USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 156:sc= -3.42! USER MOD Set 1.2: A 97 THR OG1 : rot 44:sc= -0.0891 USER MOD Set 2.1: A 65 GLN : amide:sc= 0.397 K(o=0.74,f=-0.22) USER MOD Set 2.2: A 79 TYR OH : rot 30:sc= 0.343 USER MOD Set 3.1: A 57 CYS SG : rot 66:sc= -0.316 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -3.47! C(o=-3.8!,f=-6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.645 K(o=-0.64,f=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-4.9!) USER MOD Single : A 38 SER OG : rot 96:sc= 0.0384 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.457 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 90:sc= 0.255 USER MOD Single : A 69 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 72 SER OG : rot 180:sc= 0.192 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 130:sc= -1.24 USER MOD Single : A 90 GLN : amide:sc= -0.0327 K(o=-0.033,f=-0.83) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.769) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.618 6.432 -3.105 1.00 51.41 N ATOM 64 CA ARG A 7 7.874 6.038 -2.481 1.00 20.12 C ATOM 65 C ARG A 7 8.300 4.649 -2.947 1.00 21.32 C ATOM 66 O ARG A 7 9.471 4.416 -3.252 1.00 12.20 O ATOM 67 CB ARG A 7 7.740 6.057 -0.957 1.00 42.52 C ATOM 68 CG ARG A 7 7.672 7.458 -0.369 1.00 20.42 C ATOM 69 CD ARG A 7 9.060 8.020 -0.106 1.00 71.41 C ATOM 70 NE ARG A 7 9.319 9.226 -0.887 1.00 51.52 N ATOM 71 CZ ARG A 7 8.898 10.435 -0.532 1.00 42.45 C ATOM 72 NH1 ARG A 7 8.203 10.598 0.585 1.00 14.50 N ATOM 73 NH2 ARG A 7 9.174 11.485 -1.295 1.00 52.40 N ATOM 0 HA ARG A 7 8.639 6.754 -2.780 1.00 20.12 H new ATOM 0 HB2 ARG A 7 6.842 5.509 -0.673 1.00 42.52 H new ATOM 0 HB3 ARG A 7 8.587 5.529 -0.520 1.00 42.52 H new ATOM 0 HG2 ARG A 7 7.136 8.115 -1.054 1.00 20.42 H new ATOM 0 HG3 ARG A 7 7.105 7.436 0.562 1.00 20.42 H new ATOM 0 HD2 ARG A 7 9.164 8.246 0.955 1.00 71.41 H new ATOM 0 HD3 ARG A 7 9.808 7.265 -0.346 1.00 71.41 H new ATOM 0 HE ARG A 7 9.852 9.135 -1.752 1.00 51.52 H new ATOM 0 HH11 ARG A 7 7.990 9.794 1.175 1.00 14.50 H new ATOM 0 HH12 ARG A 7 7.881 11.528 0.854 1.00 14.50 H new ATOM 0 HH21 ARG A 7 9.710 11.364 -2.155 1.00 52.40 H new ATOM 0 HH22 ARG A 7 8.850 12.413 -1.022 1.00 52.40 H new ATOM 87 N LEU A 8 7.343 3.729 -2.998 1.00 3.13 N ATOM 88 CA LEU A 8 7.618 2.361 -3.426 1.00 43.25 C ATOM 89 C LEU A 8 8.000 2.319 -4.902 1.00 13.30 C ATOM 90 O LEU A 8 7.338 2.929 -5.743 1.00 34.22 O ATOM 91 CB LEU A 8 6.399 1.473 -3.177 1.00 71.21 C ATOM 92 CG LEU A 8 5.909 1.395 -1.731 1.00 14.05 C ATOM 93 CD1 LEU A 8 4.778 0.387 -1.604 1.00 73.31 C ATOM 94 CD2 LEU A 8 7.055 1.033 -0.798 1.00 31.01 C ATOM 0 H LEU A 8 6.370 3.905 -2.748 1.00 3.13 H new ATOM 0 HA LEU A 8 8.458 1.985 -2.842 1.00 43.25 H new ATOM 0 HB2 LEU A 8 5.579 1.833 -3.798 1.00 71.21 H new ATOM 0 HB3 LEU A 8 6.635 0.464 -3.514 1.00 71.21 H new ATOM 0 HG LEU A 8 5.529 2.375 -1.444 1.00 14.05 H new ATOM 0 HD11 LEU A 8 4.442 0.345 -0.568 1.00 73.31 H new ATOM 0 HD12 LEU A 8 3.948 0.689 -2.242 1.00 73.31 H new ATOM 0 HD13 LEU A 8 5.132 -0.597 -1.911 1.00 73.31 H new ATOM 0 HD21 LEU A 8 6.688 0.982 0.227 1.00 31.01 H new ATOM 0 HD22 LEU A 8 7.466 0.065 -1.085 1.00 31.01 H new ATOM 0 HD23 LEU A 8 7.834 1.792 -0.867 1.00 31.01 H new ATOM 106 N SER A 9 9.071 1.595 -5.212 1.00 11.44 N ATOM 107 CA SER A 9 9.541 1.475 -6.586 1.00 44.22 C ATOM 108 C SER A 9 9.338 0.056 -7.107 1.00 65.32 C ATOM 109 O SER A 9 8.761 -0.790 -6.427 1.00 21.51 O ATOM 110 CB SER A 9 11.020 1.857 -6.677 1.00 0.12 C ATOM 111 OG SER A 9 11.251 2.751 -7.751 1.00 45.31 O ATOM 0 H SER A 9 9.629 1.083 -4.529 1.00 11.44 H new ATOM 0 HA SER A 9 8.958 2.158 -7.204 1.00 44.22 H new ATOM 0 HB2 SER A 9 11.338 2.318 -5.742 1.00 0.12 H new ATOM 0 HB3 SER A 9 11.623 0.959 -6.811 1.00 0.12 H new ATOM 0 HG SER A 9 12.203 2.981 -7.786 1.00 45.31 H new ATOM 117 N GLY A 10 9.818 -0.196 -8.322 1.00 10.23 N ATOM 118 CA GLY A 10 9.679 -1.513 -8.916 1.00 0.22 C ATOM 119 C GLY A 10 10.042 -2.625 -7.951 1.00 40.50 C ATOM 120 O GLY A 10 9.363 -3.649 -7.890 1.00 24.20 O ATOM 0 H GLY A 10 10.300 0.488 -8.905 1.00 10.23 H new ATOM 0 HA2 GLY A 10 8.652 -1.650 -9.253 1.00 0.22 H new ATOM 0 HA3 GLY A 10 10.316 -1.579 -9.798 1.00 0.22 H new ATOM 124 N GLY A 11 11.117 -2.423 -7.196 1.00 24.52 N ATOM 125 CA GLY A 11 11.551 -3.427 -6.241 1.00 4.12 C ATOM 126 C GLY A 11 10.487 -3.744 -5.209 1.00 62.03 C ATOM 127 O GLY A 11 10.094 -4.899 -5.049 1.00 52.35 O ATOM 0 H GLY A 11 11.695 -1.583 -7.228 1.00 24.52 H new ATOM 0 HA2 GLY A 11 11.819 -4.339 -6.774 1.00 4.12 H new ATOM 0 HA3 GLY A 11 12.451 -3.078 -5.735 1.00 4.12 H new ATOM 131 N GLU A 12 10.023 -2.716 -4.506 1.00 15.13 N ATOM 132 CA GLU A 12 8.999 -2.893 -3.481 1.00 65.21 C ATOM 133 C GLU A 12 7.670 -3.306 -4.106 1.00 73.05 C ATOM 134 O GLU A 12 6.845 -3.958 -3.465 1.00 60.30 O ATOM 135 CB GLU A 12 8.819 -1.602 -2.680 1.00 45.33 C ATOM 136 CG GLU A 12 8.947 -1.795 -1.179 1.00 14.10 C ATOM 137 CD GLU A 12 7.645 -2.232 -0.534 1.00 63.41 C ATOM 138 OE1 GLU A 12 6.676 -2.497 -1.275 1.00 72.01 O ATOM 139 OE2 GLU A 12 7.597 -2.310 0.711 1.00 2.32 O ATOM 0 H GLU A 12 10.339 -1.754 -4.626 1.00 15.13 H new ATOM 0 HA GLU A 12 9.327 -3.686 -2.809 1.00 65.21 H new ATOM 0 HB2 GLU A 12 9.561 -0.874 -3.009 1.00 45.33 H new ATOM 0 HB3 GLU A 12 7.838 -1.181 -2.901 1.00 45.33 H new ATOM 0 HG2 GLU A 12 9.717 -2.540 -0.976 1.00 14.10 H new ATOM 0 HG3 GLU A 12 9.279 -0.862 -0.723 1.00 14.10 H new ATOM 146 N LEU A 13 7.468 -2.922 -5.362 1.00 4.32 N ATOM 147 CA LEU A 13 6.239 -3.251 -6.075 1.00 11.23 C ATOM 148 C LEU A 13 6.082 -4.761 -6.220 1.00 54.22 C ATOM 149 O LEU A 13 4.966 -5.274 -6.302 1.00 72.21 O ATOM 150 CB LEU A 13 6.235 -2.591 -7.455 1.00 72.41 C ATOM 151 CG LEU A 13 4.906 -2.626 -8.212 1.00 71.52 C ATOM 152 CD1 LEU A 13 3.918 -1.646 -7.601 1.00 74.24 C ATOM 153 CD2 LEU A 13 5.124 -2.318 -9.686 1.00 74.53 C ATOM 0 H LEU A 13 8.140 -2.382 -5.908 1.00 4.32 H new ATOM 0 HA LEU A 13 5.398 -2.871 -5.495 1.00 11.23 H new ATOM 0 HB2 LEU A 13 6.537 -1.550 -7.339 1.00 72.41 H new ATOM 0 HB3 LEU A 13 6.993 -3.076 -8.070 1.00 72.41 H new ATOM 0 HG LEU A 13 4.489 -3.630 -8.129 1.00 71.52 H new ATOM 0 HD11 LEU A 13 2.979 -1.685 -8.153 1.00 74.24 H new ATOM 0 HD12 LEU A 13 3.738 -1.912 -6.559 1.00 74.24 H new ATOM 0 HD13 LEU A 13 4.327 -0.637 -7.652 1.00 74.24 H new ATOM 0 HD21 LEU A 13 4.168 -2.347 -10.209 1.00 74.53 H new ATOM 0 HD22 LEU A 13 5.564 -1.326 -9.789 1.00 74.53 H new ATOM 0 HD23 LEU A 13 5.796 -3.060 -10.117 1.00 74.53 H new ATOM 165 N ASP A 14 7.206 -5.468 -6.250 1.00 43.03 N ATOM 166 CA ASP A 14 7.194 -6.920 -6.382 1.00 54.44 C ATOM 167 C ASP A 14 6.448 -7.565 -5.218 1.00 32.41 C ATOM 168 O ASP A 14 5.673 -8.503 -5.407 1.00 0.11 O ATOM 169 CB ASP A 14 8.623 -7.460 -6.451 1.00 31.11 C ATOM 170 CG ASP A 14 8.815 -8.449 -7.583 1.00 63.34 C ATOM 171 OD1 ASP A 14 9.136 -8.009 -8.708 1.00 32.12 O ATOM 172 OD2 ASP A 14 8.646 -9.663 -7.346 1.00 12.12 O ATOM 0 H ASP A 14 8.138 -5.059 -6.185 1.00 43.03 H new ATOM 0 HA ASP A 14 6.675 -7.172 -7.307 1.00 54.44 H new ATOM 0 HB2 ASP A 14 9.317 -6.629 -6.577 1.00 31.11 H new ATOM 0 HB3 ASP A 14 8.872 -7.942 -5.506 1.00 31.11 H new ATOM 177 N LYS A 15 6.688 -7.057 -4.014 1.00 3.31 N ATOM 178 CA LYS A 15 6.040 -7.582 -2.818 1.00 64.43 C ATOM 179 C LYS A 15 4.608 -7.069 -2.706 1.00 20.40 C ATOM 180 O LYS A 15 3.700 -7.811 -2.330 1.00 25.33 O ATOM 181 CB LYS A 15 6.833 -7.190 -1.569 1.00 64.34 C ATOM 182 CG LYS A 15 7.638 -8.333 -0.976 1.00 34.22 C ATOM 183 CD LYS A 15 8.443 -7.881 0.230 1.00 31.04 C ATOM 184 CE LYS A 15 9.841 -7.435 -0.168 1.00 31.45 C ATOM 185 NZ LYS A 15 10.248 -6.189 0.538 1.00 31.11 N ATOM 0 H LYS A 15 7.327 -6.281 -3.841 1.00 3.31 H new ATOM 0 HA LYS A 15 6.013 -8.669 -2.897 1.00 64.43 H new ATOM 0 HB2 LYS A 15 7.509 -6.373 -1.820 1.00 64.34 H new ATOM 0 HB3 LYS A 15 6.143 -6.813 -0.814 1.00 64.34 H new ATOM 0 HG2 LYS A 15 6.966 -9.140 -0.684 1.00 34.22 H new ATOM 0 HG3 LYS A 15 8.310 -8.737 -1.733 1.00 34.22 H new ATOM 0 HD2 LYS A 15 7.926 -7.060 0.727 1.00 31.04 H new ATOM 0 HD3 LYS A 15 8.511 -8.697 0.950 1.00 31.04 H new ATOM 0 HE2 LYS A 15 10.553 -8.229 0.057 1.00 31.45 H new ATOM 0 HE3 LYS A 15 9.877 -7.270 -1.245 1.00 31.45 H new ATOM 0 HZ1 LYS A 15 11.207 -5.918 0.239 1.00 31.11 H new ATOM 0 HZ2 LYS A 15 9.583 -5.424 0.304 1.00 31.11 H new ATOM 0 HZ3 LYS A 15 10.239 -6.353 1.565 1.00 31.11 H new ATOM 199 N TRP A 16 4.413 -5.798 -3.035 1.00 73.13 N ATOM 200 CA TRP A 16 3.090 -5.187 -2.973 1.00 12.44 C ATOM 201 C TRP A 16 2.102 -5.934 -3.862 1.00 31.43 C ATOM 202 O TRP A 16 0.940 -6.115 -3.498 1.00 22.45 O ATOM 203 CB TRP A 16 3.163 -3.718 -3.393 1.00 43.31 C ATOM 204 CG TRP A 16 1.817 -3.075 -3.542 1.00 23.02 C ATOM 205 CD1 TRP A 16 1.303 -2.504 -4.671 1.00 4.13 C ATOM 206 CD2 TRP A 16 0.817 -2.936 -2.528 1.00 74.33 C ATOM 207 NE1 TRP A 16 0.042 -2.018 -4.419 1.00 5.42 N ATOM 208 CE2 TRP A 16 -0.280 -2.272 -3.112 1.00 25.11 C ATOM 209 CE3 TRP A 16 0.738 -3.311 -1.184 1.00 63.34 C ATOM 210 CZ2 TRP A 16 -1.437 -1.975 -2.397 1.00 44.42 C ATOM 211 CZ3 TRP A 16 -0.411 -3.015 -0.476 1.00 13.42 C ATOM 212 CH2 TRP A 16 -1.486 -2.353 -1.083 1.00 53.40 C ATOM 0 H TRP A 16 5.154 -5.170 -3.347 1.00 73.13 H new ATOM 0 HA TRP A 16 2.739 -5.246 -1.943 1.00 12.44 H new ATOM 0 HB2 TRP A 16 3.742 -3.165 -2.654 1.00 43.31 H new ATOM 0 HB3 TRP A 16 3.700 -3.644 -4.339 1.00 43.31 H new ATOM 0 HD1 TRP A 16 1.812 -2.443 -5.622 1.00 4.13 H new ATOM 0 HE1 TRP A 16 -0.557 -1.545 -5.096 1.00 5.42 H new ATOM 0 HE3 TRP A 16 1.561 -3.823 -0.707 1.00 63.34 H new ATOM 0 HZ2 TRP A 16 -2.267 -1.464 -2.863 1.00 44.42 H new ATOM 0 HZ3 TRP A 16 -0.482 -3.299 0.564 1.00 13.42 H new ATOM 0 HH2 TRP A 16 -2.371 -2.137 -0.502 1.00 53.40 H new ATOM 223 N GLU A 17 2.571 -6.366 -5.028 1.00 24.45 N ATOM 224 CA GLU A 17 1.728 -7.094 -5.968 1.00 11.42 C ATOM 225 C GLU A 17 1.697 -8.582 -5.634 1.00 25.22 C ATOM 226 O GLU A 17 0.919 -9.343 -6.206 1.00 72.53 O ATOM 227 CB GLU A 17 2.228 -6.891 -7.400 1.00 3.21 C ATOM 228 CG GLU A 17 2.023 -5.480 -7.923 1.00 11.44 C ATOM 229 CD GLU A 17 1.911 -5.427 -9.434 1.00 35.31 C ATOM 230 OE1 GLU A 17 1.555 -6.461 -10.037 1.00 73.24 O ATOM 231 OE2 GLU A 17 2.179 -4.354 -10.013 1.00 24.42 O ATOM 0 H GLU A 17 3.530 -6.224 -5.344 1.00 24.45 H new ATOM 0 HA GLU A 17 0.715 -6.701 -5.886 1.00 11.42 H new ATOM 0 HB2 GLU A 17 3.290 -7.134 -7.443 1.00 3.21 H new ATOM 0 HB3 GLU A 17 1.714 -7.591 -8.058 1.00 3.21 H new ATOM 0 HG2 GLU A 17 1.119 -5.061 -7.481 1.00 11.44 H new ATOM 0 HG3 GLU A 17 2.855 -4.853 -7.602 1.00 11.44 H new ATOM 238 N LYS A 18 2.553 -8.990 -4.703 1.00 21.35 N ATOM 239 CA LYS A 18 2.626 -10.386 -4.290 1.00 24.33 C ATOM 240 C LYS A 18 1.490 -10.731 -3.333 1.00 23.12 C ATOM 241 O LYS A 18 1.168 -11.903 -3.132 1.00 65.51 O ATOM 242 CB LYS A 18 3.974 -10.673 -3.623 1.00 10.33 C ATOM 243 CG LYS A 18 4.695 -11.878 -4.201 1.00 11.45 C ATOM 244 CD LYS A 18 5.219 -12.793 -3.106 1.00 55.51 C ATOM 245 CE LYS A 18 5.898 -14.024 -3.686 1.00 14.04 C ATOM 246 NZ LYS A 18 5.082 -15.253 -3.484 1.00 62.32 N ATOM 0 H LYS A 18 3.206 -8.373 -4.220 1.00 21.35 H new ATOM 0 HA LYS A 18 2.529 -11.007 -5.180 1.00 24.33 H new ATOM 0 HB2 LYS A 18 4.613 -9.796 -3.723 1.00 10.33 H new ATOM 0 HB3 LYS A 18 3.815 -10.832 -2.556 1.00 10.33 H new ATOM 0 HG2 LYS A 18 4.016 -12.434 -4.847 1.00 11.45 H new ATOM 0 HG3 LYS A 18 5.524 -11.543 -4.824 1.00 11.45 H new ATOM 0 HD2 LYS A 18 5.926 -12.247 -2.481 1.00 55.51 H new ATOM 0 HD3 LYS A 18 4.395 -13.100 -2.462 1.00 55.51 H new ATOM 0 HE2 LYS A 18 6.072 -13.875 -4.752 1.00 14.04 H new ATOM 0 HE3 LYS A 18 6.874 -14.155 -3.219 1.00 14.04 H new ATOM 0 HZ1 LYS A 18 5.578 -16.070 -3.893 1.00 62.32 H new ATOM 0 HZ2 LYS A 18 4.937 -15.410 -2.466 1.00 62.32 H new ATOM 0 HZ3 LYS A 18 4.160 -15.138 -3.952 1.00 62.32 H new ATOM 260 N ILE A 19 0.886 -9.704 -2.745 1.00 73.43 N ATOM 261 CA ILE A 19 -0.216 -9.900 -1.811 1.00 52.44 C ATOM 262 C ILE A 19 -1.561 -9.849 -2.529 1.00 2.20 C ATOM 263 O ILE A 19 -1.780 -9.005 -3.399 1.00 42.00 O ATOM 264 CB ILE A 19 -0.203 -8.840 -0.694 1.00 23.01 C ATOM 265 CG1 ILE A 19 1.134 -8.868 0.049 1.00 2.42 C ATOM 266 CG2 ILE A 19 -1.356 -9.071 0.270 1.00 1.22 C ATOM 267 CD1 ILE A 19 1.815 -7.519 0.119 1.00 33.23 C ATOM 0 H ILE A 19 1.141 -8.728 -2.899 1.00 73.43 H new ATOM 0 HA ILE A 19 -0.081 -10.886 -1.366 1.00 52.44 H new ATOM 0 HB ILE A 19 -0.326 -7.856 -1.146 1.00 23.01 H new ATOM 0 HG12 ILE A 19 0.970 -9.236 1.062 1.00 2.42 H new ATOM 0 HG13 ILE A 19 1.800 -9.577 -0.444 1.00 2.42 H new ATOM 0 HG21 ILE A 19 -1.333 -8.314 1.053 1.00 1.22 H new ATOM 0 HG22 ILE A 19 -2.301 -9.005 -0.270 1.00 1.22 H new ATOM 0 HG23 ILE A 19 -1.263 -10.060 0.719 1.00 1.22 H new ATOM 0 HD11 ILE A 19 2.757 -7.614 0.660 1.00 33.23 H new ATOM 0 HD12 ILE A 19 2.011 -7.158 -0.890 1.00 33.23 H new ATOM 0 HD13 ILE A 19 1.169 -6.812 0.639 1.00 33.23 H new ATOM 279 N ARG A 20 -2.459 -10.755 -2.158 1.00 32.23 N ATOM 280 CA ARG A 20 -3.782 -10.813 -2.766 1.00 35.34 C ATOM 281 C ARG A 20 -4.830 -10.191 -1.847 1.00 34.35 C ATOM 282 O ARG A 20 -4.605 -10.035 -0.646 1.00 4.02 O ATOM 283 CB ARG A 20 -4.160 -12.262 -3.080 1.00 4.23 C ATOM 284 CG ARG A 20 -3.736 -13.249 -2.004 1.00 60.03 C ATOM 285 CD ARG A 20 -2.385 -13.869 -2.320 1.00 64.32 C ATOM 286 NE ARG A 20 -2.479 -15.312 -2.526 1.00 40.03 N ATOM 287 CZ ARG A 20 -1.454 -16.070 -2.899 1.00 32.14 C ATOM 288 NH1 ARG A 20 -0.263 -15.525 -3.104 1.00 34.32 N ATOM 289 NH2 ARG A 20 -1.619 -17.376 -3.067 1.00 35.33 N ATOM 0 H ARG A 20 -2.294 -11.459 -1.439 1.00 32.23 H new ATOM 0 HA ARG A 20 -3.753 -10.243 -3.695 1.00 35.34 H new ATOM 0 HB2 ARG A 20 -5.240 -12.326 -3.215 1.00 4.23 H new ATOM 0 HB3 ARG A 20 -3.703 -12.551 -4.027 1.00 4.23 H new ATOM 0 HG2 ARG A 20 -3.688 -12.741 -1.041 1.00 60.03 H new ATOM 0 HG3 ARG A 20 -4.486 -14.035 -1.913 1.00 60.03 H new ATOM 0 HD2 ARG A 20 -1.972 -13.402 -3.214 1.00 64.32 H new ATOM 0 HD3 ARG A 20 -1.692 -13.664 -1.504 1.00 64.32 H new ATOM 0 HE ARG A 20 -3.382 -15.762 -2.375 1.00 40.03 H new ATOM 0 HH11 ARG A 20 -0.132 -14.522 -2.975 1.00 34.32 H new ATOM 0 HH12 ARG A 20 0.523 -16.109 -3.390 1.00 34.32 H new ATOM 0 HH21 ARG A 20 -2.534 -17.799 -2.910 1.00 35.33 H new ATOM 0 HH22 ARG A 20 -0.831 -17.957 -3.353 1.00 35.33 H new ATOM 303 N LEU A 21 -5.976 -9.838 -2.419 1.00 55.21 N ATOM 304 CA LEU A 21 -7.059 -9.233 -1.652 1.00 41.54 C ATOM 305 C LEU A 21 -7.860 -10.296 -0.908 1.00 33.13 C ATOM 306 O LEU A 21 -8.295 -10.080 0.224 1.00 32.30 O ATOM 307 CB LEU A 21 -7.983 -8.437 -2.576 1.00 43.32 C ATOM 308 CG LEU A 21 -7.293 -7.530 -3.596 1.00 5.21 C ATOM 309 CD1 LEU A 21 -8.232 -7.211 -4.748 1.00 64.23 C ATOM 310 CD2 LEU A 21 -6.808 -6.251 -2.930 1.00 42.31 C ATOM 0 H LEU A 21 -6.179 -9.960 -3.411 1.00 55.21 H new ATOM 0 HA LEU A 21 -6.618 -8.557 -0.919 1.00 41.54 H new ATOM 0 HB2 LEU A 21 -8.618 -9.140 -3.116 1.00 43.32 H new ATOM 0 HB3 LEU A 21 -8.640 -7.823 -1.959 1.00 43.32 H new ATOM 0 HG LEU A 21 -6.427 -8.058 -3.996 1.00 5.21 H new ATOM 0 HD11 LEU A 21 -7.724 -6.565 -5.464 1.00 64.23 H new ATOM 0 HD12 LEU A 21 -8.529 -8.136 -5.242 1.00 64.23 H new ATOM 0 HD13 LEU A 21 -9.117 -6.703 -4.366 1.00 64.23 H new ATOM 0 HD21 LEU A 21 -6.320 -5.618 -3.671 1.00 42.31 H new ATOM 0 HD22 LEU A 21 -7.658 -5.719 -2.501 1.00 42.31 H new ATOM 0 HD23 LEU A 21 -6.099 -6.498 -2.140 1.00 42.31 H new ATOM 322 N ARG A 22 -8.049 -11.444 -1.550 1.00 21.44 N ATOM 323 CA ARG A 22 -8.797 -12.542 -0.948 1.00 22.01 C ATOM 324 C ARG A 22 -7.875 -13.714 -0.625 1.00 72.30 C ATOM 325 O ARG A 22 -6.746 -13.800 -1.107 1.00 42.55 O ATOM 326 CB ARG A 22 -9.914 -13.000 -1.886 1.00 21.31 C ATOM 327 CG ARG A 22 -11.291 -12.498 -1.485 1.00 14.22 C ATOM 328 CD ARG A 22 -12.359 -13.554 -1.717 1.00 75.11 C ATOM 329 NE ARG A 22 -12.558 -13.830 -3.138 1.00 62.11 N ATOM 330 CZ ARG A 22 -13.258 -13.044 -3.948 1.00 63.22 C ATOM 331 NH1 ARG A 22 -13.824 -11.940 -3.481 1.00 23.02 N ATOM 332 NH2 ARG A 22 -13.393 -13.362 -5.229 1.00 63.01 N ATOM 0 H ARG A 22 -7.695 -11.638 -2.487 1.00 21.44 H new ATOM 0 HA ARG A 22 -9.238 -12.183 -0.018 1.00 22.01 H new ATOM 0 HB2 ARG A 22 -9.692 -12.657 -2.896 1.00 21.31 H new ATOM 0 HB3 ARG A 22 -9.928 -14.090 -1.915 1.00 21.31 H new ATOM 0 HG2 ARG A 22 -11.283 -12.212 -0.433 1.00 14.22 H new ATOM 0 HG3 ARG A 22 -11.533 -11.602 -2.057 1.00 14.22 H new ATOM 0 HD2 ARG A 22 -12.076 -14.474 -1.205 1.00 75.11 H new ATOM 0 HD3 ARG A 22 -13.299 -13.221 -1.277 1.00 75.11 H new ATOM 0 HE ARG A 22 -12.136 -14.672 -3.529 1.00 62.11 H new ATOM 0 HH11 ARG A 22 -13.723 -11.692 -2.497 1.00 23.02 H new ATOM 0 HH12 ARG A 22 -14.361 -11.339 -4.106 1.00 23.02 H new ATOM 0 HH21 ARG A 22 -12.959 -14.211 -5.592 1.00 63.01 H new ATOM 0 HH22 ARG A 22 -13.931 -12.758 -5.851 1.00 63.01 H new ATOM 346 N PRO A 23 -8.366 -14.641 0.211 1.00 14.05 N ATOM 347 CA PRO A 23 -7.604 -15.825 0.617 1.00 11.23 C ATOM 348 C PRO A 23 -7.419 -16.815 -0.527 1.00 63.41 C ATOM 349 O PRO A 23 -6.344 -17.389 -0.697 1.00 5.43 O ATOM 350 CB PRO A 23 -8.465 -16.440 1.723 1.00 73.11 C ATOM 351 CG PRO A 23 -9.849 -15.973 1.429 1.00 62.24 C ATOM 352 CD PRO A 23 -9.705 -14.603 0.825 1.00 60.43 C ATOM 0 HA PRO A 23 -6.594 -15.569 0.938 1.00 11.23 H new ATOM 0 HB2 PRO A 23 -8.404 -17.528 1.713 1.00 73.11 H new ATOM 0 HB3 PRO A 23 -8.137 -16.111 2.709 1.00 73.11 H new ATOM 0 HG2 PRO A 23 -10.352 -16.652 0.740 1.00 62.24 H new ATOM 0 HG3 PRO A 23 -10.450 -15.938 2.338 1.00 62.24 H new ATOM 0 HD2 PRO A 23 -10.481 -14.406 0.085 1.00 60.43 H new ATOM 0 HD3 PRO A 23 -9.779 -13.821 1.580 1.00 60.43 H new ATOM 360 N GLY A 24 -8.475 -17.012 -1.310 1.00 42.00 N ATOM 361 CA GLY A 24 -8.407 -17.934 -2.428 1.00 53.14 C ATOM 362 C GLY A 24 -8.929 -17.325 -3.715 1.00 23.03 C ATOM 363 O GLY A 24 -9.535 -18.012 -4.535 1.00 64.53 O ATOM 0 H GLY A 24 -9.376 -16.550 -1.190 1.00 42.00 H new ATOM 0 HA2 GLY A 24 -7.374 -18.250 -2.572 1.00 53.14 H new ATOM 0 HA3 GLY A 24 -8.984 -18.828 -2.193 1.00 53.14 H new ATOM 367 N GLY A 25 -8.695 -16.027 -3.891 1.00 33.32 N ATOM 368 CA GLY A 25 -9.154 -15.347 -5.088 1.00 21.24 C ATOM 369 C GLY A 25 -8.086 -15.277 -6.161 1.00 1.22 C ATOM 370 O GLY A 25 -7.058 -15.949 -6.070 1.00 14.42 O ATOM 0 H GLY A 25 -8.196 -15.435 -3.226 1.00 33.32 H new ATOM 0 HA2 GLY A 25 -10.028 -15.864 -5.483 1.00 21.24 H new ATOM 0 HA3 GLY A 25 -9.471 -14.337 -4.829 1.00 21.24 H new ATOM 374 N LYS A 26 -8.328 -14.462 -7.182 1.00 53.00 N ATOM 375 CA LYS A 26 -7.380 -14.306 -8.279 1.00 14.05 C ATOM 376 C LYS A 26 -6.922 -12.856 -8.399 1.00 24.20 C ATOM 377 O LYS A 26 -5.983 -12.550 -9.134 1.00 42.34 O ATOM 378 CB LYS A 26 -8.012 -14.763 -9.595 1.00 42.00 C ATOM 379 CG LYS A 26 -7.028 -15.427 -10.544 1.00 10.33 C ATOM 380 CD LYS A 26 -7.284 -16.920 -10.657 1.00 51.22 C ATOM 381 CE LYS A 26 -6.813 -17.466 -11.997 1.00 0.43 C ATOM 382 NZ LYS A 26 -7.875 -17.375 -13.037 1.00 35.30 N ATOM 0 H LYS A 26 -9.173 -13.899 -7.273 1.00 53.00 H new ATOM 0 HA LYS A 26 -6.510 -14.927 -8.066 1.00 14.05 H new ATOM 0 HB2 LYS A 26 -8.821 -15.460 -9.377 1.00 42.00 H new ATOM 0 HB3 LYS A 26 -8.459 -13.902 -10.092 1.00 42.00 H new ATOM 0 HG2 LYS A 26 -7.105 -14.968 -11.530 1.00 10.33 H new ATOM 0 HG3 LYS A 26 -6.010 -15.257 -10.192 1.00 10.33 H new ATOM 0 HD2 LYS A 26 -6.769 -17.441 -9.849 1.00 51.22 H new ATOM 0 HD3 LYS A 26 -8.349 -17.118 -10.536 1.00 51.22 H new ATOM 0 HE2 LYS A 26 -5.934 -16.912 -12.326 1.00 0.43 H new ATOM 0 HE3 LYS A 26 -6.509 -18.506 -11.879 1.00 0.43 H new ATOM 0 HZ1 LYS A 26 -7.515 -17.757 -13.935 1.00 35.30 H new ATOM 0 HZ2 LYS A 26 -8.705 -17.924 -12.735 1.00 35.30 H new ATOM 0 HZ3 LYS A 26 -8.148 -16.380 -13.168 1.00 35.30 H new ATOM 396 N LYS A 27 -7.589 -11.967 -7.671 1.00 54.43 N ATOM 397 CA LYS A 27 -7.250 -10.549 -7.694 1.00 43.30 C ATOM 398 C LYS A 27 -6.137 -10.240 -6.697 1.00 33.40 C ATOM 399 O LYS A 27 -6.025 -10.892 -5.659 1.00 62.30 O ATOM 400 CB LYS A 27 -8.485 -9.702 -7.376 1.00 24.53 C ATOM 401 CG LYS A 27 -9.243 -9.246 -8.610 1.00 13.02 C ATOM 402 CD LYS A 27 -9.156 -7.740 -8.793 1.00 24.03 C ATOM 403 CE LYS A 27 -9.304 -7.347 -10.255 1.00 3.45 C ATOM 404 NZ LYS A 27 -9.254 -5.871 -10.440 1.00 4.30 N ATOM 0 H LYS A 27 -8.368 -12.204 -7.057 1.00 54.43 H new ATOM 0 HA LYS A 27 -6.896 -10.302 -8.695 1.00 43.30 H new ATOM 0 HB2 LYS A 27 -9.157 -10.278 -6.740 1.00 24.53 H new ATOM 0 HB3 LYS A 27 -8.177 -8.826 -6.804 1.00 24.53 H new ATOM 0 HG2 LYS A 27 -8.839 -9.744 -9.491 1.00 13.02 H new ATOM 0 HG3 LYS A 27 -10.288 -9.544 -8.527 1.00 13.02 H new ATOM 0 HD2 LYS A 27 -9.935 -7.255 -8.204 1.00 24.03 H new ATOM 0 HD3 LYS A 27 -8.199 -7.381 -8.414 1.00 24.03 H new ATOM 0 HE2 LYS A 27 -8.510 -7.813 -10.839 1.00 3.45 H new ATOM 0 HE3 LYS A 27 -10.249 -7.729 -10.640 1.00 3.45 H new ATOM 0 HZ1 LYS A 27 -9.358 -5.644 -11.450 1.00 4.30 H new ATOM 0 HZ2 LYS A 27 -10.027 -5.428 -9.904 1.00 4.30 H new ATOM 0 HZ3 LYS A 27 -8.342 -5.509 -10.096 1.00 4.30 H new ATOM 418 N GLN A 28 -5.321 -9.242 -7.018 1.00 62.03 N ATOM 419 CA GLN A 28 -4.218 -8.847 -6.150 1.00 31.21 C ATOM 420 C GLN A 28 -4.166 -7.331 -5.991 1.00 22.44 C ATOM 421 O GLN A 28 -5.084 -6.622 -6.403 1.00 61.24 O ATOM 422 CB GLN A 28 -2.891 -9.360 -6.710 1.00 41.11 C ATOM 423 CG GLN A 28 -2.950 -10.799 -7.196 1.00 20.15 C ATOM 424 CD GLN A 28 -3.214 -10.902 -8.685 1.00 20.11 C ATOM 425 OE1 GLN A 28 -3.367 -9.891 -9.372 1.00 24.51 O ATOM 426 NE2 GLN A 28 -3.268 -12.128 -9.194 1.00 54.21 N ATOM 0 H GLN A 28 -5.403 -8.692 -7.873 1.00 62.03 H new ATOM 0 HA GLN A 28 -4.385 -9.291 -5.168 1.00 31.21 H new ATOM 0 HB2 GLN A 28 -2.583 -8.719 -7.536 1.00 41.11 H new ATOM 0 HB3 GLN A 28 -2.125 -9.277 -5.939 1.00 41.11 H new ATOM 0 HG2 GLN A 28 -2.008 -11.296 -6.963 1.00 20.15 H new ATOM 0 HG3 GLN A 28 -3.733 -11.329 -6.655 1.00 20.15 H new ATOM 0 HE21 GLN A 28 -3.136 -12.938 -8.588 1.00 54.21 H new ATOM 0 HE22 GLN A 28 -3.442 -12.259 -10.190 1.00 54.21 H new ATOM 435 N TYR A 29 -3.087 -6.842 -5.391 1.00 41.22 N ATOM 436 CA TYR A 29 -2.916 -5.410 -5.175 1.00 11.21 C ATOM 437 C TYR A 29 -2.098 -4.783 -6.300 1.00 65.32 C ATOM 438 O TYR A 29 -1.215 -5.423 -6.874 1.00 14.13 O ATOM 439 CB TYR A 29 -2.235 -5.153 -3.830 1.00 12.22 C ATOM 440 CG TYR A 29 -3.177 -5.225 -2.650 1.00 14.40 C ATOM 441 CD1 TYR A 29 -4.062 -4.188 -2.378 1.00 41.12 C ATOM 442 CD2 TYR A 29 -3.183 -6.329 -1.806 1.00 54.21 C ATOM 443 CE1 TYR A 29 -4.925 -4.249 -1.302 1.00 12.12 C ATOM 444 CE2 TYR A 29 -4.044 -6.399 -0.728 1.00 63.20 C ATOM 445 CZ TYR A 29 -4.913 -5.356 -0.479 1.00 64.53 C ATOM 446 OH TYR A 29 -5.770 -5.422 0.595 1.00 64.44 O ATOM 0 H TYR A 29 -2.318 -7.416 -5.046 1.00 41.22 H new ATOM 0 HA TYR A 29 -3.904 -4.949 -5.168 1.00 11.21 H new ATOM 0 HB2 TYR A 29 -1.437 -5.882 -3.692 1.00 12.22 H new ATOM 0 HB3 TYR A 29 -1.768 -4.169 -3.851 1.00 12.22 H new ATOM 0 HD1 TYR A 29 -4.075 -3.319 -3.020 1.00 41.12 H new ATOM 0 HD2 TYR A 29 -2.503 -7.146 -1.996 1.00 54.21 H new ATOM 0 HE1 TYR A 29 -5.606 -3.434 -1.106 1.00 12.12 H new ATOM 0 HE2 TYR A 29 -4.037 -7.265 -0.083 1.00 63.20 H new ATOM 0 HH TYR A 29 -5.923 -6.360 0.835 1.00 64.44 H new ATOM 456 N LYS A 30 -2.397 -3.527 -6.612 1.00 11.33 N ATOM 457 CA LYS A 30 -1.690 -2.810 -7.666 1.00 44.02 C ATOM 458 C LYS A 30 -1.607 -1.320 -7.350 1.00 70.22 C ATOM 459 O LYS A 30 -2.153 -0.856 -6.348 1.00 54.33 O ATOM 460 CB LYS A 30 -2.389 -3.019 -9.010 1.00 72.35 C ATOM 461 CG LYS A 30 -1.588 -3.860 -9.989 1.00 21.33 C ATOM 462 CD LYS A 30 -2.440 -4.313 -11.163 1.00 45.14 C ATOM 463 CE LYS A 30 -1.658 -5.219 -12.102 1.00 12.42 C ATOM 464 NZ LYS A 30 -1.175 -4.486 -13.306 1.00 71.51 N ATOM 0 H LYS A 30 -3.126 -2.984 -6.149 1.00 11.33 H new ATOM 0 HA LYS A 30 -0.677 -3.208 -7.725 1.00 44.02 H new ATOM 0 HB2 LYS A 30 -3.353 -3.497 -8.838 1.00 72.35 H new ATOM 0 HB3 LYS A 30 -2.591 -2.047 -9.460 1.00 72.35 H new ATOM 0 HG2 LYS A 30 -0.739 -3.283 -10.356 1.00 21.33 H new ATOM 0 HG3 LYS A 30 -1.183 -4.731 -9.475 1.00 21.33 H new ATOM 0 HD2 LYS A 30 -3.319 -4.842 -10.794 1.00 45.14 H new ATOM 0 HD3 LYS A 30 -2.799 -3.442 -11.711 1.00 45.14 H new ATOM 0 HE2 LYS A 30 -0.807 -5.645 -11.571 1.00 12.42 H new ATOM 0 HE3 LYS A 30 -2.289 -6.052 -12.413 1.00 12.42 H new ATOM 0 HZ1 LYS A 30 -0.647 -5.138 -13.921 1.00 71.51 H new ATOM 0 HZ2 LYS A 30 -1.988 -4.101 -13.827 1.00 71.51 H new ATOM 0 HZ3 LYS A 30 -0.552 -3.707 -13.011 1.00 71.51 H new ATOM 478 N LEU A 31 -0.923 -0.574 -8.211 1.00 32.24 N ATOM 479 CA LEU A 31 -0.770 0.864 -8.025 1.00 14.02 C ATOM 480 C LEU A 31 -2.127 1.536 -7.839 1.00 34.34 C ATOM 481 O LEU A 31 -2.249 2.526 -7.117 1.00 52.14 O ATOM 482 CB LEU A 31 -0.044 1.479 -9.222 1.00 23.04 C ATOM 483 CG LEU A 31 1.476 1.308 -9.245 1.00 31.25 C ATOM 484 CD1 LEU A 31 1.968 1.103 -10.669 1.00 24.35 C ATOM 485 CD2 LEU A 31 2.157 2.511 -8.611 1.00 44.41 C ATOM 0 H LEU A 31 -0.466 -0.942 -9.045 1.00 32.24 H new ATOM 0 HA LEU A 31 -0.177 1.028 -7.125 1.00 14.02 H new ATOM 0 HB2 LEU A 31 -0.453 1.042 -10.133 1.00 23.04 H new ATOM 0 HB3 LEU A 31 -0.270 2.545 -9.250 1.00 23.04 H new ATOM 0 HG LEU A 31 1.732 0.423 -8.663 1.00 31.25 H new ATOM 0 HD11 LEU A 31 3.051 0.983 -10.666 1.00 24.35 H new ATOM 0 HD12 LEU A 31 1.505 0.210 -11.089 1.00 24.35 H new ATOM 0 HD13 LEU A 31 1.700 1.969 -11.275 1.00 24.35 H new ATOM 0 HD21 LEU A 31 3.238 2.372 -8.636 1.00 44.41 H new ATOM 0 HD22 LEU A 31 1.894 3.412 -9.165 1.00 44.41 H new ATOM 0 HD23 LEU A 31 1.828 2.612 -7.577 1.00 44.41 H new ATOM 497 N LYS A 32 -3.147 0.990 -8.494 1.00 45.50 N ATOM 498 CA LYS A 32 -4.496 1.534 -8.399 1.00 20.20 C ATOM 499 C LYS A 32 -4.860 1.839 -6.950 1.00 3.35 C ATOM 500 O LYS A 32 -5.428 2.890 -6.650 1.00 64.31 O ATOM 501 CB LYS A 32 -5.507 0.549 -8.993 1.00 11.44 C ATOM 502 CG LYS A 32 -6.288 1.113 -10.166 1.00 50.25 C ATOM 503 CD LYS A 32 -7.695 0.542 -10.228 1.00 21.04 C ATOM 504 CE LYS A 32 -7.706 -0.847 -10.845 1.00 65.30 C ATOM 505 NZ LYS A 32 -8.740 -0.973 -11.909 1.00 11.21 N ATOM 0 H LYS A 32 -3.064 0.171 -9.096 1.00 45.50 H new ATOM 0 HA LYS A 32 -4.526 2.465 -8.966 1.00 20.20 H new ATOM 0 HB2 LYS A 32 -4.980 -0.349 -9.316 1.00 11.44 H new ATOM 0 HB3 LYS A 32 -6.206 0.245 -8.214 1.00 11.44 H new ATOM 0 HG2 LYS A 32 -6.339 2.199 -10.082 1.00 50.25 H new ATOM 0 HG3 LYS A 32 -5.763 0.890 -11.095 1.00 50.25 H new ATOM 0 HD2 LYS A 32 -8.116 0.498 -9.223 1.00 21.04 H new ATOM 0 HD3 LYS A 32 -8.333 1.206 -10.812 1.00 21.04 H new ATOM 0 HE2 LYS A 32 -6.724 -1.066 -11.265 1.00 65.30 H new ATOM 0 HE3 LYS A 32 -7.892 -1.588 -10.068 1.00 65.30 H new ATOM 0 HZ1 LYS A 32 -8.716 -1.934 -12.305 1.00 11.21 H new ATOM 0 HZ2 LYS A 32 -9.680 -0.789 -11.503 1.00 11.21 H new ATOM 0 HZ3 LYS A 32 -8.548 -0.283 -12.663 1.00 11.21 H new ATOM 519 N HIS A 33 -4.527 0.915 -6.054 1.00 32.24 N ATOM 520 CA HIS A 33 -4.817 1.087 -4.634 1.00 20.33 C ATOM 521 C HIS A 33 -3.821 2.047 -3.990 1.00 25.12 C ATOM 522 O HIS A 33 -4.273 2.909 -3.237 1.00 11.32 O ATOM 523 CB HIS A 33 -4.779 -0.263 -3.917 1.00 3.04 C ATOM 524 CG HIS A 33 -5.483 -1.356 -4.660 1.00 61.33 C ATOM 525 ND1 HIS A 33 -4.827 -2.438 -5.205 1.00 62.43 N ATOM 526 CD2 HIS A 33 -6.794 -1.530 -4.947 1.00 1.34 C ATOM 527 CE1 HIS A 33 -5.704 -3.231 -5.796 1.00 5.01 C ATOM 528 NE2 HIS A 33 -6.905 -2.701 -5.653 1.00 35.54 N ATOM 0 H HIS A 33 -4.057 0.040 -6.285 1.00 32.24 H new ATOM 0 HA HIS A 33 -5.817 1.511 -4.540 1.00 20.33 H new ATOM 0 HB2 HIS A 33 -3.740 -0.553 -3.760 1.00 3.04 H new ATOM 0 HB3 HIS A 33 -5.232 -0.155 -2.932 1.00 3.04 H new ATOM 0 HD2 HIS A 33 -7.603 -0.870 -4.671 1.00 1.34 H new ATOM 0 HE1 HIS A 33 -5.477 -4.154 -6.308 1.00 5.01 H new ATOM 0 HE2 HIS A 33 -7.774 -3.098 -6.010 1.00 35.54 H new ATOM 536 N ILE A 34 -2.524 1.925 -4.255 1.00 61.24 N ATOM 537 CA ILE A 34 -1.536 2.818 -3.664 1.00 54.33 C ATOM 538 C ILE A 34 -1.878 4.278 -3.944 1.00 31.50 C ATOM 539 O ILE A 34 -1.569 5.163 -3.146 1.00 44.55 O ATOM 540 CB ILE A 34 -0.121 2.524 -4.194 1.00 63.44 C ATOM 541 CG1 ILE A 34 0.238 1.055 -3.962 1.00 21.42 C ATOM 542 CG2 ILE A 34 0.896 3.436 -3.525 1.00 42.04 C ATOM 543 CD1 ILE A 34 1.590 0.668 -4.520 1.00 71.22 C ATOM 0 H ILE A 34 -2.134 1.216 -4.876 1.00 61.24 H new ATOM 0 HA ILE A 34 -1.556 2.641 -2.589 1.00 54.33 H new ATOM 0 HB ILE A 34 -0.103 2.718 -5.266 1.00 63.44 H new ATOM 0 HG12 ILE A 34 0.224 0.851 -2.891 1.00 21.42 H new ATOM 0 HG13 ILE A 34 -0.527 0.426 -4.417 1.00 21.42 H new ATOM 0 HG21 ILE A 34 1.891 3.216 -3.911 1.00 42.04 H new ATOM 0 HG22 ILE A 34 0.647 4.476 -3.737 1.00 42.04 H new ATOM 0 HG23 ILE A 34 0.879 3.271 -2.448 1.00 42.04 H new ATOM 0 HD11 ILE A 34 1.778 -0.387 -4.319 1.00 71.22 H new ATOM 0 HD12 ILE A 34 1.602 0.840 -5.596 1.00 71.22 H new ATOM 0 HD13 ILE A 34 2.365 1.271 -4.047 1.00 71.22 H new ATOM 555 N VAL A 35 -2.520 4.522 -5.083 1.00 3.02 N ATOM 556 CA VAL A 35 -2.907 5.873 -5.467 1.00 40.42 C ATOM 557 C VAL A 35 -4.190 6.300 -4.762 1.00 72.34 C ATOM 558 O VAL A 35 -4.251 7.370 -4.157 1.00 21.45 O ATOM 559 CB VAL A 35 -3.110 5.987 -6.990 1.00 44.22 C ATOM 560 CG1 VAL A 35 -3.628 7.369 -7.358 1.00 44.12 C ATOM 561 CG2 VAL A 35 -1.812 5.682 -7.724 1.00 52.13 C ATOM 0 H VAL A 35 -2.782 3.801 -5.755 1.00 3.02 H new ATOM 0 HA VAL A 35 -2.093 6.532 -5.165 1.00 40.42 H new ATOM 0 HB VAL A 35 -3.855 5.253 -7.296 1.00 44.22 H new ATOM 0 HG11 VAL A 35 -3.765 7.431 -8.438 1.00 44.12 H new ATOM 0 HG12 VAL A 35 -4.582 7.544 -6.860 1.00 44.12 H new ATOM 0 HG13 VAL A 35 -2.909 8.124 -7.040 1.00 44.12 H new ATOM 0 HG21 VAL A 35 -1.973 5.767 -8.799 1.00 52.13 H new ATOM 0 HG22 VAL A 35 -1.044 6.391 -7.415 1.00 52.13 H new ATOM 0 HG23 VAL A 35 -1.488 4.669 -7.485 1.00 52.13 H new ATOM 571 N TRP A 36 -5.211 5.455 -4.844 1.00 55.40 N ATOM 572 CA TRP A 36 -6.495 5.745 -4.213 1.00 23.15 C ATOM 573 C TRP A 36 -6.331 5.928 -2.707 1.00 74.13 C ATOM 574 O TRP A 36 -6.962 6.797 -2.107 1.00 73.52 O ATOM 575 CB TRP A 36 -7.491 4.620 -4.496 1.00 42.44 C ATOM 576 CG TRP A 36 -8.787 4.775 -3.761 1.00 61.21 C ATOM 577 CD1 TRP A 36 -9.888 5.468 -4.177 1.00 14.12 C ATOM 578 CD2 TRP A 36 -9.116 4.228 -2.480 1.00 34.42 C ATOM 579 NE1 TRP A 36 -10.882 5.383 -3.231 1.00 4.13 N ATOM 580 CE2 TRP A 36 -10.434 4.627 -2.181 1.00 4.15 C ATOM 581 CE3 TRP A 36 -8.426 3.436 -1.556 1.00 15.11 C ATOM 582 CZ2 TRP A 36 -11.072 4.263 -0.999 1.00 2.24 C ATOM 583 CZ3 TRP A 36 -9.061 3.076 -0.383 1.00 74.41 C ATOM 584 CH2 TRP A 36 -10.373 3.488 -0.113 1.00 13.43 C ATOM 0 H TRP A 36 -5.176 4.565 -5.340 1.00 55.40 H new ATOM 0 HA TRP A 36 -6.878 6.674 -4.635 1.00 23.15 H new ATOM 0 HB2 TRP A 36 -7.691 4.583 -5.567 1.00 42.44 H new ATOM 0 HB3 TRP A 36 -7.039 3.667 -4.223 1.00 42.44 H new ATOM 0 HD1 TRP A 36 -9.966 6.004 -5.111 1.00 14.12 H new ATOM 0 HE1 TRP A 36 -11.804 5.814 -3.300 1.00 4.13 H new ATOM 0 HE3 TRP A 36 -7.415 3.112 -1.756 1.00 15.11 H new ATOM 0 HZ2 TRP A 36 -12.082 4.581 -0.788 1.00 2.24 H new ATOM 0 HZ3 TRP A 36 -8.537 2.466 0.338 1.00 74.41 H new ATOM 0 HH2 TRP A 36 -10.842 3.188 0.812 1.00 13.43 H new ATOM 595 N ALA A 37 -5.480 5.104 -2.104 1.00 74.11 N ATOM 596 CA ALA A 37 -5.233 5.178 -0.670 1.00 20.13 C ATOM 597 C ALA A 37 -4.545 6.487 -0.298 1.00 34.10 C ATOM 598 O ALA A 37 -5.025 7.230 0.559 1.00 52.15 O ATOM 599 CB ALA A 37 -4.394 3.991 -0.218 1.00 1.34 C ATOM 0 H ALA A 37 -4.951 4.378 -2.587 1.00 74.11 H new ATOM 0 HA ALA A 37 -6.195 5.146 -0.158 1.00 20.13 H new ATOM 0 HB1 ALA A 37 -4.217 4.058 0.855 1.00 1.34 H new ATOM 0 HB2 ALA A 37 -4.924 3.065 -0.441 1.00 1.34 H new ATOM 0 HB3 ALA A 37 -3.440 3.998 -0.745 1.00 1.34 H new ATOM 605 N SER A 38 -3.418 6.763 -0.945 1.00 70.50 N ATOM 606 CA SER A 38 -2.661 7.981 -0.679 1.00 33.31 C ATOM 607 C SER A 38 -3.552 9.213 -0.811 1.00 45.03 C ATOM 608 O SER A 38 -3.316 10.234 -0.165 1.00 55.21 O ATOM 609 CB SER A 38 -1.475 8.089 -1.638 1.00 11.44 C ATOM 610 OG SER A 38 -0.383 7.304 -1.190 1.00 54.43 O ATOM 0 H SER A 38 -3.008 6.159 -1.658 1.00 70.50 H new ATOM 0 HA SER A 38 -2.288 7.932 0.344 1.00 33.31 H new ATOM 0 HB2 SER A 38 -1.777 7.763 -2.633 1.00 11.44 H new ATOM 0 HB3 SER A 38 -1.167 9.131 -1.724 1.00 11.44 H new ATOM 0 HG SER A 38 -0.405 6.430 -1.633 1.00 54.43 H new ATOM 616 N ARG A 39 -4.575 9.108 -1.653 1.00 5.22 N ATOM 617 CA ARG A 39 -5.500 10.213 -1.872 1.00 14.33 C ATOM 618 C ARG A 39 -6.602 10.217 -0.816 1.00 42.32 C ATOM 619 O ARG A 39 -6.923 11.259 -0.245 1.00 32.41 O ATOM 620 CB ARG A 39 -6.117 10.120 -3.268 1.00 41.21 C ATOM 621 CG ARG A 39 -5.235 10.697 -4.364 1.00 53.22 C ATOM 622 CD ARG A 39 -5.272 12.217 -4.367 1.00 54.43 C ATOM 623 NE ARG A 39 -4.190 12.790 -5.162 1.00 3.32 N ATOM 624 CZ ARG A 39 -2.921 12.807 -4.769 1.00 44.44 C ATOM 625 NH1 ARG A 39 -2.577 12.287 -3.599 1.00 14.44 N ATOM 626 NH2 ARG A 39 -1.992 13.347 -5.548 1.00 25.32 N ATOM 0 H ARG A 39 -4.784 8.269 -2.194 1.00 5.22 H new ATOM 0 HA ARG A 39 -4.940 11.145 -1.791 1.00 14.33 H new ATOM 0 HB2 ARG A 39 -6.326 9.075 -3.495 1.00 41.21 H new ATOM 0 HB3 ARG A 39 -7.073 10.644 -3.269 1.00 41.21 H new ATOM 0 HG2 ARG A 39 -4.209 10.357 -4.223 1.00 53.22 H new ATOM 0 HG3 ARG A 39 -5.565 10.322 -5.333 1.00 53.22 H new ATOM 0 HD2 ARG A 39 -6.230 12.555 -4.762 1.00 54.43 H new ATOM 0 HD3 ARG A 39 -5.202 12.583 -3.343 1.00 54.43 H new ATOM 0 HE ARG A 39 -4.421 13.199 -6.067 1.00 3.32 H new ATOM 0 HH11 ARG A 39 -3.288 11.872 -2.997 1.00 14.44 H new ATOM 0 HH12 ARG A 39 -1.602 12.302 -3.301 1.00 14.44 H new ATOM 0 HH21 ARG A 39 -2.252 13.749 -6.449 1.00 25.32 H new ATOM 0 HH22 ARG A 39 -1.018 13.360 -5.246 1.00 25.32 H new ATOM 640 N GLU A 40 -7.176 9.045 -0.564 1.00 12.05 N ATOM 641 CA GLU A 40 -8.243 8.915 0.422 1.00 45.20 C ATOM 642 C GLU A 40 -7.814 9.493 1.768 1.00 71.23 C ATOM 643 O GLU A 40 -8.547 10.267 2.385 1.00 3.52 O ATOM 644 CB GLU A 40 -8.637 7.446 0.588 1.00 53.11 C ATOM 645 CG GLU A 40 -10.138 7.214 0.583 1.00 52.35 C ATOM 646 CD GLU A 40 -10.828 7.829 1.785 1.00 50.30 C ATOM 647 OE1 GLU A 40 -10.122 8.237 2.730 1.00 12.42 O ATOM 648 OE2 GLU A 40 -12.075 7.902 1.780 1.00 42.21 O ATOM 0 H GLU A 40 -6.921 8.173 -1.028 1.00 12.05 H new ATOM 0 HA GLU A 40 -9.105 9.477 0.063 1.00 45.20 H new ATOM 0 HB2 GLU A 40 -8.185 6.864 -0.216 1.00 53.11 H new ATOM 0 HB3 GLU A 40 -8.223 7.071 1.524 1.00 53.11 H new ATOM 0 HG2 GLU A 40 -10.563 7.633 -0.329 1.00 52.35 H new ATOM 0 HG3 GLU A 40 -10.336 6.142 0.564 1.00 52.35 H new ATOM 655 N LEU A 41 -6.623 9.112 2.216 1.00 31.22 N ATOM 656 CA LEU A 41 -6.096 9.591 3.489 1.00 11.23 C ATOM 657 C LEU A 41 -6.149 11.114 3.562 1.00 51.01 C ATOM 658 O LEU A 41 -6.459 11.684 4.607 1.00 23.01 O ATOM 659 CB LEU A 41 -4.656 9.110 3.680 1.00 13.10 C ATOM 660 CG LEU A 41 -4.476 7.610 3.919 1.00 12.43 C ATOM 661 CD1 LEU A 41 -3.007 7.228 3.831 1.00 1.14 C ATOM 662 CD2 LEU A 41 -5.053 7.212 5.270 1.00 73.24 C ATOM 0 H LEU A 41 -6.004 8.473 1.717 1.00 31.22 H new ATOM 0 HA LEU A 41 -6.718 9.186 4.287 1.00 11.23 H new ATOM 0 HB2 LEU A 41 -4.081 9.389 2.797 1.00 13.10 H new ATOM 0 HB3 LEU A 41 -4.224 9.647 4.524 1.00 13.10 H new ATOM 0 HG LEU A 41 -5.017 7.070 3.142 1.00 12.43 H new ATOM 0 HD11 LEU A 41 -2.899 6.157 4.004 1.00 1.14 H new ATOM 0 HD12 LEU A 41 -2.625 7.476 2.841 1.00 1.14 H new ATOM 0 HD13 LEU A 41 -2.443 7.776 4.585 1.00 1.14 H new ATOM 0 HD21 LEU A 41 -4.916 6.142 5.423 1.00 73.24 H new ATOM 0 HD22 LEU A 41 -4.540 7.760 6.060 1.00 73.24 H new ATOM 0 HD23 LEU A 41 -6.117 7.449 5.295 1.00 73.24 H new ATOM 674 N GLU A 42 -5.846 11.765 2.442 1.00 35.25 N ATOM 675 CA GLU A 42 -5.862 13.222 2.381 1.00 65.25 C ATOM 676 C GLU A 42 -7.250 13.766 2.702 1.00 74.33 C ATOM 677 O GLU A 42 -7.392 14.893 3.175 1.00 11.43 O ATOM 678 CB GLU A 42 -5.423 13.700 0.994 1.00 71.13 C ATOM 679 CG GLU A 42 -5.182 15.198 0.915 1.00 61.24 C ATOM 680 CD GLU A 42 -4.943 15.675 -0.504 1.00 42.13 C ATOM 681 OE1 GLU A 42 -4.644 14.830 -1.373 1.00 52.21 O ATOM 682 OE2 GLU A 42 -5.056 16.896 -0.746 1.00 14.20 O ATOM 0 H GLU A 42 -5.587 11.308 1.568 1.00 35.25 H new ATOM 0 HA GLU A 42 -5.163 13.599 3.127 1.00 65.25 H new ATOM 0 HB2 GLU A 42 -4.509 13.178 0.712 1.00 71.13 H new ATOM 0 HB3 GLU A 42 -6.186 13.424 0.266 1.00 71.13 H new ATOM 0 HG2 GLU A 42 -6.042 15.723 1.331 1.00 61.24 H new ATOM 0 HG3 GLU A 42 -4.321 15.457 1.531 1.00 61.24 H new ATOM 689 N ARG A 43 -8.272 12.957 2.441 1.00 63.14 N ATOM 690 CA ARG A 43 -9.650 13.357 2.701 1.00 24.42 C ATOM 691 C ARG A 43 -9.984 13.222 4.184 1.00 42.54 C ATOM 692 O ARG A 43 -10.804 13.971 4.716 1.00 42.51 O ATOM 693 CB ARG A 43 -10.614 12.509 1.871 1.00 74.23 C ATOM 694 CG ARG A 43 -11.491 13.325 0.934 1.00 62.44 C ATOM 695 CD ARG A 43 -12.310 12.430 0.016 1.00 23.31 C ATOM 696 NE ARG A 43 -13.590 13.035 -0.339 1.00 23.32 N ATOM 697 CZ ARG A 43 -14.440 12.500 -1.208 1.00 62.14 C ATOM 698 NH1 ARG A 43 -14.147 11.354 -1.808 1.00 21.12 N ATOM 699 NH2 ARG A 43 -15.586 13.112 -1.480 1.00 21.42 N ATOM 0 H ARG A 43 -8.172 12.020 2.050 1.00 63.14 H new ATOM 0 HA ARG A 43 -9.759 14.403 2.415 1.00 24.42 H new ATOM 0 HB2 ARG A 43 -10.041 11.791 1.285 1.00 74.23 H new ATOM 0 HB3 ARG A 43 -11.251 11.935 2.544 1.00 74.23 H new ATOM 0 HG2 ARG A 43 -12.159 13.958 1.518 1.00 62.44 H new ATOM 0 HG3 ARG A 43 -10.867 13.988 0.335 1.00 62.44 H new ATOM 0 HD2 ARG A 43 -11.742 12.225 -0.891 1.00 23.31 H new ATOM 0 HD3 ARG A 43 -12.485 11.472 0.506 1.00 23.31 H new ATOM 0 HE ARG A 43 -13.846 13.917 0.105 1.00 23.32 H new ATOM 0 HH11 ARG A 43 -13.267 10.881 -1.602 1.00 21.12 H new ATOM 0 HH12 ARG A 43 -14.802 10.946 -2.475 1.00 21.12 H new ATOM 0 HH21 ARG A 43 -15.814 13.994 -1.021 1.00 21.42 H new ATOM 0 HH22 ARG A 43 -16.238 12.700 -2.148 1.00 21.42 H new ATOM 713 N PHE A 44 -9.345 12.264 4.844 1.00 22.53 N ATOM 714 CA PHE A 44 -9.575 12.030 6.265 1.00 30.33 C ATOM 715 C PHE A 44 -8.548 12.774 7.113 1.00 24.05 C ATOM 716 O PHE A 44 -8.083 12.266 8.133 1.00 31.42 O ATOM 717 CB PHE A 44 -9.518 10.533 6.574 1.00 74.41 C ATOM 718 CG PHE A 44 -10.818 9.820 6.325 1.00 24.04 C ATOM 719 CD1 PHE A 44 -11.258 9.585 5.033 1.00 30.33 C ATOM 720 CD2 PHE A 44 -11.598 9.386 7.385 1.00 64.00 C ATOM 721 CE1 PHE A 44 -12.452 8.929 4.802 1.00 32.44 C ATOM 722 CE2 PHE A 44 -12.793 8.729 7.160 1.00 2.22 C ATOM 723 CZ PHE A 44 -13.222 8.502 5.867 1.00 64.11 C ATOM 0 H PHE A 44 -8.663 11.636 4.418 1.00 22.53 H new ATOM 0 HA PHE A 44 -10.567 12.408 6.512 1.00 30.33 H new ATOM 0 HB2 PHE A 44 -8.739 10.074 5.966 1.00 74.41 H new ATOM 0 HB3 PHE A 44 -9.231 10.396 7.617 1.00 74.41 H new ATOM 0 HD1 PHE A 44 -10.661 9.918 4.197 1.00 30.33 H new ATOM 0 HD2 PHE A 44 -11.268 9.563 8.398 1.00 64.00 H new ATOM 0 HE1 PHE A 44 -12.783 8.750 3.790 1.00 32.44 H new ATOM 0 HE2 PHE A 44 -13.391 8.393 7.995 1.00 2.22 H new ATOM 0 HZ PHE A 44 -14.157 7.992 5.689 1.00 64.11 H new ATOM 733 N ALA A 45 -8.197 13.981 6.682 1.00 3.53 N ATOM 734 CA ALA A 45 -7.225 14.797 7.401 1.00 55.14 C ATOM 735 C ALA A 45 -6.000 13.977 7.787 1.00 5.23 C ATOM 736 O ALA A 45 -5.324 14.278 8.773 1.00 75.45 O ATOM 737 CB ALA A 45 -7.865 15.411 8.638 1.00 22.45 C ATOM 0 H ALA A 45 -8.571 14.416 5.839 1.00 3.53 H new ATOM 0 HA ALA A 45 -6.898 15.599 6.739 1.00 55.14 H new ATOM 0 HB1 ALA A 45 -7.129 16.018 9.166 1.00 22.45 H new ATOM 0 HB2 ALA A 45 -8.705 16.038 8.340 1.00 22.45 H new ATOM 0 HB3 ALA A 45 -8.220 14.618 9.296 1.00 22.45 H new ATOM 743 N VAL A 46 -5.717 12.940 7.007 1.00 61.24 N ATOM 744 CA VAL A 46 -4.571 12.076 7.266 1.00 4.24 C ATOM 745 C VAL A 46 -3.562 12.143 6.126 1.00 10.42 C ATOM 746 O VAL A 46 -3.885 11.840 4.979 1.00 53.22 O ATOM 747 CB VAL A 46 -5.006 10.612 7.468 1.00 3.52 C ATOM 748 CG1 VAL A 46 -3.790 9.709 7.610 1.00 65.10 C ATOM 749 CG2 VAL A 46 -5.916 10.489 8.679 1.00 33.13 C ATOM 0 H VAL A 46 -6.266 12.677 6.189 1.00 61.24 H new ATOM 0 HA VAL A 46 -4.103 12.438 8.182 1.00 4.24 H new ATOM 0 HB VAL A 46 -5.565 10.293 6.589 1.00 3.52 H new ATOM 0 HG11 VAL A 46 -4.116 8.679 7.752 1.00 65.10 H new ATOM 0 HG12 VAL A 46 -3.180 9.776 6.709 1.00 65.10 H new ATOM 0 HG13 VAL A 46 -3.201 10.025 8.471 1.00 65.10 H new ATOM 0 HG21 VAL A 46 -6.213 9.448 8.806 1.00 33.13 H new ATOM 0 HG22 VAL A 46 -5.385 10.826 9.569 1.00 33.13 H new ATOM 0 HG23 VAL A 46 -6.803 11.104 8.531 1.00 33.13 H new ATOM 759 N ASN A 47 -2.336 12.542 6.450 1.00 31.53 N ATOM 760 CA ASN A 47 -1.278 12.648 5.453 1.00 62.04 C ATOM 761 C ASN A 47 -0.897 11.273 4.914 1.00 22.33 C ATOM 762 O ASN A 47 -0.783 10.298 5.658 1.00 64.45 O ATOM 763 CB ASN A 47 -0.048 13.331 6.054 1.00 2.42 C ATOM 764 CG ASN A 47 -0.357 14.721 6.577 1.00 30.14 C ATOM 765 OD1 ASN A 47 -0.522 15.665 5.805 1.00 12.11 O ATOM 766 ND2 ASN A 47 -0.436 14.852 7.897 1.00 61.22 N ATOM 0 H ASN A 47 -2.051 12.797 7.396 1.00 31.53 H new ATOM 0 HA ASN A 47 -1.653 13.251 4.626 1.00 62.04 H new ATOM 0 HB2 ASN A 47 0.344 12.719 6.866 1.00 2.42 H new ATOM 0 HB3 ASN A 47 0.734 13.396 5.298 1.00 2.42 H new ATOM 0 HD21 ASN A 47 -0.641 15.763 8.308 1.00 61.22 H new ATOM 0 HD22 ASN A 47 -0.292 14.042 8.499 1.00 61.22 H new ATOM 773 N PRO A 48 -0.693 11.191 3.591 1.00 75.54 N ATOM 774 CA PRO A 48 -0.322 9.940 2.924 1.00 64.33 C ATOM 775 C PRO A 48 1.097 9.499 3.267 1.00 44.13 C ATOM 776 O PRO A 48 1.543 8.428 2.857 1.00 74.15 O ATOM 777 CB PRO A 48 -0.429 10.285 1.436 1.00 5.24 C ATOM 778 CG PRO A 48 -0.226 11.760 1.374 1.00 5.24 C ATOM 779 CD PRO A 48 -0.812 12.312 2.645 1.00 63.55 C ATOM 0 HA PRO A 48 -0.960 9.111 3.230 1.00 64.33 H new ATOM 0 HB2 PRO A 48 0.325 9.757 0.852 1.00 5.24 H new ATOM 0 HB3 PRO A 48 -1.401 10.002 1.033 1.00 5.24 H new ATOM 0 HG2 PRO A 48 0.833 12.005 1.294 1.00 5.24 H new ATOM 0 HG3 PRO A 48 -0.719 12.185 0.500 1.00 5.24 H new ATOM 0 HD2 PRO A 48 -0.266 13.190 2.991 1.00 63.55 H new ATOM 0 HD3 PRO A 48 -1.850 12.615 2.510 1.00 63.55 H new ATOM 787 N GLY A 49 1.805 10.333 4.024 1.00 40.23 N ATOM 788 CA GLY A 49 3.166 10.012 4.409 1.00 13.44 C ATOM 789 C GLY A 49 3.229 8.912 5.451 1.00 11.51 C ATOM 790 O GLY A 49 4.312 8.458 5.819 1.00 24.31 O ATOM 0 H GLY A 49 1.459 11.225 4.377 1.00 40.23 H new ATOM 0 HA2 GLY A 49 3.727 9.705 3.527 1.00 13.44 H new ATOM 0 HA3 GLY A 49 3.651 10.907 4.800 1.00 13.44 H new ATOM 794 N LEU A 50 2.066 8.485 5.929 1.00 0.01 N ATOM 795 CA LEU A 50 1.992 7.433 6.937 1.00 43.43 C ATOM 796 C LEU A 50 2.133 6.056 6.296 1.00 62.30 C ATOM 797 O LEU A 50 2.037 5.031 6.974 1.00 12.13 O ATOM 798 CB LEU A 50 0.669 7.521 7.699 1.00 31.12 C ATOM 799 CG LEU A 50 0.398 8.840 8.423 1.00 3.33 C ATOM 800 CD1 LEU A 50 -1.017 8.862 8.980 1.00 23.15 C ATOM 801 CD2 LEU A 50 1.414 9.058 9.534 1.00 44.01 C ATOM 0 H LEU A 50 1.161 8.851 5.635 1.00 0.01 H new ATOM 0 HA LEU A 50 2.816 7.575 7.636 1.00 43.43 H new ATOM 0 HB2 LEU A 50 -0.145 7.342 6.996 1.00 31.12 H new ATOM 0 HB3 LEU A 50 0.641 6.715 8.432 1.00 31.12 H new ATOM 0 HG LEU A 50 0.496 9.653 7.704 1.00 3.33 H new ATOM 0 HD11 LEU A 50 -1.192 9.808 9.492 1.00 23.15 H new ATOM 0 HD12 LEU A 50 -1.731 8.754 8.164 1.00 23.15 H new ATOM 0 HD13 LEU A 50 -1.144 8.040 9.684 1.00 23.15 H new ATOM 0 HD21 LEU A 50 1.205 10.002 10.038 1.00 44.01 H new ATOM 0 HD22 LEU A 50 1.349 8.241 10.252 1.00 44.01 H new ATOM 0 HD23 LEU A 50 2.417 9.088 9.109 1.00 44.01 H new ATOM 813 N LEU A 51 2.363 6.038 4.988 1.00 22.25 N ATOM 814 CA LEU A 51 2.520 4.786 4.256 1.00 60.33 C ATOM 815 C LEU A 51 3.994 4.468 4.030 1.00 30.10 C ATOM 816 O LEU A 51 4.340 3.383 3.563 1.00 12.22 O ATOM 817 CB LEU A 51 1.791 4.863 2.913 1.00 33.24 C ATOM 818 CG LEU A 51 0.342 5.350 2.962 1.00 24.13 C ATOM 819 CD1 LEU A 51 -0.220 5.498 1.557 1.00 63.44 C ATOM 820 CD2 LEU A 51 -0.513 4.396 3.783 1.00 73.23 C ATOM 0 H LEU A 51 2.445 6.876 4.412 1.00 22.25 H new ATOM 0 HA LEU A 51 2.083 3.987 4.855 1.00 60.33 H new ATOM 0 HB2 LEU A 51 2.354 5.525 2.255 1.00 33.24 H new ATOM 0 HB3 LEU A 51 1.805 3.873 2.457 1.00 33.24 H new ATOM 0 HG LEU A 51 0.324 6.328 3.442 1.00 24.13 H new ATOM 0 HD11 LEU A 51 -1.252 5.845 1.613 1.00 63.44 H new ATOM 0 HD12 LEU A 51 0.377 6.221 1.001 1.00 63.44 H new ATOM 0 HD13 LEU A 51 -0.189 4.534 1.049 1.00 63.44 H new ATOM 0 HD21 LEU A 51 -1.541 4.758 3.807 1.00 73.23 H new ATOM 0 HD22 LEU A 51 -0.488 3.404 3.331 1.00 73.23 H new ATOM 0 HD23 LEU A 51 -0.123 4.341 4.800 1.00 73.23 H new ATOM 832 N GLU A 52 4.858 5.421 4.366 1.00 35.35 N ATOM 833 CA GLU A 52 6.295 5.241 4.201 1.00 3.14 C ATOM 834 C GLU A 52 6.967 4.966 5.543 1.00 4.34 C ATOM 835 O GLU A 52 8.007 5.547 5.861 1.00 35.12 O ATOM 836 CB GLU A 52 6.915 6.480 3.551 1.00 4.31 C ATOM 837 CG GLU A 52 6.701 7.757 4.347 1.00 61.22 C ATOM 838 CD GLU A 52 7.797 8.779 4.118 1.00 64.14 C ATOM 839 OE1 GLU A 52 7.705 9.536 3.128 1.00 13.13 O ATOM 840 OE2 GLU A 52 8.747 8.821 4.927 1.00 43.03 O ATOM 0 H GLU A 52 4.588 6.325 4.754 1.00 35.35 H new ATOM 0 HA GLU A 52 6.455 4.380 3.552 1.00 3.14 H new ATOM 0 HB2 GLU A 52 7.985 6.316 3.424 1.00 4.31 H new ATOM 0 HB3 GLU A 52 6.492 6.608 2.555 1.00 4.31 H new ATOM 0 HG2 GLU A 52 5.740 8.193 4.075 1.00 61.22 H new ATOM 0 HG3 GLU A 52 6.652 7.515 5.409 1.00 61.22 H new ATOM 847 N THR A 53 6.366 4.079 6.329 1.00 64.42 N ATOM 848 CA THR A 53 6.905 3.728 7.637 1.00 74.10 C ATOM 849 C THR A 53 6.103 2.600 8.277 1.00 70.35 C ATOM 850 O THR A 53 4.898 2.724 8.489 1.00 53.34 O ATOM 851 CB THR A 53 6.909 4.941 8.587 1.00 61.24 C ATOM 852 OG1 THR A 53 6.792 4.501 9.944 1.00 4.04 O ATOM 853 CG2 THR A 53 5.767 5.890 8.256 1.00 2.23 C ATOM 0 H THR A 53 5.505 3.590 6.083 1.00 64.42 H new ATOM 0 HA THR A 53 7.931 3.397 7.477 1.00 74.10 H new ATOM 0 HB THR A 53 7.852 5.473 8.458 1.00 61.24 H new ATOM 0 HG1 THR A 53 6.797 5.278 10.541 1.00 4.04 H new ATOM 0 HG21 THR A 53 5.790 6.739 8.939 1.00 2.23 H new ATOM 0 HG22 THR A 53 5.875 6.246 7.231 1.00 2.23 H new ATOM 0 HG23 THR A 53 4.817 5.366 8.360 1.00 2.23 H new ATOM 861 N SER A 54 6.781 1.498 8.582 1.00 41.21 N ATOM 862 CA SER A 54 6.131 0.345 9.196 1.00 63.14 C ATOM 863 C SER A 54 5.356 0.758 10.443 1.00 43.53 C ATOM 864 O SER A 54 4.308 0.193 10.749 1.00 12.23 O ATOM 865 CB SER A 54 7.169 -0.721 9.555 1.00 13.24 C ATOM 866 OG SER A 54 7.646 -0.541 10.877 1.00 41.11 O ATOM 0 H SER A 54 7.780 1.379 8.414 1.00 41.21 H new ATOM 0 HA SER A 54 5.428 -0.071 8.475 1.00 63.14 H new ATOM 0 HB2 SER A 54 6.727 -1.712 9.456 1.00 13.24 H new ATOM 0 HB3 SER A 54 8.002 -0.673 8.854 1.00 13.24 H new ATOM 0 HG SER A 54 8.307 -1.235 11.084 1.00 41.11 H new ATOM 872 N GLU A 55 5.882 1.749 11.157 1.00 32.43 N ATOM 873 CA GLU A 55 5.240 2.237 12.373 1.00 51.25 C ATOM 874 C GLU A 55 4.095 3.189 12.038 1.00 44.34 C ATOM 875 O GLU A 55 3.154 3.342 12.813 1.00 14.33 O ATOM 876 CB GLU A 55 6.262 2.945 13.266 1.00 75.34 C ATOM 877 CG GLU A 55 7.138 1.991 14.060 1.00 50.10 C ATOM 878 CD GLU A 55 8.347 2.677 14.665 1.00 64.32 C ATOM 879 OE1 GLU A 55 8.160 3.532 15.555 1.00 11.50 O ATOM 880 OE2 GLU A 55 9.481 2.359 14.249 1.00 34.00 O ATOM 0 H GLU A 55 6.749 2.229 10.915 1.00 32.43 H new ATOM 0 HA GLU A 55 4.832 1.380 12.908 1.00 51.25 H new ATOM 0 HB2 GLU A 55 6.897 3.578 12.646 1.00 75.34 H new ATOM 0 HB3 GLU A 55 5.735 3.602 13.958 1.00 75.34 H new ATOM 0 HG2 GLU A 55 6.547 1.537 14.855 1.00 50.10 H new ATOM 0 HG3 GLU A 55 7.471 1.183 13.409 1.00 50.10 H new ATOM 887 N GLY A 56 4.186 3.829 10.875 1.00 72.22 N ATOM 888 CA GLY A 56 3.152 4.759 10.457 1.00 5.11 C ATOM 889 C GLY A 56 1.860 4.060 10.085 1.00 3.40 C ATOM 890 O GLY A 56 0.782 4.462 10.522 1.00 33.44 O ATOM 0 H GLY A 56 4.957 3.720 10.216 1.00 72.22 H new ATOM 0 HA2 GLY A 56 2.959 5.469 11.262 1.00 5.11 H new ATOM 0 HA3 GLY A 56 3.509 5.335 9.603 1.00 5.11 H new ATOM 894 N CYS A 57 1.968 3.014 9.274 1.00 71.34 N ATOM 895 CA CYS A 57 0.797 2.259 8.840 1.00 62.41 C ATOM 896 C CYS A 57 0.006 1.746 10.039 1.00 50.43 C ATOM 897 O CYS A 57 -1.162 2.091 10.217 1.00 11.34 O ATOM 898 CB CYS A 57 1.221 1.086 7.954 1.00 32.11 C ATOM 899 SG CYS A 57 2.207 1.566 6.516 1.00 24.44 S ATOM 0 H CYS A 57 2.854 2.669 8.904 1.00 71.34 H new ATOM 0 HA CYS A 57 0.157 2.927 8.264 1.00 62.41 H new ATOM 0 HB2 CYS A 57 1.794 0.379 8.555 1.00 32.11 H new ATOM 0 HB3 CYS A 57 0.329 0.563 7.611 1.00 32.11 H new ATOM 0 HG CYS A 57 3.348 2.047 6.913 1.00 24.44 H new ATOM 905 N ARG A 58 0.649 0.920 10.856 1.00 25.15 N ATOM 906 CA ARG A 58 0.005 0.357 12.037 1.00 52.23 C ATOM 907 C ARG A 58 -0.704 1.444 12.839 1.00 32.23 C ATOM 908 O ARG A 58 -1.794 1.226 13.368 1.00 54.40 O ATOM 909 CB ARG A 58 1.036 -0.352 12.918 1.00 61.11 C ATOM 910 CG ARG A 58 0.506 -1.613 13.580 1.00 30.33 C ATOM 911 CD ARG A 58 0.185 -1.379 15.048 1.00 64.13 C ATOM 912 NE ARG A 58 -1.087 -0.684 15.227 1.00 64.45 N ATOM 913 CZ ARG A 58 -1.656 -0.485 16.410 1.00 4.51 C ATOM 914 NH1 ARG A 58 -1.067 -0.923 17.514 1.00 10.22 N ATOM 915 NH2 ARG A 58 -2.814 0.157 16.491 1.00 75.34 N ATOM 0 H ARG A 58 1.616 0.625 10.722 1.00 25.15 H new ATOM 0 HA ARG A 58 -0.738 -0.368 11.704 1.00 52.23 H new ATOM 0 HB2 ARG A 58 1.905 -0.608 12.312 1.00 61.11 H new ATOM 0 HB3 ARG A 58 1.378 0.338 13.690 1.00 61.11 H new ATOM 0 HG2 ARG A 58 -0.391 -1.949 13.059 1.00 30.33 H new ATOM 0 HG3 ARG A 58 1.244 -2.410 13.490 1.00 30.33 H new ATOM 0 HD2 ARG A 58 0.151 -2.336 15.569 1.00 64.13 H new ATOM 0 HD3 ARG A 58 0.984 -0.795 15.505 1.00 64.13 H new ATOM 0 HE ARG A 58 -1.565 -0.332 14.397 1.00 64.45 H new ATOM 0 HH11 ARG A 58 -0.175 -1.414 17.456 1.00 10.22 H new ATOM 0 HH12 ARG A 58 -1.506 -0.769 18.422 1.00 10.22 H new ATOM 0 HH21 ARG A 58 -3.268 0.498 15.644 1.00 75.34 H new ATOM 0 HH22 ARG A 58 -3.250 0.309 17.400 1.00 75.34 H new ATOM 929 N GLN A 59 -0.076 2.613 12.926 1.00 72.53 N ATOM 930 CA GLN A 59 -0.648 3.732 13.665 1.00 4.53 C ATOM 931 C GLN A 59 -1.953 4.196 13.028 1.00 13.30 C ATOM 932 O GLN A 59 -2.896 4.571 13.725 1.00 3.21 O ATOM 933 CB GLN A 59 0.347 4.893 13.722 1.00 32.32 C ATOM 934 CG GLN A 59 0.060 5.886 14.837 1.00 44.02 C ATOM 935 CD GLN A 59 1.151 6.928 14.985 1.00 3.13 C ATOM 936 OE1 GLN A 59 2.340 6.613 14.921 1.00 50.00 O ATOM 937 NE2 GLN A 59 0.752 8.179 15.185 1.00 62.10 N ATOM 0 H GLN A 59 0.827 2.809 12.495 1.00 72.53 H new ATOM 0 HA GLN A 59 -0.861 3.394 14.679 1.00 4.53 H new ATOM 0 HB2 GLN A 59 1.352 4.493 13.853 1.00 32.32 H new ATOM 0 HB3 GLN A 59 0.335 5.418 12.767 1.00 32.32 H new ATOM 0 HG2 GLN A 59 -0.889 6.385 14.639 1.00 44.02 H new ATOM 0 HG3 GLN A 59 -0.053 5.347 15.778 1.00 44.02 H new ATOM 0 HE21 GLN A 59 -0.244 8.396 15.231 1.00 62.10 H new ATOM 0 HE22 GLN A 59 1.441 8.923 15.292 1.00 62.10 H new ATOM 946 N ILE A 60 -2.001 4.168 11.700 1.00 24.14 N ATOM 947 CA ILE A 60 -3.190 4.586 10.970 1.00 52.11 C ATOM 948 C ILE A 60 -4.405 3.761 11.381 1.00 33.31 C ATOM 949 O ILE A 60 -5.480 4.304 11.639 1.00 73.01 O ATOM 950 CB ILE A 60 -2.990 4.460 9.448 1.00 23.22 C ATOM 951 CG1 ILE A 60 -1.869 5.391 8.980 1.00 53.10 C ATOM 952 CG2 ILE A 60 -4.286 4.772 8.715 1.00 23.23 C ATOM 953 CD1 ILE A 60 -1.245 4.974 7.667 1.00 72.32 C ATOM 0 H ILE A 60 -1.229 3.860 11.108 1.00 24.14 H new ATOM 0 HA ILE A 60 -3.362 5.633 11.220 1.00 52.11 H new ATOM 0 HB ILE A 60 -2.704 3.434 9.218 1.00 23.22 H new ATOM 0 HG12 ILE A 60 -2.265 6.401 8.880 1.00 53.10 H new ATOM 0 HG13 ILE A 60 -1.094 5.427 9.746 1.00 53.10 H new ATOM 0 HG21 ILE A 60 -4.128 4.679 7.641 1.00 23.23 H new ATOM 0 HG22 ILE A 60 -5.060 4.072 9.030 1.00 23.23 H new ATOM 0 HG23 ILE A 60 -4.600 5.789 8.948 1.00 23.23 H new ATOM 0 HD11 ILE A 60 -0.459 5.679 7.398 1.00 72.32 H new ATOM 0 HD12 ILE A 60 -0.818 3.976 7.768 1.00 72.32 H new ATOM 0 HD13 ILE A 60 -2.008 4.966 6.888 1.00 72.32 H new ATOM 965 N LEU A 61 -4.227 2.445 11.442 1.00 5.31 N ATOM 966 CA LEU A 61 -5.308 1.544 11.824 1.00 11.22 C ATOM 967 C LEU A 61 -5.843 1.893 13.210 1.00 35.43 C ATOM 968 O LEU A 61 -7.022 1.695 13.499 1.00 31.41 O ATOM 969 CB LEU A 61 -4.821 0.094 11.803 1.00 71.10 C ATOM 970 CG LEU A 61 -4.174 -0.377 10.500 1.00 71.22 C ATOM 971 CD1 LEU A 61 -3.346 -1.630 10.739 1.00 40.35 C ATOM 972 CD2 LEU A 61 -5.235 -0.632 9.439 1.00 12.51 C ATOM 0 H LEU A 61 -3.344 1.979 11.232 1.00 5.31 H new ATOM 0 HA LEU A 61 -6.117 1.660 11.103 1.00 11.22 H new ATOM 0 HB2 LEU A 61 -4.102 -0.039 12.611 1.00 71.10 H new ATOM 0 HB3 LEU A 61 -5.668 -0.556 12.020 1.00 71.10 H new ATOM 0 HG LEU A 61 -3.511 0.410 10.141 1.00 71.22 H new ATOM 0 HD11 LEU A 61 -2.893 -1.951 9.801 1.00 40.35 H new ATOM 0 HD12 LEU A 61 -2.562 -1.415 11.466 1.00 40.35 H new ATOM 0 HD13 LEU A 61 -3.988 -2.423 11.122 1.00 40.35 H new ATOM 0 HD21 LEU A 61 -4.756 -0.966 8.519 1.00 12.51 H new ATOM 0 HD22 LEU A 61 -5.923 -1.401 9.790 1.00 12.51 H new ATOM 0 HD23 LEU A 61 -5.786 0.288 9.247 1.00 12.51 H new ATOM 984 N GLY A 62 -4.967 2.414 14.063 1.00 50.51 N ATOM 985 CA GLY A 62 -5.371 2.784 15.408 1.00 64.11 C ATOM 986 C GLY A 62 -6.265 4.008 15.429 1.00 45.05 C ATOM 987 O GLY A 62 -7.159 4.116 16.267 1.00 52.25 O ATOM 0 H GLY A 62 -3.985 2.587 13.848 1.00 50.51 H new ATOM 0 HA2 GLY A 62 -5.895 1.947 15.870 1.00 64.11 H new ATOM 0 HA3 GLY A 62 -4.483 2.976 16.011 1.00 64.11 H new ATOM 991 N GLN A 63 -6.020 4.934 14.506 1.00 21.41 N ATOM 992 CA GLN A 63 -6.809 6.157 14.424 1.00 23.51 C ATOM 993 C GLN A 63 -8.185 5.879 13.829 1.00 25.31 C ATOM 994 O GLN A 63 -9.198 6.381 14.318 1.00 22.13 O ATOM 995 CB GLN A 63 -6.078 7.204 13.582 1.00 41.01 C ATOM 996 CG GLN A 63 -5.860 8.523 14.307 1.00 40.04 C ATOM 997 CD GLN A 63 -6.730 9.638 13.763 1.00 12.23 C ATOM 998 OE1 GLN A 63 -7.730 10.016 14.376 1.00 3.25 O ATOM 999 NE2 GLN A 63 -6.355 10.173 12.607 1.00 34.10 N ATOM 0 H GLN A 63 -5.282 4.860 13.806 1.00 21.41 H new ATOM 0 HA GLN A 63 -6.942 6.542 15.435 1.00 23.51 H new ATOM 0 HB2 GLN A 63 -5.112 6.803 13.277 1.00 41.01 H new ATOM 0 HB3 GLN A 63 -6.648 7.389 12.672 1.00 41.01 H new ATOM 0 HG2 GLN A 63 -6.069 8.389 15.368 1.00 40.04 H new ATOM 0 HG3 GLN A 63 -4.812 8.811 14.223 1.00 40.04 H new ATOM 0 HE21 GLN A 63 -5.520 9.829 12.133 1.00 34.10 H new ATOM 0 HE22 GLN A 63 -6.902 10.928 12.193 1.00 34.10 H new ATOM 1008 N LEU A 64 -8.215 5.076 12.770 1.00 3.44 N ATOM 1009 CA LEU A 64 -9.468 4.732 12.107 1.00 2.05 C ATOM 1010 C LEU A 64 -10.187 3.611 12.852 1.00 50.13 C ATOM 1011 O LEU A 64 -11.376 3.374 12.637 1.00 25.02 O ATOM 1012 CB LEU A 64 -9.203 4.311 10.661 1.00 22.14 C ATOM 1013 CG LEU A 64 -8.256 5.208 9.864 1.00 44.15 C ATOM 1014 CD1 LEU A 64 -7.869 4.542 8.552 1.00 5.44 C ATOM 1015 CD2 LEU A 64 -8.896 6.564 9.607 1.00 1.54 C ATOM 0 H LEU A 64 -7.387 4.652 12.353 1.00 3.44 H new ATOM 0 HA LEU A 64 -10.108 5.615 12.110 1.00 2.05 H new ATOM 0 HB2 LEU A 64 -8.795 3.300 10.667 1.00 22.14 H new ATOM 0 HB3 LEU A 64 -10.157 4.267 10.136 1.00 22.14 H new ATOM 0 HG LEU A 64 -7.351 5.361 10.451 1.00 44.15 H new ATOM 0 HD11 LEU A 64 -7.195 5.195 7.998 1.00 5.44 H new ATOM 0 HD12 LEU A 64 -7.370 3.595 8.758 1.00 5.44 H new ATOM 0 HD13 LEU A 64 -8.765 4.358 7.959 1.00 5.44 H new ATOM 0 HD21 LEU A 64 -8.208 7.189 9.039 1.00 1.54 H new ATOM 0 HD22 LEU A 64 -9.817 6.430 9.040 1.00 1.54 H new ATOM 0 HD23 LEU A 64 -9.122 7.046 10.558 1.00 1.54 H new ATOM 1027 N GLN A 65 -9.459 2.927 13.728 1.00 10.11 N ATOM 1028 CA GLN A 65 -10.029 1.833 14.505 1.00 1.03 C ATOM 1029 C GLN A 65 -11.325 2.264 15.184 1.00 42.21 C ATOM 1030 O GLN A 65 -12.397 1.713 14.935 1.00 73.52 O ATOM 1031 CB GLN A 65 -9.026 1.348 15.555 1.00 0.51 C ATOM 1032 CG GLN A 65 -8.582 -0.091 15.353 1.00 12.54 C ATOM 1033 CD GLN A 65 -7.417 -0.472 16.245 1.00 43.04 C ATOM 1034 OE1 GLN A 65 -7.321 -0.024 17.388 1.00 75.21 O ATOM 1035 NE2 GLN A 65 -6.521 -1.304 15.725 1.00 11.14 N ATOM 0 H GLN A 65 -8.474 3.111 13.918 1.00 10.11 H new ATOM 0 HA GLN A 65 -10.254 1.014 13.821 1.00 1.03 H new ATOM 0 HB2 GLN A 65 -8.150 1.996 15.535 1.00 0.51 H new ATOM 0 HB3 GLN A 65 -9.472 1.446 16.544 1.00 0.51 H new ATOM 0 HG2 GLN A 65 -9.421 -0.758 15.553 1.00 12.54 H new ATOM 0 HG3 GLN A 65 -8.300 -0.237 14.310 1.00 12.54 H new ATOM 0 HE21 GLN A 65 -6.640 -1.651 14.773 1.00 11.14 H new ATOM 0 HE22 GLN A 65 -5.715 -1.595 16.278 1.00 11.14 H new ATOM 1044 N PRO A 66 -11.227 3.273 16.063 1.00 65.33 N ATOM 1045 CA PRO A 66 -12.382 3.800 16.795 1.00 21.11 C ATOM 1046 C PRO A 66 -13.348 4.555 15.888 1.00 23.30 C ATOM 1047 O PRO A 66 -14.407 4.999 16.328 1.00 74.11 O ATOM 1048 CB PRO A 66 -11.750 4.752 17.815 1.00 75.15 C ATOM 1049 CG PRO A 66 -10.457 5.162 17.200 1.00 73.31 C ATOM 1050 CD PRO A 66 -9.980 3.976 16.409 1.00 33.11 C ATOM 0 HA PRO A 66 -12.978 3.005 17.245 1.00 21.11 H new ATOM 0 HB2 PRO A 66 -12.390 5.614 18.002 1.00 75.15 H new ATOM 0 HB3 PRO A 66 -11.593 4.258 18.774 1.00 75.15 H new ATOM 0 HG2 PRO A 66 -10.589 6.032 16.557 1.00 73.31 H new ATOM 0 HG3 PRO A 66 -9.731 5.438 17.965 1.00 73.31 H new ATOM 0 HD2 PRO A 66 -9.431 4.282 15.519 1.00 33.11 H new ATOM 0 HD3 PRO A 66 -9.312 3.345 16.995 1.00 33.11 H new ATOM 1058 N SER A 67 -12.975 4.695 14.620 1.00 4.22 N ATOM 1059 CA SER A 67 -13.806 5.400 13.652 1.00 73.41 C ATOM 1060 C SER A 67 -14.567 4.413 12.771 1.00 52.42 C ATOM 1061 O SER A 67 -15.554 4.771 12.127 1.00 53.13 O ATOM 1062 CB SER A 67 -12.948 6.319 12.782 1.00 3.31 C ATOM 1063 OG SER A 67 -12.056 7.085 13.576 1.00 72.45 O ATOM 0 H SER A 67 -12.102 4.329 14.239 1.00 4.22 H new ATOM 0 HA SER A 67 -14.528 6.004 14.202 1.00 73.41 H new ATOM 0 HB2 SER A 67 -12.382 5.723 12.065 1.00 3.31 H new ATOM 0 HB3 SER A 67 -13.591 6.985 12.206 1.00 3.31 H new ATOM 0 HG SER A 67 -11.217 6.593 13.692 1.00 72.45 H new ATOM 1069 N LEU A 68 -14.101 3.169 12.747 1.00 12.00 N ATOM 1070 CA LEU A 68 -14.737 2.129 11.946 1.00 52.53 C ATOM 1071 C LEU A 68 -16.236 2.068 12.221 1.00 22.04 C ATOM 1072 O LEU A 68 -17.010 1.594 11.391 1.00 63.00 O ATOM 1073 CB LEU A 68 -14.097 0.771 12.237 1.00 42.13 C ATOM 1074 CG LEU A 68 -12.705 0.544 11.647 1.00 62.24 C ATOM 1075 CD1 LEU A 68 -11.917 -0.439 12.499 1.00 54.23 C ATOM 1076 CD2 LEU A 68 -12.809 0.043 10.212 1.00 14.53 C ATOM 0 H LEU A 68 -13.285 2.856 13.273 1.00 12.00 H new ATOM 0 HA LEU A 68 -14.590 2.375 10.894 1.00 52.53 H new ATOM 0 HB2 LEU A 68 -14.036 0.645 13.318 1.00 42.13 H new ATOM 0 HB3 LEU A 68 -14.760 -0.008 11.862 1.00 42.13 H new ATOM 0 HG LEU A 68 -12.174 1.496 11.642 1.00 62.24 H new ATOM 0 HD11 LEU A 68 -10.929 -0.588 12.063 1.00 54.23 H new ATOM 0 HD12 LEU A 68 -11.812 -0.043 13.509 1.00 54.23 H new ATOM 0 HD13 LEU A 68 -12.444 -1.392 12.536 1.00 54.23 H new ATOM 0 HD21 LEU A 68 -11.809 -0.113 9.808 1.00 14.53 H new ATOM 0 HD22 LEU A 68 -13.359 -0.898 10.194 1.00 14.53 H new ATOM 0 HD23 LEU A 68 -13.334 0.781 9.606 1.00 14.53 H new ATOM 1088 N GLN A 69 -16.636 2.553 13.393 1.00 51.32 N ATOM 1089 CA GLN A 69 -18.043 2.554 13.777 1.00 51.42 C ATOM 1090 C GLN A 69 -18.726 3.846 13.338 1.00 23.22 C ATOM 1091 O GLN A 69 -19.874 3.834 12.892 1.00 24.44 O ATOM 1092 CB GLN A 69 -18.181 2.380 15.290 1.00 64.31 C ATOM 1093 CG GLN A 69 -19.621 2.367 15.773 1.00 15.43 C ATOM 1094 CD GLN A 69 -19.842 1.411 16.928 1.00 24.42 C ATOM 1095 OE1 GLN A 69 -19.167 0.386 17.038 1.00 21.21 O ATOM 1096 NE2 GLN A 69 -20.789 1.740 17.798 1.00 75.10 N ATOM 0 H GLN A 69 -16.007 2.949 14.091 1.00 51.32 H new ATOM 0 HA GLN A 69 -18.531 1.718 13.276 1.00 51.42 H new ATOM 0 HB2 GLN A 69 -17.699 1.448 15.585 1.00 64.31 H new ATOM 0 HB3 GLN A 69 -17.646 3.187 15.790 1.00 64.31 H new ATOM 0 HG2 GLN A 69 -19.906 3.373 16.080 1.00 15.43 H new ATOM 0 HG3 GLN A 69 -20.275 2.089 14.946 1.00 15.43 H new ATOM 0 HE21 GLN A 69 -21.324 2.599 17.669 1.00 75.10 H new ATOM 0 HE22 GLN A 69 -20.981 1.134 18.596 1.00 75.10 H new ATOM 1105 N THR A 70 -18.013 4.960 13.468 1.00 2.13 N ATOM 1106 CA THR A 70 -18.550 6.260 13.087 1.00 23.12 C ATOM 1107 C THR A 70 -18.553 6.431 11.572 1.00 43.33 C ATOM 1108 O THR A 70 -19.590 6.708 10.971 1.00 63.11 O ATOM 1109 CB THR A 70 -17.743 7.409 13.720 1.00 2.02 C ATOM 1110 OG1 THR A 70 -16.349 7.241 13.440 1.00 51.30 O ATOM 1111 CG2 THR A 70 -17.961 7.458 15.225 1.00 51.14 C ATOM 0 H THR A 70 -17.062 4.988 13.835 1.00 2.13 H new ATOM 0 HA THR A 70 -19.575 6.299 13.457 1.00 23.12 H new ATOM 0 HB THR A 70 -18.089 8.348 13.288 1.00 2.02 H new ATOM 0 HG1 THR A 70 -15.843 7.976 13.845 1.00 51.30 H new ATOM 0 HG21 THR A 70 -17.381 8.277 15.650 1.00 51.14 H new ATOM 0 HG22 THR A 70 -19.019 7.615 15.434 1.00 51.14 H new ATOM 0 HG23 THR A 70 -17.639 6.516 15.670 1.00 51.14 H new ATOM 1119 N GLY A 71 -17.385 6.264 10.960 1.00 63.11 N ATOM 1120 CA GLY A 71 -17.275 6.404 9.520 1.00 74.43 C ATOM 1121 C GLY A 71 -18.088 5.364 8.773 1.00 42.31 C ATOM 1122 O GLY A 71 -18.652 4.454 9.380 1.00 15.43 O ATOM 0 H GLY A 71 -16.513 6.034 11.436 1.00 63.11 H new ATOM 0 HA2 GLY A 71 -17.608 7.400 9.228 1.00 74.43 H new ATOM 0 HA3 GLY A 71 -16.228 6.320 9.229 1.00 74.43 H new ATOM 1126 N SER A 72 -18.149 5.500 7.452 1.00 53.01 N ATOM 1127 CA SER A 72 -18.903 4.568 6.622 1.00 53.32 C ATOM 1128 C SER A 72 -17.977 3.539 5.979 1.00 1.44 C ATOM 1129 O SER A 72 -16.826 3.388 6.386 1.00 71.43 O ATOM 1130 CB SER A 72 -19.673 5.325 5.538 1.00 12.23 C ATOM 1131 OG SER A 72 -18.820 5.689 4.467 1.00 32.12 O ATOM 0 H SER A 72 -17.685 6.246 6.934 1.00 53.01 H new ATOM 0 HA SER A 72 -19.612 4.043 7.262 1.00 53.32 H new ATOM 0 HB2 SER A 72 -20.487 4.703 5.164 1.00 12.23 H new ATOM 0 HB3 SER A 72 -20.126 6.219 5.966 1.00 12.23 H new ATOM 0 HG SER A 72 -19.336 6.170 3.787 1.00 32.12 H new ATOM 1137 N GLU A 73 -18.490 2.837 4.975 1.00 61.02 N ATOM 1138 CA GLU A 73 -17.709 1.823 4.276 1.00 72.02 C ATOM 1139 C GLU A 73 -16.490 2.444 3.600 1.00 55.51 C ATOM 1140 O GLU A 73 -15.547 1.744 3.235 1.00 73.22 O ATOM 1141 CB GLU A 73 -18.574 1.108 3.235 1.00 54.31 C ATOM 1142 CG GLU A 73 -18.900 1.965 2.023 1.00 15.21 C ATOM 1143 CD GLU A 73 -19.912 1.311 1.102 1.00 12.52 C ATOM 1144 OE1 GLU A 73 -20.403 0.214 1.444 1.00 63.23 O ATOM 1145 OE2 GLU A 73 -20.214 1.896 0.041 1.00 1.12 O ATOM 0 H GLU A 73 -19.442 2.951 4.627 1.00 61.02 H new ATOM 0 HA GLU A 73 -17.364 1.097 5.012 1.00 72.02 H new ATOM 0 HB2 GLU A 73 -18.059 0.206 2.904 1.00 54.31 H new ATOM 0 HB3 GLU A 73 -19.504 0.789 3.705 1.00 54.31 H new ATOM 0 HG2 GLU A 73 -19.287 2.928 2.357 1.00 15.21 H new ATOM 0 HG3 GLU A 73 -17.984 2.165 1.467 1.00 15.21 H new ATOM 1152 N GLU A 74 -16.520 3.763 3.438 1.00 41.02 N ATOM 1153 CA GLU A 74 -15.418 4.479 2.805 1.00 74.15 C ATOM 1154 C GLU A 74 -14.134 4.328 3.615 1.00 24.23 C ATOM 1155 O GLU A 74 -13.033 4.514 3.096 1.00 65.32 O ATOM 1156 CB GLU A 74 -15.765 5.961 2.649 1.00 72.32 C ATOM 1157 CG GLU A 74 -16.380 6.304 1.303 1.00 54.31 C ATOM 1158 CD GLU A 74 -16.176 7.758 0.922 1.00 13.10 C ATOM 1159 OE1 GLU A 74 -16.771 8.634 1.584 1.00 21.01 O ATOM 1160 OE2 GLU A 74 -15.422 8.019 -0.038 1.00 21.21 O ATOM 0 H GLU A 74 -17.294 4.357 3.736 1.00 41.02 H new ATOM 0 HA GLU A 74 -15.257 4.046 1.818 1.00 74.15 H new ATOM 0 HB2 GLU A 74 -16.458 6.248 3.439 1.00 72.32 H new ATOM 0 HB3 GLU A 74 -14.861 6.554 2.787 1.00 72.32 H new ATOM 0 HG2 GLU A 74 -15.943 5.666 0.535 1.00 54.31 H new ATOM 0 HG3 GLU A 74 -17.448 6.085 1.329 1.00 54.31 H new ATOM 1167 N LEU A 75 -14.283 3.991 4.891 1.00 73.41 N ATOM 1168 CA LEU A 75 -13.136 3.814 5.776 1.00 53.32 C ATOM 1169 C LEU A 75 -12.681 2.359 5.793 1.00 1.31 C ATOM 1170 O LEU A 75 -11.497 2.071 5.970 1.00 63.33 O ATOM 1171 CB LEU A 75 -13.487 4.268 7.193 1.00 43.41 C ATOM 1172 CG LEU A 75 -12.340 4.257 8.204 1.00 24.53 C ATOM 1173 CD1 LEU A 75 -11.798 5.662 8.415 1.00 71.31 C ATOM 1174 CD2 LEU A 75 -12.801 3.657 9.526 1.00 64.31 C ATOM 0 H LEU A 75 -15.187 3.835 5.337 1.00 73.41 H new ATOM 0 HA LEU A 75 -12.317 4.426 5.397 1.00 53.32 H new ATOM 0 HB2 LEU A 75 -13.888 5.280 7.140 1.00 43.41 H new ATOM 0 HB3 LEU A 75 -14.284 3.628 7.571 1.00 43.41 H new ATOM 0 HG LEU A 75 -11.537 3.637 7.806 1.00 24.53 H new ATOM 0 HD11 LEU A 75 -10.983 5.633 9.138 1.00 71.31 H new ATOM 0 HD12 LEU A 75 -11.429 6.056 7.468 1.00 71.31 H new ATOM 0 HD13 LEU A 75 -12.593 6.306 8.791 1.00 71.31 H new ATOM 0 HD21 LEU A 75 -11.972 3.657 10.234 1.00 64.31 H new ATOM 0 HD22 LEU A 75 -13.622 4.251 9.928 1.00 64.31 H new ATOM 0 HD23 LEU A 75 -13.139 2.634 9.363 1.00 64.31 H new ATOM 1186 N ARG A 76 -13.628 1.446 5.608 1.00 70.40 N ATOM 1187 CA ARG A 76 -13.323 0.020 5.602 1.00 73.23 C ATOM 1188 C ARG A 76 -12.280 -0.309 4.538 1.00 22.43 C ATOM 1189 O ARG A 76 -11.363 -1.096 4.775 1.00 75.33 O ATOM 1190 CB ARG A 76 -14.595 -0.794 5.353 1.00 23.33 C ATOM 1191 CG ARG A 76 -14.563 -2.180 5.976 1.00 23.32 C ATOM 1192 CD ARG A 76 -14.135 -3.234 4.968 1.00 61.40 C ATOM 1193 NE ARG A 76 -15.222 -4.155 4.645 1.00 64.23 N ATOM 1194 CZ ARG A 76 -15.232 -4.931 3.566 1.00 45.53 C ATOM 1195 NH1 ARG A 76 -14.218 -4.897 2.712 1.00 43.32 N ATOM 1196 NH2 ARG A 76 -16.257 -5.742 3.339 1.00 20.33 N ATOM 0 H ARG A 76 -14.613 1.668 5.460 1.00 70.40 H new ATOM 0 HA ARG A 76 -12.916 -0.243 6.578 1.00 73.23 H new ATOM 0 HB2 ARG A 76 -15.450 -0.246 5.749 1.00 23.33 H new ATOM 0 HB3 ARG A 76 -14.749 -0.891 4.278 1.00 23.33 H new ATOM 0 HG2 ARG A 76 -13.876 -2.184 6.822 1.00 23.32 H new ATOM 0 HG3 ARG A 76 -15.550 -2.428 6.366 1.00 23.32 H new ATOM 0 HD2 ARG A 76 -13.791 -2.745 4.056 1.00 61.40 H new ATOM 0 HD3 ARG A 76 -13.290 -3.796 5.367 1.00 61.40 H new ATOM 0 HE ARG A 76 -16.017 -4.205 5.282 1.00 64.23 H new ATOM 0 HH11 ARG A 76 -13.428 -4.274 2.883 1.00 43.32 H new ATOM 0 HH12 ARG A 76 -14.228 -5.493 1.885 1.00 43.32 H new ATOM 0 HH21 ARG A 76 -17.039 -5.771 3.993 1.00 20.33 H new ATOM 0 HH22 ARG A 76 -16.263 -6.337 2.510 1.00 20.33 H new ATOM 1210 N SER A 77 -12.426 0.299 3.366 1.00 41.14 N ATOM 1211 CA SER A 77 -11.500 0.069 2.263 1.00 24.53 C ATOM 1212 C SER A 77 -10.079 0.464 2.657 1.00 64.31 C ATOM 1213 O SER A 77 -9.111 -0.203 2.287 1.00 53.10 O ATOM 1214 CB SER A 77 -11.937 0.857 1.028 1.00 65.11 C ATOM 1215 OG SER A 77 -12.942 0.164 0.311 1.00 54.43 O ATOM 0 H SER A 77 -13.178 0.956 3.155 1.00 41.14 H new ATOM 0 HA SER A 77 -11.511 -0.995 2.027 1.00 24.53 H new ATOM 0 HB2 SER A 77 -12.311 1.835 1.330 1.00 65.11 H new ATOM 0 HB3 SER A 77 -11.078 1.030 0.380 1.00 65.11 H new ATOM 0 HG SER A 77 -13.206 0.689 -0.473 1.00 54.43 H new ATOM 1221 N LEU A 78 -9.962 1.551 3.409 1.00 45.44 N ATOM 1222 CA LEU A 78 -8.660 2.037 3.854 1.00 42.24 C ATOM 1223 C LEU A 78 -8.014 1.054 4.824 1.00 12.32 C ATOM 1224 O LEU A 78 -6.903 0.577 4.594 1.00 71.45 O ATOM 1225 CB LEU A 78 -8.804 3.407 4.519 1.00 42.51 C ATOM 1226 CG LEU A 78 -8.252 4.597 3.732 1.00 10.02 C ATOM 1227 CD1 LEU A 78 -6.817 4.332 3.301 1.00 12.32 C ATOM 1228 CD2 LEU A 78 -9.128 4.891 2.523 1.00 11.23 C ATOM 0 H LEU A 78 -10.752 2.114 3.724 1.00 45.44 H new ATOM 0 HA LEU A 78 -8.017 2.131 2.979 1.00 42.24 H new ATOM 0 HB2 LEU A 78 -9.862 3.585 4.713 1.00 42.51 H new ATOM 0 HB3 LEU A 78 -8.303 3.373 5.487 1.00 42.51 H new ATOM 0 HG LEU A 78 -8.260 5.472 4.382 1.00 10.02 H new ATOM 0 HD11 LEU A 78 -6.441 5.189 2.742 1.00 12.32 H new ATOM 0 HD12 LEU A 78 -6.196 4.172 4.182 1.00 12.32 H new ATOM 0 HD13 LEU A 78 -6.785 3.445 2.669 1.00 12.32 H new ATOM 0 HD21 LEU A 78 -8.720 5.741 1.976 1.00 11.23 H new ATOM 0 HD22 LEU A 78 -9.154 4.018 1.871 1.00 11.23 H new ATOM 0 HD23 LEU A 78 -10.139 5.126 2.855 1.00 11.23 H new ATOM 1240 N TYR A 79 -8.719 0.754 5.910 1.00 5.42 N ATOM 1241 CA TYR A 79 -8.214 -0.172 6.917 1.00 63.25 C ATOM 1242 C TYR A 79 -7.622 -1.418 6.263 1.00 43.44 C ATOM 1243 O TYR A 79 -6.515 -1.839 6.595 1.00 63.33 O ATOM 1244 CB TYR A 79 -9.334 -0.572 7.879 1.00 24.31 C ATOM 1245 CG TYR A 79 -8.837 -1.009 9.239 1.00 51.30 C ATOM 1246 CD1 TYR A 79 -8.373 -2.301 9.449 1.00 62.04 C ATOM 1247 CD2 TYR A 79 -8.830 -0.127 10.313 1.00 11.21 C ATOM 1248 CE1 TYR A 79 -7.918 -2.703 10.689 1.00 34.33 C ATOM 1249 CE2 TYR A 79 -8.377 -0.521 11.557 1.00 42.23 C ATOM 1250 CZ TYR A 79 -7.922 -1.810 11.741 1.00 73.12 C ATOM 1251 OH TYR A 79 -7.469 -2.208 12.978 1.00 45.44 O ATOM 0 H TYR A 79 -9.641 1.139 6.115 1.00 5.42 H new ATOM 0 HA TYR A 79 -7.426 0.333 7.476 1.00 63.25 H new ATOM 0 HB2 TYR A 79 -10.013 0.271 8.003 1.00 24.31 H new ATOM 0 HB3 TYR A 79 -9.911 -1.383 7.435 1.00 24.31 H new ATOM 0 HD1 TYR A 79 -8.368 -3.003 8.628 1.00 62.04 H new ATOM 0 HD2 TYR A 79 -9.185 0.883 10.173 1.00 11.21 H new ATOM 0 HE1 TYR A 79 -7.561 -3.712 10.835 1.00 34.33 H new ATOM 0 HE2 TYR A 79 -8.379 0.177 12.381 1.00 42.23 H new ATOM 0 HH TYR A 79 -6.781 -2.898 12.868 1.00 45.44 H new ATOM 1261 N ASN A 80 -8.369 -2.001 5.330 1.00 2.43 N ATOM 1262 CA ASN A 80 -7.919 -3.197 4.629 1.00 42.31 C ATOM 1263 C ASN A 80 -6.498 -3.019 4.106 1.00 65.04 C ATOM 1264 O ASN A 80 -5.558 -3.642 4.601 1.00 34.32 O ATOM 1265 CB ASN A 80 -8.865 -3.519 3.470 1.00 64.51 C ATOM 1266 CG ASN A 80 -9.968 -4.479 3.874 1.00 2.33 C ATOM 1267 OD1 ASN A 80 -10.224 -4.683 5.060 1.00 35.43 O ATOM 1268 ND2 ASN A 80 -10.628 -5.071 2.886 1.00 41.32 N ATOM 0 H ASN A 80 -9.288 -1.664 5.043 1.00 2.43 H new ATOM 0 HA ASN A 80 -7.925 -4.027 5.336 1.00 42.31 H new ATOM 0 HB2 ASN A 80 -9.309 -2.595 3.099 1.00 64.51 H new ATOM 0 HB3 ASN A 80 -8.294 -3.951 2.648 1.00 64.51 H new ATOM 0 HD21 ASN A 80 -11.382 -5.725 3.096 1.00 41.32 H new ATOM 0 HD22 ASN A 80 -10.381 -4.872 1.917 1.00 41.32 H new ATOM 1275 N THR A 81 -6.346 -2.162 3.100 1.00 22.21 N ATOM 1276 CA THR A 81 -5.040 -1.901 2.508 1.00 2.02 C ATOM 1277 C THR A 81 -4.009 -1.562 3.579 1.00 3.13 C ATOM 1278 O THR A 81 -2.968 -2.211 3.680 1.00 73.12 O ATOM 1279 CB THR A 81 -5.104 -0.748 1.490 1.00 73.43 C ATOM 1280 OG1 THR A 81 -6.016 -1.076 0.435 1.00 64.21 O ATOM 1281 CG2 THR A 81 -3.728 -0.462 0.907 1.00 2.43 C ATOM 0 H THR A 81 -7.112 -1.637 2.679 1.00 22.21 H new ATOM 0 HA THR A 81 -4.739 -2.813 1.993 1.00 2.02 H new ATOM 0 HB THR A 81 -5.454 0.145 2.008 1.00 73.43 H new ATOM 0 HG1 THR A 81 -6.052 -0.337 -0.208 1.00 64.21 H new ATOM 0 HG21 THR A 81 -3.799 0.356 0.191 1.00 2.43 H new ATOM 0 HG22 THR A 81 -3.044 -0.184 1.709 1.00 2.43 H new ATOM 0 HG23 THR A 81 -3.354 -1.353 0.404 1.00 2.43 H new ATOM 1289 N ILE A 82 -4.306 -0.541 4.376 1.00 32.14 N ATOM 1290 CA ILE A 82 -3.405 -0.116 5.441 1.00 52.03 C ATOM 1291 C ILE A 82 -2.803 -1.317 6.163 1.00 71.55 C ATOM 1292 O ILE A 82 -1.595 -1.376 6.391 1.00 4.31 O ATOM 1293 CB ILE A 82 -4.128 0.777 6.467 1.00 64.33 C ATOM 1294 CG1 ILE A 82 -4.596 2.075 5.806 1.00 33.32 C ATOM 1295 CG2 ILE A 82 -3.212 1.076 7.646 1.00 61.45 C ATOM 1296 CD1 ILE A 82 -5.652 2.810 6.601 1.00 12.23 C ATOM 0 H ILE A 82 -5.163 0.007 4.305 1.00 32.14 H new ATOM 0 HA ILE A 82 -2.608 0.459 4.970 1.00 52.03 H new ATOM 0 HB ILE A 82 -5.004 0.245 6.838 1.00 64.33 H new ATOM 0 HG12 ILE A 82 -3.737 2.731 5.664 1.00 33.32 H new ATOM 0 HG13 ILE A 82 -4.991 1.847 4.816 1.00 33.32 H new ATOM 0 HG21 ILE A 82 -3.736 1.708 8.363 1.00 61.45 H new ATOM 0 HG22 ILE A 82 -2.923 0.142 8.128 1.00 61.45 H new ATOM 0 HG23 ILE A 82 -2.320 1.592 7.292 1.00 61.45 H new ATOM 0 HD11 ILE A 82 -5.937 3.720 6.073 1.00 12.23 H new ATOM 0 HD12 ILE A 82 -6.527 2.171 6.721 1.00 12.23 H new ATOM 0 HD13 ILE A 82 -5.254 3.069 7.582 1.00 12.23 H new ATOM 1308 N ALA A 83 -3.653 -2.275 6.518 1.00 10.41 N ATOM 1309 CA ALA A 83 -3.205 -3.477 7.210 1.00 13.44 C ATOM 1310 C ALA A 83 -2.312 -4.326 6.313 1.00 70.41 C ATOM 1311 O ALA A 83 -1.335 -4.917 6.772 1.00 20.24 O ATOM 1312 CB ALA A 83 -4.401 -4.287 7.689 1.00 44.34 C ATOM 0 H ALA A 83 -4.656 -2.242 6.338 1.00 10.41 H new ATOM 0 HA ALA A 83 -2.618 -3.171 8.076 1.00 13.44 H new ATOM 0 HB1 ALA A 83 -4.052 -5.182 8.204 1.00 44.34 H new ATOM 0 HB2 ALA A 83 -4.998 -3.684 8.373 1.00 44.34 H new ATOM 0 HB3 ALA A 83 -5.011 -4.576 6.833 1.00 44.34 H new ATOM 1318 N VAL A 84 -2.655 -4.385 5.030 1.00 52.41 N ATOM 1319 CA VAL A 84 -1.884 -5.163 4.067 1.00 51.41 C ATOM 1320 C VAL A 84 -0.506 -4.549 3.843 1.00 75.55 C ATOM 1321 O VAL A 84 0.455 -5.254 3.535 1.00 45.14 O ATOM 1322 CB VAL A 84 -2.615 -5.265 2.715 1.00 43.34 C ATOM 1323 CG1 VAL A 84 -1.978 -6.336 1.843 1.00 25.32 C ATOM 1324 CG2 VAL A 84 -4.093 -5.549 2.929 1.00 51.21 C ATOM 0 H VAL A 84 -3.462 -3.903 4.633 1.00 52.41 H new ATOM 0 HA VAL A 84 -1.769 -6.163 4.486 1.00 51.41 H new ATOM 0 HB VAL A 84 -2.524 -4.309 2.199 1.00 43.34 H new ATOM 0 HG11 VAL A 84 -2.508 -6.394 0.892 1.00 25.32 H new ATOM 0 HG12 VAL A 84 -0.933 -6.084 1.662 1.00 25.32 H new ATOM 0 HG13 VAL A 84 -2.036 -7.299 2.349 1.00 25.32 H new ATOM 0 HG21 VAL A 84 -4.594 -5.618 1.963 1.00 51.21 H new ATOM 0 HG22 VAL A 84 -4.209 -6.491 3.466 1.00 51.21 H new ATOM 0 HG23 VAL A 84 -4.538 -4.742 3.512 1.00 51.21 H new ATOM 1334 N LEU A 85 -0.417 -3.233 4.000 1.00 32.34 N ATOM 1335 CA LEU A 85 0.844 -2.524 3.817 1.00 63.35 C ATOM 1336 C LEU A 85 1.745 -2.690 5.036 1.00 43.14 C ATOM 1337 O LEU A 85 2.932 -2.988 4.907 1.00 31.40 O ATOM 1338 CB LEU A 85 0.584 -1.039 3.557 1.00 70.42 C ATOM 1339 CG LEU A 85 1.823 -0.161 3.385 1.00 4.25 C ATOM 1340 CD1 LEU A 85 2.736 -0.731 2.310 1.00 11.54 C ATOM 1341 CD2 LEU A 85 1.421 1.267 3.045 1.00 4.51 C ATOM 0 H LEU A 85 -1.204 -2.635 4.254 1.00 32.34 H new ATOM 0 HA LEU A 85 1.352 -2.954 2.953 1.00 63.35 H new ATOM 0 HB2 LEU A 85 -0.028 -0.950 2.659 1.00 70.42 H new ATOM 0 HB3 LEU A 85 -0.005 -0.643 4.385 1.00 70.42 H new ATOM 0 HG LEU A 85 2.370 -0.148 4.328 1.00 4.25 H new ATOM 0 HD11 LEU A 85 3.613 -0.093 2.201 1.00 11.54 H new ATOM 0 HD12 LEU A 85 3.051 -1.735 2.595 1.00 11.54 H new ATOM 0 HD13 LEU A 85 2.199 -0.774 1.362 1.00 11.54 H new ATOM 0 HD21 LEU A 85 2.316 1.878 2.926 1.00 4.51 H new ATOM 0 HD22 LEU A 85 0.851 1.273 2.116 1.00 4.51 H new ATOM 0 HD23 LEU A 85 0.808 1.674 3.849 1.00 4.51 H new ATOM 1353 N TYR A 86 1.171 -2.495 6.219 1.00 45.33 N ATOM 1354 CA TYR A 86 1.923 -2.622 7.461 1.00 12.54 C ATOM 1355 C TYR A 86 2.779 -3.885 7.455 1.00 74.14 C ATOM 1356 O TYR A 86 3.949 -3.857 7.836 1.00 64.24 O ATOM 1357 CB TYR A 86 0.970 -2.645 8.658 1.00 41.25 C ATOM 1358 CG TYR A 86 1.608 -3.152 9.931 1.00 14.23 C ATOM 1359 CD1 TYR A 86 2.592 -2.417 10.580 1.00 53.45 C ATOM 1360 CD2 TYR A 86 1.226 -4.367 10.486 1.00 32.02 C ATOM 1361 CE1 TYR A 86 3.178 -2.877 11.743 1.00 42.23 C ATOM 1362 CE2 TYR A 86 1.805 -4.835 11.650 1.00 43.03 C ATOM 1363 CZ TYR A 86 2.781 -4.087 12.274 1.00 72.22 C ATOM 1364 OH TYR A 86 3.362 -4.548 13.433 1.00 73.22 O ATOM 0 H TYR A 86 0.189 -2.249 6.343 1.00 45.33 H new ATOM 0 HA TYR A 86 2.583 -1.759 7.545 1.00 12.54 H new ATOM 0 HB2 TYR A 86 0.590 -1.638 8.828 1.00 41.25 H new ATOM 0 HB3 TYR A 86 0.112 -3.273 8.417 1.00 41.25 H new ATOM 0 HD1 TYR A 86 2.904 -1.469 10.168 1.00 53.45 H new ATOM 0 HD2 TYR A 86 0.463 -4.956 9.999 1.00 32.02 H new ATOM 0 HE1 TYR A 86 3.942 -2.293 12.234 1.00 42.23 H new ATOM 0 HE2 TYR A 86 1.495 -5.781 12.069 1.00 43.03 H new ATOM 0 HH TYR A 86 2.970 -5.413 13.674 1.00 73.22 H new ATOM 1374 N CYS A 87 2.185 -4.991 7.019 1.00 44.14 N ATOM 1375 CA CYS A 87 2.891 -6.266 6.962 1.00 1.40 C ATOM 1376 C CYS A 87 4.057 -6.199 5.981 1.00 3.31 C ATOM 1377 O CYS A 87 5.164 -6.644 6.284 1.00 11.42 O ATOM 1378 CB CYS A 87 1.932 -7.386 6.557 1.00 34.11 C ATOM 1379 SG CYS A 87 1.033 -8.125 7.941 1.00 23.45 S ATOM 0 H CYS A 87 1.217 -5.030 6.700 1.00 44.14 H new ATOM 0 HA CYS A 87 3.287 -6.478 7.955 1.00 1.40 H new ATOM 0 HB2 CYS A 87 1.212 -6.992 5.839 1.00 34.11 H new ATOM 0 HB3 CYS A 87 2.497 -8.166 6.046 1.00 34.11 H new ATOM 0 HG CYS A 87 -0.237 -8.159 7.665 1.00 23.45 H new ATOM 1385 N VAL A 88 3.800 -5.640 4.803 1.00 44.15 N ATOM 1386 CA VAL A 88 4.827 -5.514 3.776 1.00 61.14 C ATOM 1387 C VAL A 88 6.110 -4.923 4.350 1.00 12.44 C ATOM 1388 O VAL A 88 7.150 -5.579 4.380 1.00 64.02 O ATOM 1389 CB VAL A 88 4.348 -4.634 2.606 1.00 52.24 C ATOM 1390 CG1 VAL A 88 5.466 -4.435 1.595 1.00 52.44 C ATOM 1391 CG2 VAL A 88 3.123 -5.248 1.945 1.00 1.34 C ATOM 0 H VAL A 88 2.889 -5.267 4.536 1.00 44.15 H new ATOM 0 HA VAL A 88 5.027 -6.519 3.406 1.00 61.14 H new ATOM 0 HB VAL A 88 4.069 -3.657 3.000 1.00 52.24 H new ATOM 0 HG11 VAL A 88 5.109 -3.811 0.776 1.00 52.44 H new ATOM 0 HG12 VAL A 88 6.312 -3.948 2.080 1.00 52.44 H new ATOM 0 HG13 VAL A 88 5.779 -5.403 1.204 1.00 52.44 H new ATOM 0 HG21 VAL A 88 2.798 -4.613 1.121 1.00 1.34 H new ATOM 0 HG22 VAL A 88 3.373 -6.238 1.564 1.00 1.34 H new ATOM 0 HG23 VAL A 88 2.319 -5.333 2.676 1.00 1.34 H new ATOM 1401 N HIS A 89 6.027 -3.677 4.808 1.00 40.25 N ATOM 1402 CA HIS A 89 7.181 -2.994 5.384 1.00 61.30 C ATOM 1403 C HIS A 89 7.784 -3.816 6.520 1.00 41.32 C ATOM 1404 O HIS A 89 8.994 -3.705 6.715 1.00 4.13 O ATOM 1405 CB HIS A 89 6.779 -1.611 5.896 1.00 12.14 C ATOM 1406 CG HIS A 89 6.260 -0.703 4.824 1.00 72.00 C ATOM 1407 ND1 HIS A 89 6.870 -0.561 3.597 1.00 60.34 N ATOM 1408 CD2 HIS A 89 5.180 0.112 4.801 1.00 73.45 C ATOM 1409 CE1 HIS A 89 6.188 0.301 2.865 1.00 41.45 C ATOM 1410 NE2 HIS A 89 5.156 0.724 3.573 1.00 45.13 N ATOM 0 H HIS A 89 5.173 -3.120 4.791 1.00 40.25 H new ATOM 0 HA HIS A 89 7.932 -2.878 4.603 1.00 61.30 H new ATOM 0 HB2 HIS A 89 6.015 -1.725 6.665 1.00 12.14 H new ATOM 0 HB3 HIS A 89 7.642 -1.143 6.371 1.00 12.14 H new ATOM 0 HD2 HIS A 89 4.469 0.254 5.601 1.00 73.45 H new ATOM 0 HE1 HIS A 89 6.432 0.608 1.859 1.00 41.45 H new ATOM 0 HE2 HIS A 89 4.456 1.396 3.258 1.00 45.13 H new ATOM 1419 N GLN A 90 7.001 -4.606 7.247 1.00 64.51 N ATOM 1420 CA GLN A 90 7.533 -5.408 8.343 1.00 41.00 C ATOM 1421 C GLN A 90 8.158 -6.697 7.820 1.00 30.45 C ATOM 1422 O GLN A 90 8.440 -7.618 8.589 1.00 0.33 O ATOM 1423 CB GLN A 90 6.428 -5.732 9.349 1.00 75.53 C ATOM 1424 CG GLN A 90 6.542 -4.956 10.650 1.00 24.54 C ATOM 1425 CD GLN A 90 7.558 -5.558 11.602 1.00 50.33 C ATOM 1426 OE1 GLN A 90 7.670 -6.779 11.718 1.00 53.13 O ATOM 1427 NE2 GLN A 90 8.306 -4.702 12.288 1.00 31.33 N ATOM 0 H GLN A 90 5.997 -4.708 7.097 1.00 64.51 H new ATOM 0 HA GLN A 90 8.309 -4.827 8.843 1.00 41.00 H new ATOM 0 HB2 GLN A 90 5.460 -5.521 8.894 1.00 75.53 H new ATOM 0 HB3 GLN A 90 6.451 -6.799 9.569 1.00 75.53 H new ATOM 0 HG2 GLN A 90 6.821 -3.926 10.431 1.00 24.54 H new ATOM 0 HG3 GLN A 90 5.567 -4.925 11.137 1.00 24.54 H new ATOM 0 HE21 GLN A 90 8.179 -3.698 12.160 1.00 31.33 H new ATOM 0 HE22 GLN A 90 9.007 -5.048 12.943 1.00 31.33 H new ATOM 1436 N ARG A 91 8.370 -6.758 6.511 1.00 44.13 N ATOM 1437 CA ARG A 91 8.959 -7.936 5.886 1.00 45.24 C ATOM 1438 C ARG A 91 7.939 -9.066 5.785 1.00 32.24 C ATOM 1439 O ARG A 91 8.236 -10.139 5.259 1.00 42.12 O ATOM 1440 CB ARG A 91 10.180 -8.405 6.680 1.00 32.25 C ATOM 1441 CG ARG A 91 11.313 -8.920 5.808 1.00 5.34 C ATOM 1442 CD ARG A 91 11.119 -10.385 5.450 1.00 51.45 C ATOM 1443 NE ARG A 91 12.318 -11.176 5.713 1.00 64.01 N ATOM 1444 CZ ARG A 91 13.413 -11.124 4.961 1.00 74.14 C ATOM 1445 NH1 ARG A 91 13.458 -10.321 3.906 1.00 21.43 N ATOM 1446 NH2 ARG A 91 14.463 -11.875 5.264 1.00 44.10 N ATOM 0 H ARG A 91 8.143 -6.005 5.861 1.00 44.13 H new ATOM 0 HA ARG A 91 9.273 -7.663 4.879 1.00 45.24 H new ATOM 0 HB2 ARG A 91 10.548 -7.578 7.287 1.00 32.25 H new ATOM 0 HB3 ARG A 91 9.875 -9.194 7.367 1.00 32.25 H new ATOM 0 HG2 ARG A 91 11.370 -8.326 4.896 1.00 5.34 H new ATOM 0 HG3 ARG A 91 12.261 -8.795 6.330 1.00 5.34 H new ATOM 0 HD2 ARG A 91 10.285 -10.791 6.022 1.00 51.45 H new ATOM 0 HD3 ARG A 91 10.854 -10.469 4.396 1.00 51.45 H new ATOM 0 HE ARG A 91 12.315 -11.803 6.518 1.00 64.01 H new ATOM 0 HH11 ARG A 91 12.652 -9.742 3.671 1.00 21.43 H new ATOM 0 HH12 ARG A 91 14.299 -10.282 3.330 1.00 21.43 H new ATOM 0 HH21 ARG A 91 14.431 -12.493 6.075 1.00 44.10 H new ATOM 0 HH22 ARG A 91 15.303 -11.834 4.686 1.00 44.10 H new ATOM 1460 N ILE A 92 6.738 -8.819 6.296 1.00 12.30 N ATOM 1461 CA ILE A 92 5.674 -9.815 6.263 1.00 63.12 C ATOM 1462 C ILE A 92 5.032 -9.889 4.882 1.00 41.53 C ATOM 1463 O ILE A 92 4.735 -8.864 4.269 1.00 54.43 O ATOM 1464 CB ILE A 92 4.585 -9.509 7.308 1.00 53.24 C ATOM 1465 CG1 ILE A 92 5.182 -9.509 8.716 1.00 64.44 C ATOM 1466 CG2 ILE A 92 3.454 -10.523 7.207 1.00 43.25 C ATOM 1467 CD1 ILE A 92 4.324 -8.798 9.738 1.00 71.15 C ATOM 0 H ILE A 92 6.477 -7.938 6.738 1.00 12.30 H new ATOM 0 HA ILE A 92 6.133 -10.775 6.499 1.00 63.12 H new ATOM 0 HB ILE A 92 4.179 -8.518 7.107 1.00 53.24 H new ATOM 0 HG12 ILE A 92 5.335 -10.539 9.036 1.00 64.44 H new ATOM 0 HG13 ILE A 92 6.163 -9.035 8.685 1.00 64.44 H new ATOM 0 HG21 ILE A 92 2.692 -10.294 7.952 1.00 43.25 H new ATOM 0 HG22 ILE A 92 3.013 -10.478 6.211 1.00 43.25 H new ATOM 0 HG23 ILE A 92 3.846 -11.524 7.386 1.00 43.25 H new ATOM 0 HD11 ILE A 92 4.810 -8.838 10.713 1.00 71.15 H new ATOM 0 HD12 ILE A 92 4.192 -7.758 9.441 1.00 71.15 H new ATOM 0 HD13 ILE A 92 3.351 -9.285 9.798 1.00 71.15 H new ATOM 1479 N ASP A 93 4.819 -11.108 4.399 1.00 51.44 N ATOM 1480 CA ASP A 93 4.209 -11.316 3.091 1.00 63.20 C ATOM 1481 C ASP A 93 2.866 -12.026 3.225 1.00 2.12 C ATOM 1482 O ASP A 93 2.575 -12.972 2.491 1.00 11.34 O ATOM 1483 CB ASP A 93 5.142 -12.130 2.193 1.00 3.31 C ATOM 1484 CG ASP A 93 4.818 -11.967 0.721 1.00 12.05 C ATOM 1485 OD1 ASP A 93 3.784 -11.340 0.408 1.00 71.52 O ATOM 1486 OD2 ASP A 93 5.598 -12.466 -0.117 1.00 13.12 O ATOM 0 H ASP A 93 5.060 -11.967 4.894 1.00 51.44 H new ATOM 0 HA ASP A 93 4.040 -10.340 2.637 1.00 63.20 H new ATOM 0 HB2 ASP A 93 6.172 -11.822 2.371 1.00 3.31 H new ATOM 0 HB3 ASP A 93 5.073 -13.184 2.463 1.00 3.31 H new ATOM 1491 N VAL A 94 2.049 -11.565 4.167 1.00 44.10 N ATOM 1492 CA VAL A 94 0.736 -12.155 4.398 1.00 63.35 C ATOM 1493 C VAL A 94 0.233 -12.878 3.154 1.00 71.35 C ATOM 1494 O VAL A 94 0.257 -12.331 2.051 1.00 44.25 O ATOM 1495 CB VAL A 94 -0.294 -11.088 4.810 1.00 14.05 C ATOM 1496 CG1 VAL A 94 -0.223 -10.826 6.307 1.00 62.23 C ATOM 1497 CG2 VAL A 94 -0.074 -9.804 4.025 1.00 53.51 C ATOM 0 H VAL A 94 2.274 -10.784 4.783 1.00 44.10 H new ATOM 0 HA VAL A 94 0.849 -12.872 5.211 1.00 63.35 H new ATOM 0 HB VAL A 94 -1.291 -11.462 4.578 1.00 14.05 H new ATOM 0 HG11 VAL A 94 -0.958 -10.069 6.579 1.00 62.23 H new ATOM 0 HG12 VAL A 94 -0.434 -11.748 6.848 1.00 62.23 H new ATOM 0 HG13 VAL A 94 0.775 -10.473 6.568 1.00 62.23 H new ATOM 0 HG21 VAL A 94 -0.811 -9.061 4.329 1.00 53.51 H new ATOM 0 HG22 VAL A 94 0.928 -9.424 4.223 1.00 53.51 H new ATOM 0 HG23 VAL A 94 -0.181 -10.006 2.959 1.00 53.51 H new ATOM 1507 N LYS A 95 -0.223 -14.112 3.337 1.00 52.11 N ATOM 1508 CA LYS A 95 -0.735 -14.912 2.231 1.00 71.14 C ATOM 1509 C LYS A 95 -1.954 -14.248 1.597 1.00 41.00 C ATOM 1510 O LYS A 95 -2.354 -14.595 0.486 1.00 51.41 O ATOM 1511 CB LYS A 95 -1.102 -16.317 2.716 1.00 51.10 C ATOM 1512 CG LYS A 95 -0.930 -17.391 1.656 1.00 53.44 C ATOM 1513 CD LYS A 95 0.035 -18.473 2.110 1.00 40.40 C ATOM 1514 CE LYS A 95 -0.625 -19.434 3.087 1.00 13.34 C ATOM 1515 NZ LYS A 95 0.058 -19.437 4.410 1.00 42.31 N ATOM 0 H LYS A 95 -0.248 -14.581 4.243 1.00 52.11 H new ATOM 0 HA LYS A 95 0.049 -14.987 1.478 1.00 71.14 H new ATOM 0 HB2 LYS A 95 -0.484 -16.567 3.578 1.00 51.10 H new ATOM 0 HB3 LYS A 95 -2.138 -16.316 3.055 1.00 51.10 H new ATOM 0 HG2 LYS A 95 -1.898 -17.838 1.429 1.00 53.44 H new ATOM 0 HG3 LYS A 95 -0.563 -16.939 0.735 1.00 53.44 H new ATOM 0 HD2 LYS A 95 0.398 -19.026 1.243 1.00 40.40 H new ATOM 0 HD3 LYS A 95 0.904 -18.013 2.581 1.00 40.40 H new ATOM 0 HE2 LYS A 95 -1.671 -19.156 3.219 1.00 13.34 H new ATOM 0 HE3 LYS A 95 -0.613 -20.441 2.670 1.00 13.34 H new ATOM 0 HZ1 LYS A 95 -0.422 -20.104 5.047 1.00 42.31 H new ATOM 0 HZ2 LYS A 95 1.049 -19.727 4.288 1.00 42.31 H new ATOM 0 HZ3 LYS A 95 0.024 -18.482 4.820 1.00 42.31 H new ATOM 1529 N ASP A 96 -2.538 -13.291 2.310 1.00 44.44 N ATOM 1530 CA ASP A 96 -3.709 -12.576 1.816 1.00 3.40 C ATOM 1531 C ASP A 96 -4.100 -11.451 2.769 1.00 73.23 C ATOM 1532 O ASP A 96 -3.458 -11.242 3.798 1.00 0.34 O ATOM 1533 CB ASP A 96 -4.882 -13.540 1.635 1.00 74.24 C ATOM 1534 CG ASP A 96 -4.987 -14.544 2.767 1.00 45.15 C ATOM 1535 OD1 ASP A 96 -5.156 -14.115 3.927 1.00 2.04 O ATOM 1536 OD2 ASP A 96 -4.900 -15.759 2.491 1.00 5.01 O ATOM 0 H ASP A 96 -2.220 -12.993 3.232 1.00 44.44 H new ATOM 0 HA ASP A 96 -3.457 -12.138 0.850 1.00 3.40 H new ATOM 0 HB2 ASP A 96 -5.809 -12.971 1.571 1.00 74.24 H new ATOM 0 HB3 ASP A 96 -4.769 -14.072 0.691 1.00 74.24 H new ATOM 1541 N THR A 97 -5.160 -10.728 2.419 1.00 45.32 N ATOM 1542 CA THR A 97 -5.636 -9.623 3.241 1.00 31.40 C ATOM 1543 C THR A 97 -6.249 -10.130 4.542 1.00 53.41 C ATOM 1544 O THR A 97 -6.472 -9.361 5.477 1.00 54.45 O ATOM 1545 CB THR A 97 -6.681 -8.774 2.491 1.00 20.23 C ATOM 1546 OG1 THR A 97 -6.123 -8.279 1.269 1.00 12.12 O ATOM 1547 CG2 THR A 97 -7.149 -7.609 3.351 1.00 32.41 C ATOM 0 H THR A 97 -5.705 -10.888 1.572 1.00 45.32 H new ATOM 0 HA THR A 97 -4.770 -9.002 3.468 1.00 31.40 H new ATOM 0 HB THR A 97 -7.540 -9.407 2.267 1.00 20.23 H new ATOM 0 HG1 THR A 97 -5.631 -8.997 0.820 1.00 12.12 H new ATOM 0 HG21 THR A 97 -7.886 -7.024 2.801 1.00 32.41 H new ATOM 0 HG22 THR A 97 -7.599 -7.991 4.267 1.00 32.41 H new ATOM 0 HG23 THR A 97 -6.297 -6.977 3.602 1.00 32.41 H new ATOM 1555 N LYS A 98 -6.519 -11.430 4.596 1.00 43.21 N ATOM 1556 CA LYS A 98 -7.104 -12.041 5.783 1.00 34.21 C ATOM 1557 C LYS A 98 -6.053 -12.230 6.872 1.00 3.44 C ATOM 1558 O LYS A 98 -6.218 -11.754 7.995 1.00 31.04 O ATOM 1559 CB LYS A 98 -7.735 -13.390 5.429 1.00 21.14 C ATOM 1560 CG LYS A 98 -8.747 -13.875 6.453 1.00 73.22 C ATOM 1561 CD LYS A 98 -10.167 -13.519 6.045 1.00 3.21 C ATOM 1562 CE LYS A 98 -11.073 -14.740 6.057 1.00 72.14 C ATOM 1563 NZ LYS A 98 -12.488 -14.384 5.760 1.00 51.50 N ATOM 0 H LYS A 98 -6.342 -12.081 3.831 1.00 43.21 H new ATOM 0 HA LYS A 98 -7.878 -11.373 6.161 1.00 34.21 H new ATOM 0 HB2 LYS A 98 -8.223 -13.310 4.458 1.00 21.14 H new ATOM 0 HB3 LYS A 98 -6.946 -14.136 5.329 1.00 21.14 H new ATOM 0 HG2 LYS A 98 -8.660 -14.955 6.568 1.00 73.22 H new ATOM 0 HG3 LYS A 98 -8.524 -13.432 7.424 1.00 73.22 H new ATOM 0 HD2 LYS A 98 -10.563 -12.764 6.724 1.00 3.21 H new ATOM 0 HD3 LYS A 98 -10.161 -13.079 5.048 1.00 3.21 H new ATOM 0 HE2 LYS A 98 -10.718 -15.462 5.322 1.00 72.14 H new ATOM 0 HE3 LYS A 98 -11.017 -15.224 7.032 1.00 72.14 H new ATOM 0 HZ1 LYS A 98 -13.073 -15.244 5.778 1.00 51.50 H new ATOM 0 HZ2 LYS A 98 -12.835 -13.714 6.476 1.00 51.50 H new ATOM 0 HZ3 LYS A 98 -12.545 -13.945 4.819 1.00 51.50 H new ATOM 1577 N GLU A 99 -4.973 -12.926 6.532 1.00 21.23 N ATOM 1578 CA GLU A 99 -3.895 -13.176 7.482 1.00 33.21 C ATOM 1579 C GLU A 99 -3.325 -11.865 8.015 1.00 32.31 C ATOM 1580 O GLU A 99 -2.731 -11.827 9.093 1.00 71.21 O ATOM 1581 CB GLU A 99 -2.785 -13.999 6.824 1.00 52.23 C ATOM 1582 CG GLU A 99 -1.767 -14.545 7.809 1.00 25.15 C ATOM 1583 CD GLU A 99 -2.083 -15.960 8.251 1.00 23.13 C ATOM 1584 OE1 GLU A 99 -2.016 -16.876 7.406 1.00 50.15 O ATOM 1585 OE2 GLU A 99 -2.398 -16.152 9.445 1.00 44.01 O ATOM 0 H GLU A 99 -4.821 -13.327 5.606 1.00 21.23 H new ATOM 0 HA GLU A 99 -4.306 -13.740 8.319 1.00 33.21 H new ATOM 0 HB2 GLU A 99 -3.234 -14.830 6.281 1.00 52.23 H new ATOM 0 HB3 GLU A 99 -2.271 -13.379 6.090 1.00 52.23 H new ATOM 0 HG2 GLU A 99 -0.778 -14.524 7.352 1.00 25.15 H new ATOM 0 HG3 GLU A 99 -1.729 -13.895 8.683 1.00 25.15 H new ATOM 1592 N ALA A 100 -3.509 -10.793 7.251 1.00 20.14 N ATOM 1593 CA ALA A 100 -3.014 -9.480 7.647 1.00 63.21 C ATOM 1594 C ALA A 100 -3.873 -8.881 8.755 1.00 70.03 C ATOM 1595 O ALA A 100 -3.361 -8.243 9.675 1.00 45.33 O ATOM 1596 CB ALA A 100 -2.973 -8.549 6.444 1.00 4.33 C ATOM 0 H ALA A 100 -3.997 -10.808 6.355 1.00 20.14 H new ATOM 0 HA ALA A 100 -2.002 -9.600 8.034 1.00 63.21 H new ATOM 0 HB1 ALA A 100 -2.602 -7.572 6.753 1.00 4.33 H new ATOM 0 HB2 ALA A 100 -2.311 -8.965 5.684 1.00 4.33 H new ATOM 0 HB3 ALA A 100 -3.977 -8.442 6.032 1.00 4.33 H new ATOM 1602 N LEU A 101 -5.182 -9.088 8.660 1.00 45.22 N ATOM 1603 CA LEU A 101 -6.113 -8.568 9.655 1.00 42.51 C ATOM 1604 C LEU A 101 -6.238 -9.523 10.837 1.00 54.04 C ATOM 1605 O LEU A 101 -6.731 -9.149 11.902 1.00 62.15 O ATOM 1606 CB LEU A 101 -7.486 -8.335 9.023 1.00 33.24 C ATOM 1607 CG LEU A 101 -8.135 -6.980 9.307 1.00 51.31 C ATOM 1608 CD1 LEU A 101 -8.200 -6.721 10.804 1.00 61.23 C ATOM 1609 CD2 LEU A 101 -7.371 -5.866 8.605 1.00 64.35 C ATOM 0 H LEU A 101 -5.622 -9.612 7.904 1.00 45.22 H new ATOM 0 HA LEU A 101 -5.723 -7.618 10.021 1.00 42.51 H new ATOM 0 HB2 LEU A 101 -7.391 -8.451 7.943 1.00 33.24 H new ATOM 0 HB3 LEU A 101 -8.161 -9.118 9.369 1.00 33.24 H new ATOM 0 HG LEU A 101 -9.153 -6.998 8.918 1.00 51.31 H new ATOM 0 HD11 LEU A 101 -8.665 -5.752 10.986 1.00 61.23 H new ATOM 0 HD12 LEU A 101 -8.790 -7.502 11.283 1.00 61.23 H new ATOM 0 HD13 LEU A 101 -7.192 -6.723 11.218 1.00 61.23 H new ATOM 0 HD21 LEU A 101 -7.847 -4.909 8.818 1.00 64.35 H new ATOM 0 HD22 LEU A 101 -6.342 -5.848 8.964 1.00 64.35 H new ATOM 0 HD23 LEU A 101 -7.377 -6.043 7.529 1.00 64.35 H new ATOM 1621 N ASP A 102 -5.787 -10.757 10.643 1.00 71.13 N ATOM 1622 CA ASP A 102 -5.846 -11.767 11.694 1.00 64.24 C ATOM 1623 C ASP A 102 -4.511 -11.869 12.425 1.00 42.43 C ATOM 1624 O ASP A 102 -4.328 -12.726 13.289 1.00 63.45 O ATOM 1625 CB ASP A 102 -6.224 -13.127 11.104 1.00 44.34 C ATOM 1626 CG ASP A 102 -7.662 -13.170 10.625 1.00 44.10 C ATOM 1627 OD1 ASP A 102 -8.370 -12.154 10.781 1.00 71.54 O ATOM 1628 OD2 ASP A 102 -8.077 -14.221 10.092 1.00 4.22 O ATOM 0 H ASP A 102 -5.376 -11.083 9.768 1.00 71.13 H new ATOM 0 HA ASP A 102 -6.610 -11.466 12.411 1.00 64.24 H new ATOM 0 HB2 ASP A 102 -5.559 -13.356 10.271 1.00 44.34 H new ATOM 0 HB3 ASP A 102 -6.071 -13.901 11.856 1.00 44.34 H new ATOM 1633 N LYS A 103 -3.580 -10.989 12.071 1.00 74.21 N ATOM 1634 CA LYS A 103 -2.260 -10.979 12.692 1.00 54.31 C ATOM 1635 C LYS A 103 -2.044 -9.694 13.487 1.00 71.43 C ATOM 1636 O LYS A 103 -1.310 -9.683 14.476 1.00 0.20 O ATOM 1637 CB LYS A 103 -1.172 -11.121 11.626 1.00 23.33 C ATOM 1638 CG LYS A 103 0.217 -11.338 12.202 1.00 42.21 C ATOM 1639 CD LYS A 103 0.677 -12.775 12.027 1.00 73.03 C ATOM 1640 CE LYS A 103 0.175 -13.662 13.157 1.00 3.25 C ATOM 1641 NZ LYS A 103 -1.148 -14.268 12.842 1.00 11.54 N ATOM 0 H LYS A 103 -3.715 -10.273 11.357 1.00 74.21 H new ATOM 0 HA LYS A 103 -2.201 -11.824 13.377 1.00 54.31 H new ATOM 0 HB2 LYS A 103 -1.421 -11.958 10.974 1.00 23.33 H new ATOM 0 HB3 LYS A 103 -1.163 -10.225 11.006 1.00 23.33 H new ATOM 0 HG2 LYS A 103 0.923 -10.667 11.713 1.00 42.21 H new ATOM 0 HG3 LYS A 103 0.216 -11.082 13.262 1.00 42.21 H new ATOM 0 HD2 LYS A 103 0.317 -13.160 11.073 1.00 73.03 H new ATOM 0 HD3 LYS A 103 1.766 -12.808 11.993 1.00 73.03 H new ATOM 0 HE2 LYS A 103 0.900 -14.453 13.347 1.00 3.25 H new ATOM 0 HE3 LYS A 103 0.097 -13.075 14.072 1.00 3.25 H new ATOM 0 HZ1 LYS A 103 -1.833 -14.011 13.581 1.00 11.54 H new ATOM 0 HZ2 LYS A 103 -1.482 -13.914 11.923 1.00 11.54 H new ATOM 0 HZ3 LYS A 103 -1.055 -15.303 12.802 1.00 11.54 H new