USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 80 ASN : amide:sc= -2.52 K(o=-3.2,f=-6.7!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -0.688 USER MOD Set 2.1: A 29 TYR OH : rot 15:sc= -1.7 USER MOD Set 2.2: A 81 THR OG1 : rot 85:sc= 0.746 USER MOD Single : A 6 SER OG : rot -60:sc= 0.262 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+ -165:sc=-0.00711 (180deg=-0.187) 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= -0.125 K(o=-0.13,f=-3.7!) 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 HE2:sc= -3.71! C(o=-3.7!,f=-5!) USER MOD Single : A 38 SER OG : rot -52:sc= 0.722 USER MOD Single : A 47 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot -64:sc= 0.75 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 88:sc= -6.58 USER MOD Single : A 59 GLN : amide:sc= -0.0635 K(o=-0.063,f=-1.2) USER MOD Single : A 63 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00553 K(o=-0.0055,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= -0.228 USER MOD Single : A 69 GLN : amide:sc= -3.21! C(o=-3.2!,f=-6!) USER MOD Single : A 70 THR OG1 : rot -64:sc= 1.1 USER MOD Single : A 72 SER OG : rot 180:sc= 0.385 USER MOD Single : A 77 SER OG : rot -96:sc= 0.539 USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 86 TYR OH : rot 111:sc= -1.1 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.74 USER MOD Single : A 89 HIS : no HD1:sc= -13.5! C(o=-13!,f=-19!) USER MOD Single : A 90 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.68) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.259 6.740 -3.174 1.00 0.00 N ATOM 95 CA SER A 6 -6.283 6.223 -4.530 1.00 0.00 C ATOM 96 C SER A 6 -5.291 5.066 -4.668 1.00 0.00 C ATOM 97 O SER A 6 -4.359 5.135 -5.467 1.00 0.00 O ATOM 98 CB SER A 6 -5.961 7.322 -5.545 1.00 0.00 C ATOM 99 OG SER A 6 -7.137 7.962 -6.031 1.00 0.00 O ATOM 0 HA SER A 6 -7.289 5.857 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.310 8.064 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.410 6.892 -6.382 1.00 0.00 H new ATOM 0 HG SER A 6 -7.714 7.300 -6.465 1.00 0.00 H new ATOM 105 N VAL A 7 -5.525 4.030 -3.874 1.00 0.00 N ATOM 106 CA VAL A 7 -4.663 2.861 -3.897 1.00 0.00 C ATOM 107 C VAL A 7 -5.526 1.598 -3.869 1.00 0.00 C ATOM 108 O VAL A 7 -5.351 0.705 -4.697 1.00 0.00 O ATOM 109 CB VAL A 7 -3.662 2.927 -2.742 1.00 0.00 C ATOM 110 CG1 VAL A 7 -2.838 1.641 -2.657 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.756 4.152 -2.871 1.00 0.00 C ATOM 0 H VAL A 7 -6.299 3.977 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.077 2.835 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.226 3.025 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.134 1.714 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.503 0.793 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.289 1.499 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.054 4.175 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.204 4.099 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.364 5.057 -2.859 1.00 0.00 H new ATOM 121 N LEU A 8 -6.437 1.562 -2.908 1.00 0.00 N ATOM 122 CA LEU A 8 -7.326 0.422 -2.763 1.00 0.00 C ATOM 123 C LEU A 8 -8.706 0.912 -2.315 1.00 0.00 C ATOM 124 O LEU A 8 -8.812 1.753 -1.425 1.00 0.00 O ATOM 125 CB LEU A 8 -6.712 -0.621 -1.827 1.00 0.00 C ATOM 126 CG LEU A 8 -5.188 -0.745 -1.870 1.00 0.00 C ATOM 127 CD1 LEU A 8 -4.640 -1.248 -0.532 1.00 0.00 C ATOM 128 CD2 LEU A 8 -4.741 -1.625 -3.038 1.00 0.00 C ATOM 0 H LEU A 8 -6.579 2.304 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.459 -0.081 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.009 -0.383 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.143 -1.593 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.770 0.248 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.554 -1.327 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.911 -0.548 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.064 -2.227 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.653 -1.696 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.169 -2.621 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.082 -1.186 -3.976 1.00 0.00 H new ATOM 140 N SER A 9 -9.728 0.363 -2.955 1.00 0.00 N ATOM 141 CA SER A 9 -11.097 0.732 -2.636 1.00 0.00 C ATOM 142 C SER A 9 -11.331 0.617 -1.128 1.00 0.00 C ATOM 143 O SER A 9 -10.410 0.304 -0.375 1.00 0.00 O ATOM 144 CB SER A 9 -12.096 -0.141 -3.397 1.00 0.00 C ATOM 145 OG SER A 9 -13.111 0.635 -4.028 1.00 0.00 O ATOM 0 H SER A 9 -9.635 -0.335 -3.693 1.00 0.00 H new ATOM 0 HA SER A 9 -11.253 1.766 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.567 -0.726 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.557 -0.849 -2.708 1.00 0.00 H new ATOM 0 HG SER A 9 -13.728 0.041 -4.505 1.00 0.00 H new ATOM 151 N GLY A 10 -12.569 0.877 -0.733 1.00 0.00 N ATOM 152 CA GLY A 10 -12.936 0.805 0.672 1.00 0.00 C ATOM 153 C GLY A 10 -12.643 -0.581 1.246 1.00 0.00 C ATOM 154 O GLY A 10 -11.906 -0.710 2.222 1.00 0.00 O ATOM 0 H GLY A 10 -13.330 1.138 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.385 1.559 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.996 1.033 0.787 1.00 0.00 H new ATOM 158 N GLY A 11 -13.236 -1.585 0.615 1.00 0.00 N ATOM 159 CA GLY A 11 -13.048 -2.959 1.051 1.00 0.00 C ATOM 160 C GLY A 11 -11.580 -3.375 0.931 1.00 0.00 C ATOM 161 O GLY A 11 -11.032 -3.995 1.841 1.00 0.00 O ATOM 0 H GLY A 11 -13.847 -1.474 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.377 -3.065 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.669 -3.623 0.450 1.00 0.00 H new ATOM 165 N GLU A 12 -10.986 -3.019 -0.198 1.00 0.00 N ATOM 166 CA GLU A 12 -9.594 -3.347 -0.448 1.00 0.00 C ATOM 167 C GLU A 12 -8.697 -2.699 0.608 1.00 0.00 C ATOM 168 O GLU A 12 -7.647 -3.239 0.953 1.00 0.00 O ATOM 169 CB GLU A 12 -9.175 -2.925 -1.857 1.00 0.00 C ATOM 170 CG GLU A 12 -10.163 -3.447 -2.903 1.00 0.00 C ATOM 171 CD GLU A 12 -9.498 -4.478 -3.818 1.00 0.00 C ATOM 172 OE1 GLU A 12 -8.965 -5.466 -3.268 1.00 0.00 O ATOM 173 OE2 GLU A 12 -9.537 -4.254 -5.048 1.00 0.00 O ATOM 0 H GLU A 12 -11.445 -2.506 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.479 -4.429 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.121 -1.838 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.177 -3.306 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.021 -3.898 -2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.540 -2.616 -3.499 1.00 0.00 H new ATOM 180 N LEU A 13 -9.144 -1.549 1.093 1.00 0.00 N ATOM 181 CA LEU A 13 -8.395 -0.821 2.103 1.00 0.00 C ATOM 182 C LEU A 13 -8.507 -1.555 3.441 1.00 0.00 C ATOM 183 O LEU A 13 -7.512 -1.729 4.142 1.00 0.00 O ATOM 184 CB LEU A 13 -8.852 0.638 2.161 1.00 0.00 C ATOM 185 CG LEU A 13 -7.927 1.601 2.907 1.00 0.00 C ATOM 186 CD1 LEU A 13 -7.518 1.029 4.265 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.713 1.967 2.050 1.00 0.00 C ATOM 0 H LEU A 13 -10.015 -1.104 0.805 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.337 -0.789 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.974 1.001 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.835 0.672 2.631 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.477 2.522 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.861 1.734 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.408 0.860 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.994 0.085 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.071 2.653 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.154 1.064 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.048 2.446 1.130 1.00 0.00 H new ATOM 199 N ASP A 14 -9.728 -1.964 3.756 1.00 0.00 N ATOM 200 CA ASP A 14 -9.982 -2.673 4.997 1.00 0.00 C ATOM 201 C ASP A 14 -9.157 -3.962 5.022 1.00 0.00 C ATOM 202 O ASP A 14 -8.487 -4.255 6.011 1.00 0.00 O ATOM 203 CB ASP A 14 -11.458 -3.055 5.121 1.00 0.00 C ATOM 204 CG ASP A 14 -11.953 -3.272 6.553 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.367 -2.638 7.457 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.905 -4.065 6.710 1.00 0.00 O ATOM 0 H ASP A 14 -10.552 -1.817 3.172 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.709 -2.016 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.060 -2.272 4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.630 -3.968 4.551 1.00 0.00 H new ATOM 211 N LYS A 15 -9.233 -4.697 3.922 1.00 0.00 N ATOM 212 CA LYS A 15 -8.502 -5.946 3.804 1.00 0.00 C ATOM 213 C LYS A 15 -7.002 -5.652 3.752 1.00 0.00 C ATOM 214 O LYS A 15 -6.198 -6.408 4.296 1.00 0.00 O ATOM 215 CB LYS A 15 -9.012 -6.756 2.611 1.00 0.00 C ATOM 216 CG LYS A 15 -10.188 -7.647 3.014 1.00 0.00 C ATOM 217 CD LYS A 15 -9.962 -9.091 2.560 1.00 0.00 C ATOM 218 CE LYS A 15 -9.669 -10.001 3.754 1.00 0.00 C ATOM 219 NZ LYS A 15 -10.906 -10.671 4.213 1.00 0.00 N ATOM 0 H LYS A 15 -9.790 -4.451 3.104 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.674 -6.571 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.320 -6.080 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.205 -7.371 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.317 -7.618 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.108 -7.263 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.844 -9.452 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.130 -9.129 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.926 -10.748 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.242 -9.416 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.688 -11.285 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.603 -9.954 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.297 -11.246 3.439 1.00 0.00 H new ATOM 233 N TRP A 16 -6.670 -4.552 3.093 1.00 0.00 N ATOM 234 CA TRP A 16 -5.280 -4.147 2.963 1.00 0.00 C ATOM 235 C TRP A 16 -4.695 -4.006 4.369 1.00 0.00 C ATOM 236 O TRP A 16 -3.550 -4.386 4.609 1.00 0.00 O ATOM 237 CB TRP A 16 -5.157 -2.867 2.133 1.00 0.00 C ATOM 238 CG TRP A 16 -4.007 -1.955 2.564 1.00 0.00 C ATOM 239 CD1 TRP A 16 -4.045 -0.934 3.431 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.640 -2.022 2.110 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.807 -0.340 3.568 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.925 -1.023 2.739 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.026 -2.898 1.197 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.558 -0.806 2.524 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.660 -2.668 0.992 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.074 -1.667 1.618 1.00 0.00 C ATOM 0 H TRP A 16 -7.340 -3.928 2.643 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.708 -4.901 2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.020 -3.137 1.086 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.092 -2.311 2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.933 -0.616 3.957 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.581 0.454 4.167 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.566 -3.686 0.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.020 -0.017 3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.140 -3.313 0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.127 -1.554 1.407 1.00 0.00 H new ATOM 257 N GLU A 17 -5.507 -3.460 5.262 1.00 0.00 N ATOM 258 CA GLU A 17 -5.084 -3.264 6.638 1.00 0.00 C ATOM 259 C GLU A 17 -5.430 -4.494 7.479 1.00 0.00 C ATOM 260 O GLU A 17 -5.789 -4.368 8.649 1.00 0.00 O ATOM 261 CB GLU A 17 -5.712 -2.000 7.229 1.00 0.00 C ATOM 262 CG GLU A 17 -7.235 -2.122 7.293 1.00 0.00 C ATOM 263 CD GLU A 17 -7.855 -0.908 7.987 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.653 0.210 7.464 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.517 -1.124 9.025 1.00 0.00 O ATOM 0 H GLU A 17 -6.456 -3.147 5.059 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.002 -3.132 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.315 -1.826 8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.438 -1.136 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.638 -2.214 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.508 -3.031 7.830 1.00 0.00 H new ATOM 272 N LYS A 18 -5.308 -5.654 6.851 1.00 0.00 N ATOM 273 CA LYS A 18 -5.603 -6.905 7.528 1.00 0.00 C ATOM 274 C LYS A 18 -4.323 -7.737 7.634 1.00 0.00 C ATOM 275 O LYS A 18 -4.297 -8.757 8.320 1.00 0.00 O ATOM 276 CB LYS A 18 -6.754 -7.634 6.830 1.00 0.00 C ATOM 277 CG LYS A 18 -7.692 -8.282 7.850 1.00 0.00 C ATOM 278 CD LYS A 18 -8.772 -9.111 7.152 1.00 0.00 C ATOM 279 CE LYS A 18 -9.668 -9.814 8.174 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.918 -10.878 8.876 1.00 0.00 N ATOM 0 H LYS A 18 -5.009 -5.754 5.881 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.946 -6.716 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.313 -6.931 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.354 -8.397 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.119 -8.919 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.159 -7.510 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.377 -8.465 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.305 -9.851 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.044 -9.089 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.535 -10.243 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.585 -11.504 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.371 -11.431 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.270 -10.448 9.566 1.00 0.00 H new ATOM 294 N ILE A 19 -3.294 -7.270 6.944 1.00 0.00 N ATOM 295 CA ILE A 19 -2.013 -7.956 6.953 1.00 0.00 C ATOM 296 C ILE A 19 -1.185 -7.468 8.142 1.00 0.00 C ATOM 297 O ILE A 19 -1.238 -6.292 8.500 1.00 0.00 O ATOM 298 CB ILE A 19 -1.309 -7.794 5.604 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.124 -8.434 4.479 1.00 0.00 C ATOM 300 CG2 ILE A 19 0.118 -8.342 5.661 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.886 -7.373 3.681 1.00 0.00 C ATOM 0 H ILE A 19 -3.321 -6.424 6.374 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.157 -9.028 7.085 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.237 -6.729 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.461 -8.987 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.827 -9.153 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.596 -8.215 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.685 -7.801 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.091 -9.401 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.457 -7.855 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.566 -6.838 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.178 -6.669 3.243 1.00 0.00 H new ATOM 313 N ARG A 20 -0.436 -8.396 8.721 1.00 0.00 N ATOM 314 CA ARG A 20 0.404 -8.075 9.863 1.00 0.00 C ATOM 315 C ARG A 20 1.861 -7.918 9.424 1.00 0.00 C ATOM 316 O ARG A 20 2.292 -8.545 8.459 1.00 0.00 O ATOM 317 CB ARG A 20 0.316 -9.163 10.935 1.00 0.00 C ATOM 318 CG ARG A 20 -1.057 -9.158 11.610 1.00 0.00 C ATOM 319 CD ARG A 20 -0.970 -9.706 13.036 1.00 0.00 C ATOM 320 NE ARG A 20 -1.447 -11.107 13.070 1.00 0.00 N ATOM 321 CZ ARG A 20 -2.719 -11.473 12.861 1.00 0.00 C ATOM 322 NH1 ARG A 20 -3.648 -10.544 12.601 1.00 0.00 N ATOM 323 NH2 ARG A 20 -3.060 -12.768 12.911 1.00 0.00 N ATOM 0 H ARG A 20 -0.393 -9.370 8.421 1.00 0.00 H new ATOM 0 HA ARG A 20 0.045 -7.136 10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.500 -10.138 10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.093 -9.006 11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.452 -8.142 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.755 -9.760 11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.059 -9.655 13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.570 -9.092 13.708 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.765 -11.840 13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.387 -9.559 12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.616 -10.822 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.351 -13.475 13.108 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.028 -13.047 12.752 1.00 0.00 H new ATOM 337 N LEU A 21 2.578 -7.075 10.154 1.00 0.00 N ATOM 338 CA LEU A 21 3.977 -6.829 9.851 1.00 0.00 C ATOM 339 C LEU A 21 4.833 -7.928 10.484 1.00 0.00 C ATOM 340 O LEU A 21 5.824 -8.362 9.897 1.00 0.00 O ATOM 341 CB LEU A 21 4.376 -5.415 10.279 1.00 0.00 C ATOM 342 CG LEU A 21 3.320 -4.327 10.070 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.692 -3.050 10.825 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.091 -4.066 8.580 1.00 0.00 C ATOM 0 H LEU A 21 2.216 -6.555 10.953 1.00 0.00 H new ATOM 0 HA LEU A 21 4.148 -6.872 8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.641 -5.438 11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.275 -5.131 9.731 1.00 0.00 H new ATOM 0 HG LEU A 21 2.376 -4.682 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.925 -2.293 10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.765 -3.266 11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.651 -2.680 10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.336 -3.289 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.024 -3.741 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.749 -4.982 8.098 1.00 0.00 H new ATOM 356 N ARG A 22 4.420 -8.344 11.671 1.00 0.00 N ATOM 357 CA ARG A 22 5.137 -9.385 12.390 1.00 0.00 C ATOM 358 C ARG A 22 4.375 -10.709 12.305 1.00 0.00 C ATOM 359 O ARG A 22 3.153 -10.719 12.166 1.00 0.00 O ATOM 360 CB ARG A 22 5.328 -9.007 13.860 1.00 0.00 C ATOM 361 CG ARG A 22 6.324 -7.855 14.005 1.00 0.00 C ATOM 362 CD ARG A 22 7.233 -8.065 15.217 1.00 0.00 C ATOM 363 NE ARG A 22 8.464 -8.778 14.809 1.00 0.00 N ATOM 364 CZ ARG A 22 9.553 -8.174 14.315 1.00 0.00 C ATOM 365 NH1 ARG A 22 9.572 -6.842 14.164 1.00 0.00 N ATOM 366 NH2 ARG A 22 10.625 -8.901 13.971 1.00 0.00 N ATOM 0 H ARG A 22 3.599 -7.980 12.154 1.00 0.00 H new ATOM 0 HA ARG A 22 6.117 -9.495 11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.370 -8.720 14.293 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.684 -9.873 14.418 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.929 -7.777 13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.784 -6.914 14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.490 -7.103 15.660 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.708 -8.638 15.981 1.00 0.00 H new ATOM 0 HE ARG A 22 8.485 -9.793 14.910 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.757 -6.287 14.425 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.402 -6.383 13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.612 -9.914 14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.454 -8.441 13.595 1.00 0.00 H new ATOM 380 N PRO A 23 5.150 -11.824 12.395 1.00 0.00 N ATOM 381 CA PRO A 23 4.561 -13.151 12.331 1.00 0.00 C ATOM 382 C PRO A 23 3.848 -13.499 13.639 1.00 0.00 C ATOM 383 O PRO A 23 2.807 -14.153 13.628 1.00 0.00 O ATOM 384 CB PRO A 23 5.722 -14.082 12.022 1.00 0.00 C ATOM 385 CG PRO A 23 6.982 -13.311 12.383 1.00 0.00 C ATOM 386 CD PRO A 23 6.600 -11.850 12.560 1.00 0.00 C ATOM 0 HA PRO A 23 3.788 -13.231 11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.649 -15.003 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.726 -14.366 10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.421 -13.705 13.300 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.732 -13.417 11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.894 -11.480 13.542 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.094 -11.219 11.821 1.00 0.00 H new ATOM 394 N GLY A 24 4.438 -13.046 14.735 1.00 0.00 N ATOM 395 CA GLY A 24 3.872 -13.301 16.049 1.00 0.00 C ATOM 396 C GLY A 24 2.849 -12.226 16.425 1.00 0.00 C ATOM 397 O GLY A 24 2.136 -12.362 17.417 1.00 0.00 O ATOM 0 H GLY A 24 5.302 -12.504 14.740 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.395 -14.281 16.059 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.668 -13.326 16.793 1.00 0.00 H new ATOM 401 N GLY A 25 2.812 -11.181 15.610 1.00 0.00 N ATOM 402 CA GLY A 25 1.889 -10.083 15.844 1.00 0.00 C ATOM 403 C GLY A 25 2.644 -8.794 16.175 1.00 0.00 C ATOM 404 O GLY A 25 3.848 -8.821 16.425 1.00 0.00 O ATOM 0 H GLY A 25 3.406 -11.072 14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.269 -9.929 14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.217 -10.336 16.664 1.00 0.00 H new ATOM 408 N LYS A 26 1.904 -7.695 16.165 1.00 0.00 N ATOM 409 CA LYS A 26 2.488 -6.397 16.460 1.00 0.00 C ATOM 410 C LYS A 26 1.565 -5.295 15.935 1.00 0.00 C ATOM 411 O LYS A 26 1.081 -4.468 16.705 1.00 0.00 O ATOM 412 CB LYS A 26 3.915 -6.315 15.915 1.00 0.00 C ATOM 413 CG LYS A 26 4.320 -4.862 15.655 1.00 0.00 C ATOM 414 CD LYS A 26 5.784 -4.626 16.031 1.00 0.00 C ATOM 415 CE LYS A 26 6.274 -3.276 15.504 1.00 0.00 C ATOM 416 NZ LYS A 26 7.512 -3.447 14.712 1.00 0.00 N ATOM 0 H LYS A 26 0.906 -7.676 15.957 1.00 0.00 H new ATOM 0 HA LYS A 26 2.574 -6.255 17.537 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.606 -6.767 16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.989 -6.888 14.991 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.167 -4.621 14.603 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.680 -4.194 16.231 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.895 -4.659 17.115 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.402 -5.426 15.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.501 -2.818 14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.459 -2.599 16.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.831 -2.521 14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.253 -3.864 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.324 -4.076 13.905 1.00 0.00 H new ATOM 430 N LYS A 27 1.349 -5.322 14.629 1.00 0.00 N ATOM 431 CA LYS A 27 0.491 -4.335 13.992 1.00 0.00 C ATOM 432 C LYS A 27 0.171 -4.790 12.567 1.00 0.00 C ATOM 433 O LYS A 27 0.790 -5.719 12.053 1.00 0.00 O ATOM 434 CB LYS A 27 1.128 -2.946 14.067 1.00 0.00 C ATOM 435 CG LYS A 27 0.149 -1.926 14.653 1.00 0.00 C ATOM 436 CD LYS A 27 0.817 -0.561 14.822 1.00 0.00 C ATOM 437 CE LYS A 27 0.162 0.486 13.919 1.00 0.00 C ATOM 438 NZ LYS A 27 0.719 1.830 14.193 1.00 0.00 N ATOM 0 H LYS A 27 1.752 -6.011 13.994 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.458 -4.254 14.522 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.027 -2.987 14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.437 -2.629 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.718 -1.832 14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.215 -2.279 15.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.747 -0.244 15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.878 -0.639 14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.324 0.225 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.916 0.492 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.263 2.528 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.542 2.083 15.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.744 1.824 14.014 1.00 0.00 H new ATOM 452 N GLN A 28 -0.798 -4.112 11.968 1.00 0.00 N ATOM 453 CA GLN A 28 -1.209 -4.434 10.612 1.00 0.00 C ATOM 454 C GLN A 28 -1.088 -3.201 9.714 1.00 0.00 C ATOM 455 O GLN A 28 -0.901 -2.088 10.203 1.00 0.00 O ATOM 456 CB GLN A 28 -2.633 -4.992 10.589 1.00 0.00 C ATOM 457 CG GLN A 28 -3.625 -3.987 11.180 1.00 0.00 C ATOM 458 CD GLN A 28 -3.805 -4.212 12.682 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.072 -3.692 13.506 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.819 -5.016 12.991 1.00 0.00 N ATOM 0 H GLN A 28 -1.310 -3.341 12.397 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.545 -5.207 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.918 -5.230 9.564 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.672 -5.923 11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.270 -2.972 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.587 -4.082 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.394 -5.419 12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.021 -5.230 13.968 1.00 0.00 H new ATOM 469 N TYR A 29 -1.199 -3.441 8.415 1.00 0.00 N ATOM 470 CA TYR A 29 -1.104 -2.365 7.445 1.00 0.00 C ATOM 471 C TYR A 29 -2.175 -1.302 7.699 1.00 0.00 C ATOM 472 O TYR A 29 -3.111 -1.529 8.463 1.00 0.00 O ATOM 473 CB TYR A 29 -1.354 -3.006 6.078 1.00 0.00 C ATOM 474 CG TYR A 29 -0.119 -3.677 5.472 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.722 -4.424 6.270 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.152 -3.535 4.126 1.00 0.00 C ATOM 477 CE1 TYR A 29 1.884 -5.055 5.699 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.314 -4.166 3.555 1.00 0.00 C ATOM 479 CZ TYR A 29 2.123 -4.895 4.370 1.00 0.00 C ATOM 480 OH TYR A 29 3.220 -5.491 3.830 1.00 0.00 O ATOM 0 H TYR A 29 -1.354 -4.365 8.013 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.131 -1.878 7.507 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.147 -3.747 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.714 -2.242 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.509 -4.536 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.507 -2.951 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.551 -5.642 6.313 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.538 -4.063 2.504 1.00 0.00 H new ATOM 0 HH TYR A 29 3.568 -6.162 4.454 1.00 0.00 H new ATOM 490 N LYS A 30 -2.002 -0.164 7.041 1.00 0.00 N ATOM 491 CA LYS A 30 -2.941 0.935 7.186 1.00 0.00 C ATOM 492 C LYS A 30 -2.496 2.101 6.302 1.00 0.00 C ATOM 493 O LYS A 30 -1.476 2.014 5.621 1.00 0.00 O ATOM 494 CB LYS A 30 -3.106 1.308 8.661 1.00 0.00 C ATOM 495 CG LYS A 30 -4.580 1.293 9.070 1.00 0.00 C ATOM 496 CD LYS A 30 -4.742 0.842 10.523 1.00 0.00 C ATOM 497 CE LYS A 30 -5.027 2.034 11.438 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.328 1.873 12.733 1.00 0.00 N ATOM 0 H LYS A 30 -1.225 0.020 6.406 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.932 0.637 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.546 0.608 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.686 2.298 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.006 2.289 8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.136 0.624 8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.556 0.121 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.836 0.334 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.703 2.956 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.100 2.122 11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.532 2.691 13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.657 1.004 13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.303 1.811 12.569 1.00 0.00 H new ATOM 512 N LEU A 31 -3.283 3.167 6.342 1.00 0.00 N ATOM 513 CA LEU A 31 -2.983 4.348 5.553 1.00 0.00 C ATOM 514 C LEU A 31 -1.565 4.824 5.876 1.00 0.00 C ATOM 515 O LEU A 31 -0.926 5.484 5.056 1.00 0.00 O ATOM 516 CB LEU A 31 -4.054 5.420 5.764 1.00 0.00 C ATOM 517 CG LEU A 31 -4.601 6.082 4.497 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.494 6.828 3.747 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.306 5.058 3.605 1.00 0.00 C ATOM 0 H LEU A 31 -4.128 3.236 6.909 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.007 4.112 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.888 4.971 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.640 6.197 6.406 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.346 6.821 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.909 7.289 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.074 7.600 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.710 6.126 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.686 5.554 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.600 4.280 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.136 4.610 4.151 1.00 0.00 H new ATOM 531 N LYS A 32 -1.115 4.473 7.071 1.00 0.00 N ATOM 532 CA LYS A 32 0.216 4.856 7.512 1.00 0.00 C ATOM 533 C LYS A 32 1.259 4.179 6.621 1.00 0.00 C ATOM 534 O LYS A 32 2.216 4.816 6.186 1.00 0.00 O ATOM 535 CB LYS A 32 0.394 4.558 9.002 1.00 0.00 C ATOM 536 CG LYS A 32 1.215 5.652 9.686 1.00 0.00 C ATOM 537 CD LYS A 32 2.600 5.133 10.079 1.00 0.00 C ATOM 538 CE LYS A 32 3.265 6.062 11.098 1.00 0.00 C ATOM 539 NZ LYS A 32 3.919 7.199 10.412 1.00 0.00 N ATOM 0 H LYS A 32 -1.648 3.927 7.748 1.00 0.00 H new ATOM 0 HA LYS A 32 0.356 5.932 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.583 4.479 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.889 3.595 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.319 6.506 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.690 6.005 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.511 4.131 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.227 5.052 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.520 6.434 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.002 5.507 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.365 7.820 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.644 6.840 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.208 7.738 9.878 1.00 0.00 H new ATOM 553 N HIS A 33 1.037 2.896 6.375 1.00 0.00 N ATOM 554 CA HIS A 33 1.946 2.125 5.544 1.00 0.00 C ATOM 555 C HIS A 33 1.816 2.576 4.088 1.00 0.00 C ATOM 556 O HIS A 33 2.804 2.611 3.355 1.00 0.00 O ATOM 557 CB HIS A 33 1.707 0.625 5.724 1.00 0.00 C ATOM 558 CG HIS A 33 2.172 0.084 7.055 1.00 0.00 C ATOM 559 ND1 HIS A 33 1.304 -0.189 8.098 1.00 0.00 N ATOM 560 CD2 HIS A 33 3.421 -0.231 7.501 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.010 -0.647 9.121 1.00 0.00 C ATOM 562 NE2 HIS A 33 3.323 -0.673 8.750 1.00 0.00 N ATOM 0 H HIS A 33 0.241 2.371 6.737 1.00 0.00 H new ATOM 0 HA HIS A 33 2.974 2.309 5.855 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.642 0.421 5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.219 0.088 4.926 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.292 -0.059 8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.336 -0.137 6.935 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.616 -0.947 10.081 1.00 0.00 H new ATOM 571 N ILE A 34 0.590 2.908 3.712 1.00 0.00 N ATOM 572 CA ILE A 34 0.318 3.355 2.356 1.00 0.00 C ATOM 573 C ILE A 34 0.997 4.706 2.124 1.00 0.00 C ATOM 574 O ILE A 34 1.490 4.977 1.029 1.00 0.00 O ATOM 575 CB ILE A 34 -1.189 3.369 2.088 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.726 1.949 1.901 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.525 4.272 0.900 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.243 1.958 1.706 1.00 0.00 C ATOM 0 H ILE A 34 -0.226 2.877 4.323 1.00 0.00 H new ATOM 0 HA ILE A 34 0.740 2.657 1.633 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.688 3.788 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.248 1.486 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.471 1.343 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.602 4.265 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.198 5.290 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.015 3.906 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.599 0.936 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.720 2.399 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.493 2.545 0.822 1.00 0.00 H new ATOM 590 N VAL A 35 1.001 5.518 3.170 1.00 0.00 N ATOM 591 CA VAL A 35 1.611 6.835 3.093 1.00 0.00 C ATOM 592 C VAL A 35 3.132 6.685 3.028 1.00 0.00 C ATOM 593 O VAL A 35 3.800 7.404 2.287 1.00 0.00 O ATOM 594 CB VAL A 35 1.146 7.697 4.269 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.036 8.931 4.430 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.322 8.097 4.107 1.00 0.00 C ATOM 0 H VAL A 35 0.592 5.290 4.076 1.00 0.00 H new ATOM 0 HA VAL A 35 1.295 7.349 2.185 1.00 0.00 H new ATOM 0 HB VAL A 35 1.233 7.101 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.684 9.526 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.064 8.617 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.995 9.530 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.628 8.709 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.444 8.667 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.941 7.201 4.064 1.00 0.00 H new ATOM 606 N TRP A 36 3.636 5.743 3.813 1.00 0.00 N ATOM 607 CA TRP A 36 5.066 5.489 3.854 1.00 0.00 C ATOM 608 C TRP A 36 5.498 4.995 2.471 1.00 0.00 C ATOM 609 O TRP A 36 6.470 5.493 1.906 1.00 0.00 O ATOM 610 CB TRP A 36 5.417 4.510 4.975 1.00 0.00 C ATOM 611 CG TRP A 36 6.882 4.068 4.980 1.00 0.00 C ATOM 612 CD1 TRP A 36 7.969 4.819 5.208 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.380 2.736 4.737 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.126 4.070 5.129 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.756 2.764 4.833 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.689 1.547 4.443 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.560 1.632 4.651 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.508 0.425 4.263 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.895 0.436 4.358 1.00 0.00 C ATOM 0 H TRP A 36 3.079 5.147 4.425 1.00 0.00 H new ATOM 0 HA TRP A 36 5.614 6.403 4.084 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.185 4.973 5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.783 3.628 4.885 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.943 5.876 5.426 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.077 4.412 5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.613 1.503 4.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.636 1.679 4.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.028 -0.515 4.034 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.457 -0.474 4.206 1.00 0.00 H new ATOM 630 N ALA A 37 4.754 4.021 1.967 1.00 0.00 N ATOM 631 CA ALA A 37 5.048 3.454 0.662 1.00 0.00 C ATOM 632 C ALA A 37 4.970 4.557 -0.396 1.00 0.00 C ATOM 633 O ALA A 37 5.895 4.726 -1.190 1.00 0.00 O ATOM 634 CB ALA A 37 4.082 2.303 0.377 1.00 0.00 C ATOM 0 H ALA A 37 3.948 3.610 2.439 1.00 0.00 H new ATOM 0 HA ALA A 37 6.058 3.045 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.302 1.877 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.197 1.534 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.058 2.676 0.388 1.00 0.00 H new ATOM 640 N SER A 38 3.859 5.277 -0.375 1.00 0.00 N ATOM 641 CA SER A 38 3.649 6.358 -1.323 1.00 0.00 C ATOM 642 C SER A 38 4.789 7.374 -1.219 1.00 0.00 C ATOM 643 O SER A 38 5.175 7.981 -2.216 1.00 0.00 O ATOM 644 CB SER A 38 2.303 7.045 -1.086 1.00 0.00 C ATOM 645 OG SER A 38 2.409 8.122 -0.159 1.00 0.00 O ATOM 0 H SER A 38 3.094 5.133 0.284 1.00 0.00 H new ATOM 0 HA SER A 38 3.638 5.935 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.915 7.419 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.584 6.315 -0.713 1.00 0.00 H new ATOM 0 HG SER A 38 2.856 7.810 0.655 1.00 0.00 H new ATOM 651 N ARG A 39 5.295 7.526 -0.005 1.00 0.00 N ATOM 652 CA ARG A 39 6.382 8.458 0.242 1.00 0.00 C ATOM 653 C ARG A 39 7.662 7.973 -0.443 1.00 0.00 C ATOM 654 O ARG A 39 8.383 8.763 -1.050 1.00 0.00 O ATOM 655 CB ARG A 39 6.643 8.615 1.741 1.00 0.00 C ATOM 656 CG ARG A 39 7.671 9.717 2.005 1.00 0.00 C ATOM 657 CD ARG A 39 7.716 10.080 3.492 1.00 0.00 C ATOM 658 NE ARG A 39 6.627 11.031 3.813 1.00 0.00 N ATOM 659 CZ ARG A 39 6.292 11.396 5.058 1.00 0.00 C ATOM 660 NH1 ARG A 39 6.959 10.892 6.106 1.00 0.00 N ATOM 661 NH2 ARG A 39 5.291 12.264 5.255 1.00 0.00 N ATOM 0 H ARG A 39 4.972 7.019 0.819 1.00 0.00 H new ATOM 0 HA ARG A 39 6.090 9.425 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.711 8.852 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.002 7.672 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.657 9.386 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.421 10.601 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.615 9.180 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.681 10.523 3.738 1.00 0.00 H new ATOM 0 HE ARG A 39 6.099 11.433 3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.721 10.231 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.704 11.170 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.784 12.647 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.036 12.542 6.203 1.00 0.00 H new ATOM 675 N GLU A 40 7.905 6.676 -0.322 1.00 0.00 N ATOM 676 CA GLU A 40 9.085 6.077 -0.922 1.00 0.00 C ATOM 677 C GLU A 40 8.985 6.119 -2.447 1.00 0.00 C ATOM 678 O GLU A 40 9.936 6.502 -3.126 1.00 0.00 O ATOM 679 CB GLU A 40 9.285 4.643 -0.424 1.00 0.00 C ATOM 680 CG GLU A 40 10.743 4.207 -0.581 1.00 0.00 C ATOM 681 CD GLU A 40 10.944 3.422 -1.878 1.00 0.00 C ATOM 682 OE1 GLU A 40 10.272 3.782 -2.870 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.765 2.480 -1.850 1.00 0.00 O ATOM 0 H GLU A 40 7.305 6.024 0.183 1.00 0.00 H new ATOM 0 HA GLU A 40 9.957 6.657 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.992 4.574 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.637 3.967 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.391 5.084 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.036 3.592 0.270 1.00 0.00 H new ATOM 690 N LEU A 41 7.822 5.719 -2.943 1.00 0.00 N ATOM 691 CA LEU A 41 7.585 5.707 -4.377 1.00 0.00 C ATOM 692 C LEU A 41 7.723 7.129 -4.924 1.00 0.00 C ATOM 693 O LEU A 41 8.437 7.355 -5.901 1.00 0.00 O ATOM 694 CB LEU A 41 6.237 5.054 -4.691 1.00 0.00 C ATOM 695 CG LEU A 41 6.176 3.533 -4.541 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.145 3.126 -3.487 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.915 2.860 -5.889 1.00 0.00 C ATOM 0 H LEU A 41 7.035 5.401 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 41 8.334 5.097 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.482 5.494 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.962 5.309 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 41 7.148 3.185 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.122 2.040 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.417 3.561 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.160 3.487 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.876 1.779 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.965 3.210 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.718 3.111 -6.582 1.00 0.00 H new ATOM 709 N GLU A 42 7.029 8.050 -4.273 1.00 0.00 N ATOM 710 CA GLU A 42 7.065 9.443 -4.682 1.00 0.00 C ATOM 711 C GLU A 42 8.509 9.945 -4.731 1.00 0.00 C ATOM 712 O GLU A 42 8.895 10.646 -5.665 1.00 0.00 O ATOM 713 CB GLU A 42 6.215 10.310 -3.752 1.00 0.00 C ATOM 714 CG GLU A 42 6.129 11.748 -4.269 1.00 0.00 C ATOM 715 CD GLU A 42 6.415 12.751 -3.148 1.00 0.00 C ATOM 716 OE1 GLU A 42 7.437 12.554 -2.457 1.00 0.00 O ATOM 717 OE2 GLU A 42 5.603 13.691 -3.009 1.00 0.00 O ATOM 0 H GLU A 42 6.438 7.858 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 42 6.641 9.518 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.213 9.888 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.645 10.305 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.843 11.890 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.137 11.931 -4.682 1.00 0.00 H new ATOM 724 N ARG A 43 9.268 9.566 -3.713 1.00 0.00 N ATOM 725 CA ARG A 43 10.662 9.969 -3.629 1.00 0.00 C ATOM 726 C ARG A 43 11.497 9.211 -4.664 1.00 0.00 C ATOM 727 O ARG A 43 12.562 9.676 -5.066 1.00 0.00 O ATOM 728 CB ARG A 43 11.228 9.703 -2.233 1.00 0.00 C ATOM 729 CG ARG A 43 12.436 10.599 -1.951 1.00 0.00 C ATOM 730 CD ARG A 43 12.005 11.906 -1.283 1.00 0.00 C ATOM 731 NE ARG A 43 13.150 12.841 -1.215 1.00 0.00 N ATOM 732 CZ ARG A 43 14.069 12.833 -0.239 1.00 0.00 C ATOM 733 NH1 ARG A 43 13.984 11.939 0.754 1.00 0.00 N ATOM 734 NH2 ARG A 43 15.074 13.719 -0.259 1.00 0.00 N ATOM 0 H ARG A 43 8.944 8.985 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 43 10.711 11.039 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.456 9.881 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.520 8.656 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.141 10.073 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.957 10.817 -2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.188 12.359 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.629 11.705 -0.280 1.00 0.00 H new ATOM 0 HE ARG A 43 13.246 13.535 -1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.220 11.264 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.683 11.933 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.139 14.399 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.774 13.714 0.483 1.00 0.00 H new ATOM 748 N PHE A 44 10.982 8.058 -5.064 1.00 0.00 N ATOM 749 CA PHE A 44 11.666 7.232 -6.043 1.00 0.00 C ATOM 750 C PHE A 44 11.328 7.676 -7.467 1.00 0.00 C ATOM 751 O PHE A 44 11.936 7.208 -8.429 1.00 0.00 O ATOM 752 CB PHE A 44 11.177 5.797 -5.838 1.00 0.00 C ATOM 753 CG PHE A 44 12.068 4.961 -4.917 1.00 0.00 C ATOM 754 CD1 PHE A 44 12.467 5.464 -3.717 1.00 0.00 C ATOM 755 CD2 PHE A 44 12.462 3.716 -5.297 1.00 0.00 C ATOM 756 CE1 PHE A 44 13.293 4.688 -2.863 1.00 0.00 C ATOM 757 CE2 PHE A 44 13.288 2.940 -4.443 1.00 0.00 C ATOM 758 CZ PHE A 44 13.686 3.442 -3.243 1.00 0.00 C ATOM 0 H PHE A 44 10.098 7.676 -4.727 1.00 0.00 H new ATOM 0 HA PHE A 44 12.745 7.316 -5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.169 5.823 -5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.111 5.304 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.155 6.453 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.146 3.317 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.610 5.087 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.600 1.951 -4.746 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.314 2.852 -2.592 1.00 0.00 H new ATOM 768 N ALA A 45 10.358 8.574 -7.558 1.00 0.00 N ATOM 769 CA ALA A 45 9.931 9.086 -8.849 1.00 0.00 C ATOM 770 C ALA A 45 8.935 8.109 -9.476 1.00 0.00 C ATOM 771 O ALA A 45 9.025 7.801 -10.663 1.00 0.00 O ATOM 772 CB ALA A 45 11.155 9.319 -9.736 1.00 0.00 C ATOM 0 H ALA A 45 9.856 8.960 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 45 9.425 10.044 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.835 9.703 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.817 10.042 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.687 8.378 -9.877 1.00 0.00 H new ATOM 778 N VAL A 46 8.005 7.651 -8.650 1.00 0.00 N ATOM 779 CA VAL A 46 6.992 6.716 -9.109 1.00 0.00 C ATOM 780 C VAL A 46 5.604 7.281 -8.800 1.00 0.00 C ATOM 781 O VAL A 46 5.423 7.978 -7.802 1.00 0.00 O ATOM 782 CB VAL A 46 7.229 5.339 -8.484 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.303 4.290 -9.102 1.00 0.00 C ATOM 784 CG2 VAL A 46 8.695 4.922 -8.618 1.00 0.00 C ATOM 0 H VAL A 46 7.932 7.910 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 46 7.056 6.584 -10.189 1.00 0.00 H new ATOM 0 HB VAL A 46 6.995 5.408 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.492 3.321 -8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.265 4.576 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.491 4.224 -10.174 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.837 3.940 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.966 4.878 -9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.328 5.650 -8.111 1.00 0.00 H new ATOM 794 N ASN A 47 4.661 6.959 -9.673 1.00 0.00 N ATOM 795 CA ASN A 47 3.295 7.426 -9.504 1.00 0.00 C ATOM 796 C ASN A 47 2.613 6.608 -8.406 1.00 0.00 C ATOM 797 O ASN A 47 2.594 5.380 -8.462 1.00 0.00 O ATOM 798 CB ASN A 47 2.491 7.251 -10.794 1.00 0.00 C ATOM 799 CG ASN A 47 2.495 8.536 -11.623 1.00 0.00 C ATOM 800 OD1 ASN A 47 2.859 9.604 -11.158 1.00 0.00 O ATOM 801 ND2 ASN A 47 2.071 8.375 -12.873 1.00 0.00 N ATOM 0 H ASN A 47 4.815 6.381 -10.499 1.00 0.00 H new ATOM 0 HA ASN A 47 3.329 8.483 -9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.912 6.435 -11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.465 6.974 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.036 9.174 -13.507 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.781 7.453 -13.198 1.00 0.00 H new ATOM 808 N PRO A 48 2.053 7.343 -7.407 1.00 0.00 N ATOM 809 CA PRO A 48 1.371 6.699 -6.297 1.00 0.00 C ATOM 810 C PRO A 48 0.000 6.175 -6.726 1.00 0.00 C ATOM 811 O PRO A 48 -0.422 5.102 -6.297 1.00 0.00 O ATOM 812 CB PRO A 48 1.289 7.764 -5.216 1.00 0.00 C ATOM 813 CG PRO A 48 1.507 9.093 -5.922 1.00 0.00 C ATOM 814 CD PRO A 48 2.056 8.800 -7.307 1.00 0.00 C ATOM 0 HA PRO A 48 1.900 5.819 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.320 7.741 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.046 7.601 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.570 9.646 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.203 9.715 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.437 9.251 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.062 9.203 -7.428 1.00 0.00 H new ATOM 822 N GLY A 49 -0.660 6.957 -7.569 1.00 0.00 N ATOM 823 CA GLY A 49 -1.975 6.585 -8.060 1.00 0.00 C ATOM 824 C GLY A 49 -1.900 5.334 -8.937 1.00 0.00 C ATOM 825 O GLY A 49 -2.905 4.658 -9.150 1.00 0.00 O ATOM 0 H GLY A 49 -0.308 7.846 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.643 6.404 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.400 7.410 -8.632 1.00 0.00 H new ATOM 829 N LEU A 50 -0.697 5.061 -9.421 1.00 0.00 N ATOM 830 CA LEU A 50 -0.476 3.902 -10.269 1.00 0.00 C ATOM 831 C LEU A 50 -0.627 2.628 -9.435 1.00 0.00 C ATOM 832 O LEU A 50 -0.862 1.550 -9.978 1.00 0.00 O ATOM 833 CB LEU A 50 0.871 4.011 -10.986 1.00 0.00 C ATOM 834 CG LEU A 50 2.037 3.259 -10.340 1.00 0.00 C ATOM 835 CD1 LEU A 50 1.915 1.752 -10.575 1.00 0.00 C ATOM 836 CD2 LEU A 50 3.380 3.808 -10.827 1.00 0.00 C ATOM 0 H LEU A 50 0.135 5.623 -9.242 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.228 3.859 -11.057 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.748 3.645 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.139 5.065 -11.056 1.00 0.00 H new ATOM 0 HG LEU A 50 1.994 3.421 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.756 1.241 -10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.983 1.390 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.919 1.549 -11.646 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.192 3.257 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.448 3.696 -11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.458 4.864 -10.566 1.00 0.00 H new ATOM 848 N LEU A 51 -0.486 2.795 -8.128 1.00 0.00 N ATOM 849 CA LEU A 51 -0.604 1.672 -7.213 1.00 0.00 C ATOM 850 C LEU A 51 -2.085 1.358 -6.987 1.00 0.00 C ATOM 851 O LEU A 51 -2.420 0.427 -6.256 1.00 0.00 O ATOM 852 CB LEU A 51 0.170 1.948 -5.922 1.00 0.00 C ATOM 853 CG LEU A 51 1.689 2.060 -6.064 1.00 0.00 C ATOM 854 CD1 LEU A 51 2.223 3.271 -5.295 1.00 0.00 C ATOM 855 CD2 LEU A 51 2.377 0.762 -5.637 1.00 0.00 C ATOM 0 H LEU A 51 -0.291 3.691 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.150 0.780 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.204 2.875 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.051 1.152 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 51 1.923 2.217 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.305 3.328 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.767 4.180 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.977 3.168 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.456 0.869 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.138 0.550 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.027 -0.058 -6.264 1.00 0.00 H new ATOM 867 N GLU A 52 -2.929 2.152 -7.627 1.00 0.00 N ATOM 868 CA GLU A 52 -4.366 1.970 -7.505 1.00 0.00 C ATOM 869 C GLU A 52 -4.826 0.786 -8.358 1.00 0.00 C ATOM 870 O GLU A 52 -5.996 0.408 -8.322 1.00 0.00 O ATOM 871 CB GLU A 52 -5.116 3.247 -7.890 1.00 0.00 C ATOM 872 CG GLU A 52 -6.597 3.147 -7.518 1.00 0.00 C ATOM 873 CD GLU A 52 -7.315 4.476 -7.767 1.00 0.00 C ATOM 874 OE1 GLU A 52 -7.651 4.727 -8.945 1.00 0.00 O ATOM 875 OE2 GLU A 52 -7.513 5.208 -6.774 1.00 0.00 O ATOM 0 H GLU A 52 -2.646 2.923 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.597 1.753 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.668 4.103 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.018 3.422 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.070 2.358 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.694 2.868 -6.469 1.00 0.00 H new ATOM 882 N THR A 53 -3.882 0.234 -9.104 1.00 0.00 N ATOM 883 CA THR A 53 -4.175 -0.898 -9.966 1.00 0.00 C ATOM 884 C THR A 53 -3.234 -2.064 -9.653 1.00 0.00 C ATOM 885 O THR A 53 -2.051 -1.858 -9.389 1.00 0.00 O ATOM 886 CB THR A 53 -4.092 -0.423 -11.418 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.694 -0.287 -11.659 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.642 0.992 -11.603 1.00 0.00 C ATOM 0 H THR A 53 -2.912 0.550 -9.130 1.00 0.00 H new ATOM 0 HA THR A 53 -5.182 -1.277 -9.791 1.00 0.00 H new ATOM 0 HB THR A 53 -4.643 -1.113 -12.058 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.329 0.413 -11.078 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.560 1.280 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.689 1.018 -11.301 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.070 1.688 -10.989 1.00 0.00 H new ATOM 896 N SER A 54 -3.795 -3.263 -9.695 1.00 0.00 N ATOM 897 CA SER A 54 -3.021 -4.462 -9.420 1.00 0.00 C ATOM 898 C SER A 54 -1.831 -4.548 -10.377 1.00 0.00 C ATOM 899 O SER A 54 -0.771 -5.053 -10.011 1.00 0.00 O ATOM 900 CB SER A 54 -3.888 -5.717 -9.537 1.00 0.00 C ATOM 901 OG SER A 54 -4.097 -6.096 -10.894 1.00 0.00 O ATOM 0 H SER A 54 -4.777 -3.430 -9.915 1.00 0.00 H new ATOM 0 HA SER A 54 -2.652 -4.403 -8.396 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.412 -6.538 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.851 -5.539 -9.058 1.00 0.00 H new ATOM 0 HG SER A 54 -4.653 -6.902 -10.927 1.00 0.00 H new ATOM 907 N GLU A 55 -2.046 -4.046 -11.584 1.00 0.00 N ATOM 908 CA GLU A 55 -1.005 -4.060 -12.597 1.00 0.00 C ATOM 909 C GLU A 55 0.130 -3.114 -12.204 1.00 0.00 C ATOM 910 O GLU A 55 1.300 -3.493 -12.240 1.00 0.00 O ATOM 911 CB GLU A 55 -1.571 -3.697 -13.972 1.00 0.00 C ATOM 912 CG GLU A 55 -2.247 -4.904 -14.623 1.00 0.00 C ATOM 913 CD GLU A 55 -3.398 -4.466 -15.531 1.00 0.00 C ATOM 914 OE1 GLU A 55 -3.268 -3.372 -16.122 1.00 0.00 O ATOM 915 OE2 GLU A 55 -4.381 -5.233 -15.612 1.00 0.00 O ATOM 0 H GLU A 55 -2.926 -3.627 -11.883 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.603 -5.071 -12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.290 -2.884 -13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.769 -3.334 -14.615 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.515 -5.466 -15.203 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.624 -5.574 -13.851 1.00 0.00 H new ATOM 922 N GLY A 56 -0.254 -1.900 -11.837 1.00 0.00 N ATOM 923 CA GLY A 56 0.717 -0.895 -11.437 1.00 0.00 C ATOM 924 C GLY A 56 1.578 -1.398 -10.277 1.00 0.00 C ATOM 925 O GLY A 56 2.796 -1.226 -10.283 1.00 0.00 O ATOM 0 H GLY A 56 -1.225 -1.589 -11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.354 -0.642 -12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.200 0.018 -11.142 1.00 0.00 H new ATOM 929 N CYS A 57 0.912 -2.010 -9.309 1.00 0.00 N ATOM 930 CA CYS A 57 1.602 -2.538 -8.144 1.00 0.00 C ATOM 931 C CYS A 57 2.544 -3.651 -8.607 1.00 0.00 C ATOM 932 O CYS A 57 3.679 -3.741 -8.141 1.00 0.00 O ATOM 933 CB CYS A 57 0.619 -3.028 -7.079 1.00 0.00 C ATOM 934 SG CYS A 57 1.460 -3.144 -5.457 1.00 0.00 S ATOM 0 H CYS A 57 -0.098 -2.152 -9.307 1.00 0.00 H new ATOM 0 HA CYS A 57 2.183 -1.746 -7.672 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.227 -2.344 -7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.220 -4.002 -7.361 1.00 0.00 H new ATOM 0 HG CYS A 57 1.384 -1.999 -4.846 1.00 0.00 H new ATOM 940 N ARG A 58 2.038 -4.468 -9.518 1.00 0.00 N ATOM 941 CA ARG A 58 2.822 -5.571 -10.050 1.00 0.00 C ATOM 942 C ARG A 58 4.061 -5.043 -10.773 1.00 0.00 C ATOM 943 O ARG A 58 5.144 -5.614 -10.656 1.00 0.00 O ATOM 944 CB ARG A 58 1.994 -6.417 -11.021 1.00 0.00 C ATOM 945 CG ARG A 58 2.489 -7.864 -11.047 1.00 0.00 C ATOM 946 CD ARG A 58 1.594 -8.733 -11.932 1.00 0.00 C ATOM 947 NE ARG A 58 2.276 -9.023 -13.212 1.00 0.00 N ATOM 948 CZ ARG A 58 1.791 -9.844 -14.153 1.00 0.00 C ATOM 949 NH1 ARG A 58 0.618 -10.463 -13.963 1.00 0.00 N ATOM 950 NH2 ARG A 58 2.479 -10.048 -15.285 1.00 0.00 N ATOM 0 H ARG A 58 1.096 -4.389 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 58 3.127 -6.196 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.945 -6.393 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.054 -5.991 -12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.514 -7.895 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.504 -8.265 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.355 -9.664 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.650 -8.222 -12.121 1.00 0.00 H new ATOM 0 HE ARG A 58 3.172 -8.569 -13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.094 -10.309 -13.102 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.249 -11.088 -14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.373 -9.578 -15.430 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.109 -10.673 -16.001 1.00 0.00 H new ATOM 964 N GLN A 59 3.862 -3.957 -11.506 1.00 0.00 N ATOM 965 CA GLN A 59 4.951 -3.344 -12.248 1.00 0.00 C ATOM 966 C GLN A 59 6.055 -2.890 -11.292 1.00 0.00 C ATOM 967 O GLN A 59 7.222 -3.229 -11.482 1.00 0.00 O ATOM 968 CB GLN A 59 4.445 -2.177 -13.097 1.00 0.00 C ATOM 969 CG GLN A 59 4.542 -2.502 -14.590 1.00 0.00 C ATOM 970 CD GLN A 59 4.751 -1.230 -15.415 1.00 0.00 C ATOM 971 OE1 GLN A 59 4.590 -0.118 -14.941 1.00 0.00 O ATOM 972 NE2 GLN A 59 5.117 -1.457 -16.673 1.00 0.00 N ATOM 0 H GLN A 59 2.962 -3.486 -11.602 1.00 0.00 H new ATOM 0 HA GLN A 59 5.369 -4.089 -12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.410 -1.955 -12.836 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.028 -1.283 -12.877 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.368 -3.192 -14.763 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.632 -3.006 -14.916 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.234 -2.414 -17.005 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.281 -0.674 -17.306 1.00 0.00 H new ATOM 981 N ILE A 60 5.648 -2.130 -10.287 1.00 0.00 N ATOM 982 CA ILE A 60 6.589 -1.626 -9.301 1.00 0.00 C ATOM 983 C ILE A 60 7.277 -2.804 -8.609 1.00 0.00 C ATOM 984 O ILE A 60 8.499 -2.821 -8.473 1.00 0.00 O ATOM 985 CB ILE A 60 5.890 -0.668 -8.334 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.368 0.569 -9.068 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.809 -0.297 -7.169 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.121 1.129 -8.381 1.00 0.00 C ATOM 0 H ILE A 60 4.679 -1.851 -10.134 1.00 0.00 H new ATOM 0 HA ILE A 60 7.370 -1.040 -9.785 1.00 0.00 H new ATOM 0 HB ILE A 60 5.026 -1.181 -7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.145 1.333 -9.098 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.134 0.311 -10.101 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.288 0.385 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.089 -1.199 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.706 0.188 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.771 2.008 -8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.338 0.371 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.365 1.408 -7.356 1.00 0.00 H new ATOM 1000 N LEU A 61 6.462 -3.761 -8.191 1.00 0.00 N ATOM 1001 CA LEU A 61 6.977 -4.941 -7.517 1.00 0.00 C ATOM 1002 C LEU A 61 8.019 -5.619 -8.409 1.00 0.00 C ATOM 1003 O LEU A 61 9.069 -6.043 -7.929 1.00 0.00 O ATOM 1004 CB LEU A 61 5.830 -5.865 -7.103 1.00 0.00 C ATOM 1005 CG LEU A 61 5.899 -6.423 -5.680 1.00 0.00 C ATOM 1006 CD1 LEU A 61 5.166 -7.763 -5.580 1.00 0.00 C ATOM 1007 CD2 LEU A 61 7.349 -6.527 -5.202 1.00 0.00 C ATOM 0 H LEU A 61 5.449 -3.744 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 61 7.481 -4.661 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.893 -5.320 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.795 -6.703 -7.799 1.00 0.00 H new ATOM 0 HG LEU A 61 5.389 -5.726 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.230 -8.138 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.119 -7.626 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.626 -8.481 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.370 -6.926 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.904 -7.191 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.807 -5.538 -5.212 1.00 0.00 H new ATOM 1019 N GLY A 62 7.694 -5.697 -9.690 1.00 0.00 N ATOM 1020 CA GLY A 62 8.590 -6.316 -10.653 1.00 0.00 C ATOM 1021 C GLY A 62 9.847 -5.468 -10.854 1.00 0.00 C ATOM 1022 O GLY A 62 10.924 -6.003 -11.116 1.00 0.00 O ATOM 0 H GLY A 62 6.823 -5.342 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.870 -7.311 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.075 -6.442 -11.606 1.00 0.00 H new ATOM 1026 N GLN A 63 9.669 -4.162 -10.725 1.00 0.00 N ATOM 1027 CA GLN A 63 10.776 -3.235 -10.889 1.00 0.00 C ATOM 1028 C GLN A 63 11.723 -3.321 -9.690 1.00 0.00 C ATOM 1029 O GLN A 63 12.916 -3.052 -9.816 1.00 0.00 O ATOM 1030 CB GLN A 63 10.270 -1.806 -11.088 1.00 0.00 C ATOM 1031 CG GLN A 63 11.241 -0.995 -11.949 1.00 0.00 C ATOM 1032 CD GLN A 63 10.811 -1.008 -13.418 1.00 0.00 C ATOM 1033 OE1 GLN A 63 9.790 -0.460 -13.798 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.647 -1.661 -14.220 1.00 0.00 N ATOM 0 H GLN A 63 8.774 -3.723 -10.509 1.00 0.00 H new ATOM 0 HA GLN A 63 11.330 -3.516 -11.785 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.289 -1.827 -11.562 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.146 -1.322 -10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.283 0.032 -11.587 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.246 -1.407 -11.857 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.485 -2.098 -13.836 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.450 -1.725 -15.219 1.00 0.00 H new ATOM 1043 N LEU A 64 11.155 -3.697 -8.554 1.00 0.00 N ATOM 1044 CA LEU A 64 11.932 -3.821 -7.333 1.00 0.00 C ATOM 1045 C LEU A 64 12.441 -5.259 -7.201 1.00 0.00 C ATOM 1046 O LEU A 64 13.413 -5.514 -6.493 1.00 0.00 O ATOM 1047 CB LEU A 64 11.117 -3.345 -6.127 1.00 0.00 C ATOM 1048 CG LEU A 64 10.495 -1.953 -6.247 1.00 0.00 C ATOM 1049 CD1 LEU A 64 9.380 -1.760 -5.218 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.564 -0.863 -6.145 1.00 0.00 C ATOM 0 H LEU A 64 10.165 -3.920 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 64 12.808 -3.174 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.318 -4.064 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.763 -3.359 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 64 10.041 -1.867 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.955 -0.762 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.602 -2.505 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.788 -1.875 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.094 0.117 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.069 -0.938 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.291 -0.990 -6.947 1.00 0.00 H new ATOM 1062 N GLN A 65 11.761 -6.159 -7.896 1.00 0.00 N ATOM 1063 CA GLN A 65 12.132 -7.563 -7.866 1.00 0.00 C ATOM 1064 C GLN A 65 13.655 -7.709 -7.838 1.00 0.00 C ATOM 1065 O GLN A 65 14.205 -8.349 -6.943 1.00 0.00 O ATOM 1066 CB GLN A 65 11.532 -8.315 -9.056 1.00 0.00 C ATOM 1067 CG GLN A 65 10.687 -9.501 -8.585 1.00 0.00 C ATOM 1068 CD GLN A 65 11.520 -10.784 -8.541 1.00 0.00 C ATOM 1069 OE1 GLN A 65 12.651 -10.804 -8.082 1.00 0.00 O ATOM 1070 NE2 GLN A 65 10.901 -11.848 -9.041 1.00 0.00 N ATOM 0 H GLN A 65 10.955 -5.943 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 65 11.726 -8.006 -6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.916 -7.637 -9.646 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.331 -8.669 -9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.281 -9.293 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.838 -9.637 -9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.954 -11.761 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.373 -12.752 -9.057 1.00 0.00 H new ATOM 1079 N PRO A 66 14.311 -7.087 -8.855 1.00 0.00 N ATOM 1080 CA PRO A 66 15.760 -7.142 -8.955 1.00 0.00 C ATOM 1081 C PRO A 66 16.416 -6.222 -7.923 1.00 0.00 C ATOM 1082 O PRO A 66 17.513 -6.503 -7.443 1.00 0.00 O ATOM 1083 CB PRO A 66 16.070 -6.744 -10.388 1.00 0.00 C ATOM 1084 CG PRO A 66 14.828 -6.036 -10.902 1.00 0.00 C ATOM 1085 CD PRO A 66 13.694 -6.319 -9.932 1.00 0.00 C ATOM 0 HA PRO A 66 16.160 -8.132 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 16.940 -6.088 -10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.300 -7.619 -10.995 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.005 -4.963 -10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.573 -6.390 -11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.253 -5.395 -9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.894 -6.882 -10.412 1.00 0.00 H new ATOM 1093 N SER A 67 15.715 -5.141 -7.612 1.00 0.00 N ATOM 1094 CA SER A 67 16.215 -4.177 -6.646 1.00 0.00 C ATOM 1095 C SER A 67 16.503 -4.873 -5.313 1.00 0.00 C ATOM 1096 O SER A 67 17.449 -4.516 -4.613 1.00 0.00 O ATOM 1097 CB SER A 67 15.221 -3.033 -6.443 1.00 0.00 C ATOM 1098 OG SER A 67 15.018 -2.285 -7.638 1.00 0.00 O ATOM 0 H SER A 67 14.805 -4.912 -8.012 1.00 0.00 H new ATOM 0 HA SER A 67 17.141 -3.753 -7.035 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.268 -3.437 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.586 -2.371 -5.658 1.00 0.00 H new ATOM 0 HG SER A 67 14.376 -1.565 -7.468 1.00 0.00 H new ATOM 1104 N LEU A 68 15.669 -5.855 -5.004 1.00 0.00 N ATOM 1105 CA LEU A 68 15.822 -6.604 -3.768 1.00 0.00 C ATOM 1106 C LEU A 68 17.126 -7.404 -3.818 1.00 0.00 C ATOM 1107 O LEU A 68 17.761 -7.627 -2.789 1.00 0.00 O ATOM 1108 CB LEU A 68 14.584 -7.465 -3.507 1.00 0.00 C ATOM 1109 CG LEU A 68 13.348 -6.724 -2.993 1.00 0.00 C ATOM 1110 CD1 LEU A 68 13.123 -6.997 -1.506 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.444 -5.226 -3.293 1.00 0.00 C ATOM 0 H LEU A 68 14.886 -6.149 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 68 15.896 -5.925 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.319 -7.975 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.848 -8.236 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 68 12.476 -7.105 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.238 -6.458 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.979 -8.066 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 13.991 -6.662 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.553 -4.722 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 68 14.327 -4.813 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.520 -5.075 -4.370 1.00 0.00 H new ATOM 1123 N GLN A 69 17.486 -7.811 -5.026 1.00 0.00 N ATOM 1124 CA GLN A 69 18.704 -8.580 -5.224 1.00 0.00 C ATOM 1125 C GLN A 69 19.783 -8.128 -4.238 1.00 0.00 C ATOM 1126 O GLN A 69 20.509 -8.954 -3.687 1.00 0.00 O ATOM 1127 CB GLN A 69 19.197 -8.463 -6.668 1.00 0.00 C ATOM 1128 CG GLN A 69 20.285 -9.499 -6.961 1.00 0.00 C ATOM 1129 CD GLN A 69 21.621 -9.081 -6.344 1.00 0.00 C ATOM 1130 OE1 GLN A 69 21.972 -7.914 -6.294 1.00 0.00 O ATOM 1131 NE2 GLN A 69 22.343 -10.096 -5.878 1.00 0.00 N ATOM 0 H GLN A 69 16.957 -7.623 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 69 18.483 -9.630 -5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 69 18.362 -8.604 -7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 69 19.588 -7.461 -6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 69 19.985 -10.469 -6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.399 -9.617 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.989 -11.050 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 69 23.250 -9.921 -5.447 1.00 0.00 H new ATOM 1140 N THR A 70 19.854 -6.820 -4.046 1.00 0.00 N ATOM 1141 CA THR A 70 20.832 -6.249 -3.136 1.00 0.00 C ATOM 1142 C THR A 70 20.301 -4.949 -2.528 1.00 0.00 C ATOM 1143 O THR A 70 21.034 -3.967 -2.415 1.00 0.00 O ATOM 1144 CB THR A 70 22.144 -6.069 -3.903 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.032 -5.502 -2.944 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.042 -5.002 -4.995 1.00 0.00 C ATOM 0 H THR A 70 19.250 -6.138 -4.505 1.00 0.00 H new ATOM 0 HA THR A 70 21.020 -6.913 -2.292 1.00 0.00 H new ATOM 0 HB THR A 70 22.436 -7.019 -4.351 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.702 -4.620 -2.674 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.999 -4.914 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.271 -5.287 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.783 -4.044 -4.544 1.00 0.00 H new ATOM 1154 N GLY A 71 19.031 -4.984 -2.154 1.00 0.00 N ATOM 1155 CA GLY A 71 18.392 -3.821 -1.561 1.00 0.00 C ATOM 1156 C GLY A 71 18.689 -3.738 -0.063 1.00 0.00 C ATOM 1157 O GLY A 71 19.239 -4.672 0.518 1.00 0.00 O ATOM 0 H GLY A 71 18.426 -5.800 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.744 -2.916 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.315 -3.873 -1.720 1.00 0.00 H new ATOM 1161 N SER A 72 18.311 -2.609 0.521 1.00 0.00 N ATOM 1162 CA SER A 72 18.529 -2.391 1.941 1.00 0.00 C ATOM 1163 C SER A 72 17.344 -2.936 2.742 1.00 0.00 C ATOM 1164 O SER A 72 16.328 -3.324 2.168 1.00 0.00 O ATOM 1165 CB SER A 72 18.737 -0.906 2.245 1.00 0.00 C ATOM 1166 OG SER A 72 17.506 -0.189 2.269 1.00 0.00 O ATOM 0 H SER A 72 17.855 -1.836 0.036 1.00 0.00 H new ATOM 0 HA SER A 72 19.434 -2.924 2.234 1.00 0.00 H new ATOM 0 HB2 SER A 72 19.237 -0.800 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 72 19.396 -0.471 1.493 1.00 0.00 H new ATOM 0 HG SER A 72 17.681 0.755 2.468 1.00 0.00 H new ATOM 1172 N GLU A 73 17.516 -2.948 4.056 1.00 0.00 N ATOM 1173 CA GLU A 73 16.474 -3.438 4.941 1.00 0.00 C ATOM 1174 C GLU A 73 15.201 -2.605 4.776 1.00 0.00 C ATOM 1175 O GLU A 73 14.099 -3.150 4.734 1.00 0.00 O ATOM 1176 CB GLU A 73 16.944 -3.436 6.396 1.00 0.00 C ATOM 1177 CG GLU A 73 16.339 -4.609 7.171 1.00 0.00 C ATOM 1178 CD GLU A 73 17.248 -5.032 8.325 1.00 0.00 C ATOM 1179 OE1 GLU A 73 17.534 -4.159 9.173 1.00 0.00 O ATOM 1180 OE2 GLU A 73 17.638 -6.220 8.334 1.00 0.00 O ATOM 0 H GLU A 73 18.361 -2.626 4.528 1.00 0.00 H new ATOM 0 HA GLU A 73 16.249 -4.469 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.032 -3.496 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.661 -2.497 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.360 -4.327 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.184 -5.452 6.498 1.00 0.00 H new ATOM 1187 N GLU A 74 15.395 -1.297 4.687 1.00 0.00 N ATOM 1188 CA GLU A 74 14.277 -0.384 4.527 1.00 0.00 C ATOM 1189 C GLU A 74 13.636 -0.565 3.149 1.00 0.00 C ATOM 1190 O GLU A 74 12.412 -0.608 3.031 1.00 0.00 O ATOM 1191 CB GLU A 74 14.719 1.066 4.739 1.00 0.00 C ATOM 1192 CG GLU A 74 13.672 1.846 5.536 1.00 0.00 C ATOM 1193 CD GLU A 74 13.579 1.330 6.973 1.00 0.00 C ATOM 1194 OE1 GLU A 74 14.645 0.965 7.514 1.00 0.00 O ATOM 1195 OE2 GLU A 74 12.445 1.312 7.498 1.00 0.00 O ATOM 0 H GLU A 74 16.310 -0.848 4.723 1.00 0.00 H new ATOM 0 HA GLU A 74 13.531 -0.618 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.672 1.086 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.879 1.546 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.930 2.905 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.700 1.757 5.051 1.00 0.00 H new ATOM 1202 N LEU A 75 14.491 -0.666 2.142 1.00 0.00 N ATOM 1203 CA LEU A 75 14.022 -0.843 0.778 1.00 0.00 C ATOM 1204 C LEU A 75 13.230 -2.147 0.679 1.00 0.00 C ATOM 1205 O LEU A 75 12.255 -2.231 -0.066 1.00 0.00 O ATOM 1206 CB LEU A 75 15.193 -0.758 -0.204 1.00 0.00 C ATOM 1207 CG LEU A 75 14.888 -1.170 -1.647 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.817 -0.453 -2.629 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.947 -2.689 -1.807 1.00 0.00 C ATOM 0 H LEU A 75 15.505 -0.629 2.243 1.00 0.00 H new ATOM 0 HA LEU A 75 13.342 -0.037 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.563 0.267 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 75 16.001 -1.387 0.170 1.00 0.00 H new ATOM 0 HG LEU A 75 13.870 -0.861 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.580 -0.763 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.682 0.625 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.852 -0.709 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.727 -2.955 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.944 -3.044 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.213 -3.153 -1.149 1.00 0.00 H new ATOM 1221 N ARG A 76 13.678 -3.134 1.443 1.00 0.00 N ATOM 1222 CA ARG A 76 13.022 -4.430 1.451 1.00 0.00 C ATOM 1223 C ARG A 76 11.625 -4.315 2.065 1.00 0.00 C ATOM 1224 O ARG A 76 10.652 -4.809 1.499 1.00 0.00 O ATOM 1225 CB ARG A 76 13.837 -5.454 2.243 1.00 0.00 C ATOM 1226 CG ARG A 76 14.352 -6.570 1.330 1.00 0.00 C ATOM 1227 CD ARG A 76 15.247 -7.540 2.103 1.00 0.00 C ATOM 1228 NE ARG A 76 14.639 -8.889 2.115 1.00 0.00 N ATOM 1229 CZ ARG A 76 15.258 -9.988 2.565 1.00 0.00 C ATOM 1230 NH1 ARG A 76 16.508 -9.905 3.044 1.00 0.00 N ATOM 1231 NH2 ARG A 76 14.629 -11.172 2.538 1.00 0.00 N ATOM 0 H ARG A 76 14.487 -3.061 2.060 1.00 0.00 H new ATOM 0 HA ARG A 76 12.941 -4.767 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.678 -4.958 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.221 -5.882 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.509 -7.111 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.910 -6.137 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.235 -7.581 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.385 -7.185 3.124 1.00 0.00 H new ATOM 0 HE ARG A 76 13.689 -8.988 1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.987 -9.005 3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.979 -10.742 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.678 -11.236 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.101 -12.008 2.881 1.00 0.00 H new ATOM 1245 N SER A 77 11.572 -3.659 3.215 1.00 0.00 N ATOM 1246 CA SER A 77 10.311 -3.472 3.912 1.00 0.00 C ATOM 1247 C SER A 77 9.292 -2.812 2.982 1.00 0.00 C ATOM 1248 O SER A 77 8.148 -3.258 2.892 1.00 0.00 O ATOM 1249 CB SER A 77 10.499 -2.632 5.176 1.00 0.00 C ATOM 1250 OG SER A 77 9.272 -2.431 5.872 1.00 0.00 O ATOM 0 H SER A 77 12.382 -3.250 3.681 1.00 0.00 H new ATOM 0 HA SER A 77 9.938 -4.451 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.213 -3.125 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.926 -1.666 4.909 1.00 0.00 H new ATOM 0 HG SER A 77 8.890 -1.565 5.618 1.00 0.00 H new ATOM 1256 N LEU A 78 9.741 -1.760 2.314 1.00 0.00 N ATOM 1257 CA LEU A 78 8.883 -1.034 1.394 1.00 0.00 C ATOM 1258 C LEU A 78 8.401 -1.984 0.296 1.00 0.00 C ATOM 1259 O LEU A 78 7.214 -2.016 -0.025 1.00 0.00 O ATOM 1260 CB LEU A 78 9.598 0.209 0.861 1.00 0.00 C ATOM 1261 CG LEU A 78 8.696 1.362 0.416 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.683 0.893 -0.630 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.017 2.023 1.616 1.00 0.00 C ATOM 0 H LEU A 78 10.689 -1.393 2.392 1.00 0.00 H new ATOM 0 HA LEU A 78 7.996 -0.666 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.270 0.578 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.219 -0.088 0.016 1.00 0.00 H new ATOM 0 HG LEU A 78 9.320 2.120 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.054 1.732 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.212 0.507 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.060 0.106 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.382 2.839 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.408 1.287 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.776 2.415 2.293 1.00 0.00 H new ATOM 1275 N TYR A 79 9.346 -2.734 -0.251 1.00 0.00 N ATOM 1276 CA TYR A 79 9.033 -3.682 -1.307 1.00 0.00 C ATOM 1277 C TYR A 79 7.991 -4.700 -0.838 1.00 0.00 C ATOM 1278 O TYR A 79 7.067 -5.034 -1.578 1.00 0.00 O ATOM 1279 CB TYR A 79 10.339 -4.414 -1.617 1.00 0.00 C ATOM 1280 CG TYR A 79 10.155 -5.705 -2.419 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.624 -6.824 -1.811 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.519 -5.749 -3.749 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.450 -8.039 -2.566 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.345 -6.963 -4.504 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.819 -8.047 -3.875 1.00 0.00 C ATOM 1286 OH TYR A 79 9.654 -9.194 -4.587 1.00 0.00 O ATOM 0 H TYR A 79 10.330 -2.704 0.017 1.00 0.00 H new ATOM 0 HA TYR A 79 8.626 -3.167 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.996 -3.744 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.843 -4.650 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.339 -6.789 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.935 -4.873 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.036 -8.923 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.626 -7.011 -5.546 1.00 0.00 H new ATOM 0 HH TYR A 79 9.488 -8.974 -5.528 1.00 0.00 H new ATOM 1296 N ASN A 80 8.175 -5.164 0.390 1.00 0.00 N ATOM 1297 CA ASN A 80 7.262 -6.138 0.966 1.00 0.00 C ATOM 1298 C ASN A 80 5.852 -5.545 1.007 1.00 0.00 C ATOM 1299 O ASN A 80 4.882 -6.217 0.657 1.00 0.00 O ATOM 1300 CB ASN A 80 7.667 -6.493 2.397 1.00 0.00 C ATOM 1301 CG ASN A 80 8.955 -7.319 2.415 1.00 0.00 C ATOM 1302 OD1 ASN A 80 9.790 -7.232 1.529 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.067 -8.123 3.467 1.00 0.00 N ATOM 0 H ASN A 80 8.942 -4.884 1.001 1.00 0.00 H new ATOM 0 HA ASN A 80 7.293 -7.036 0.349 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.808 -5.580 2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.865 -7.054 2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.890 -8.717 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.330 -8.146 4.172 1.00 0.00 H new ATOM 1310 N THR A 81 5.781 -4.295 1.437 1.00 0.00 N ATOM 1311 CA THR A 81 4.506 -3.604 1.529 1.00 0.00 C ATOM 1312 C THR A 81 3.851 -3.511 0.149 1.00 0.00 C ATOM 1313 O THR A 81 2.642 -3.701 0.018 1.00 0.00 O ATOM 1314 CB THR A 81 4.752 -2.241 2.177 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.437 -2.552 3.388 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.456 -1.572 2.643 1.00 0.00 C ATOM 0 H THR A 81 6.587 -3.741 1.726 1.00 0.00 H new ATOM 0 HA THR A 81 3.802 -4.154 2.153 1.00 0.00 H new ATOM 0 HB THR A 81 5.263 -1.589 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.397 -2.636 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.687 -0.608 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.796 -1.423 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.962 -2.208 3.377 1.00 0.00 H new ATOM 1324 N ILE A 82 4.676 -3.219 -0.845 1.00 0.00 N ATOM 1325 CA ILE A 82 4.191 -3.098 -2.210 1.00 0.00 C ATOM 1326 C ILE A 82 3.595 -4.435 -2.654 1.00 0.00 C ATOM 1327 O ILE A 82 2.508 -4.473 -3.228 1.00 0.00 O ATOM 1328 CB ILE A 82 5.301 -2.584 -3.129 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.583 -1.102 -2.873 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.970 -2.860 -4.597 1.00 0.00 C ATOM 1331 CD1 ILE A 82 4.557 -0.218 -3.587 1.00 0.00 C ATOM 0 H ILE A 82 5.678 -3.062 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 82 3.393 -2.358 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 82 6.216 -3.130 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.557 -0.903 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.586 -0.854 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.775 -2.485 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.860 -3.934 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.039 -2.359 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.780 0.830 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.602 -0.402 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.557 -0.452 -3.221 1.00 0.00 H new ATOM 1343 N ALA A 83 4.332 -5.499 -2.373 1.00 0.00 N ATOM 1344 CA ALA A 83 3.890 -6.834 -2.737 1.00 0.00 C ATOM 1345 C ALA A 83 2.519 -7.100 -2.113 1.00 0.00 C ATOM 1346 O ALA A 83 1.627 -7.636 -2.770 1.00 0.00 O ATOM 1347 CB ALA A 83 4.940 -7.858 -2.298 1.00 0.00 C ATOM 0 H ALA A 83 5.233 -5.464 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 83 3.783 -6.921 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.608 -8.860 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.887 -7.642 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.073 -7.802 -1.218 1.00 0.00 H new ATOM 1353 N VAL A 84 2.393 -6.713 -0.852 1.00 0.00 N ATOM 1354 CA VAL A 84 1.146 -6.902 -0.132 1.00 0.00 C ATOM 1355 C VAL A 84 0.040 -6.095 -0.815 1.00 0.00 C ATOM 1356 O VAL A 84 -1.101 -6.547 -0.898 1.00 0.00 O ATOM 1357 CB VAL A 84 1.331 -6.535 1.343 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.004 -6.151 1.983 1.00 0.00 C ATOM 1359 CG2 VAL A 84 2.001 -7.675 2.111 1.00 0.00 C ATOM 0 H VAL A 84 3.135 -6.269 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 84 0.846 -7.950 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 84 1.988 -5.667 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.155 -5.895 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.425 -5.293 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.695 -6.992 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.121 -7.389 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.381 -8.569 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.979 -7.881 1.677 1.00 0.00 H new ATOM 1369 N LEU A 85 0.417 -4.916 -1.285 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.529 -4.041 -1.957 1.00 0.00 C ATOM 1371 C LEU A 85 -1.039 -4.729 -3.227 1.00 0.00 C ATOM 1372 O LEU A 85 -2.215 -4.613 -3.569 1.00 0.00 O ATOM 1373 CB LEU A 85 0.098 -2.669 -2.212 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.859 -1.574 -2.691 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.568 -1.992 -3.981 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -1.849 -1.190 -1.591 1.00 0.00 C ATOM 0 H LEU A 85 1.365 -4.545 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.396 -3.857 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.573 -2.332 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.888 -2.784 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.273 -0.684 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.242 -1.197 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.828 -2.175 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.140 -2.903 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.517 -0.411 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.434 -2.065 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.303 -0.821 -0.723 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.129 -5.428 -3.888 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.472 -6.134 -5.111 1.00 0.00 C ATOM 1390 C TYR A 86 -1.249 -7.416 -4.805 1.00 0.00 C ATOM 1391 O TYR A 86 -2.146 -7.798 -5.555 1.00 0.00 O ATOM 1392 CB TYR A 86 0.857 -6.503 -5.772 1.00 0.00 C ATOM 1393 CG TYR A 86 0.746 -7.614 -6.818 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.449 -7.301 -8.129 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.941 -8.930 -6.450 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.343 -8.347 -9.112 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.836 -9.976 -7.434 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.542 -9.632 -8.716 1.00 0.00 C ATOM 1399 OH TYR A 86 0.442 -10.621 -9.645 1.00 0.00 O ATOM 0 H TYR A 86 0.845 -5.521 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.098 -5.512 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.275 -5.614 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.561 -6.814 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.296 -6.271 -8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.172 -9.175 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.111 -8.116 -10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.987 -11.010 -7.160 1.00 0.00 H new ATOM 0 HH TYR A 86 1.328 -11.006 -9.809 1.00 0.00 H new ATOM 1409 N CYS A 87 -0.876 -8.046 -3.701 1.00 0.00 N ATOM 1410 CA CYS A 87 -1.527 -9.278 -3.285 1.00 0.00 C ATOM 1411 C CYS A 87 -3.004 -8.977 -3.029 1.00 0.00 C ATOM 1412 O CYS A 87 -3.873 -9.778 -3.373 1.00 0.00 O ATOM 1413 CB CYS A 87 -0.847 -9.891 -2.059 1.00 0.00 C ATOM 1414 SG CYS A 87 0.216 -11.291 -2.567 1.00 0.00 S ATOM 0 H CYS A 87 -0.131 -7.727 -3.081 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.441 -10.023 -4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.249 -9.136 -1.549 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.600 -10.234 -1.349 1.00 0.00 H new ATOM 0 HG CYS A 87 0.790 -11.803 -1.519 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.245 -7.823 -2.427 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.603 -7.407 -2.120 1.00 0.00 C ATOM 1422 C VAL A 88 -5.309 -6.992 -3.413 1.00 0.00 C ATOM 1423 O VAL A 88 -6.440 -7.405 -3.666 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.586 -6.297 -1.068 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -4.841 -4.930 -1.707 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -5.598 -6.580 0.044 1.00 0.00 C ATOM 0 H VAL A 88 -2.522 -7.162 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.167 -8.235 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.593 -6.276 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.824 -4.159 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.066 -4.723 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.815 -4.933 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.566 -5.776 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.599 -6.642 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.351 -7.525 0.529 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.613 -6.183 -4.198 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.159 -5.709 -5.458 1.00 0.00 C ATOM 1438 C HIS A 89 -5.625 -6.902 -6.296 1.00 0.00 C ATOM 1439 O HIS A 89 -6.666 -6.838 -6.947 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.146 -4.828 -6.191 1.00 0.00 C ATOM 1441 CG HIS A 89 -4.433 -3.349 -6.091 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -5.715 -2.839 -5.976 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -3.590 -2.276 -6.087 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -5.636 -1.518 -5.908 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -4.318 -1.171 -5.978 1.00 0.00 N ATOM 0 H HIS A 89 -3.675 -5.844 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.029 -5.081 -5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.152 -5.023 -5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.126 -5.113 -7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -2.513 -2.318 -6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -6.468 -0.836 -5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.952 -0.219 -5.951 1.00 0.00 H new ATOM 1454 N GLN A 90 -4.830 -7.960 -6.252 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.147 -9.166 -6.999 1.00 0.00 C ATOM 1456 C GLN A 90 -6.060 -10.077 -6.176 1.00 0.00 C ATOM 1457 O GLN A 90 -6.682 -10.989 -6.715 1.00 0.00 O ATOM 1458 CB GLN A 90 -3.874 -9.902 -7.421 1.00 0.00 C ATOM 1459 CG GLN A 90 -3.563 -9.657 -8.899 1.00 0.00 C ATOM 1460 CD GLN A 90 -4.122 -10.784 -9.770 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -4.047 -11.955 -9.438 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -4.686 -10.365 -10.900 1.00 0.00 N ATOM 0 H GLN A 90 -3.967 -8.008 -5.711 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.677 -8.877 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.036 -9.567 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.992 -10.971 -7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.991 -8.704 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.485 -9.584 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.715 -9.369 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.089 -11.040 -11.549 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.110 -9.796 -4.882 1.00 0.00 N ATOM 1472 CA ARG A 91 -6.936 -10.579 -3.978 1.00 0.00 C ATOM 1473 C ARG A 91 -6.309 -11.955 -3.745 1.00 0.00 C ATOM 1474 O ARG A 91 -6.908 -12.978 -4.075 1.00 0.00 O ATOM 1475 CB ARG A 91 -8.348 -10.758 -4.538 1.00 0.00 C ATOM 1476 CG ARG A 91 -9.391 -10.716 -3.418 1.00 0.00 C ATOM 1477 CD ARG A 91 -10.666 -10.008 -3.883 1.00 0.00 C ATOM 1478 NE ARG A 91 -11.673 -10.019 -2.798 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.772 -9.251 -2.787 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -13.012 -8.410 -3.801 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -13.631 -9.327 -1.761 1.00 0.00 N ATOM 0 H ARG A 91 -5.592 -9.037 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.998 -10.039 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.557 -9.973 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.415 -11.708 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.630 -11.731 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.979 -10.199 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.438 -8.981 -4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.066 -10.504 -4.767 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.522 -10.649 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.359 -8.353 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.848 -7.826 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.448 -9.969 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.467 -8.743 -1.752 1.00 0.00 H new ATOM 1495 N ILE A 92 -5.112 -11.937 -3.176 1.00 0.00 N ATOM 1496 CA ILE A 92 -4.399 -13.171 -2.896 1.00 0.00 C ATOM 1497 C ILE A 92 -4.354 -13.396 -1.383 1.00 0.00 C ATOM 1498 O ILE A 92 -3.924 -12.520 -0.634 1.00 0.00 O ATOM 1499 CB ILE A 92 -3.018 -13.153 -3.555 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -3.139 -13.175 -5.080 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -2.146 -14.297 -3.033 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -2.173 -12.176 -5.721 1.00 0.00 C ATOM 0 H ILE A 92 -4.619 -11.087 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.924 -14.022 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.522 -12.221 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.929 -14.178 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.162 -12.935 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.170 -14.261 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.020 -14.196 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.626 -15.250 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.279 -12.212 -6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.401 -11.171 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.150 -12.433 -5.448 1.00 0.00 H new ATOM 1514 N ASP A 93 -4.806 -14.574 -0.979 1.00 0.00 N ATOM 1515 CA ASP A 93 -4.824 -14.925 0.431 1.00 0.00 C ATOM 1516 C ASP A 93 -3.525 -14.451 1.087 1.00 0.00 C ATOM 1517 O ASP A 93 -2.435 -14.792 0.631 1.00 0.00 O ATOM 1518 CB ASP A 93 -4.923 -16.440 0.620 1.00 0.00 C ATOM 1519 CG ASP A 93 -4.036 -17.268 -0.311 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -4.341 -17.281 -1.523 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -3.070 -17.867 0.210 1.00 0.00 O ATOM 0 H ASP A 93 -5.163 -15.298 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.691 -14.447 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.664 -16.680 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.960 -16.742 0.473 1.00 0.00 H new ATOM 1526 N VAL A 94 -3.685 -13.672 2.147 1.00 0.00 N ATOM 1527 CA VAL A 94 -2.538 -13.148 2.870 1.00 0.00 C ATOM 1528 C VAL A 94 -2.872 -13.071 4.360 1.00 0.00 C ATOM 1529 O VAL A 94 -4.020 -13.272 4.754 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.121 -11.798 2.280 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.369 -11.986 0.960 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.332 -10.882 2.096 1.00 0.00 C ATOM 0 H VAL A 94 -4.591 -13.391 2.522 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.682 -13.814 2.763 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.444 -11.318 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.084 -11.012 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.474 -12.583 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.013 -12.497 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.008 -9.930 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.045 -11.353 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.807 -10.709 3.061 1.00 0.00 H new ATOM 1542 N LYS A 95 -1.849 -12.779 5.150 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.019 -12.674 6.588 1.00 0.00 C ATOM 1544 C LYS A 95 -0.901 -11.806 7.168 1.00 0.00 C ATOM 1545 O LYS A 95 -1.156 -10.923 7.987 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.109 -14.064 7.221 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.550 -14.579 7.212 1.00 0.00 C ATOM 1548 CD LYS A 95 -3.733 -15.713 8.222 1.00 0.00 C ATOM 1549 CE LYS A 95 -4.221 -15.175 9.568 1.00 0.00 C ATOM 1550 NZ LYS A 95 -5.693 -15.293 9.670 1.00 0.00 N ATOM 0 H LYS A 95 -0.898 -12.612 4.820 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.962 -12.180 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.468 -14.757 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.739 -14.025 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.233 -13.763 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.808 -14.932 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.449 -16.438 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.788 -16.240 8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.749 -15.728 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.925 -14.132 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.008 -14.923 10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.139 -14.746 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.968 -16.293 9.586 1.00 0.00 H new ATOM 1564 N ASP A 96 0.314 -12.085 6.721 1.00 0.00 N ATOM 1565 CA ASP A 96 1.473 -11.341 7.185 1.00 0.00 C ATOM 1566 C ASP A 96 2.334 -10.945 5.983 1.00 0.00 C ATOM 1567 O ASP A 96 2.166 -11.484 4.891 1.00 0.00 O ATOM 1568 CB ASP A 96 2.332 -12.189 8.124 1.00 0.00 C ATOM 1569 CG ASP A 96 2.296 -13.694 7.851 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.296 -14.321 8.259 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.271 -14.183 7.241 1.00 0.00 O ATOM 0 H ASP A 96 0.522 -12.817 6.042 1.00 0.00 H new ATOM 0 HA ASP A 96 1.117 -10.460 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.365 -11.847 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.006 -12.013 9.149 1.00 0.00 H new ATOM 1576 N THR A 97 3.237 -10.007 6.227 1.00 0.00 N ATOM 1577 CA THR A 97 4.125 -9.534 5.179 1.00 0.00 C ATOM 1578 C THR A 97 4.970 -10.686 4.634 1.00 0.00 C ATOM 1579 O THR A 97 5.291 -10.719 3.447 1.00 0.00 O ATOM 1580 CB THR A 97 4.959 -8.385 5.750 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.811 -8.005 4.672 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.926 -8.850 6.842 1.00 0.00 C ATOM 0 H THR A 97 3.373 -9.562 7.135 1.00 0.00 H new ATOM 0 HA THR A 97 3.563 -9.155 4.326 1.00 0.00 H new ATOM 0 HB THR A 97 4.295 -7.620 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.386 -7.264 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.493 -7.996 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.362 -9.295 7.662 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.612 -9.590 6.430 1.00 0.00 H new ATOM 1590 N LYS A 98 5.307 -11.605 5.528 1.00 0.00 N ATOM 1591 CA LYS A 98 6.109 -12.756 5.151 1.00 0.00 C ATOM 1592 C LYS A 98 5.274 -13.686 4.269 1.00 0.00 C ATOM 1593 O LYS A 98 5.778 -14.239 3.292 1.00 0.00 O ATOM 1594 CB LYS A 98 6.682 -13.439 6.395 1.00 0.00 C ATOM 1595 CG LYS A 98 7.397 -14.740 6.025 1.00 0.00 C ATOM 1596 CD LYS A 98 6.429 -15.924 6.048 1.00 0.00 C ATOM 1597 CE LYS A 98 6.859 -16.963 7.086 1.00 0.00 C ATOM 1598 NZ LYS A 98 7.508 -18.118 6.425 1.00 0.00 N ATOM 0 H LYS A 98 5.039 -11.575 6.512 1.00 0.00 H new ATOM 0 HA LYS A 98 6.971 -12.444 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.379 -12.766 6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.879 -13.649 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.839 -14.647 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.215 -14.921 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.423 -15.572 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.389 -16.385 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.548 -16.510 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.991 -17.301 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.794 -18.814 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.839 -18.560 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.348 -17.793 5.904 1.00 0.00 H new ATOM 1612 N GLU A 99 4.012 -13.832 4.644 1.00 0.00 N ATOM 1613 CA GLU A 99 3.103 -14.686 3.900 1.00 0.00 C ATOM 1614 C GLU A 99 2.965 -14.187 2.459 1.00 0.00 C ATOM 1615 O GLU A 99 3.065 -14.969 1.515 1.00 0.00 O ATOM 1616 CB GLU A 99 1.738 -14.764 4.585 1.00 0.00 C ATOM 1617 CG GLU A 99 1.218 -16.204 4.612 1.00 0.00 C ATOM 1618 CD GLU A 99 1.804 -16.976 5.796 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.335 -16.723 6.927 1.00 0.00 O ATOM 1620 OE2 GLU A 99 2.708 -17.802 5.544 1.00 0.00 O ATOM 0 H GLU A 99 3.597 -13.372 5.455 1.00 0.00 H new ATOM 0 HA GLU A 99 3.519 -15.693 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.816 -14.383 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.027 -14.127 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.130 -16.200 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.479 -16.706 3.681 1.00 0.00 H new ATOM 1627 N ALA A 100 2.739 -12.887 2.337 1.00 0.00 N ATOM 1628 CA ALA A 100 2.586 -12.274 1.029 1.00 0.00 C ATOM 1629 C ALA A 100 3.921 -12.336 0.283 1.00 0.00 C ATOM 1630 O ALA A 100 3.946 -12.481 -0.938 1.00 0.00 O ATOM 1631 CB ALA A 100 2.076 -10.841 1.192 1.00 0.00 C ATOM 0 H ALA A 100 2.658 -12.242 3.123 1.00 0.00 H new ATOM 0 HA ALA A 100 1.850 -12.816 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.961 -10.382 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.112 -10.853 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.790 -10.265 1.781 1.00 0.00 H new ATOM 1637 N LEU A 101 4.996 -12.223 1.048 1.00 0.00 N ATOM 1638 CA LEU A 101 6.330 -12.264 0.476 1.00 0.00 C ATOM 1639 C LEU A 101 6.576 -13.645 -0.135 1.00 0.00 C ATOM 1640 O LEU A 101 7.089 -13.754 -1.249 1.00 0.00 O ATOM 1641 CB LEU A 101 7.374 -11.859 1.519 1.00 0.00 C ATOM 1642 CG LEU A 101 8.022 -10.487 1.320 1.00 0.00 C ATOM 1643 CD1 LEU A 101 9.165 -10.561 0.306 1.00 0.00 C ATOM 1644 CD2 LEU A 101 6.978 -9.438 0.932 1.00 0.00 C ATOM 0 H LEU A 101 4.970 -12.103 2.061 1.00 0.00 H new ATOM 0 HA LEU A 101 6.420 -11.537 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.903 -11.878 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.161 -12.613 1.528 1.00 0.00 H new ATOM 0 HG LEU A 101 8.455 -10.174 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.608 -9.572 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.924 -11.257 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.779 -10.907 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.465 -8.472 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.494 -9.734 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.230 -9.360 1.721 1.00 0.00 H new ATOM 1656 N ASP A 102 6.197 -14.666 0.619 1.00 0.00 N ATOM 1657 CA ASP A 102 6.370 -16.036 0.165 1.00 0.00 C ATOM 1658 C ASP A 102 5.381 -16.323 -0.967 1.00 0.00 C ATOM 1659 O ASP A 102 5.712 -17.026 -1.920 1.00 0.00 O ATOM 1660 CB ASP A 102 6.094 -17.030 1.296 1.00 0.00 C ATOM 1661 CG ASP A 102 6.249 -18.503 0.914 1.00 0.00 C ATOM 1662 OD1 ASP A 102 7.203 -18.797 0.162 1.00 0.00 O ATOM 1663 OD2 ASP A 102 5.410 -19.302 1.382 1.00 0.00 O ATOM 0 H ASP A 102 5.771 -14.573 1.541 1.00 0.00 H new ATOM 0 HA ASP A 102 7.400 -16.151 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.769 -16.812 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.080 -16.870 1.661 1.00 0.00 H new ATOM 1668 N LYS A 103 4.190 -15.761 -0.825 1.00 0.00 N ATOM 1669 CA LYS A 103 3.151 -15.947 -1.824 1.00 0.00 C ATOM 1670 C LYS A 103 3.639 -15.400 -3.168 1.00 0.00 C ATOM 1671 O LYS A 103 3.537 -16.075 -4.191 1.00 0.00 O ATOM 1672 CB LYS A 103 1.835 -15.329 -1.350 1.00 0.00 C ATOM 1673 CG LYS A 103 0.766 -16.405 -1.148 1.00 0.00 C ATOM 1674 CD LYS A 103 0.333 -17.007 -2.487 1.00 0.00 C ATOM 1675 CE LYS A 103 0.152 -18.522 -2.375 1.00 0.00 C ATOM 1676 NZ LYS A 103 -1.263 -18.892 -2.597 1.00 0.00 N ATOM 0 H LYS A 103 3.921 -15.177 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 103 2.945 -17.008 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.997 -14.792 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.488 -14.599 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.154 -17.191 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.098 -15.974 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.602 -16.549 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.079 -16.782 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.785 -19.025 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.472 -18.861 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.369 -19.924 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.860 -18.427 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.557 -18.586 -3.547 1.00 0.00 H new ATOM 1690 N ILE A 104 4.158 -14.181 -3.121 1.00 0.00 N ATOM 1691 CA ILE A 104 4.660 -13.536 -4.322 1.00 0.00 C ATOM 1692 C ILE A 104 5.927 -14.257 -4.791 1.00 0.00 C ATOM 1693 O ILE A 104 6.172 -14.371 -5.992 1.00 0.00 O ATOM 1694 CB ILE A 104 4.858 -12.038 -4.082 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.546 -11.370 -3.671 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.486 -11.365 -5.305 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.755 -10.912 -4.899 1.00 0.00 C ATOM 0 H ILE A 104 4.241 -13.624 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 104 3.932 -13.613 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 104 5.555 -11.914 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.946 -12.068 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.755 -10.514 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.616 -10.301 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.456 -11.817 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.834 -11.497 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.826 -10.440 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.348 -10.196 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.527 -11.773 -5.527 1.00 0.00 H new ATOM 1709 N GLU A 105 6.697 -14.725 -3.820 1.00 0.00 N ATOM 1710 CA GLU A 105 7.931 -15.430 -4.118 1.00 0.00 C ATOM 1711 C GLU A 105 7.632 -16.724 -4.878 1.00 0.00 C ATOM 1712 O GLU A 105 8.353 -17.083 -5.807 1.00 0.00 O ATOM 1713 CB GLU A 105 8.723 -15.716 -2.841 1.00 0.00 C ATOM 1714 CG GLU A 105 9.938 -14.795 -2.730 1.00 0.00 C ATOM 1715 CD GLU A 105 9.664 -13.640 -1.764 1.00 0.00 C ATOM 1716 OE1 GLU A 105 9.426 -13.940 -0.575 1.00 0.00 O ATOM 1717 OE2 GLU A 105 9.700 -12.483 -2.237 1.00 0.00 O ATOM 0 H GLU A 105 6.490 -14.630 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 105 8.546 -14.792 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.079 -15.580 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.049 -16.756 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.801 -15.365 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.190 -14.399 -3.714 1.00 0.00 H new