.469 10.200 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.416 11.379 -4.865 1.00 0.00 H new ATOM 1532 N LEU A 99 8.351 10.145 0.002 1.00 0.00 N ATOM 1533 CA LEU A 99 9.368 9.489 0.818 1.00 0.00 C ATOM 1534 C LEU A 99 8.725 8.671 1.934 1.00 0.00 C ATOM 1535 O LEU A 99 9.045 7.496 2.120 1.00 0.00 O ATOM 1536 CB LEU A 99 10.319 10.527 1.414 1.00 0.00 C ATOM 1537 CG LEU A 99 11.034 11.436 0.414 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.486 12.722 1.089 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.219 10.714 -0.211 1.00 0.00 C ATOM 0 H LEU A 99 8.504 11.143 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 99 9.934 8.813 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.754 11.154 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.073 10.004 2.002 1.00 0.00 H new ATOM 0 HG LEU A 99 10.332 11.694 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.993 13.356 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.618 13.248 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.171 12.484 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.716 11.376 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.922 10.425 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.869 9.823 -0.731 1.00 0.00 H new ATOM 1551 N THR A 100 7.816 9.298 2.672 1.00 0.00 N ATOM 1552 CA THR A 100 7.127 8.629 3.769 1.00 0.00 C ATOM 1553 C THR A 100 6.395 7.385 3.280 1.00 0.00 C ATOM 1554 O THR A 100 6.795 6.259 3.577 1.00 0.00 O ATOM 1555 CB THR A 100 6.118 9.568 4.456 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.775 10.768 4.879 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.474 8.887 5.654 1.00 0.00 C ATOM 0 H THR A 100 7.539 10.269 2.530 1.00 0.00 H new ATOM 0 HA THR A 100 7.890 8.339 4.491 1.00 0.00 H new ATOM 0 HB THR A 100 5.338 9.816 3.736 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.126 11.360 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.765 9.570 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.950 7.990 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.245 8.613 6.374 1.00 0.00 H new ATOM 1565 N VAL A 101 5.319 7.594 2.528 1.00 0.00 N ATOM 1566 CA VAL A 101 4.531 6.489 1.996 1.00 0.00 C ATOM 1567 C VAL A 101 5.430 5.365 1.494 1.00 0.00 C ATOM 1568 O VAL A 101 5.361 4.237 1.982 1.00 0.00 O ATOM 1569 CB VAL A 101 3.617 6.953 0.846 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.831 5.780 0.281 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.681 8.054 1.321 1.00 0.00 C ATOM 0 H VAL A 101 4.973 8.519 2.273 1.00 0.00 H new ATOM 0 HA VAL A 101 3.913 6.119 2.814 1.00 0.00 H new ATOM 0 HB VAL A 101 4.242 7.357 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.191 6.128 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.522 5.028 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.215 5.342 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.043 8.370 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.062 7.679 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.267 8.903 1.672 1.00 0.00 H new ATOM 1581 N MET A 102 6.272 5.680 0.516 1.00 0.00 N ATOM 1582 CA MET A 102 7.187 4.696 -0.051 1.00 0.00 C ATOM 1583 C MET A 102 7.821 3.847 1.046 1.00 0.00 C ATOM 1584 O MET A 102 7.836 2.618 0.964 1.00 0.00 O ATOM 1585 CB MET A 102 8.278 5.393 -0.867 1.00 0.00 C ATOM 1586 CG MET A 102 7.827 5.803 -2.259 1.00 0.00 C ATOM 1587 SD MET A 102 9.208 6.211 -3.344 1.00 0.00 S ATOM 1588 CE MET A 102 9.583 4.601 -4.035 1.00 0.00 C ATOM 0 H MET A 102 6.340 6.609 0.099 1.00 0.00 H new ATOM 0 HA MET A 102 6.614 4.041 -0.708 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.614 6.278 -0.327 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.137 4.727 -0.954 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.248 4.993 -2.703 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.163 6.664 -2.183 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.102 4.725 -4.985 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.219 4.048 -3.344 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.657 4.050 -4.197 1.00 0.00 H new ATOM 1598 N THR A 103 8.344 4.509 2.074 1.00 0.00 N ATOM 1599 CA THR A 103 8.980 3.815 3.186 1.00 0.00 C ATOM 1600 C THR A 103 8.061 2.746 3.765 1.00 0.00 C ATOM 1601 O THR A 103 8.425 1.572 3.835 1.00 0.00 O ATOM 1602 CB THR A 103 9.377 4.795 4.306 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.272 5.789 3.793 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.039 4.058 5.461 1.00 0.00 C ATOM 0 H THR A 103 8.339 5.525 2.159 1.00 0.00 H new ATOM 0 HA THR A 103 9.879 3.342 2.791 1.00 0.00 H new ATOM 0 HB THR A 103 8.471 5.277 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.756 6.502 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.310 4.771 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.346 3.322 5.868 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.936 3.552 5.104 1.00 0.00 H new ATOM 1612 N TYR A 104 6.868 3.159 4.178 1.00 0.00 N ATOM 1613 CA TYR A 104 5.896 2.235 4.753 1.00 0.00 C ATOM 1614 C TYR A 104 5.706 1.017 3.855 1.00 0.00 C ATOM 1615 O TYR A 104 5.723 -0.123 4.323 1.00 0.00 O ATOM 1616 CB TYR A 104 4.556 2.940 4.966 1.00 0.00 C ATOM 1617 CG TYR A 104 3.484 2.041 5.540 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.784 1.113 6.529 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.170 2.122 5.094 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.808 0.289 7.055 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.187 1.303 5.616 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.511 0.388 6.596 1.00 0.00 C ATOM 1623 OH TYR A 104 0.536 -0.429 7.119 1.00 0.00 O ATOM 0 H TYR A 104 6.550 4.127 4.126 1.00 0.00 H new ATOM 0 HA TYR A 104 6.278 1.897 5.716 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.703 3.788 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.210 3.341 4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.798 1.034 6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.913 2.837 4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.059 -0.429 7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.171 1.379 5.259 1.00 0.00 H new ATOM 0 HH TYR A 104 0.756 -0.647 8.049 1.00 0.00 H new ATOM 1633 N LEU A 105 5.525 1.265 2.563 1.00 0.00 N ATOM 1634 CA LEU A 105 5.332 0.188 1.597 1.00 0.00 C ATOM 1635 C LEU A 105 6.457 -0.838 1.694 1.00 0.00 C ATOM 1636 O LEU A 105 6.215 -2.016 1.960 1.00 0.00 O ATOM 1637 CB LEU A 105 5.265 0.756 0.178 1.00 0.00 C ATOM 1638 CG LEU A 105 3.895 1.255 -0.281 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.035 2.159 -1.496 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.976 0.081 -0.590 1.00 0.00 C ATOM 0 H LEU A 105 5.508 2.202 2.159 1.00 0.00 H new ATOM 0 HA LEU A 105 4.390 -0.310 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.973 1.581 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.600 -0.014 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 105 3.451 1.835 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.049 2.504 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.656 3.018 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.500 1.604 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.005 0.455 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.415 -0.526 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.849 -0.527 0.306 1.00 0.00 H new ATOM 1652 N TYR A 106 7.686 -0.384 1.478 1.00 0.00 N ATOM 1653 CA TYR A 106 8.848 -1.262 1.540 1.00 0.00 C ATOM 1654 C TYR A 106 8.693 -2.291 2.656 1.00 0.00 C ATOM 1655 O TYR A 106 9.169 -3.421 2.543 1.00 0.00 O ATOM 1656 CB TYR A 106 10.121 -0.444 1.759 1.00 0.00 C ATOM 1657 CG TYR A 106 10.699 0.130 0.485 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.961 -0.684 -0.610 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.982 1.486 0.376 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.490 -0.165 -1.776 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.509 2.014 -0.787 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.762 1.185 -1.860 1.00 0.00 C ATOM 1663 OH TYR A 106 12.287 1.707 -3.020 1.00 0.00 O ATOM 0 H TYR A 106 7.904 0.588 1.258 1.00 0.00 H new ATOM 0 HA TYR A 106 8.923 -1.791 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.905 0.371 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.871 -1.075 2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.747 -1.741 -0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.787 2.138 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.690 -0.812 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.722 3.071 -0.856 1.00 0.00 H new ATOM 0 HH TYR A 106 12.418 2.672 -2.914 1.00 0.00 H new ATOM 1673 N GLN A 107 8.024 -1.891 3.732 1.00 0.00 N ATOM 1674 CA GLN A 107 7.806 -2.778 4.869 1.00 0.00 C ATOM 1675 C GLN A 107 6.850 -3.908 4.502 1.00 0.00 C ATOM 1676 O GLN A 107 7.086 -5.068 4.841 1.00 0.00 O ATOM 1677 CB GLN A 107 7.252 -1.991 6.058 1.00 0.00 C ATOM 1678 CG GLN A 107 8.085 -0.773 6.423 1.00 0.00 C ATOM 1679 CD GLN A 107 9.271 -1.119 7.302 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.672 -2.279 7.394 1.00 0.00 O ATOM 1681 NE2 GLN A 107 9.838 -0.111 7.955 1.00 0.00 N ATOM 0 H GLN A 107 7.624 -0.959 3.841 1.00 0.00 H new ATOM 0 HA GLN A 107 8.766 -3.214 5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.236 -1.670 5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.191 -2.651 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.441 -0.295 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.455 -0.048 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.472 0.835 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.639 -0.283 8.562 1.00 0.00 H new ATOM 1690 N ILE A 108 5.771 -3.562 3.809 1.00 0.00 N ATOM 1691 CA ILE A 108 4.780 -4.548 3.396 1.00 0.00 C ATOM 1692 C ILE A 108 5.350 -5.493 2.343 1.00 0.00 C ATOM 1693 O ILE A 108 5.316 -6.713 2.506 1.00 0.00 O ATOM 1694 CB ILE A 108 3.515 -3.874 2.833 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.740 -3.177 3.954 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.636 -4.898 2.132 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.160 -1.741 4.176 1.00 0.00 C ATOM 0 H ILE A 108 5.560 -2.606 3.522 1.00 0.00 H new ATOM 0 HA ILE A 108 4.513 -5.118 4.286 1.00 0.00 H new ATOM 0 HB ILE A 108 3.816 -3.123 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.676 -3.204 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.877 -3.735 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.746 -4.406 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.191 -5.353 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.340 -5.670 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.569 -1.310 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.217 -1.708 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.997 -1.169 3.263 1.00 0.00 H new ATOM 1709 N ARG A 109 5.875 -4.921 1.265 1.00 0.00 N ATOM 1710 CA ARG A 109 6.454 -5.711 0.185 1.00 0.00 C ATOM 1711 C ARG A 109 7.538 -6.645 0.716 1.00 0.00 C ATOM 1712 O ARG A 109 7.636 -7.799 0.299 1.00 0.00 O ATOM 1713 CB ARG A 109 7.038 -4.794 -0.891 1.00 0.00 C ATOM 1714 CG ARG A 109 8.022 -5.491 -1.816 1.00 0.00 C ATOM 1715 CD ARG A 109 8.772 -4.493 -2.684 1.00 0.00 C ATOM 1716 NE ARG A 109 10.113 -4.963 -3.024 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.095 -5.086 -2.138 1.00 0.00 C ATOM 1718 NH1 ARG A 109 10.887 -4.776 -0.866 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.288 -5.520 -2.524 1.00 0.00 N ATOM 0 H ARG A 109 5.911 -3.913 1.116 1.00 0.00 H new ATOM 0 HA ARG A 109 5.661 -6.315 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.223 -4.381 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.538 -3.954 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.733 -6.067 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.488 -6.198 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.208 -4.313 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.844 -3.539 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 109 10.306 -5.210 -3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.971 -4.442 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.643 -4.871 -0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.452 -5.760 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.041 -5.614 -1.843 1.00 0.00 H new ATOM 1733 N ALA A 110 8.350 -6.137 1.638 1.00 0.00 N ATOM 1734 CA ALA A 110 9.425 -6.926 2.226 1.00 0.00 C ATOM 1735 C ALA A 110 8.870 -8.051 3.093 1.00 0.00 C ATOM 1736 O ALA A 110 9.358 -9.180 3.050 1.00 0.00 O ATOM 1737 CB ALA A 110 10.348 -6.033 3.043 1.00 0.00 C ATOM 0 H ALA A 110 8.283 -5.183 1.993 1.00 0.00 H new ATOM 0 HA ALA A 110 9.997 -7.377 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.147 -6.635 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.780 -5.268 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.780 -5.555 3.841 1.00 0.00 H new ATOM 1743 N HIS A 111 7.847 -7.735 3.881 1.00 0.00 N ATOM 1744 CA HIS A 111 7.226 -8.719 4.759 1.00 0.00 C ATOM 1745 C HIS A 111 6.862 -9.984 3.986 1.00 0.00 C ATOM 1746 O HIS A 111 7.072 -11.098 4.465 1.00 0.00 O ATOM 1747 CB HIS A 111 5.976 -8.132 5.415 1.00 0.00 C ATOM 1748 CG HIS A 111 5.467 -8.942 6.568 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.796 -8.673 7.880 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.648 -10.019 6.600 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.202 -9.550 8.669 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.499 -10.378 7.917 1.00 0.00 N ATOM 0 H HIS A 111 7.431 -6.805 3.929 1.00 0.00 H new ATOM 0 HA HIS A 111 7.945 -8.982 5.535 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.197 -7.122 5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.189 -8.047 4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.196 -10.505 5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.278 -9.584 9.746 1.00 0.00 H new ATOM 0 HE2 HIS A 111 3.937 -11.157 8.259 1.00 0.00 H new ATOM 1761 N PHE A 112 6.316 -9.803 2.789 1.00 0.00 N ATOM 1762 CA PHE A 112 5.922 -10.929 1.950 1.00 0.00 C ATOM 1763 C PHE A 112 7.102 -11.431 1.123 1.00 0.00 C ATOM 1764 O PHE A 112 7.555 -12.563 1.291 1.00 0.00 O ATOM 1765 CB PHE A 112 4.771 -10.526 1.025 1.00 0.00 C ATOM 1766 CG PHE A 112 3.467 -10.326 1.743 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.736 -11.413 2.194 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.972 -9.052 1.967 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.535 -11.234 2.855 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.772 -8.865 2.628 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.053 -9.958 3.071 1.00 0.00 C ATOM 0 H PHE A 112 6.136 -8.887 2.377 1.00 0.00 H new ATOM 0 HA PHE A 112 5.589 -11.736 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.037 -9.604 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.643 -11.294 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.109 -12.413 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.530 -8.194 1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.975 -12.090 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.398 -7.866 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.115 -9.815 3.586 1.00 0.00 H new