USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 983 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 56 ASN : amide:sc= 0.213 K(o=0.85,f=-2.8!) USER MOD Set 1.2: A 122 THR OG1 : rot 109:sc= 0.642 USER MOD Set 2.1: A 70 TYR OH : rot -140:sc= -0.238 USER MOD Set 2.2: A 71 GLN : amide:sc= -13.5! C(o=-14!,f=-6!) USER MOD Set 3.1: A 38 GLN : amide:sc= -2.7 K(o=-2.8,f=-1.8) USER MOD Set 3.2: A 44 SER OG : rot -38:sc= -0.125 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc=-0.00278 (180deg=-0.174) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= -2.96 (180deg=-3.08!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0113 (180deg=-0.242) USER MOD Single : A 30 TYR OH : rot 180:sc= -3.44! USER MOD Single : A 35 THR OG1 : rot -82:sc= 0.719 USER MOD Single : A 40 ASN : amide:sc= -3.93! C(o=-3.9!,f=-6.4!) USER MOD Single : A 49 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.65) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0484 USER MOD Single : A 55 GLN : amide:sc= -8.94! C(o=-8.9!,f=-3.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-4.9!) USER MOD Single : A 63 THR OG1 : rot -67:sc= 0.0658 USER MOD Single : A 69 ASN : amide:sc= -1.69 K(o=-1.7,f=-8!) USER MOD Single : A 73 THR OG1 : rot 69:sc= 0.359 USER MOD Single : A 74 ASN : amide:sc= -5.32! C(o=-5.3!,f=-7.8!) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= -0.0156 (180deg=-0.434) USER MOD Single : A 79 LYS NZ :NH3+ -142:sc= -0.349 (180deg=-1.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 49:sc= 1 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.00068) USER MOD Single : A 92 THR OG1 : rot 2:sc= 0.228 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.102) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.198 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 120:sc= -1.84! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -113:sc= -1.35 (180deg=-1.41) USER MOD Single : A 120 GLN : amide:sc= -4.54! C(o=-4.5!,f=-6.9!) USER MOD Single : A 125 THR OG1 : rot 154:sc= -0.332 USER MOD Single : A 126 CYS SG : rot -72:sc= -3.99! USER MOD Single : A 129 TYR OH : rot 180:sc= -0.726 USER MOD Single : A 130 ASN : amide:sc= -8.51! K(o=-8.5!,f=0.43) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 138 LYS NZ :NH3+ 160:sc= -0.0142 (180deg=-0.286) USER MOD Single : A 140 LYS NZ :NH3+ -160:sc=-0.00695 (180deg=-0.195) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 7 12.042 10.850 0.697 1.00 0.00 N ATOM 101 CA ILE A 7 10.602 11.051 1.056 1.00 0.00 C ATOM 102 C ILE A 7 10.340 12.565 1.156 1.00 0.00 C ATOM 103 O ILE A 7 10.555 13.160 2.193 1.00 0.00 O ATOM 104 CB ILE A 7 10.297 10.419 2.433 1.00 0.00 C ATOM 105 CG1 ILE A 7 10.857 8.984 2.541 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.782 10.395 2.657 1.00 0.00 C ATOM 107 CD1 ILE A 7 10.000 7.990 1.740 1.00 0.00 C ATOM 0 HA ILE A 7 9.973 10.585 0.298 1.00 0.00 H new ATOM 0 HB ILE A 7 10.783 11.026 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.883 8.963 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.888 8.681 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.565 9.950 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.394 11.413 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.308 9.805 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.420 6.989 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.981 7.995 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.991 8.281 0.690 1.00 0.00 H new ATOM 119 N PRO A 8 9.878 13.190 0.095 1.00 0.00 N ATOM 120 CA PRO A 8 9.589 14.658 0.090 1.00 0.00 C ATOM 121 C PRO A 8 8.684 15.081 1.255 1.00 0.00 C ATOM 122 O PRO A 8 8.110 14.257 1.939 1.00 0.00 O ATOM 123 CB PRO A 8 8.888 14.888 -1.259 1.00 0.00 C ATOM 124 CG PRO A 8 9.375 13.781 -2.137 1.00 0.00 C ATOM 125 CD PRO A 8 9.589 12.579 -1.215 1.00 0.00 C ATOM 0 HA PRO A 8 10.496 15.250 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.804 14.859 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.141 15.863 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.648 13.551 -2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.302 14.059 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.704 11.943 -1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.415 11.955 -1.556 1.00 0.00 H new ATOM 133 N LYS A 9 8.555 16.365 1.481 1.00 0.00 N ATOM 134 CA LYS A 9 7.690 16.860 2.596 1.00 0.00 C ATOM 135 C LYS A 9 6.362 17.355 2.020 1.00 0.00 C ATOM 136 O LYS A 9 5.399 17.557 2.736 1.00 0.00 O ATOM 137 CB LYS A 9 8.389 18.025 3.311 1.00 0.00 C ATOM 138 CG LYS A 9 9.728 17.557 3.925 1.00 0.00 C ATOM 139 CD LYS A 9 10.878 17.746 2.923 1.00 0.00 C ATOM 140 CE LYS A 9 12.208 17.445 3.612 1.00 0.00 C ATOM 141 NZ LYS A 9 12.570 18.580 4.507 1.00 0.00 N ATOM 0 H LYS A 9 9.015 17.096 0.938 1.00 0.00 H new ATOM 0 HA LYS A 9 7.511 16.050 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.569 18.837 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.742 18.420 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.934 18.122 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.656 16.508 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.742 17.085 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.877 18.767 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.131 16.523 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.989 17.291 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.580 18.523 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.381 19.480 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.002 18.531 5.377 1.00 0.00 H new ATOM 155 N ASP A 10 6.303 17.558 0.732 1.00 0.00 N ATOM 156 CA ASP A 10 5.040 18.046 0.107 1.00 0.00 C ATOM 157 C ASP A 10 4.040 16.893 -0.001 1.00 0.00 C ATOM 158 O ASP A 10 4.189 16.002 -0.815 1.00 0.00 O ATOM 159 CB ASP A 10 5.345 18.593 -1.288 1.00 0.00 C ATOM 160 CG ASP A 10 6.420 19.676 -1.188 1.00 0.00 C ATOM 161 OD1 ASP A 10 7.439 19.416 -0.567 1.00 0.00 O ATOM 162 OD2 ASP A 10 6.209 20.747 -1.732 1.00 0.00 O ATOM 0 H ASP A 10 7.076 17.407 0.084 1.00 0.00 H new ATOM 0 HA ASP A 10 4.611 18.836 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.685 17.788 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.440 19.004 -1.735 1.00 0.00 H new ATOM 167 N LYS A 11 3.020 16.908 0.811 1.00 0.00 N ATOM 168 CA LYS A 11 2.005 15.820 0.759 1.00 0.00 C ATOM 169 C LYS A 11 1.359 15.796 -0.631 1.00 0.00 C ATOM 170 O LYS A 11 0.539 14.950 -0.925 1.00 0.00 O ATOM 171 CB LYS A 11 0.921 16.075 1.820 1.00 0.00 C ATOM 172 CG LYS A 11 1.442 15.752 3.245 1.00 0.00 C ATOM 173 CD LYS A 11 2.025 17.017 3.914 1.00 0.00 C ATOM 174 CE LYS A 11 0.916 17.790 4.644 1.00 0.00 C ATOM 175 NZ LYS A 11 -0.360 17.680 3.881 1.00 0.00 N ATOM 0 H LYS A 11 2.845 17.629 1.511 1.00 0.00 H new ATOM 0 HA LYS A 11 2.488 14.863 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.602 17.116 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.045 15.463 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.629 15.355 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.207 14.978 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.808 16.737 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.488 17.655 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.784 17.392 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.199 18.837 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.120 18.161 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.246 18.125 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.606 16.677 3.759 1.00 0.00 H new ATOM 189 N SER A 12 1.723 16.725 -1.484 1.00 0.00 N ATOM 190 CA SER A 12 1.137 16.777 -2.863 1.00 0.00 C ATOM 191 C SER A 12 2.243 16.551 -3.897 1.00 0.00 C ATOM 192 O SER A 12 2.318 17.234 -4.898 1.00 0.00 O ATOM 193 CB SER A 12 0.508 18.152 -3.093 1.00 0.00 C ATOM 194 OG SER A 12 1.509 19.153 -2.969 1.00 0.00 O ATOM 0 H SER A 12 2.406 17.455 -1.282 1.00 0.00 H new ATOM 0 HA SER A 12 0.378 16.002 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.054 18.196 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.288 18.326 -2.369 1.00 0.00 H new ATOM 0 HG SER A 12 1.109 20.035 -3.118 1.00 0.00 H new ATOM 200 N LYS A 13 3.098 15.592 -3.664 1.00 0.00 N ATOM 201 CA LYS A 13 4.198 15.314 -4.637 1.00 0.00 C ATOM 202 C LYS A 13 4.562 13.832 -4.576 1.00 0.00 C ATOM 203 O LYS A 13 4.807 13.283 -3.522 1.00 0.00 O ATOM 204 CB LYS A 13 5.424 16.164 -4.292 1.00 0.00 C ATOM 205 CG LYS A 13 6.406 16.140 -5.466 1.00 0.00 C ATOM 206 CD LYS A 13 7.712 16.835 -5.062 1.00 0.00 C ATOM 207 CE LYS A 13 7.451 18.316 -4.768 1.00 0.00 C ATOM 208 NZ LYS A 13 8.726 19.076 -4.893 1.00 0.00 N ATOM 0 H LYS A 13 3.084 14.988 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 13 3.865 15.566 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.121 17.189 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.905 15.779 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.607 15.111 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.968 16.641 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.134 16.350 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.447 16.739 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.709 18.711 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.042 18.433 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.552 20.082 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.420 18.704 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.098 18.974 -5.859 1.00 0.00 H new ATOM 222 N VAL A 14 4.585 13.178 -5.701 1.00 0.00 N ATOM 223 CA VAL A 14 4.906 11.725 -5.717 1.00 0.00 C ATOM 224 C VAL A 14 6.248 11.446 -5.041 1.00 0.00 C ATOM 225 O VAL A 14 7.096 12.307 -4.920 1.00 0.00 O ATOM 226 CB VAL A 14 4.979 11.234 -7.166 1.00 0.00 C ATOM 227 CG1 VAL A 14 5.182 9.708 -7.183 1.00 0.00 C ATOM 228 CG2 VAL A 14 3.684 11.606 -7.908 1.00 0.00 C ATOM 0 H VAL A 14 4.394 13.589 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 14 4.121 11.202 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 14 5.821 11.710 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.234 9.359 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.110 9.459 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.346 9.224 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.741 11.254 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.833 11.139 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.559 12.689 -7.901 1.00 0.00 H new ATOM 238 N ALA A 15 6.436 10.225 -4.618 1.00 0.00 N ATOM 239 CA ALA A 15 7.714 9.819 -3.959 1.00 0.00 C ATOM 240 C ALA A 15 8.079 8.413 -4.442 1.00 0.00 C ATOM 241 O ALA A 15 9.057 7.829 -4.019 1.00 0.00 O ATOM 242 CB ALA A 15 7.527 9.807 -2.440 1.00 0.00 C ATOM 0 H ALA A 15 5.747 9.478 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 15 8.508 10.522 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.460 9.511 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.245 10.804 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.742 9.098 -2.176 1.00 0.00 H new ATOM 248 N GLY A 16 7.287 7.868 -5.329 1.00 0.00 N ATOM 249 CA GLY A 16 7.564 6.504 -5.856 1.00 0.00 C ATOM 250 C GLY A 16 6.399 6.066 -6.748 1.00 0.00 C ATOM 251 O GLY A 16 5.481 6.823 -7.000 1.00 0.00 O ATOM 0 H GLY A 16 6.454 8.316 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.494 6.502 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.692 5.801 -5.033 1.00 0.00 H new ATOM 255 N TYR A 17 6.424 4.852 -7.229 1.00 0.00 N ATOM 256 CA TYR A 17 5.314 4.371 -8.109 1.00 0.00 C ATOM 257 C TYR A 17 5.134 2.863 -7.955 1.00 0.00 C ATOM 258 O TYR A 17 6.063 2.098 -8.124 1.00 0.00 O ATOM 259 CB TYR A 17 5.646 4.661 -9.577 1.00 0.00 C ATOM 260 CG TYR A 17 5.880 6.137 -9.786 1.00 0.00 C ATOM 261 CD1 TYR A 17 7.125 6.698 -9.481 1.00 0.00 C ATOM 262 CD2 TYR A 17 4.857 6.939 -10.304 1.00 0.00 C ATOM 263 CE1 TYR A 17 7.346 8.065 -9.690 1.00 0.00 C ATOM 264 CE2 TYR A 17 5.079 8.304 -10.517 1.00 0.00 C ATOM 265 CZ TYR A 17 6.324 8.867 -10.209 1.00 0.00 C ATOM 266 OH TYR A 17 6.543 10.213 -10.419 1.00 0.00 O ATOM 0 H TYR A 17 7.163 4.172 -7.052 1.00 0.00 H new ATOM 0 HA TYR A 17 4.401 4.889 -7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.533 4.101 -9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.829 4.323 -10.214 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.915 6.077 -9.085 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.897 6.505 -10.539 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.305 8.500 -9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.291 8.923 -10.919 1.00 0.00 H new ATOM 0 HH TYR A 17 5.732 10.623 -10.784 1.00 0.00 H new ATOM 276 N ILE A 18 3.936 2.422 -7.666 1.00 0.00 N ATOM 277 CA ILE A 18 3.690 0.956 -7.539 1.00 0.00 C ATOM 278 C ILE A 18 3.160 0.454 -8.882 1.00 0.00 C ATOM 279 O ILE A 18 2.488 1.176 -9.593 1.00 0.00 O ATOM 280 CB ILE A 18 2.658 0.696 -6.441 1.00 0.00 C ATOM 281 CG1 ILE A 18 2.396 -0.809 -6.338 1.00 0.00 C ATOM 282 CG2 ILE A 18 1.351 1.419 -6.772 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.466 -1.080 -5.158 1.00 0.00 C ATOM 0 H ILE A 18 3.119 3.014 -7.513 1.00 0.00 H new ATOM 0 HA ILE A 18 4.611 0.436 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 18 3.042 1.069 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.947 -1.176 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.336 -1.345 -6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.621 1.229 -5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.536 2.491 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.963 1.053 -7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.277 -2.151 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.933 -0.727 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.523 -0.555 -5.310 1.00 0.00 H new ATOM 295 N GLU A 19 3.462 -0.763 -9.257 1.00 0.00 N ATOM 296 CA GLU A 19 2.973 -1.265 -10.578 1.00 0.00 C ATOM 297 C GLU A 19 2.751 -2.778 -10.540 1.00 0.00 C ATOM 298 O GLU A 19 3.576 -3.531 -10.060 1.00 0.00 O ATOM 299 CB GLU A 19 4.012 -0.940 -11.653 1.00 0.00 C ATOM 300 CG GLU A 19 3.455 -1.304 -13.032 1.00 0.00 C ATOM 301 CD GLU A 19 4.404 -0.789 -14.117 1.00 0.00 C ATOM 302 OE1 GLU A 19 5.432 -1.412 -14.320 1.00 0.00 O ATOM 303 OE2 GLU A 19 4.085 0.219 -14.724 1.00 0.00 O ATOM 0 H GLU A 19 4.018 -1.424 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 19 2.024 -0.779 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.265 0.120 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.932 -1.493 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.341 -2.385 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.465 -0.868 -13.163 1.00 0.00 H new ATOM 310 N ILE A 20 1.640 -3.223 -11.070 1.00 0.00 N ATOM 311 CA ILE A 20 1.334 -4.684 -11.107 1.00 0.00 C ATOM 312 C ILE A 20 0.563 -4.972 -12.414 1.00 0.00 C ATOM 313 O ILE A 20 -0.453 -4.356 -12.668 1.00 0.00 O ATOM 314 CB ILE A 20 0.462 -5.060 -9.891 1.00 0.00 C ATOM 315 CG1 ILE A 20 1.353 -5.159 -8.645 1.00 0.00 C ATOM 316 CG2 ILE A 20 -0.224 -6.413 -10.131 1.00 0.00 C ATOM 317 CD1 ILE A 20 0.497 -5.346 -7.391 1.00 0.00 C ATOM 0 H ILE A 20 0.923 -2.627 -11.484 1.00 0.00 H new ATOM 0 HA ILE A 20 2.252 -5.270 -11.071 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.300 -4.295 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.044 -5.996 -8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.957 -4.257 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.837 -6.669 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.855 -6.349 -11.017 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.533 -7.183 -10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.143 -5.415 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.176 -4.496 -7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.088 -6.261 -7.483 1.00 0.00 H new ATOM 329 N PRO A 21 1.021 -5.887 -13.246 1.00 0.00 N ATOM 330 CA PRO A 21 0.319 -6.205 -14.524 1.00 0.00 C ATOM 331 C PRO A 21 -0.932 -7.059 -14.287 1.00 0.00 C ATOM 332 O PRO A 21 -1.966 -6.845 -14.890 1.00 0.00 O ATOM 333 CB PRO A 21 1.372 -6.976 -15.330 1.00 0.00 C ATOM 334 CG PRO A 21 2.227 -7.644 -14.301 1.00 0.00 C ATOM 335 CD PRO A 21 2.234 -6.717 -13.078 1.00 0.00 C ATOM 0 HA PRO A 21 -0.040 -5.312 -15.036 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.907 -7.706 -15.992 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.959 -6.305 -15.957 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.829 -8.625 -14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.238 -7.799 -14.677 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.203 -7.284 -12.148 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.135 -6.104 -13.048 1.00 0.00 H new ATOM 343 N ASP A 22 -0.846 -8.020 -13.410 1.00 0.00 N ATOM 344 CA ASP A 22 -2.027 -8.883 -13.132 1.00 0.00 C ATOM 345 C ASP A 22 -3.235 -8.006 -12.790 1.00 0.00 C ATOM 346 O ASP A 22 -4.364 -8.450 -12.839 1.00 0.00 O ATOM 347 CB ASP A 22 -1.714 -9.809 -11.957 1.00 0.00 C ATOM 348 CG ASP A 22 -0.462 -10.628 -12.271 1.00 0.00 C ATOM 349 OD1 ASP A 22 -0.547 -11.506 -13.116 1.00 0.00 O ATOM 350 OD2 ASP A 22 0.563 -10.366 -11.664 1.00 0.00 O ATOM 0 H ASP A 22 -0.008 -8.245 -12.874 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.256 -9.481 -14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.560 -9.224 -11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.558 -10.473 -11.769 1.00 0.00 H new ATOM 355 N ALA A 23 -3.001 -6.763 -12.439 1.00 0.00 N ATOM 356 CA ALA A 23 -4.130 -5.840 -12.086 1.00 0.00 C ATOM 357 C ALA A 23 -3.983 -4.531 -12.863 1.00 0.00 C ATOM 358 O ALA A 23 -4.633 -3.551 -12.563 1.00 0.00 O ATOM 359 CB ALA A 23 -4.087 -5.539 -10.586 1.00 0.00 C ATOM 0 H ALA A 23 -2.072 -6.345 -12.381 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.078 -6.313 -12.342 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.906 -4.868 -10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.187 -6.468 -10.025 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.137 -5.065 -10.337 1.00 0.00 H new ATOM 365 N ASP A 24 -3.132 -4.512 -13.858 1.00 0.00 N ATOM 366 CA ASP A 24 -2.928 -3.271 -14.671 1.00 0.00 C ATOM 367 C ASP A 24 -2.876 -2.046 -13.753 1.00 0.00 C ATOM 368 O ASP A 24 -3.348 -0.980 -14.092 1.00 0.00 O ATOM 369 CB ASP A 24 -4.070 -3.120 -15.683 1.00 0.00 C ATOM 370 CG ASP A 24 -5.396 -2.909 -14.951 1.00 0.00 C ATOM 371 OD1 ASP A 24 -5.511 -1.923 -14.243 1.00 0.00 O ATOM 372 OD2 ASP A 24 -6.276 -3.739 -15.112 1.00 0.00 O ATOM 0 H ASP A 24 -2.564 -5.309 -14.145 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.983 -3.349 -15.209 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.872 -2.276 -16.343 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.130 -4.009 -16.311 1.00 0.00 H new ATOM 377 N ILE A 25 -2.297 -2.196 -12.593 1.00 0.00 N ATOM 378 CA ILE A 25 -2.197 -1.052 -11.639 1.00 0.00 C ATOM 379 C ILE A 25 -0.887 -0.301 -11.895 1.00 0.00 C ATOM 380 O ILE A 25 0.140 -0.888 -12.168 1.00 0.00 O ATOM 381 CB ILE A 25 -2.248 -1.605 -10.199 1.00 0.00 C ATOM 382 CG1 ILE A 25 -3.710 -1.834 -9.796 1.00 0.00 C ATOM 383 CG2 ILE A 25 -1.598 -0.628 -9.210 1.00 0.00 C ATOM 384 CD1 ILE A 25 -3.769 -2.676 -8.522 1.00 0.00 C ATOM 0 H ILE A 25 -1.885 -3.068 -12.262 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.025 -0.357 -11.778 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.696 -2.545 -10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.206 -0.877 -9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.244 -2.338 -10.601 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.648 -1.043 -8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.555 -0.470 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.128 0.324 -9.237 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.810 -2.836 -8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.289 -3.638 -8.699 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.251 -2.155 -7.717 1.00 0.00 H new ATOM 396 N LYS A 26 -0.933 0.997 -11.812 1.00 0.00 N ATOM 397 CA LYS A 26 0.278 1.825 -12.041 1.00 0.00 C ATOM 398 C LYS A 26 -0.037 3.224 -11.527 1.00 0.00 C ATOM 399 O LYS A 26 -0.520 4.066 -12.258 1.00 0.00 O ATOM 400 CB LYS A 26 0.603 1.872 -13.540 1.00 0.00 C ATOM 401 CG LYS A 26 -0.698 1.914 -14.347 1.00 0.00 C ATOM 402 CD LYS A 26 -0.396 2.355 -15.783 1.00 0.00 C ATOM 403 CE LYS A 26 -1.597 2.041 -16.678 1.00 0.00 C ATOM 404 NZ LYS A 26 -1.648 0.576 -16.945 1.00 0.00 N ATOM 0 H LYS A 26 -1.775 1.528 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 26 1.142 1.408 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.210 2.749 -13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.190 0.998 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.169 0.931 -14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.403 2.604 -13.884 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.180 3.423 -15.809 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.491 1.841 -16.153 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.519 2.366 -16.195 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.518 2.590 -17.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.238 0.396 -17.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.686 0.221 -17.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.056 0.087 -16.123 1.00 0.00 H new ATOM 418 N GLU A 27 0.180 3.463 -10.262 1.00 0.00 N ATOM 419 CA GLU A 27 -0.163 4.794 -9.677 1.00 0.00 C ATOM 420 C GLU A 27 0.955 5.269 -8.727 1.00 0.00 C ATOM 421 O GLU A 27 1.737 4.479 -8.237 1.00 0.00 O ATOM 422 CB GLU A 27 -1.472 4.612 -8.893 1.00 0.00 C ATOM 423 CG GLU A 27 -2.680 4.876 -9.802 1.00 0.00 C ATOM 424 CD GLU A 27 -2.864 6.383 -9.991 1.00 0.00 C ATOM 425 OE1 GLU A 27 -3.495 6.993 -9.144 1.00 0.00 O ATOM 426 OE2 GLU A 27 -2.369 6.901 -10.979 1.00 0.00 O ATOM 0 H GLU A 27 0.581 2.793 -9.606 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.273 5.543 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.525 3.600 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.492 5.294 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.532 4.394 -10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.579 4.442 -9.364 1.00 0.00 H new ATOM 433 N PRO A 28 1.022 6.563 -8.465 1.00 0.00 N ATOM 434 CA PRO A 28 2.052 7.160 -7.559 1.00 0.00 C ATOM 435 C PRO A 28 1.642 7.122 -6.078 1.00 0.00 C ATOM 436 O PRO A 28 0.489 6.933 -5.746 1.00 0.00 O ATOM 437 CB PRO A 28 2.108 8.604 -8.045 1.00 0.00 C ATOM 438 CG PRO A 28 0.695 8.912 -8.403 1.00 0.00 C ATOM 439 CD PRO A 28 0.131 7.618 -9.007 1.00 0.00 C ATOM 0 HA PRO A 28 2.998 6.621 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.479 9.273 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.771 8.712 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.125 9.215 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.642 9.734 -9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.906 7.457 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.153 7.641 -10.097 1.00 0.00 H new ATOM 447 N VAL A 29 2.588 7.317 -5.190 1.00 0.00 N ATOM 448 CA VAL A 29 2.279 7.314 -3.721 1.00 0.00 C ATOM 449 C VAL A 29 3.012 8.485 -3.048 1.00 0.00 C ATOM 450 O VAL A 29 4.225 8.507 -2.985 1.00 0.00 O ATOM 451 CB VAL A 29 2.765 5.993 -3.111 1.00 0.00 C ATOM 452 CG1 VAL A 29 2.087 5.769 -1.758 1.00 0.00 C ATOM 453 CG2 VAL A 29 2.415 4.840 -4.055 1.00 0.00 C ATOM 0 H VAL A 29 3.568 7.479 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 29 1.205 7.418 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 29 3.845 6.035 -2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.435 4.830 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.336 6.590 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.006 5.727 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.759 3.900 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.335 4.801 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.901 4.998 -5.018 1.00 0.00 H new ATOM 463 N TYR A 30 2.293 9.465 -2.541 1.00 0.00 N ATOM 464 CA TYR A 30 2.979 10.629 -1.875 1.00 0.00 C ATOM 465 C TYR A 30 3.135 10.350 -0.367 1.00 0.00 C ATOM 466 O TYR A 30 2.540 9.430 0.168 1.00 0.00 O ATOM 467 CB TYR A 30 2.166 11.942 -2.077 1.00 0.00 C ATOM 468 CG TYR A 30 0.948 11.712 -2.939 1.00 0.00 C ATOM 469 CD1 TYR A 30 -0.158 11.031 -2.420 1.00 0.00 C ATOM 470 CD2 TYR A 30 0.915 12.211 -4.246 1.00 0.00 C ATOM 471 CE1 TYR A 30 -1.300 10.846 -3.209 1.00 0.00 C ATOM 472 CE2 TYR A 30 -0.218 12.025 -5.035 1.00 0.00 C ATOM 473 CZ TYR A 30 -1.329 11.344 -4.519 1.00 0.00 C ATOM 474 OH TYR A 30 -2.449 11.163 -5.301 1.00 0.00 O ATOM 0 H TYR A 30 1.274 9.511 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 30 3.961 10.753 -2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.858 12.333 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.802 12.698 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.131 10.648 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.768 12.741 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.155 10.321 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.240 12.406 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.303 11.570 -6.180 1.00 0.00 H new ATOM 484 N PRO A 31 3.921 11.159 0.316 1.00 0.00 N ATOM 485 CA PRO A 31 4.145 11.022 1.780 1.00 0.00 C ATOM 486 C PRO A 31 3.018 11.663 2.590 1.00 0.00 C ATOM 487 O PRO A 31 2.714 12.828 2.432 1.00 0.00 O ATOM 488 CB PRO A 31 5.459 11.770 2.002 1.00 0.00 C ATOM 489 CG PRO A 31 5.435 12.863 0.986 1.00 0.00 C ATOM 490 CD PRO A 31 4.696 12.294 -0.233 1.00 0.00 C ATOM 0 HA PRO A 31 4.174 9.981 2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.524 12.169 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.319 11.115 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.925 13.745 1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.446 13.170 0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.044 13.039 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.392 11.966 -1.005 1.00 0.00 H new ATOM 498 N GLY A 32 2.397 10.919 3.460 1.00 0.00 N ATOM 499 CA GLY A 32 1.299 11.510 4.271 1.00 0.00 C ATOM 500 C GLY A 32 0.477 10.410 4.938 1.00 0.00 C ATOM 501 O GLY A 32 0.627 9.242 4.637 1.00 0.00 O ATOM 0 H GLY A 32 2.600 9.936 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.715 12.172 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.656 12.118 3.635 1.00 0.00 H new ATOM 505 N PRO A 33 -0.401 10.789 5.831 1.00 0.00 N ATOM 506 CA PRO A 33 -1.282 9.831 6.552 1.00 0.00 C ATOM 507 C PRO A 33 -2.452 9.389 5.677 1.00 0.00 C ATOM 508 O PRO A 33 -3.265 10.192 5.271 1.00 0.00 O ATOM 509 CB PRO A 33 -1.773 10.643 7.755 1.00 0.00 C ATOM 510 CG PRO A 33 -1.804 12.055 7.264 1.00 0.00 C ATOM 511 CD PRO A 33 -0.652 12.182 6.257 1.00 0.00 C ATOM 0 HA PRO A 33 -0.768 8.912 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.760 10.314 8.080 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.103 10.534 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.760 12.283 6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.680 12.757 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.926 12.815 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.232 12.626 6.714 1.00 0.00 H new ATOM 519 N ALA A 34 -2.531 8.123 5.370 1.00 0.00 N ATOM 520 CA ALA A 34 -3.648 7.631 4.504 1.00 0.00 C ATOM 521 C ALA A 34 -4.978 8.225 4.977 1.00 0.00 C ATOM 522 O ALA A 34 -5.677 7.649 5.787 1.00 0.00 O ATOM 523 CB ALA A 34 -3.717 6.100 4.564 1.00 0.00 C ATOM 0 H ALA A 34 -1.874 7.407 5.679 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.463 7.943 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.532 5.747 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.776 5.679 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.893 5.784 5.592 1.00 0.00 H new ATOM 529 N THR A 35 -5.329 9.373 4.460 1.00 0.00 N ATOM 530 CA THR A 35 -6.615 10.039 4.840 1.00 0.00 C ATOM 531 C THR A 35 -7.429 10.267 3.562 1.00 0.00 C ATOM 532 O THR A 35 -6.876 10.352 2.484 1.00 0.00 O ATOM 533 CB THR A 35 -6.298 11.392 5.504 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.126 11.937 4.916 1.00 0.00 O ATOM 535 CG2 THR A 35 -6.068 11.199 7.006 1.00 0.00 C ATOM 0 H THR A 35 -4.771 9.888 3.779 1.00 0.00 H new ATOM 0 HA THR A 35 -7.181 9.421 5.537 1.00 0.00 H new ATOM 0 HB THR A 35 -7.139 12.070 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.334 11.535 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.845 12.161 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.965 10.779 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.230 10.519 7.161 1.00 0.00 H new ATOM 543 N PRO A 36 -8.730 10.369 3.668 1.00 0.00 N ATOM 544 CA PRO A 36 -9.602 10.596 2.480 1.00 0.00 C ATOM 545 C PRO A 36 -9.213 11.884 1.745 1.00 0.00 C ATOM 546 O PRO A 36 -9.051 11.896 0.542 1.00 0.00 O ATOM 547 CB PRO A 36 -11.027 10.689 3.070 1.00 0.00 C ATOM 548 CG PRO A 36 -10.834 10.950 4.532 1.00 0.00 C ATOM 549 CD PRO A 36 -9.513 10.284 4.910 1.00 0.00 C ATOM 0 HA PRO A 36 -9.513 9.802 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.596 11.491 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.582 9.765 2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.803 12.020 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.659 10.538 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.021 10.802 5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.658 9.251 5.225 1.00 0.00 H new ATOM 557 N GLU A 37 -9.050 12.962 2.461 1.00 0.00 N ATOM 558 CA GLU A 37 -8.662 14.240 1.802 1.00 0.00 C ATOM 559 C GLU A 37 -7.285 14.076 1.158 1.00 0.00 C ATOM 560 O GLU A 37 -6.903 14.827 0.283 1.00 0.00 O ATOM 561 CB GLU A 37 -8.610 15.360 2.844 1.00 0.00 C ATOM 562 CG GLU A 37 -7.841 14.882 4.076 1.00 0.00 C ATOM 563 CD GLU A 37 -7.561 16.071 4.997 1.00 0.00 C ATOM 564 OE1 GLU A 37 -8.514 16.649 5.492 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.397 16.384 5.191 1.00 0.00 O ATOM 0 H GLU A 37 -9.169 13.013 3.473 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.396 14.494 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.127 16.241 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.621 15.655 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.418 14.125 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.904 14.414 3.774 1.00 0.00 H new ATOM 572 N GLN A 38 -6.534 13.094 1.587 1.00 0.00 N ATOM 573 CA GLN A 38 -5.179 12.871 1.008 1.00 0.00 C ATOM 574 C GLN A 38 -5.299 11.927 -0.195 1.00 0.00 C ATOM 575 O GLN A 38 -5.122 12.323 -1.325 1.00 0.00 O ATOM 576 CB GLN A 38 -4.273 12.255 2.088 1.00 0.00 C ATOM 577 CG GLN A 38 -3.017 11.639 1.459 1.00 0.00 C ATOM 578 CD GLN A 38 -2.394 12.619 0.461 1.00 0.00 C ATOM 579 OE1 GLN A 38 -1.931 13.676 0.837 1.00 0.00 O ATOM 580 NE2 GLN A 38 -2.365 12.307 -0.806 1.00 0.00 N ATOM 0 H GLN A 38 -6.804 12.435 2.317 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.745 13.814 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.986 13.021 2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.822 11.490 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.295 11.392 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.273 10.707 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.754 11.419 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.953 12.952 -1.481 1.00 0.00 H new ATOM 589 N LEU A 39 -5.606 10.684 0.037 1.00 0.00 N ATOM 590 CA LEU A 39 -5.740 9.723 -1.092 1.00 0.00 C ATOM 591 C LEU A 39 -6.704 10.282 -2.142 1.00 0.00 C ATOM 592 O LEU A 39 -6.911 9.687 -3.181 1.00 0.00 O ATOM 593 CB LEU A 39 -6.295 8.395 -0.581 1.00 0.00 C ATOM 594 CG LEU A 39 -5.452 7.869 0.595 1.00 0.00 C ATOM 595 CD1 LEU A 39 -6.277 6.879 1.419 1.00 0.00 C ATOM 596 CD2 LEU A 39 -4.205 7.156 0.063 1.00 0.00 C ATOM 0 H LEU A 39 -5.771 10.290 0.963 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.756 9.569 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.330 8.526 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.299 7.662 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.154 8.711 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.677 6.509 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.165 7.379 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.578 6.043 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.613 6.786 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.506 6.319 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.608 7.855 -0.523 1.00 0.00 H new ATOM 608 N ASN A 40 -7.302 11.414 -1.887 1.00 0.00 N ATOM 609 CA ASN A 40 -8.250 11.987 -2.880 1.00 0.00 C ATOM 610 C ASN A 40 -7.503 12.223 -4.193 1.00 0.00 C ATOM 611 O ASN A 40 -8.079 12.176 -5.262 1.00 0.00 O ATOM 612 CB ASN A 40 -8.793 13.325 -2.350 1.00 0.00 C ATOM 613 CG ASN A 40 -10.074 13.101 -1.535 1.00 0.00 C ATOM 614 OD1 ASN A 40 -10.495 11.980 -1.331 1.00 0.00 O ATOM 615 ND2 ASN A 40 -10.714 14.134 -1.057 1.00 0.00 N ATOM 0 H ASN A 40 -7.175 11.964 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.080 11.300 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.040 13.809 -1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.998 13.997 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.566 13.999 -0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.362 15.076 -1.227 1.00 0.00 H new ATOM 622 N ARG A 41 -6.225 12.467 -4.125 1.00 0.00 N ATOM 623 CA ARG A 41 -5.449 12.692 -5.378 1.00 0.00 C ATOM 624 C ARG A 41 -4.973 11.336 -5.891 1.00 0.00 C ATOM 625 O ARG A 41 -4.623 11.186 -7.045 1.00 0.00 O ATOM 626 CB ARG A 41 -4.236 13.609 -5.106 1.00 0.00 C ATOM 627 CG ARG A 41 -3.715 13.412 -3.665 1.00 0.00 C ATOM 628 CD ARG A 41 -4.385 14.413 -2.712 1.00 0.00 C ATOM 629 NE ARG A 41 -4.153 15.801 -3.201 1.00 0.00 N ATOM 630 CZ ARG A 41 -4.867 16.785 -2.728 1.00 0.00 C ATOM 631 NH1 ARG A 41 -5.778 16.554 -1.822 1.00 0.00 N ATOM 632 NH2 ARG A 41 -4.671 18.000 -3.160 1.00 0.00 N ATOM 0 H ARG A 41 -5.685 12.521 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.079 13.179 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.441 13.390 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.520 14.651 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.918 12.393 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.633 13.545 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.455 14.212 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.981 14.299 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.437 15.982 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.932 15.604 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.336 17.323 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.959 18.181 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.229 18.769 -2.790 1.00 0.00 H new ATOM 646 N GLY A 42 -4.958 10.343 -5.043 1.00 0.00 N ATOM 647 CA GLY A 42 -4.503 8.999 -5.505 1.00 0.00 C ATOM 648 C GLY A 42 -4.141 8.097 -4.320 1.00 0.00 C ATOM 649 O GLY A 42 -4.923 7.893 -3.412 1.00 0.00 O ATOM 0 H GLY A 42 -5.237 10.401 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.290 8.529 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.637 9.110 -6.158 1.00 0.00 H new ATOM 653 N VAL A 43 -2.961 7.532 -4.347 1.00 0.00 N ATOM 654 CA VAL A 43 -2.516 6.607 -3.258 1.00 0.00 C ATOM 655 C VAL A 43 -1.564 7.341 -2.303 1.00 0.00 C ATOM 656 O VAL A 43 -0.926 8.311 -2.665 1.00 0.00 O ATOM 657 CB VAL A 43 -1.767 5.418 -3.890 1.00 0.00 C ATOM 658 CG1 VAL A 43 -1.646 4.267 -2.890 1.00 0.00 C ATOM 659 CG2 VAL A 43 -2.503 4.917 -5.134 1.00 0.00 C ATOM 0 H VAL A 43 -2.276 7.674 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.387 6.258 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.772 5.763 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.114 3.436 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.096 4.605 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.641 3.939 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.958 4.077 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.507 4.595 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.569 5.722 -5.866 1.00 0.00 H new ATOM 669 N SER A 44 -1.450 6.864 -1.095 1.00 0.00 N ATOM 670 CA SER A 44 -0.528 7.495 -0.108 1.00 0.00 C ATOM 671 C SER A 44 -0.143 6.439 0.928 1.00 0.00 C ATOM 672 O SER A 44 -0.891 5.513 1.177 1.00 0.00 O ATOM 673 CB SER A 44 -1.228 8.666 0.581 1.00 0.00 C ATOM 674 OG SER A 44 -1.871 9.466 -0.403 1.00 0.00 O ATOM 0 H SER A 44 -1.962 6.054 -0.745 1.00 0.00 H new ATOM 0 HA SER A 44 0.363 7.871 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.958 8.297 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.505 9.262 1.137 1.00 0.00 H new ATOM 0 HG SER A 44 -1.307 9.516 -1.203 1.00 0.00 H new ATOM 680 N PHE A 45 1.012 6.543 1.526 1.00 0.00 N ATOM 681 CA PHE A 45 1.401 5.502 2.525 1.00 0.00 C ATOM 682 C PHE A 45 0.340 5.412 3.619 1.00 0.00 C ATOM 683 O PHE A 45 -0.546 6.239 3.713 1.00 0.00 O ATOM 684 CB PHE A 45 2.741 5.847 3.176 1.00 0.00 C ATOM 685 CG PHE A 45 3.866 5.721 2.168 1.00 0.00 C ATOM 686 CD1 PHE A 45 4.140 4.490 1.553 1.00 0.00 C ATOM 687 CD2 PHE A 45 4.638 6.841 1.851 1.00 0.00 C ATOM 688 CE1 PHE A 45 5.183 4.392 0.622 1.00 0.00 C ATOM 689 CE2 PHE A 45 5.677 6.744 0.926 1.00 0.00 C ATOM 690 CZ PHE A 45 5.952 5.518 0.308 1.00 0.00 C ATOM 0 H PHE A 45 1.693 7.287 1.372 1.00 0.00 H new ATOM 0 HA PHE A 45 1.488 4.550 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.710 6.862 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.924 5.182 4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.548 3.620 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.429 7.788 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.394 3.446 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.270 7.615 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.756 5.442 -0.409 1.00 0.00 H new ATOM 700 N ALA A 46 0.433 4.415 4.460 1.00 0.00 N ATOM 701 CA ALA A 46 -0.560 4.272 5.560 1.00 0.00 C ATOM 702 C ALA A 46 -0.166 5.196 6.711 1.00 0.00 C ATOM 703 O ALA A 46 -0.860 5.298 7.704 1.00 0.00 O ATOM 704 CB ALA A 46 -0.577 2.828 6.055 1.00 0.00 C ATOM 0 H ALA A 46 1.155 3.695 4.431 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.551 4.538 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.305 2.728 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.850 2.165 5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.412 2.559 6.425 1.00 0.00 H new ATOM 710 N GLU A 47 0.947 5.869 6.588 1.00 0.00 N ATOM 711 CA GLU A 47 1.390 6.786 7.678 1.00 0.00 C ATOM 712 C GLU A 47 2.271 7.897 7.098 1.00 0.00 C ATOM 713 O GLU A 47 2.944 7.720 6.102 1.00 0.00 O ATOM 714 CB GLU A 47 2.188 5.997 8.715 1.00 0.00 C ATOM 715 CG GLU A 47 1.258 5.053 9.484 1.00 0.00 C ATOM 716 CD GLU A 47 1.984 4.517 10.719 1.00 0.00 C ATOM 717 OE1 GLU A 47 2.355 5.321 11.559 1.00 0.00 O ATOM 718 OE2 GLU A 47 2.159 3.313 10.804 1.00 0.00 O ATOM 0 H GLU A 47 1.568 5.823 5.780 1.00 0.00 H new ATOM 0 HA GLU A 47 0.514 7.230 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.974 5.425 8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.678 6.682 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.352 5.581 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.950 4.227 8.843 1.00 0.00 H new ATOM 725 N GLU A 48 2.255 9.045 7.715 1.00 0.00 N ATOM 726 CA GLU A 48 3.068 10.195 7.220 1.00 0.00 C ATOM 727 C GLU A 48 4.571 9.881 7.267 1.00 0.00 C ATOM 728 O GLU A 48 5.316 10.255 6.383 1.00 0.00 O ATOM 729 CB GLU A 48 2.780 11.416 8.100 1.00 0.00 C ATOM 730 CG GLU A 48 3.384 11.207 9.493 1.00 0.00 C ATOM 731 CD GLU A 48 2.758 12.194 10.482 1.00 0.00 C ATOM 732 OE1 GLU A 48 2.557 13.335 10.101 1.00 0.00 O ATOM 733 OE2 GLU A 48 2.491 11.791 11.602 1.00 0.00 O ATOM 0 H GLU A 48 1.706 9.240 8.553 1.00 0.00 H new ATOM 0 HA GLU A 48 2.796 10.392 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.199 12.312 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.704 11.572 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.209 10.184 9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.464 11.350 9.457 1.00 0.00 H new ATOM 740 N ASN A 49 5.033 9.237 8.308 1.00 0.00 N ATOM 741 CA ASN A 49 6.499 8.949 8.424 1.00 0.00 C ATOM 742 C ASN A 49 6.858 7.622 7.751 1.00 0.00 C ATOM 743 O ASN A 49 7.901 7.053 8.010 1.00 0.00 O ATOM 744 CB ASN A 49 6.878 8.877 9.905 1.00 0.00 C ATOM 745 CG ASN A 49 8.400 8.827 10.043 1.00 0.00 C ATOM 746 OD1 ASN A 49 8.925 8.085 10.850 1.00 0.00 O ATOM 747 ND2 ASN A 49 9.139 9.590 9.286 1.00 0.00 N ATOM 0 H ASN A 49 4.462 8.898 9.082 1.00 0.00 H new ATOM 0 HA ASN A 49 7.048 9.748 7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.483 9.744 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.432 7.994 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.155 9.563 9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.701 10.214 8.608 1.00 0.00 H new ATOM 754 N GLU A 50 6.022 7.119 6.887 1.00 0.00 N ATOM 755 CA GLU A 50 6.353 5.832 6.211 1.00 0.00 C ATOM 756 C GLU A 50 7.616 6.003 5.368 1.00 0.00 C ATOM 757 O GLU A 50 7.814 7.005 4.710 1.00 0.00 O ATOM 758 CB GLU A 50 5.191 5.403 5.313 1.00 0.00 C ATOM 759 CG GLU A 50 5.408 3.958 4.848 1.00 0.00 C ATOM 760 CD GLU A 50 5.069 2.995 5.987 1.00 0.00 C ATOM 761 OE1 GLU A 50 3.900 2.891 6.320 1.00 0.00 O ATOM 762 OE2 GLU A 50 5.984 2.377 6.507 1.00 0.00 O ATOM 0 H GLU A 50 5.131 7.538 6.620 1.00 0.00 H new ATOM 0 HA GLU A 50 6.524 5.066 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.249 5.484 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.120 6.066 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.782 3.747 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.443 3.818 4.536 1.00 0.00 H new ATOM 769 N SER A 51 8.469 5.018 5.389 1.00 0.00 N ATOM 770 CA SER A 51 9.733 5.079 4.602 1.00 0.00 C ATOM 771 C SER A 51 10.074 3.665 4.132 1.00 0.00 C ATOM 772 O SER A 51 9.712 2.694 4.767 1.00 0.00 O ATOM 773 CB SER A 51 10.855 5.605 5.498 1.00 0.00 C ATOM 774 OG SER A 51 10.440 6.820 6.108 1.00 0.00 O ATOM 0 H SER A 51 8.342 4.160 5.926 1.00 0.00 H new ATOM 0 HA SER A 51 9.617 5.741 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.102 4.867 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.758 5.770 4.910 1.00 0.00 H new ATOM 0 HG SER A 51 11.157 7.158 6.684 1.00 0.00 H new ATOM 780 N LEU A 52 10.767 3.526 3.036 1.00 0.00 N ATOM 781 CA LEU A 52 11.110 2.161 2.570 1.00 0.00 C ATOM 782 C LEU A 52 11.944 1.497 3.665 1.00 0.00 C ATOM 783 O LEU A 52 12.282 0.332 3.591 1.00 0.00 O ATOM 784 CB LEU A 52 11.908 2.202 1.240 1.00 0.00 C ATOM 785 CG LEU A 52 11.636 3.497 0.429 1.00 0.00 C ATOM 786 CD1 LEU A 52 10.144 3.911 0.468 1.00 0.00 C ATOM 787 CD2 LEU A 52 12.542 4.639 0.943 1.00 0.00 C ATOM 0 H LEU A 52 11.105 4.290 2.452 1.00 0.00 H new ATOM 0 HA LEU A 52 10.197 1.596 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.974 2.129 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.645 1.335 0.634 1.00 0.00 H new ATOM 0 HG LEU A 52 11.875 3.293 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.004 4.822 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.534 3.113 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.843 4.089 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.346 5.545 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.332 4.824 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.588 4.355 0.826 1.00 0.00 H new ATOM 799 N ASP A 53 12.278 2.244 4.681 1.00 0.00 N ATOM 800 CA ASP A 53 13.091 1.679 5.787 1.00 0.00 C ATOM 801 C ASP A 53 12.213 0.791 6.670 1.00 0.00 C ATOM 802 O ASP A 53 12.669 -0.190 7.222 1.00 0.00 O ATOM 803 CB ASP A 53 13.675 2.816 6.628 1.00 0.00 C ATOM 804 CG ASP A 53 14.801 3.500 5.851 1.00 0.00 C ATOM 805 OD1 ASP A 53 14.738 3.503 4.633 1.00 0.00 O ATOM 806 OD2 ASP A 53 15.710 4.008 6.488 1.00 0.00 O ATOM 0 H ASP A 53 12.020 3.225 4.790 1.00 0.00 H new ATOM 0 HA ASP A 53 13.902 1.084 5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.896 3.539 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.055 2.426 7.572 1.00 0.00 H new ATOM 811 N ASP A 54 10.957 1.125 6.816 1.00 0.00 N ATOM 812 CA ASP A 54 10.070 0.290 7.671 1.00 0.00 C ATOM 813 C ASP A 54 10.024 -1.136 7.112 1.00 0.00 C ATOM 814 O ASP A 54 9.477 -1.381 6.055 1.00 0.00 O ATOM 815 CB ASP A 54 8.659 0.881 7.675 1.00 0.00 C ATOM 816 CG ASP A 54 8.715 2.331 8.163 1.00 0.00 C ATOM 817 OD1 ASP A 54 9.709 2.693 8.769 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.763 3.054 7.920 1.00 0.00 O ATOM 0 H ASP A 54 10.512 1.934 6.383 1.00 0.00 H new ATOM 0 HA ASP A 54 10.458 0.272 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.233 0.840 6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.009 0.293 8.322 1.00 0.00 H new ATOM 823 N GLN A 55 10.592 -2.082 7.816 1.00 0.00 N ATOM 824 CA GLN A 55 10.580 -3.496 7.325 1.00 0.00 C ATOM 825 C GLN A 55 9.150 -3.861 6.901 1.00 0.00 C ATOM 826 O GLN A 55 8.922 -4.846 6.225 1.00 0.00 O ATOM 827 CB GLN A 55 11.074 -4.460 8.441 1.00 0.00 C ATOM 828 CG GLN A 55 11.649 -3.660 9.615 1.00 0.00 C ATOM 829 CD GLN A 55 10.509 -2.948 10.342 1.00 0.00 C ATOM 830 OE1 GLN A 55 10.732 -2.229 11.296 1.00 0.00 O ATOM 831 NE2 GLN A 55 9.283 -3.118 9.923 1.00 0.00 N ATOM 0 H GLN A 55 11.063 -1.938 8.709 1.00 0.00 H new ATOM 0 HA GLN A 55 11.251 -3.593 6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.248 -5.083 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.834 -5.131 8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.175 -4.324 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.377 -2.933 9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.097 -3.722 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.512 -2.647 10.397 1.00 0.00 H new ATOM 840 N ASN A 56 8.190 -3.066 7.298 1.00 0.00 N ATOM 841 CA ASN A 56 6.764 -3.333 6.932 1.00 0.00 C ATOM 842 C ASN A 56 6.186 -2.089 6.261 1.00 0.00 C ATOM 843 O ASN A 56 5.942 -1.085 6.902 1.00 0.00 O ATOM 844 CB ASN A 56 5.965 -3.642 8.199 1.00 0.00 C ATOM 845 CG ASN A 56 4.487 -3.811 7.842 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.140 -3.953 6.688 1.00 0.00 O ATOM 847 ND2 ASN A 56 3.594 -3.800 8.795 1.00 0.00 N ATOM 0 H ASN A 56 8.334 -2.232 7.868 1.00 0.00 H new ATOM 0 HA ASN A 56 6.708 -4.183 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.343 -4.551 8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.085 -2.836 8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.606 -3.911 8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.885 -3.681 9.765 1.00 0.00 H new ATOM 854 N ILE A 57 5.965 -2.141 4.975 1.00 0.00 N ATOM 855 CA ILE A 57 5.403 -0.956 4.263 1.00 0.00 C ATOM 856 C ILE A 57 3.885 -1.100 4.179 1.00 0.00 C ATOM 857 O ILE A 57 3.374 -2.026 3.580 1.00 0.00 O ATOM 858 CB ILE A 57 5.983 -0.884 2.850 1.00 0.00 C ATOM 859 CG1 ILE A 57 7.486 -0.598 2.930 1.00 0.00 C ATOM 860 CG2 ILE A 57 5.294 0.240 2.071 1.00 0.00 C ATOM 861 CD1 ILE A 57 8.124 -0.835 1.561 1.00 0.00 C ATOM 0 H ILE A 57 6.149 -2.953 4.386 1.00 0.00 H new ATOM 0 HA ILE A 57 5.660 -0.046 4.806 1.00 0.00 H new ATOM 0 HB ILE A 57 5.818 -1.834 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.655 0.431 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.950 -1.243 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.708 0.291 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.224 0.040 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.459 1.190 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.193 -0.632 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.967 -1.871 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.667 -0.172 0.827 1.00 0.00 H new ATOM 873 N SER A 58 3.164 -0.191 4.783 1.00 0.00 N ATOM 874 CA SER A 58 1.670 -0.255 4.756 1.00 0.00 C ATOM 875 C SER A 58 1.132 0.861 3.854 1.00 0.00 C ATOM 876 O SER A 58 1.190 2.026 4.194 1.00 0.00 O ATOM 877 CB SER A 58 1.138 -0.080 6.181 1.00 0.00 C ATOM 878 OG SER A 58 1.241 -1.318 6.872 1.00 0.00 O ATOM 0 H SER A 58 3.549 0.600 5.299 1.00 0.00 H new ATOM 0 HA SER A 58 1.343 -1.218 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.707 0.690 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.100 0.252 6.157 1.00 0.00 H new ATOM 0 HG SER A 58 0.903 -1.212 7.786 1.00 0.00 H new ATOM 884 N ILE A 59 0.610 0.508 2.701 1.00 0.00 N ATOM 885 CA ILE A 59 0.064 1.539 1.759 1.00 0.00 C ATOM 886 C ILE A 59 -1.468 1.479 1.767 1.00 0.00 C ATOM 887 O ILE A 59 -2.060 0.498 2.173 1.00 0.00 O ATOM 888 CB ILE A 59 0.582 1.259 0.336 1.00 0.00 C ATOM 889 CG1 ILE A 59 2.053 0.840 0.406 1.00 0.00 C ATOM 890 CG2 ILE A 59 0.455 2.523 -0.525 1.00 0.00 C ATOM 891 CD1 ILE A 59 2.619 0.695 -1.012 1.00 0.00 C ATOM 0 H ILE A 59 0.539 -0.455 2.371 1.00 0.00 H new ATOM 0 HA ILE A 59 0.390 2.530 2.076 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.010 0.460 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.626 1.582 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.147 -0.104 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.823 2.317 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.591 2.824 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.043 3.326 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.666 0.397 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.054 -0.063 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.540 1.648 -1.534 1.00 0.00 H new ATOM 903 N ALA A 60 -2.106 2.527 1.314 1.00 0.00 N ATOM 904 CA ALA A 60 -3.601 2.566 1.273 1.00 0.00 C ATOM 905 C ALA A 60 -4.027 3.070 -0.112 1.00 0.00 C ATOM 906 O ALA A 60 -3.432 3.987 -0.647 1.00 0.00 O ATOM 907 CB ALA A 60 -4.106 3.512 2.371 1.00 0.00 C ATOM 0 H ALA A 60 -1.649 3.370 0.966 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.024 1.576 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.195 3.547 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.774 3.150 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.708 4.512 2.201 1.00 0.00 H new ATOM 913 N GLY A 61 -5.029 2.469 -0.715 1.00 0.00 N ATOM 914 CA GLY A 61 -5.447 2.916 -2.085 1.00 0.00 C ATOM 915 C GLY A 61 -6.965 2.805 -2.288 1.00 0.00 C ATOM 916 O GLY A 61 -7.621 1.934 -1.750 1.00 0.00 O ATOM 0 H GLY A 61 -5.569 1.698 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.135 3.949 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.936 2.312 -2.835 1.00 0.00 H new ATOM 920 N HIS A 62 -7.513 3.696 -3.080 1.00 0.00 N ATOM 921 CA HIS A 62 -8.989 3.686 -3.366 1.00 0.00 C ATOM 922 C HIS A 62 -9.334 2.555 -4.358 1.00 0.00 C ATOM 923 O HIS A 62 -8.541 1.674 -4.623 1.00 0.00 O ATOM 924 CB HIS A 62 -9.392 5.050 -3.980 1.00 0.00 C ATOM 925 CG HIS A 62 -9.808 6.021 -2.906 1.00 0.00 C ATOM 926 ND1 HIS A 62 -11.042 5.942 -2.281 1.00 0.00 N ATOM 927 CD2 HIS A 62 -9.181 7.111 -2.358 1.00 0.00 C ATOM 928 CE1 HIS A 62 -11.118 6.956 -1.401 1.00 0.00 C ATOM 929 NE2 HIS A 62 -10.009 7.701 -1.407 1.00 0.00 N ATOM 0 H HIS A 62 -6.996 4.440 -3.548 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.534 3.517 -2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.554 5.461 -4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.211 4.908 -4.685 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.194 7.459 -2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.971 7.145 -0.767 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.812 8.524 -0.838 1.00 0.00 H new ATOM 937 N THR A 63 -10.519 2.607 -4.922 1.00 0.00 N ATOM 938 CA THR A 63 -10.948 1.586 -5.917 1.00 0.00 C ATOM 939 C THR A 63 -12.104 2.158 -6.745 1.00 0.00 C ATOM 940 O THR A 63 -13.259 1.998 -6.405 1.00 0.00 O ATOM 941 CB THR A 63 -11.422 0.314 -5.213 1.00 0.00 C ATOM 942 OG1 THR A 63 -12.286 -0.408 -6.081 1.00 0.00 O ATOM 943 CG2 THR A 63 -12.173 0.675 -3.934 1.00 0.00 C ATOM 0 H THR A 63 -11.214 3.328 -4.728 1.00 0.00 H new ATOM 0 HA THR A 63 -10.102 1.338 -6.558 1.00 0.00 H new ATOM 0 HB THR A 63 -10.558 -0.299 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.108 0.105 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.507 -0.237 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.511 1.228 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.037 1.291 -4.181 1.00 0.00 H new ATOM 951 N PHE A 64 -11.806 2.831 -7.826 1.00 0.00 N ATOM 952 CA PHE A 64 -12.894 3.421 -8.668 1.00 0.00 C ATOM 953 C PHE A 64 -13.352 2.379 -9.699 1.00 0.00 C ATOM 954 O PHE A 64 -12.647 2.066 -10.633 1.00 0.00 O ATOM 955 CB PHE A 64 -12.358 4.676 -9.389 1.00 0.00 C ATOM 956 CG PHE A 64 -12.567 5.906 -8.526 1.00 0.00 C ATOM 957 CD1 PHE A 64 -12.324 5.850 -7.148 1.00 0.00 C ATOM 958 CD2 PHE A 64 -13.007 7.102 -9.110 1.00 0.00 C ATOM 959 CE1 PHE A 64 -12.518 6.988 -6.355 1.00 0.00 C ATOM 960 CE2 PHE A 64 -13.201 8.239 -8.317 1.00 0.00 C ATOM 961 CZ PHE A 64 -12.957 8.182 -6.940 1.00 0.00 C ATOM 0 H PHE A 64 -10.858 2.998 -8.163 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.739 3.704 -8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.297 4.553 -9.609 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.869 4.802 -10.344 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.987 4.929 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -13.196 7.146 -10.172 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -12.329 6.945 -5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -13.539 9.160 -8.768 1.00 0.00 H new ATOM 0 HZ PHE A 64 -13.107 9.059 -6.328 1.00 0.00 H new ATOM 971 N ILE A 65 -14.531 1.848 -9.528 1.00 0.00 N ATOM 972 CA ILE A 65 -15.043 0.824 -10.487 1.00 0.00 C ATOM 973 C ILE A 65 -15.060 1.399 -11.899 1.00 0.00 C ATOM 974 O ILE A 65 -14.971 0.680 -12.875 1.00 0.00 O ATOM 975 CB ILE A 65 -16.475 0.437 -10.118 1.00 0.00 C ATOM 976 CG1 ILE A 65 -16.582 0.175 -8.620 1.00 0.00 C ATOM 977 CG2 ILE A 65 -16.872 -0.827 -10.881 1.00 0.00 C ATOM 978 CD1 ILE A 65 -18.017 -0.230 -8.296 1.00 0.00 C ATOM 0 H ILE A 65 -15.165 2.079 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.391 -0.048 -10.441 1.00 0.00 H new ATOM 0 HB ILE A 65 -17.142 1.257 -10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.891 -0.614 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -16.306 1.068 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -17.893 -1.105 -10.619 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -16.811 -0.639 -11.953 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -16.196 -1.640 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -18.109 -0.421 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -18.695 0.575 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -18.274 -1.133 -8.849 1.00 0.00 H new ATOM 990 N ASP A 66 -15.199 2.685 -12.019 1.00 0.00 N ATOM 991 CA ASP A 66 -15.251 3.303 -13.366 1.00 0.00 C ATOM 992 C ASP A 66 -13.832 3.497 -13.877 1.00 0.00 C ATOM 993 O ASP A 66 -13.593 4.170 -14.859 1.00 0.00 O ATOM 994 CB ASP A 66 -15.961 4.653 -13.277 1.00 0.00 C ATOM 995 CG ASP A 66 -16.330 5.132 -14.682 1.00 0.00 C ATOM 996 OD1 ASP A 66 -16.665 4.294 -15.503 1.00 0.00 O ATOM 997 OD2 ASP A 66 -16.271 6.328 -14.914 1.00 0.00 O ATOM 0 H ASP A 66 -15.279 3.337 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.799 2.657 -14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.858 4.564 -12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.315 5.384 -12.791 1.00 0.00 H new ATOM 1002 N ARG A 67 -12.891 2.898 -13.212 1.00 0.00 N ATOM 1003 CA ARG A 67 -11.469 3.021 -13.639 1.00 0.00 C ATOM 1004 C ARG A 67 -10.707 1.759 -13.228 1.00 0.00 C ATOM 1005 O ARG A 67 -9.944 1.775 -12.286 1.00 0.00 O ATOM 1006 CB ARG A 67 -10.834 4.241 -12.968 1.00 0.00 C ATOM 1007 CG ARG A 67 -11.487 5.521 -13.498 1.00 0.00 C ATOM 1008 CD ARG A 67 -10.616 6.725 -13.138 1.00 0.00 C ATOM 1009 NE ARG A 67 -11.337 7.982 -13.484 1.00 0.00 N ATOM 1010 CZ ARG A 67 -10.927 9.122 -12.999 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -9.893 9.159 -12.205 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -11.553 10.225 -13.306 1.00 0.00 N ATOM 0 H ARG A 67 -13.044 2.323 -12.384 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.424 3.141 -14.721 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.958 4.179 -11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.762 4.260 -13.165 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.610 5.458 -14.579 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.483 5.638 -13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.379 6.710 -12.074 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.669 6.676 -13.676 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.150 7.952 -14.099 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.405 8.297 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.573 10.050 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.363 10.196 -13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.232 11.116 -12.927 1.00 0.00 H new ATOM 1026 N PRO A 68 -10.923 0.675 -13.936 1.00 0.00 N ATOM 1027 CA PRO A 68 -10.261 -0.646 -13.659 1.00 0.00 C ATOM 1028 C PRO A 68 -8.736 -0.553 -13.472 1.00 0.00 C ATOM 1029 O PRO A 68 -8.056 -1.555 -13.370 1.00 0.00 O ATOM 1030 CB PRO A 68 -10.605 -1.479 -14.901 1.00 0.00 C ATOM 1031 CG PRO A 68 -11.899 -0.914 -15.384 1.00 0.00 C ATOM 1032 CD PRO A 68 -11.835 0.586 -15.091 1.00 0.00 C ATOM 0 HA PRO A 68 -10.612 -1.073 -12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.828 -1.397 -15.661 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.701 -2.537 -14.655 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.033 -1.099 -16.450 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.743 -1.377 -14.872 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.455 1.146 -15.946 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.819 0.991 -14.857 1.00 0.00 H new ATOM 1040 N ASN A 69 -8.198 0.634 -13.415 1.00 0.00 N ATOM 1041 CA ASN A 69 -6.727 0.797 -13.223 1.00 0.00 C ATOM 1042 C ASN A 69 -6.499 1.999 -12.310 1.00 0.00 C ATOM 1043 O ASN A 69 -5.856 2.961 -12.682 1.00 0.00 O ATOM 1044 CB ASN A 69 -6.066 1.053 -14.578 1.00 0.00 C ATOM 1045 CG ASN A 69 -6.700 2.286 -15.226 1.00 0.00 C ATOM 1046 OD1 ASN A 69 -7.477 2.982 -14.603 1.00 0.00 O ATOM 1047 ND2 ASN A 69 -6.401 2.587 -16.459 1.00 0.00 N ATOM 0 H ASN A 69 -8.719 1.507 -13.494 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.298 -0.102 -12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.994 1.206 -14.450 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.189 0.184 -15.225 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.819 3.406 -16.900 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.749 2.003 -16.983 1.00 0.00 H new ATOM 1054 N TYR A 70 -7.043 1.960 -11.118 1.00 0.00 N ATOM 1055 CA TYR A 70 -6.884 3.110 -10.177 1.00 0.00 C ATOM 1056 C TYR A 70 -6.693 2.604 -8.743 1.00 0.00 C ATOM 1057 O TYR A 70 -7.641 2.277 -8.057 1.00 0.00 O ATOM 1058 CB TYR A 70 -8.142 3.982 -10.238 1.00 0.00 C ATOM 1059 CG TYR A 70 -7.948 5.223 -9.395 1.00 0.00 C ATOM 1060 CD1 TYR A 70 -7.005 6.185 -9.778 1.00 0.00 C ATOM 1061 CD2 TYR A 70 -8.712 5.416 -8.235 1.00 0.00 C ATOM 1062 CE1 TYR A 70 -6.825 7.337 -9.003 1.00 0.00 C ATOM 1063 CE2 TYR A 70 -8.530 6.568 -7.459 1.00 0.00 C ATOM 1064 CZ TYR A 70 -7.587 7.528 -7.844 1.00 0.00 C ATOM 1065 OH TYR A 70 -7.411 8.665 -7.083 1.00 0.00 O ATOM 0 H TYR A 70 -7.591 1.179 -10.757 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.007 3.689 -10.468 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -8.352 4.262 -11.270 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.004 3.419 -9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -6.416 6.038 -10.672 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.441 4.676 -7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.098 8.079 -9.299 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.117 6.715 -6.564 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.451 8.432 -6.132 1.00 0.00 H new ATOM 1075 N GLN A 71 -5.473 2.576 -8.279 1.00 0.00 N ATOM 1076 CA GLN A 71 -5.202 2.137 -6.877 1.00 0.00 C ATOM 1077 C GLN A 71 -5.665 0.684 -6.647 1.00 0.00 C ATOM 1078 O GLN A 71 -5.233 -0.222 -7.332 1.00 0.00 O ATOM 1079 CB GLN A 71 -5.918 3.102 -5.924 1.00 0.00 C ATOM 1080 CG GLN A 71 -5.741 4.540 -6.440 1.00 0.00 C ATOM 1081 CD GLN A 71 -6.047 5.547 -5.327 1.00 0.00 C ATOM 1082 OE1 GLN A 71 -6.731 6.525 -5.553 1.00 0.00 O ATOM 1083 NE2 GLN A 71 -5.564 5.355 -4.132 1.00 0.00 N ATOM 0 H GLN A 71 -4.646 2.840 -8.814 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.129 2.159 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.977 2.852 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.509 3.010 -4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.721 4.682 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.403 4.713 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.989 4.534 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.761 6.025 -3.389 1.00 0.00 H new ATOM 1092 N PHE A 72 -6.516 0.445 -5.673 1.00 0.00 N ATOM 1093 CA PHE A 72 -6.973 -0.960 -5.387 1.00 0.00 C ATOM 1094 C PHE A 72 -8.269 -1.248 -6.182 1.00 0.00 C ATOM 1095 O PHE A 72 -9.139 -1.980 -5.772 1.00 0.00 O ATOM 1096 CB PHE A 72 -7.138 -1.117 -3.831 1.00 0.00 C ATOM 1097 CG PHE A 72 -8.427 -1.823 -3.417 1.00 0.00 C ATOM 1098 CD1 PHE A 72 -8.592 -3.198 -3.638 1.00 0.00 C ATOM 1099 CD2 PHE A 72 -9.462 -1.094 -2.818 1.00 0.00 C ATOM 1100 CE1 PHE A 72 -9.783 -3.836 -3.272 1.00 0.00 C ATOM 1101 CE2 PHE A 72 -10.654 -1.735 -2.450 1.00 0.00 C ATOM 1102 CZ PHE A 72 -10.814 -3.104 -2.680 1.00 0.00 C ATOM 0 H PHE A 72 -6.914 1.160 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.243 -1.700 -5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.287 -1.674 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.111 -0.129 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.796 -3.768 -4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.342 -0.036 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.904 -4.895 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.450 -1.169 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 72 -11.734 -3.595 -2.400 1.00 0.00 H new ATOM 1112 N THR A 73 -8.392 -0.705 -7.359 1.00 0.00 N ATOM 1113 CA THR A 73 -9.614 -1.001 -8.156 1.00 0.00 C ATOM 1114 C THR A 73 -9.521 -2.436 -8.692 1.00 0.00 C ATOM 1115 O THR A 73 -10.520 -3.070 -8.963 1.00 0.00 O ATOM 1116 CB THR A 73 -9.732 -0.040 -9.344 1.00 0.00 C ATOM 1117 OG1 THR A 73 -9.749 1.300 -8.875 1.00 0.00 O ATOM 1118 CG2 THR A 73 -11.029 -0.337 -10.110 1.00 0.00 C ATOM 0 H THR A 73 -7.715 -0.081 -7.798 1.00 0.00 H new ATOM 0 HA THR A 73 -10.488 -0.882 -7.516 1.00 0.00 H new ATOM 0 HB THR A 73 -8.878 -0.175 -10.008 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.870 1.529 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.116 0.345 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.010 -1.365 -10.473 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.883 -0.202 -9.446 1.00 0.00 H new ATOM 1126 N ASN A 74 -8.320 -2.944 -8.871 1.00 0.00 N ATOM 1127 CA ASN A 74 -8.149 -4.333 -9.419 1.00 0.00 C ATOM 1128 C ASN A 74 -7.125 -5.120 -8.595 1.00 0.00 C ATOM 1129 O ASN A 74 -6.905 -6.290 -8.833 1.00 0.00 O ATOM 1130 CB ASN A 74 -7.653 -4.241 -10.864 1.00 0.00 C ATOM 1131 CG ASN A 74 -8.792 -3.783 -11.774 1.00 0.00 C ATOM 1132 OD1 ASN A 74 -9.816 -3.327 -11.305 1.00 0.00 O ATOM 1133 ND2 ASN A 74 -8.655 -3.887 -13.067 1.00 0.00 N ATOM 0 H ASN A 74 -7.450 -2.456 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.109 -4.847 -9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.820 -3.541 -10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.280 -5.211 -11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.408 -3.585 -13.686 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.795 -4.270 -13.460 1.00 0.00 H new ATOM 1140 N LEU A 75 -6.493 -4.505 -7.634 1.00 0.00 N ATOM 1141 CA LEU A 75 -5.493 -5.259 -6.825 1.00 0.00 C ATOM 1142 C LEU A 75 -6.154 -6.535 -6.287 1.00 0.00 C ATOM 1143 O LEU A 75 -5.495 -7.512 -5.991 1.00 0.00 O ATOM 1144 CB LEU A 75 -5.008 -4.385 -5.659 1.00 0.00 C ATOM 1145 CG LEU A 75 -3.835 -5.065 -4.923 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -2.513 -4.783 -5.645 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -3.751 -4.523 -3.491 1.00 0.00 C ATOM 0 H LEU A 75 -6.622 -3.527 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.636 -5.524 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.694 -3.411 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.828 -4.209 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.008 -6.141 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.696 -5.270 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.564 -5.170 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.337 -3.708 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.923 -5.002 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.588 -3.446 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.682 -4.736 -2.966 1.00 0.00 H new ATOM 1159 N LYS A 76 -7.460 -6.545 -6.179 1.00 0.00 N ATOM 1160 CA LYS A 76 -8.152 -7.772 -5.679 1.00 0.00 C ATOM 1161 C LYS A 76 -8.328 -8.736 -6.849 1.00 0.00 C ATOM 1162 O LYS A 76 -8.826 -9.834 -6.701 1.00 0.00 O ATOM 1163 CB LYS A 76 -9.522 -7.420 -5.068 1.00 0.00 C ATOM 1164 CG LYS A 76 -10.215 -6.304 -5.866 1.00 0.00 C ATOM 1165 CD LYS A 76 -10.441 -6.749 -7.318 1.00 0.00 C ATOM 1166 CE LYS A 76 -11.572 -5.928 -7.945 1.00 0.00 C ATOM 1167 NZ LYS A 76 -11.596 -6.160 -9.418 1.00 0.00 N ATOM 0 H LYS A 76 -8.072 -5.763 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.551 -8.236 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.155 -8.307 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.391 -7.104 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.169 -6.055 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.605 -5.401 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.524 -6.621 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.690 -7.810 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.528 -6.211 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.426 -4.868 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.001 -5.328 -9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.627 -6.317 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.178 -6.996 -9.628 1.00 0.00 H new ATOM 1181 N ALA A 77 -7.910 -8.326 -8.014 1.00 0.00 N ATOM 1182 CA ALA A 77 -8.028 -9.196 -9.214 1.00 0.00 C ATOM 1183 C ALA A 77 -6.740 -10.006 -9.351 1.00 0.00 C ATOM 1184 O ALA A 77 -6.746 -11.141 -9.787 1.00 0.00 O ATOM 1185 CB ALA A 77 -8.223 -8.314 -10.448 1.00 0.00 C ATOM 0 H ALA A 77 -7.487 -7.414 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.878 -9.871 -9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.311 -8.942 -11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.131 -7.722 -10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.367 -7.648 -10.558 1.00 0.00 H new ATOM 1191 N ALA A 78 -5.636 -9.426 -8.971 1.00 0.00 N ATOM 1192 CA ALA A 78 -4.340 -10.151 -9.063 1.00 0.00 C ATOM 1193 C ALA A 78 -4.412 -11.419 -8.210 1.00 0.00 C ATOM 1194 O ALA A 78 -5.414 -11.699 -7.581 1.00 0.00 O ATOM 1195 CB ALA A 78 -3.215 -9.252 -8.548 1.00 0.00 C ATOM 0 H ALA A 78 -5.576 -8.478 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.142 -10.418 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.265 -9.783 -8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.168 -8.346 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.409 -8.986 -7.509 1.00 0.00 H new ATOM 1201 N LYS A 79 -3.357 -12.190 -8.179 1.00 0.00 N ATOM 1202 CA LYS A 79 -3.361 -13.443 -7.365 1.00 0.00 C ATOM 1203 C LYS A 79 -1.942 -13.721 -6.864 1.00 0.00 C ATOM 1204 O LYS A 79 -0.996 -13.080 -7.275 1.00 0.00 O ATOM 1205 CB LYS A 79 -3.831 -14.615 -8.231 1.00 0.00 C ATOM 1206 CG LYS A 79 -5.270 -14.362 -8.698 1.00 0.00 C ATOM 1207 CD LYS A 79 -5.846 -15.628 -9.354 1.00 0.00 C ATOM 1208 CE LYS A 79 -5.314 -15.771 -10.786 1.00 0.00 C ATOM 1209 NZ LYS A 79 -5.624 -14.538 -11.563 1.00 0.00 N ATOM 0 H LYS A 79 -2.490 -12.006 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.036 -13.325 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.173 -14.731 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.780 -15.544 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.889 -14.069 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.290 -13.535 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.574 -16.506 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.935 -15.577 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.237 -15.940 -10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.766 -16.639 -11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.881 -14.797 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.419 -14.037 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.789 -13.918 -11.578 1.00 0.00 H new ATOM 1223 N LYS A 80 -1.783 -14.674 -5.983 1.00 0.00 N ATOM 1224 CA LYS A 80 -0.419 -14.985 -5.466 1.00 0.00 C ATOM 1225 C LYS A 80 0.543 -15.131 -6.650 1.00 0.00 C ATOM 1226 O LYS A 80 0.158 -15.535 -7.730 1.00 0.00 O ATOM 1227 CB LYS A 80 -0.460 -16.292 -4.655 1.00 0.00 C ATOM 1228 CG LYS A 80 -0.935 -15.998 -3.226 1.00 0.00 C ATOM 1229 CD LYS A 80 -1.261 -17.306 -2.496 1.00 0.00 C ATOM 1230 CE LYS A 80 -0.089 -18.284 -2.620 1.00 0.00 C ATOM 1231 NZ LYS A 80 -0.217 -19.345 -1.581 1.00 0.00 N ATOM 0 H LYS A 80 -2.535 -15.247 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.076 -14.179 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.131 -17.007 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.529 -16.749 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.163 -15.453 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.817 -15.358 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.466 -17.103 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.163 -17.751 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.079 -18.732 -3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.856 -17.754 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.578 -20.010 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.207 -18.909 -0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.112 -19.857 -1.716 1.00 0.00 H new ATOM 1245 N GLY A 81 1.790 -14.794 -6.458 1.00 0.00 N ATOM 1246 CA GLY A 81 2.777 -14.899 -7.574 1.00 0.00 C ATOM 1247 C GLY A 81 2.806 -13.575 -8.339 1.00 0.00 C ATOM 1248 O GLY A 81 3.778 -13.238 -8.985 1.00 0.00 O ATOM 0 H GLY A 81 2.169 -14.450 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.767 -15.128 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.503 -15.715 -8.243 1.00 0.00 H new ATOM 1252 N SER A 82 1.749 -12.812 -8.255 1.00 0.00 N ATOM 1253 CA SER A 82 1.714 -11.503 -8.956 1.00 0.00 C ATOM 1254 C SER A 82 2.814 -10.629 -8.373 1.00 0.00 C ATOM 1255 O SER A 82 2.693 -10.109 -7.281 1.00 0.00 O ATOM 1256 CB SER A 82 0.354 -10.836 -8.741 1.00 0.00 C ATOM 1257 OG SER A 82 0.338 -9.579 -9.403 1.00 0.00 O ATOM 0 H SER A 82 0.907 -13.043 -7.728 1.00 0.00 H new ATOM 0 HA SER A 82 1.867 -11.642 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.442 -11.473 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.166 -10.701 -7.676 1.00 0.00 H new ATOM 0 HG SER A 82 0.660 -9.689 -10.322 1.00 0.00 H new ATOM 1263 N MET A 83 3.898 -10.482 -9.070 1.00 0.00 N ATOM 1264 CA MET A 83 5.007 -9.665 -8.526 1.00 0.00 C ATOM 1265 C MET A 83 4.548 -8.222 -8.325 1.00 0.00 C ATOM 1266 O MET A 83 3.474 -7.837 -8.738 1.00 0.00 O ATOM 1267 CB MET A 83 6.196 -9.701 -9.489 1.00 0.00 C ATOM 1268 CG MET A 83 6.891 -11.060 -9.394 1.00 0.00 C ATOM 1269 SD MET A 83 7.832 -11.149 -7.852 1.00 0.00 S ATOM 1270 CE MET A 83 9.384 -10.478 -8.496 1.00 0.00 C ATOM 0 H MET A 83 4.064 -10.891 -9.990 1.00 0.00 H new ATOM 0 HA MET A 83 5.310 -10.076 -7.563 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.856 -9.526 -10.510 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.899 -8.904 -9.246 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.153 -11.861 -9.429 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.555 -11.201 -10.247 1.00 0.00 H new ATOM 0 HE1 MET A 83 10.124 -10.442 -7.697 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.750 -11.116 -9.301 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.214 -9.472 -8.879 1.00 0.00 H new ATOM 1280 N VAL A 84 5.363 -7.422 -7.687 1.00 0.00 N ATOM 1281 CA VAL A 84 4.993 -5.995 -7.442 1.00 0.00 C ATOM 1282 C VAL A 84 6.234 -5.122 -7.612 1.00 0.00 C ATOM 1283 O VAL A 84 7.157 -5.176 -6.824 1.00 0.00 O ATOM 1284 CB VAL A 84 4.456 -5.846 -6.018 1.00 0.00 C ATOM 1285 CG1 VAL A 84 3.933 -4.422 -5.813 1.00 0.00 C ATOM 1286 CG2 VAL A 84 3.318 -6.846 -5.795 1.00 0.00 C ATOM 0 H VAL A 84 6.275 -7.698 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 84 4.226 -5.686 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 84 5.258 -6.042 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.551 -4.317 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.744 -3.710 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.132 -4.223 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.935 -6.741 -4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.517 -6.650 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.691 -7.860 -5.938 1.00 0.00 H new ATOM 1296 N TYR A 85 6.268 -4.322 -8.645 1.00 0.00 N ATOM 1297 CA TYR A 85 7.454 -3.448 -8.876 1.00 0.00 C ATOM 1298 C TYR A 85 7.250 -2.100 -8.181 1.00 0.00 C ATOM 1299 O TYR A 85 6.546 -1.238 -8.668 1.00 0.00 O ATOM 1300 CB TYR A 85 7.627 -3.228 -10.383 1.00 0.00 C ATOM 1301 CG TYR A 85 7.354 -4.523 -11.116 1.00 0.00 C ATOM 1302 CD1 TYR A 85 8.075 -5.678 -10.782 1.00 0.00 C ATOM 1303 CD2 TYR A 85 6.386 -4.572 -12.129 1.00 0.00 C ATOM 1304 CE1 TYR A 85 7.827 -6.878 -11.459 1.00 0.00 C ATOM 1305 CE2 TYR A 85 6.139 -5.773 -12.804 1.00 0.00 C ATOM 1306 CZ TYR A 85 6.860 -6.926 -12.470 1.00 0.00 C ATOM 1307 OH TYR A 85 6.617 -8.108 -13.137 1.00 0.00 O ATOM 0 H TYR A 85 5.525 -4.237 -9.339 1.00 0.00 H new ATOM 0 HA TYR A 85 8.344 -3.926 -8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.945 -2.451 -10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.638 -2.883 -10.597 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.822 -5.642 -10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.831 -3.683 -12.389 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.382 -7.768 -11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.392 -5.810 -13.583 1.00 0.00 H new ATOM 0 HH TYR A 85 5.916 -7.967 -13.807 1.00 0.00 H new ATOM 1317 N PHE A 86 7.879 -1.906 -7.052 1.00 0.00 N ATOM 1318 CA PHE A 86 7.750 -0.610 -6.323 1.00 0.00 C ATOM 1319 C PHE A 86 8.934 0.273 -6.720 1.00 0.00 C ATOM 1320 O PHE A 86 10.072 -0.040 -6.434 1.00 0.00 O ATOM 1321 CB PHE A 86 7.771 -0.875 -4.814 1.00 0.00 C ATOM 1322 CG PHE A 86 7.589 0.421 -4.050 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.407 1.164 -4.193 1.00 0.00 C ATOM 1324 CD2 PHE A 86 8.597 0.879 -3.190 1.00 0.00 C ATOM 1325 CE1 PHE A 86 6.240 2.359 -3.482 1.00 0.00 C ATOM 1326 CE2 PHE A 86 8.428 2.071 -2.480 1.00 0.00 C ATOM 1327 CZ PHE A 86 7.250 2.811 -2.626 1.00 0.00 C ATOM 0 H PHE A 86 8.481 -2.595 -6.600 1.00 0.00 H new ATOM 0 HA PHE A 86 6.814 -0.113 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.979 -1.575 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.715 -1.341 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.626 0.814 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.507 0.309 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.331 2.932 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.207 2.421 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.120 3.732 -2.077 1.00 0.00 H new ATOM 1337 N LYS A 87 8.684 1.358 -7.404 1.00 0.00 N ATOM 1338 CA LYS A 87 9.808 2.233 -7.846 1.00 0.00 C ATOM 1339 C LYS A 87 10.181 3.225 -6.745 1.00 0.00 C ATOM 1340 O LYS A 87 9.339 3.736 -6.035 1.00 0.00 O ATOM 1341 CB LYS A 87 9.391 3.007 -9.099 1.00 0.00 C ATOM 1342 CG LYS A 87 8.909 2.026 -10.173 1.00 0.00 C ATOM 1343 CD LYS A 87 8.847 2.742 -11.525 1.00 0.00 C ATOM 1344 CE LYS A 87 8.348 1.772 -12.599 1.00 0.00 C ATOM 1345 NZ LYS A 87 8.284 2.475 -13.912 1.00 0.00 N ATOM 0 H LYS A 87 7.753 1.675 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 87 10.672 1.605 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.598 3.713 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.232 3.590 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.585 1.173 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.926 1.636 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.182 3.603 -11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.834 3.120 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.015 0.913 -12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.363 1.390 -12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.945 1.817 -14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.631 3.281 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.232 2.818 -14.168 1.00 0.00 H new ATOM 1359 N VAL A 88 11.451 3.502 -6.616 1.00 0.00 N ATOM 1360 CA VAL A 88 11.928 4.462 -5.580 1.00 0.00 C ATOM 1361 C VAL A 88 13.170 5.180 -6.108 1.00 0.00 C ATOM 1362 O VAL A 88 14.288 4.789 -5.835 1.00 0.00 O ATOM 1363 CB VAL A 88 12.292 3.699 -4.302 1.00 0.00 C ATOM 1364 CG1 VAL A 88 12.569 4.691 -3.166 1.00 0.00 C ATOM 1365 CG2 VAL A 88 11.134 2.779 -3.908 1.00 0.00 C ATOM 0 H VAL A 88 12.188 3.097 -7.193 1.00 0.00 H new ATOM 0 HA VAL A 88 11.143 5.185 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 88 13.186 3.102 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.827 4.143 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.398 5.342 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.679 5.294 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.393 2.236 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.239 3.376 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.944 2.069 -4.713 1.00 0.00 H new ATOM 1375 N GLY A 89 12.989 6.226 -6.866 1.00 0.00 N ATOM 1376 CA GLY A 89 14.165 6.961 -7.411 1.00 0.00 C ATOM 1377 C GLY A 89 14.897 6.075 -8.420 1.00 0.00 C ATOM 1378 O GLY A 89 14.305 5.546 -9.339 1.00 0.00 O ATOM 0 H GLY A 89 12.079 6.603 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.840 7.884 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.839 7.242 -6.602 1.00 0.00 H new ATOM 1382 N ASN A 90 16.185 5.909 -8.259 1.00 0.00 N ATOM 1383 CA ASN A 90 16.963 5.057 -9.211 1.00 0.00 C ATOM 1384 C ASN A 90 17.090 3.640 -8.646 1.00 0.00 C ATOM 1385 O ASN A 90 18.110 2.995 -8.792 1.00 0.00 O ATOM 1386 CB ASN A 90 18.361 5.651 -9.397 1.00 0.00 C ATOM 1387 CG ASN A 90 18.248 7.030 -10.051 1.00 0.00 C ATOM 1388 OD1 ASN A 90 18.139 8.030 -9.369 1.00 0.00 O ATOM 1389 ND2 ASN A 90 18.270 7.126 -11.352 1.00 0.00 N ATOM 0 H ASN A 90 16.733 6.327 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 90 16.446 5.022 -10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 90 18.863 5.734 -8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 90 18.968 4.992 -10.017 1.00 0.00 H new ATOM 0 HD21 ASN A 90 18.196 8.041 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 90 18.362 6.286 -11.924 1.00 0.00 H new ATOM 1396 N GLU A 91 16.065 3.149 -8.004 1.00 0.00 N ATOM 1397 CA GLU A 91 16.136 1.773 -7.434 1.00 0.00 C ATOM 1398 C GLU A 91 14.719 1.288 -7.120 1.00 0.00 C ATOM 1399 O GLU A 91 14.042 1.836 -6.273 1.00 0.00 O ATOM 1400 CB GLU A 91 16.975 1.800 -6.150 1.00 0.00 C ATOM 1401 CG GLU A 91 17.426 0.382 -5.790 1.00 0.00 C ATOM 1402 CD GLU A 91 16.211 -0.455 -5.389 1.00 0.00 C ATOM 1403 OE1 GLU A 91 15.731 -0.274 -4.283 1.00 0.00 O ATOM 1404 OE2 GLU A 91 15.780 -1.263 -6.196 1.00 0.00 O ATOM 0 H GLU A 91 15.184 3.639 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 91 16.600 1.096 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.844 2.443 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.391 2.223 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.932 -0.076 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.144 0.415 -4.971 1.00 0.00 H new ATOM 1411 N THR A 92 14.262 0.266 -7.806 1.00 0.00 N ATOM 1412 CA THR A 92 12.879 -0.261 -7.563 1.00 0.00 C ATOM 1413 C THR A 92 12.949 -1.600 -6.831 1.00 0.00 C ATOM 1414 O THR A 92 13.863 -2.379 -7.018 1.00 0.00 O ATOM 1415 CB THR A 92 12.170 -0.454 -8.905 1.00 0.00 C ATOM 1416 OG1 THR A 92 10.830 -0.867 -8.674 1.00 0.00 O ATOM 1417 CG2 THR A 92 12.900 -1.520 -9.723 1.00 0.00 C ATOM 0 H THR A 92 14.789 -0.228 -8.526 1.00 0.00 H new ATOM 0 HA THR A 92 12.327 0.452 -6.950 1.00 0.00 H new ATOM 0 HB THR A 92 12.172 0.486 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.659 -0.898 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.393 -1.656 -10.678 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.928 -1.203 -9.899 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.900 -2.462 -9.175 1.00 0.00 H new ATOM 1425 N ARG A 93 11.982 -1.870 -5.994 1.00 0.00 N ATOM 1426 CA ARG A 93 11.971 -3.160 -5.235 1.00 0.00 C ATOM 1427 C ARG A 93 11.139 -4.193 -6.001 1.00 0.00 C ATOM 1428 O ARG A 93 10.497 -3.881 -6.984 1.00 0.00 O ATOM 1429 CB ARG A 93 11.355 -2.933 -3.846 1.00 0.00 C ATOM 1430 CG ARG A 93 11.773 -1.561 -3.310 1.00 0.00 C ATOM 1431 CD ARG A 93 13.295 -1.444 -3.315 1.00 0.00 C ATOM 1432 NE ARG A 93 13.910 -2.688 -2.739 1.00 0.00 N ATOM 1433 CZ ARG A 93 13.620 -3.103 -1.534 1.00 0.00 C ATOM 1434 NH1 ARG A 93 12.917 -2.355 -0.726 1.00 0.00 N ATOM 1435 NH2 ARG A 93 14.080 -4.250 -1.115 1.00 0.00 N ATOM 0 H ARG A 93 11.195 -1.251 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 93 12.992 -3.525 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.268 -2.994 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.681 -3.716 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.337 -0.773 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.392 -1.425 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.652 -1.290 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.603 -0.574 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 93 14.571 -3.222 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.590 -1.439 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.695 -2.687 0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.664 -4.820 -1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.856 -4.577 -0.175 1.00 0.00 H new ATOM 1449 N LYS A 94 11.137 -5.425 -5.554 1.00 0.00 N ATOM 1450 CA LYS A 94 10.338 -6.478 -6.256 1.00 0.00 C ATOM 1451 C LYS A 94 9.799 -7.493 -5.239 1.00 0.00 C ATOM 1452 O LYS A 94 10.455 -8.463 -4.917 1.00 0.00 O ATOM 1453 CB LYS A 94 11.230 -7.205 -7.267 1.00 0.00 C ATOM 1454 CG LYS A 94 12.059 -6.187 -8.053 1.00 0.00 C ATOM 1455 CD LYS A 94 12.827 -6.906 -9.165 1.00 0.00 C ATOM 1456 CE LYS A 94 13.634 -5.887 -9.971 1.00 0.00 C ATOM 1457 NZ LYS A 94 12.715 -5.106 -10.847 1.00 0.00 N ATOM 0 H LYS A 94 11.653 -5.747 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 94 9.502 -6.005 -6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.889 -7.902 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.617 -7.793 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.408 -5.424 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.755 -5.676 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.493 -7.655 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.132 -7.434 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.169 -5.217 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.384 -6.397 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.272 -4.562 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.080 -5.757 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.151 -4.454 -10.265 1.00 0.00 H new ATOM 1471 N TYR A 95 8.602 -7.295 -4.743 1.00 0.00 N ATOM 1472 CA TYR A 95 8.029 -8.273 -3.766 1.00 0.00 C ATOM 1473 C TYR A 95 7.318 -9.385 -4.543 1.00 0.00 C ATOM 1474 O TYR A 95 7.330 -9.410 -5.760 1.00 0.00 O ATOM 1475 CB TYR A 95 7.007 -7.585 -2.850 1.00 0.00 C ATOM 1476 CG TYR A 95 7.582 -6.314 -2.267 1.00 0.00 C ATOM 1477 CD1 TYR A 95 7.597 -5.142 -3.034 1.00 0.00 C ATOM 1478 CD2 TYR A 95 8.089 -6.301 -0.957 1.00 0.00 C ATOM 1479 CE1 TYR A 95 8.118 -3.959 -2.494 1.00 0.00 C ATOM 1480 CE2 TYR A 95 8.608 -5.117 -0.421 1.00 0.00 C ATOM 1481 CZ TYR A 95 8.623 -3.947 -1.189 1.00 0.00 C ATOM 1482 OH TYR A 95 9.136 -2.781 -0.659 1.00 0.00 O ATOM 0 H TYR A 95 8.000 -6.504 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 95 8.837 -8.679 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.103 -7.356 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.719 -8.262 -2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.207 -5.150 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.078 -7.204 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.130 -3.055 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.997 -5.106 0.586 1.00 0.00 H new ATOM 0 HH TYR A 95 8.678 -2.011 -1.057 1.00 0.00 H new ATOM 1492 N LYS A 96 6.689 -10.300 -3.852 1.00 0.00 N ATOM 1493 CA LYS A 96 5.967 -11.410 -4.548 1.00 0.00 C ATOM 1494 C LYS A 96 4.741 -11.812 -3.728 1.00 0.00 C ATOM 1495 O LYS A 96 4.854 -12.420 -2.682 1.00 0.00 O ATOM 1496 CB LYS A 96 6.900 -12.613 -4.697 1.00 0.00 C ATOM 1497 CG LYS A 96 6.207 -13.696 -5.533 1.00 0.00 C ATOM 1498 CD LYS A 96 7.196 -14.826 -5.861 1.00 0.00 C ATOM 1499 CE LYS A 96 7.352 -15.757 -4.654 1.00 0.00 C ATOM 1500 NZ LYS A 96 8.186 -16.931 -5.038 1.00 0.00 N ATOM 0 H LYS A 96 6.643 -10.328 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 96 5.650 -11.074 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.830 -12.308 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.162 -13.008 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.353 -14.097 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.820 -13.262 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.841 -15.391 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.164 -14.405 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.817 -15.222 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.373 -16.090 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.293 -17.564 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.725 -17.445 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.124 -16.604 -5.347 1.00 0.00 H new ATOM 1514 N MET A 97 3.567 -11.479 -4.196 1.00 0.00 N ATOM 1515 CA MET A 97 2.334 -11.844 -3.443 1.00 0.00 C ATOM 1516 C MET A 97 2.396 -13.320 -3.043 1.00 0.00 C ATOM 1517 O MET A 97 2.443 -14.198 -3.882 1.00 0.00 O ATOM 1518 CB MET A 97 1.105 -11.602 -4.323 1.00 0.00 C ATOM 1519 CG MET A 97 0.858 -10.098 -4.459 1.00 0.00 C ATOM 1520 SD MET A 97 -0.716 -9.818 -5.308 1.00 0.00 S ATOM 1521 CE MET A 97 -1.145 -8.263 -4.488 1.00 0.00 C ATOM 0 H MET A 97 3.410 -10.971 -5.066 1.00 0.00 H new ATOM 0 HA MET A 97 2.263 -11.229 -2.546 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.257 -12.046 -5.307 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.232 -12.086 -3.886 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.840 -9.631 -3.474 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.672 -9.634 -5.017 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.101 -7.903 -4.868 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.221 -8.427 -3.413 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.372 -7.521 -4.688 1.00 0.00 H new ATOM 1531 N THR A 98 2.398 -13.601 -1.766 1.00 0.00 N ATOM 1532 CA THR A 98 2.457 -15.021 -1.301 1.00 0.00 C ATOM 1533 C THR A 98 1.582 -15.178 -0.057 1.00 0.00 C ATOM 1534 O THR A 98 1.588 -16.204 0.594 1.00 0.00 O ATOM 1535 CB THR A 98 3.903 -15.387 -0.955 1.00 0.00 C ATOM 1536 OG1 THR A 98 4.491 -14.331 -0.208 1.00 0.00 O ATOM 1537 CG2 THR A 98 4.698 -15.607 -2.243 1.00 0.00 C ATOM 0 H THR A 98 2.361 -12.905 -1.021 1.00 0.00 H new ATOM 0 HA THR A 98 2.096 -15.680 -2.091 1.00 0.00 H new ATOM 0 HB THR A 98 3.915 -16.302 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.771 -14.667 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.727 -15.867 -1.995 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.246 -16.417 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.688 -14.693 -2.837 1.00 0.00 H new ATOM 1545 N SER A 99 0.828 -14.167 0.278 1.00 0.00 N ATOM 1546 CA SER A 99 -0.047 -14.253 1.474 1.00 0.00 C ATOM 1547 C SER A 99 -1.066 -13.123 1.414 1.00 0.00 C ATOM 1548 O SER A 99 -0.737 -11.967 1.587 1.00 0.00 O ATOM 1549 CB SER A 99 0.801 -14.113 2.734 1.00 0.00 C ATOM 1550 OG SER A 99 -0.050 -14.038 3.869 1.00 0.00 O ATOM 0 H SER A 99 0.782 -13.283 -0.229 1.00 0.00 H new ATOM 0 HA SER A 99 -0.560 -15.214 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.476 -14.963 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.421 -13.219 2.671 1.00 0.00 H new ATOM 0 HG SER A 99 0.493 -13.950 4.680 1.00 0.00 H new ATOM 1556 N ILE A 100 -2.301 -13.448 1.145 1.00 0.00 N ATOM 1557 CA ILE A 100 -3.365 -12.407 1.039 1.00 0.00 C ATOM 1558 C ILE A 100 -4.445 -12.671 2.088 1.00 0.00 C ATOM 1559 O ILE A 100 -4.498 -13.728 2.683 1.00 0.00 O ATOM 1560 CB ILE A 100 -3.959 -12.486 -0.367 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -2.899 -12.032 -1.387 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -5.192 -11.585 -0.464 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -3.236 -12.591 -2.769 1.00 0.00 C ATOM 0 H ILE A 100 -2.623 -14.404 0.992 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.953 -11.413 1.214 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.257 -13.513 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.860 -10.943 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.912 -12.375 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.610 -11.647 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.939 -11.911 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.907 -10.554 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.482 -12.266 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.252 -13.680 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.215 -12.226 -3.080 1.00 0.00 H new ATOM 1842 N ASP A 118 9.465 -10.882 6.693 1.00 0.00 N ATOM 1843 CA ASP A 118 10.584 -10.113 6.053 1.00 0.00 C ATOM 1844 C ASP A 118 9.990 -8.966 5.242 1.00 0.00 C ATOM 1845 O ASP A 118 8.799 -8.923 5.040 1.00 0.00 O ATOM 1846 CB ASP A 118 11.367 -11.043 5.123 1.00 0.00 C ATOM 1847 CG ASP A 118 12.657 -10.353 4.678 1.00 0.00 C ATOM 1848 OD1 ASP A 118 12.603 -9.602 3.718 1.00 0.00 O ATOM 1849 OD2 ASP A 118 13.677 -10.588 5.303 1.00 0.00 O ATOM 0 HA ASP A 118 11.253 -9.718 6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 118 11.600 -11.976 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.761 -11.300 4.254 1.00 0.00 H new ATOM 1854 N LYS A 119 10.817 -8.042 4.782 1.00 0.00 N ATOM 1855 CA LYS A 119 10.328 -6.865 3.972 1.00 0.00 C ATOM 1856 C LYS A 119 9.031 -7.214 3.230 1.00 0.00 C ATOM 1857 O LYS A 119 9.045 -7.626 2.087 1.00 0.00 O ATOM 1858 CB LYS A 119 11.406 -6.477 2.953 1.00 0.00 C ATOM 1859 CG LYS A 119 12.600 -5.810 3.668 1.00 0.00 C ATOM 1860 CD LYS A 119 12.356 -4.296 3.830 1.00 0.00 C ATOM 1861 CE LYS A 119 12.803 -3.550 2.567 1.00 0.00 C ATOM 1862 NZ LYS A 119 12.641 -2.084 2.775 1.00 0.00 N ATOM 0 H LYS A 119 11.825 -8.055 4.937 1.00 0.00 H new ATOM 0 HA LYS A 119 10.128 -6.033 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.744 -7.363 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.988 -5.794 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.747 -6.267 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.513 -5.978 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.299 -4.109 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.904 -3.922 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.844 -3.784 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.211 -3.875 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.896 -1.724 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.377 -1.901 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.537 -1.602 2.561 1.00 0.00 H new ATOM 1876 N GLN A 120 7.914 -7.078 3.897 1.00 0.00 N ATOM 1877 CA GLN A 120 6.603 -7.425 3.275 1.00 0.00 C ATOM 1878 C GLN A 120 5.897 -6.169 2.770 1.00 0.00 C ATOM 1879 O GLN A 120 6.297 -5.055 3.054 1.00 0.00 O ATOM 1880 CB GLN A 120 5.716 -8.121 4.319 1.00 0.00 C ATOM 1881 CG GLN A 120 5.639 -7.281 5.616 1.00 0.00 C ATOM 1882 CD GLN A 120 6.715 -7.721 6.619 1.00 0.00 C ATOM 1883 OE1 GLN A 120 7.113 -8.866 6.638 1.00 0.00 O ATOM 1884 NE2 GLN A 120 7.193 -6.852 7.470 1.00 0.00 N ATOM 0 H GLN A 120 7.855 -6.737 4.857 1.00 0.00 H new ATOM 0 HA GLN A 120 6.781 -8.090 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.715 -8.267 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.116 -9.110 4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.768 -6.225 5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.652 -7.388 6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.860 -5.888 7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 120 7.899 -7.138 8.148 1.00 0.00 H new ATOM 1893 N LEU A 121 4.836 -6.354 2.027 1.00 0.00 N ATOM 1894 CA LEU A 121 4.055 -5.200 1.482 1.00 0.00 C ATOM 1895 C LEU A 121 2.602 -5.323 1.949 1.00 0.00 C ATOM 1896 O LEU A 121 1.839 -6.108 1.422 1.00 0.00 O ATOM 1897 CB LEU A 121 4.099 -5.248 -0.051 1.00 0.00 C ATOM 1898 CG LEU A 121 3.544 -3.935 -0.643 1.00 0.00 C ATOM 1899 CD1 LEU A 121 4.638 -2.862 -0.681 1.00 0.00 C ATOM 1900 CD2 LEU A 121 3.045 -4.185 -2.070 1.00 0.00 C ATOM 0 H LEU A 121 4.471 -7.271 1.770 1.00 0.00 H new ATOM 0 HA LEU A 121 4.479 -4.259 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.124 -5.402 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.514 -6.094 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 121 2.723 -3.590 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.231 -1.942 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.996 -2.672 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 121 5.466 -3.208 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.653 -3.257 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.870 -4.540 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.256 -4.936 -2.053 1.00 0.00 H new ATOM 1912 N THR A 122 2.211 -4.559 2.936 1.00 0.00 N ATOM 1913 CA THR A 122 0.804 -4.642 3.437 1.00 0.00 C ATOM 1914 C THR A 122 -0.043 -3.569 2.750 1.00 0.00 C ATOM 1915 O THR A 122 -0.196 -2.473 3.244 1.00 0.00 O ATOM 1916 CB THR A 122 0.788 -4.412 4.951 1.00 0.00 C ATOM 1917 OG1 THR A 122 1.769 -5.240 5.562 1.00 0.00 O ATOM 1918 CG2 THR A 122 -0.593 -4.762 5.506 1.00 0.00 C ATOM 0 H THR A 122 2.803 -3.882 3.417 1.00 0.00 H new ATOM 0 HA THR A 122 0.395 -5.628 3.215 1.00 0.00 H new ATOM 0 HB THR A 122 1.009 -3.366 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.513 -4.686 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.604 -4.598 6.584 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.345 -4.129 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.815 -5.808 5.296 1.00 0.00 H new ATOM 1926 N LEU A 123 -0.596 -3.872 1.608 1.00 0.00 N ATOM 1927 CA LEU A 123 -1.425 -2.858 0.891 1.00 0.00 C ATOM 1928 C LEU A 123 -2.837 -2.838 1.492 1.00 0.00 C ATOM 1929 O LEU A 123 -3.450 -3.866 1.695 1.00 0.00 O ATOM 1930 CB LEU A 123 -1.469 -3.221 -0.617 1.00 0.00 C ATOM 1931 CG LEU A 123 -0.856 -2.096 -1.471 1.00 0.00 C ATOM 1932 CD1 LEU A 123 -0.539 -2.624 -2.874 1.00 0.00 C ATOM 1933 CD2 LEU A 123 -1.854 -0.937 -1.567 1.00 0.00 C ATOM 0 H LEU A 123 -0.511 -4.774 1.140 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.991 -1.864 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.925 -4.150 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -2.501 -3.395 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 123 0.066 -1.747 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -0.105 -1.824 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.171 -3.448 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -1.456 -2.976 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -1.426 -0.137 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -2.776 -1.288 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -2.072 -0.561 -0.568 1.00 0.00 H new ATOM 1945 N ILE A 124 -3.348 -1.663 1.779 1.00 0.00 N ATOM 1946 CA ILE A 124 -4.718 -1.541 2.373 1.00 0.00 C ATOM 1947 C ILE A 124 -5.647 -0.847 1.377 1.00 0.00 C ATOM 1948 O ILE A 124 -5.211 -0.166 0.471 1.00 0.00 O ATOM 1949 CB ILE A 124 -4.648 -0.692 3.645 1.00 0.00 C ATOM 1950 CG1 ILE A 124 -3.631 -1.296 4.621 1.00 0.00 C ATOM 1951 CG2 ILE A 124 -6.028 -0.649 4.308 1.00 0.00 C ATOM 1952 CD1 ILE A 124 -3.279 -0.259 5.687 1.00 0.00 C ATOM 0 H ILE A 124 -2.869 -0.775 1.625 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.096 -2.536 2.606 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.336 0.319 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -4.044 -2.190 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.733 -1.603 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.978 -0.044 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -6.749 -0.211 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.340 -1.661 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.556 -0.684 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -2.849 0.622 5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.181 0.026 6.229 1.00 0.00 H new ATOM 1964 N THR A 125 -6.929 -1.012 1.543 1.00 0.00 N ATOM 1965 CA THR A 125 -7.904 -0.366 0.626 1.00 0.00 C ATOM 1966 C THR A 125 -8.416 0.935 1.253 1.00 0.00 C ATOM 1967 O THR A 125 -8.225 1.186 2.427 1.00 0.00 O ATOM 1968 CB THR A 125 -9.078 -1.312 0.428 1.00 0.00 C ATOM 1969 OG1 THR A 125 -9.703 -1.545 1.676 1.00 0.00 O ATOM 1970 CG2 THR A 125 -8.576 -2.637 -0.145 1.00 0.00 C ATOM 0 H THR A 125 -7.346 -1.574 2.285 1.00 0.00 H new ATOM 0 HA THR A 125 -7.425 -0.145 -0.328 1.00 0.00 H new ATOM 0 HB THR A 125 -9.793 -0.867 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 125 -10.643 -1.780 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 125 -9.418 -3.314 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 125 -8.089 -2.458 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 125 -7.862 -3.085 0.546 1.00 0.00 H new ATOM 1978 N CYS A 126 -9.080 1.758 0.485 1.00 0.00 N ATOM 1979 CA CYS A 126 -9.620 3.037 1.041 1.00 0.00 C ATOM 1980 C CYS A 126 -10.891 3.423 0.282 1.00 0.00 C ATOM 1981 O CYS A 126 -10.857 4.201 -0.647 1.00 0.00 O ATOM 1982 CB CYS A 126 -8.565 4.147 0.899 1.00 0.00 C ATOM 1983 SG CYS A 126 -7.538 4.190 2.388 1.00 0.00 S ATOM 0 H CYS A 126 -9.273 1.601 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.858 2.906 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -7.945 3.965 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.052 5.111 0.751 1.00 0.00 H new ATOM 0 HG CYS A 126 -8.228 4.676 3.377 1.00 0.00 H new ATOM 1989 N ASP A 127 -12.017 2.893 0.673 1.00 0.00 N ATOM 1990 CA ASP A 127 -13.291 3.239 -0.024 1.00 0.00 C ATOM 1991 C ASP A 127 -14.441 3.191 0.988 1.00 0.00 C ATOM 1992 O ASP A 127 -14.602 2.228 1.709 1.00 0.00 O ATOM 1993 CB ASP A 127 -13.537 2.235 -1.158 1.00 0.00 C ATOM 1994 CG ASP A 127 -14.946 2.430 -1.726 1.00 0.00 C ATOM 1995 OD1 ASP A 127 -15.222 3.514 -2.211 1.00 0.00 O ATOM 1996 OD2 ASP A 127 -15.723 1.491 -1.663 1.00 0.00 O ATOM 0 H ASP A 127 -12.111 2.234 1.446 1.00 0.00 H new ATOM 0 HA ASP A 127 -13.228 4.241 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -12.795 2.372 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.422 1.217 -0.786 1.00 0.00 H new ATOM 2001 N ASP A 128 -15.230 4.236 1.046 1.00 0.00 N ATOM 2002 CA ASP A 128 -16.372 4.284 2.010 1.00 0.00 C ATOM 2003 C ASP A 128 -15.841 4.634 3.406 1.00 0.00 C ATOM 2004 O ASP A 128 -15.975 3.875 4.340 1.00 0.00 O ATOM 2005 CB ASP A 128 -17.100 2.922 2.045 1.00 0.00 C ATOM 2006 CG ASP A 128 -18.582 3.125 2.384 1.00 0.00 C ATOM 2007 OD1 ASP A 128 -18.864 3.924 3.262 1.00 0.00 O ATOM 2008 OD2 ASP A 128 -19.406 2.480 1.759 1.00 0.00 O ATOM 0 H ASP A 128 -15.130 5.065 0.461 1.00 0.00 H new ATOM 0 HA ASP A 128 -17.082 5.046 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -17.005 2.425 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -16.635 2.271 2.786 1.00 0.00 H new ATOM 2013 N TYR A 129 -15.232 5.776 3.556 1.00 0.00 N ATOM 2014 CA TYR A 129 -14.693 6.156 4.892 1.00 0.00 C ATOM 2015 C TYR A 129 -15.845 6.377 5.881 1.00 0.00 C ATOM 2016 O TYR A 129 -16.767 7.123 5.615 1.00 0.00 O ATOM 2017 CB TYR A 129 -13.862 7.436 4.763 1.00 0.00 C ATOM 2018 CG TYR A 129 -13.269 7.797 6.106 1.00 0.00 C ATOM 2019 CD1 TYR A 129 -14.053 8.435 7.074 1.00 0.00 C ATOM 2020 CD2 TYR A 129 -11.931 7.495 6.378 1.00 0.00 C ATOM 2021 CE1 TYR A 129 -13.495 8.769 8.314 1.00 0.00 C ATOM 2022 CE2 TYR A 129 -11.374 7.828 7.615 1.00 0.00 C ATOM 2023 CZ TYR A 129 -12.154 8.465 8.585 1.00 0.00 C ATOM 2024 OH TYR A 129 -11.604 8.794 9.806 1.00 0.00 O ATOM 0 H TYR A 129 -15.084 6.461 2.815 1.00 0.00 H new ATOM 0 HA TYR A 129 -14.060 5.351 5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -13.067 7.293 4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -14.487 8.252 4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -15.086 8.669 6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.327 7.003 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.098 9.261 9.062 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -10.340 7.593 7.822 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.666 8.512 9.829 1.00 0.00 H new ATOM 2034 N ASN A 130 -15.802 5.734 7.025 1.00 0.00 N ATOM 2035 CA ASN A 130 -16.896 5.914 8.027 1.00 0.00 C ATOM 2036 C ASN A 130 -16.598 7.142 8.895 1.00 0.00 C ATOM 2037 O ASN A 130 -15.556 7.238 9.514 1.00 0.00 O ATOM 2038 CB ASN A 130 -16.970 4.673 8.922 1.00 0.00 C ATOM 2039 CG ASN A 130 -18.284 4.680 9.704 1.00 0.00 C ATOM 2040 OD1 ASN A 130 -18.607 3.724 10.380 1.00 0.00 O ATOM 2041 ND2 ASN A 130 -19.060 5.725 9.641 1.00 0.00 N ATOM 0 H ASN A 130 -15.058 5.095 7.305 1.00 0.00 H new ATOM 0 HA ASN A 130 -17.845 6.054 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -16.902 3.770 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -16.126 4.659 9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -19.938 5.740 10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -18.789 6.528 9.073 1.00 0.00 H new ATOM 2048 N GLU A 131 -17.506 8.085 8.942 1.00 0.00 N ATOM 2049 CA GLU A 131 -17.286 9.316 9.766 1.00 0.00 C ATOM 2050 C GLU A 131 -18.004 9.175 11.109 1.00 0.00 C ATOM 2051 O GLU A 131 -18.090 10.111 11.878 1.00 0.00 O ATOM 2052 CB GLU A 131 -17.844 10.529 9.021 1.00 0.00 C ATOM 2053 CG GLU A 131 -19.351 10.355 8.822 1.00 0.00 C ATOM 2054 CD GLU A 131 -19.860 11.405 7.833 1.00 0.00 C ATOM 2055 OE1 GLU A 131 -19.142 12.362 7.593 1.00 0.00 O ATOM 2056 OE2 GLU A 131 -20.960 11.236 7.333 1.00 0.00 O ATOM 0 H GLU A 131 -18.395 8.056 8.443 1.00 0.00 H new ATOM 0 HA GLU A 131 -16.218 9.448 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.643 11.440 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.349 10.636 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.566 9.354 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -19.869 10.457 9.776 1.00 0.00 H new ATOM 2063 N LYS A 132 -18.520 8.012 11.397 1.00 0.00 N ATOM 2064 CA LYS A 132 -19.232 7.809 12.693 1.00 0.00 C ATOM 2065 C LYS A 132 -18.220 7.418 13.771 1.00 0.00 C ATOM 2066 O LYS A 132 -18.475 7.548 14.951 1.00 0.00 O ATOM 2067 CB LYS A 132 -20.263 6.689 12.536 1.00 0.00 C ATOM 2068 CG LYS A 132 -21.380 7.140 11.583 1.00 0.00 C ATOM 2069 CD LYS A 132 -22.617 6.234 11.751 1.00 0.00 C ATOM 2070 CE LYS A 132 -23.497 6.741 12.903 1.00 0.00 C ATOM 2071 NZ LYS A 132 -24.765 5.958 12.937 1.00 0.00 N ATOM 0 H LYS A 132 -18.480 7.192 10.791 1.00 0.00 H new ATOM 0 HA LYS A 132 -19.736 8.732 12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -19.782 5.791 12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -20.684 6.431 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -21.648 8.176 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.028 7.100 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -23.192 6.217 10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -22.302 5.210 11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -22.969 6.640 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -23.714 7.801 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -25.363 6.299 13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -25.270 6.076 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -24.548 4.951 13.083 1.00 0.00 H new ATOM 2085 N THR A 133 -17.074 6.937 13.369 1.00 0.00 N ATOM 2086 CA THR A 133 -16.032 6.529 14.362 1.00 0.00 C ATOM 2087 C THR A 133 -14.649 6.944 13.856 1.00 0.00 C ATOM 2088 O THR A 133 -13.645 6.703 14.497 1.00 0.00 O ATOM 2089 CB THR A 133 -16.071 5.008 14.539 1.00 0.00 C ATOM 2090 OG1 THR A 133 -15.729 4.382 13.309 1.00 0.00 O ATOM 2091 CG2 THR A 133 -17.478 4.579 14.958 1.00 0.00 C ATOM 0 H THR A 133 -16.812 6.808 12.392 1.00 0.00 H new ATOM 0 HA THR A 133 -16.230 7.017 15.317 1.00 0.00 H new ATOM 0 HB THR A 133 -15.359 4.711 15.309 1.00 0.00 H new ATOM 0 HG1 THR A 133 -15.752 3.409 13.420 1.00 0.00 H new ATOM 0 HG21 THR A 133 -17.506 3.497 15.084 1.00 0.00 H new ATOM 0 HG22 THR A 133 -17.740 5.061 15.900 1.00 0.00 H new ATOM 0 HG23 THR A 133 -18.192 4.873 14.189 1.00 0.00 H new ATOM 2099 N GLY A 134 -14.586 7.567 12.711 1.00 0.00 N ATOM 2100 CA GLY A 134 -13.265 7.996 12.169 1.00 0.00 C ATOM 2101 C GLY A 134 -12.439 6.763 11.797 1.00 0.00 C ATOM 2102 O GLY A 134 -11.286 6.643 12.164 1.00 0.00 O ATOM 0 H GLY A 134 -15.391 7.797 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.408 8.629 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -12.733 8.593 12.910 1.00 0.00 H new ATOM 2106 N VAL A 135 -13.018 5.844 11.070 1.00 0.00 N ATOM 2107 CA VAL A 135 -12.272 4.611 10.671 1.00 0.00 C ATOM 2108 C VAL A 135 -12.745 4.159 9.289 1.00 0.00 C ATOM 2109 O VAL A 135 -13.925 4.157 9.002 1.00 0.00 O ATOM 2110 CB VAL A 135 -12.553 3.493 11.684 1.00 0.00 C ATOM 2111 CG1 VAL A 135 -11.466 2.420 11.589 1.00 0.00 C ATOM 2112 CG2 VAL A 135 -12.568 4.076 13.097 1.00 0.00 C ATOM 0 H VAL A 135 -13.980 5.893 10.733 1.00 0.00 H new ATOM 0 HA VAL A 135 -11.204 4.826 10.646 1.00 0.00 H new ATOM 0 HB VAL A 135 -13.522 3.045 11.462 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -11.671 1.629 12.311 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -11.456 2.000 10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.495 2.866 11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -12.768 3.282 13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -11.600 4.528 13.315 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -13.347 4.835 13.169 1.00 0.00 H new ATOM 2122 N TRP A 136 -11.846 3.758 8.433 1.00 0.00 N ATOM 2123 CA TRP A 136 -12.273 3.295 7.090 1.00 0.00 C ATOM 2124 C TRP A 136 -13.352 2.222 7.268 1.00 0.00 C ATOM 2125 O TRP A 136 -13.089 1.149 7.771 1.00 0.00 O ATOM 2126 CB TRP A 136 -11.059 2.724 6.334 1.00 0.00 C ATOM 2127 CG TRP A 136 -10.343 3.838 5.634 1.00 0.00 C ATOM 2128 CD1 TRP A 136 -9.149 4.356 6.001 1.00 0.00 C ATOM 2129 CD2 TRP A 136 -10.769 4.581 4.461 1.00 0.00 C ATOM 2130 NE1 TRP A 136 -8.820 5.375 5.122 1.00 0.00 N ATOM 2131 CE2 TRP A 136 -9.786 5.547 4.155 1.00 0.00 C ATOM 2132 CE3 TRP A 136 -11.905 4.509 3.640 1.00 0.00 C ATOM 2133 CZ2 TRP A 136 -9.924 6.415 3.072 1.00 0.00 C ATOM 2134 CZ3 TRP A 136 -12.050 5.378 2.546 1.00 0.00 C ATOM 2135 CH2 TRP A 136 -11.059 6.331 2.263 1.00 0.00 C ATOM 0 H TRP A 136 -10.841 3.732 8.607 1.00 0.00 H new ATOM 0 HA TRP A 136 -12.679 4.124 6.510 1.00 0.00 H new ATOM 0 HB2 TRP A 136 -10.385 2.224 7.030 1.00 0.00 H new ATOM 0 HB3 TRP A 136 -11.385 1.975 5.612 1.00 0.00 H new ATOM 0 HD1 TRP A 136 -8.552 4.030 6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 136 -7.967 5.930 5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -12.673 3.780 3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 -9.158 7.147 2.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 -12.928 5.313 1.920 1.00 0.00 H new ATOM 0 HH2 TRP A 136 -11.174 6.998 1.421 1.00 0.00 H new ATOM 2146 N GLU A 137 -14.570 2.526 6.876 1.00 0.00 N ATOM 2147 CA GLU A 137 -15.696 1.551 7.031 1.00 0.00 C ATOM 2148 C GLU A 137 -15.202 0.124 6.757 1.00 0.00 C ATOM 2149 O GLU A 137 -14.897 -0.620 7.668 1.00 0.00 O ATOM 2150 CB GLU A 137 -16.824 1.899 6.054 1.00 0.00 C ATOM 2151 CG GLU A 137 -18.061 1.053 6.373 1.00 0.00 C ATOM 2152 CD GLU A 137 -18.672 1.523 7.694 1.00 0.00 C ATOM 2153 OE1 GLU A 137 -19.458 2.456 7.662 1.00 0.00 O ATOM 2154 OE2 GLU A 137 -18.343 0.943 8.715 1.00 0.00 O ATOM 0 H GLU A 137 -14.832 3.416 6.452 1.00 0.00 H new ATOM 0 HA GLU A 137 -16.071 1.608 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -17.067 2.959 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -16.500 1.716 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -18.792 1.141 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -17.787 0.000 6.441 1.00 0.00 H new ATOM 2161 N LYS A 138 -15.103 -0.251 5.509 1.00 0.00 N ATOM 2162 CA LYS A 138 -14.607 -1.616 5.157 1.00 0.00 C ATOM 2163 C LYS A 138 -13.165 -1.485 4.669 1.00 0.00 C ATOM 2164 O LYS A 138 -12.833 -0.562 3.952 1.00 0.00 O ATOM 2165 CB LYS A 138 -15.475 -2.204 4.039 1.00 0.00 C ATOM 2166 CG LYS A 138 -16.951 -1.979 4.371 1.00 0.00 C ATOM 2167 CD LYS A 138 -17.822 -2.805 3.422 1.00 0.00 C ATOM 2168 CE LYS A 138 -19.277 -2.343 3.532 1.00 0.00 C ATOM 2169 NZ LYS A 138 -19.433 -1.027 2.849 1.00 0.00 N ATOM 0 H LYS A 138 -15.347 0.335 4.710 1.00 0.00 H new ATOM 0 HA LYS A 138 -14.656 -2.273 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -15.229 -1.734 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -15.274 -3.270 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -17.149 -2.264 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -17.198 -0.921 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -17.470 -2.692 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -17.746 -3.864 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.939 -3.081 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -19.564 -2.257 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -20.436 -0.870 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -19.097 -0.268 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -18.875 -1.023 1.972 1.00 0.00 H new ATOM 2183 N ARG A 139 -12.296 -2.385 5.051 1.00 0.00 N ATOM 2184 CA ARG A 139 -10.875 -2.277 4.600 1.00 0.00 C ATOM 2185 C ARG A 139 -10.263 -3.670 4.424 1.00 0.00 C ATOM 2186 O ARG A 139 -10.074 -4.405 5.373 1.00 0.00 O ATOM 2187 CB ARG A 139 -10.066 -1.482 5.635 1.00 0.00 C ATOM 2188 CG ARG A 139 -10.527 -1.848 7.054 1.00 0.00 C ATOM 2189 CD ARG A 139 -9.647 -1.140 8.104 1.00 0.00 C ATOM 2190 NE ARG A 139 -9.425 -2.051 9.272 1.00 0.00 N ATOM 2191 CZ ARG A 139 -10.420 -2.688 9.835 1.00 0.00 C ATOM 2192 NH1 ARG A 139 -11.652 -2.421 9.500 1.00 0.00 N ATOM 2193 NH2 ARG A 139 -10.181 -3.561 10.775 1.00 0.00 N ATOM 0 H ARG A 139 -12.505 -3.183 5.650 1.00 0.00 H new ATOM 0 HA ARG A 139 -10.848 -1.760 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.003 -1.697 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.194 -0.413 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.569 -1.560 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.473 -2.928 7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.691 -0.860 7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.128 -0.219 8.435 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.480 -2.177 9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.846 -1.711 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.421 -2.922 9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.222 -3.745 11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.954 -4.060 11.216 1.00 0.00 H new ATOM 2207 N LYS A 140 -9.933 -4.023 3.208 1.00 0.00 N ATOM 2208 CA LYS A 140 -9.306 -5.353 2.942 1.00 0.00 C ATOM 2209 C LYS A 140 -7.788 -5.165 2.908 1.00 0.00 C ATOM 2210 O LYS A 140 -7.305 -4.050 2.844 1.00 0.00 O ATOM 2211 CB LYS A 140 -9.788 -5.879 1.588 1.00 0.00 C ATOM 2212 CG LYS A 140 -11.229 -6.389 1.708 1.00 0.00 C ATOM 2213 CD LYS A 140 -12.156 -5.240 2.132 1.00 0.00 C ATOM 2214 CE LYS A 140 -13.604 -5.585 1.769 1.00 0.00 C ATOM 2215 NZ LYS A 140 -13.801 -5.418 0.301 1.00 0.00 N ATOM 0 H LYS A 140 -10.072 -3.442 2.381 1.00 0.00 H new ATOM 0 HA LYS A 140 -9.581 -6.066 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -9.734 -5.087 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -9.136 -6.683 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -11.559 -6.801 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -11.279 -7.197 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -12.071 -5.068 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -11.857 -4.316 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -13.830 -6.610 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -14.291 -4.938 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -14.816 -5.316 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -13.295 -4.569 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -13.430 -6.253 -0.196 1.00 0.00 H new ATOM 2229 N ILE A 141 -7.023 -6.228 2.953 1.00 0.00 N ATOM 2230 CA ILE A 141 -5.533 -6.069 2.929 1.00 0.00 C ATOM 2231 C ILE A 141 -4.867 -7.255 2.220 1.00 0.00 C ATOM 2232 O ILE A 141 -5.446 -8.311 2.046 1.00 0.00 O ATOM 2233 CB ILE A 141 -5.005 -5.979 4.364 1.00 0.00 C ATOM 2234 CG1 ILE A 141 -5.322 -7.280 5.109 1.00 0.00 C ATOM 2235 CG2 ILE A 141 -5.666 -4.797 5.080 1.00 0.00 C ATOM 2236 CD1 ILE A 141 -4.972 -7.132 6.592 1.00 0.00 C ATOM 0 H ILE A 141 -7.360 -7.189 3.005 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.294 -5.156 2.383 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.925 -5.829 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -6.379 -7.524 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.757 -8.105 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -5.290 -4.734 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -5.433 -3.874 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -6.746 -4.941 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -5.200 -8.061 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -3.910 -6.910 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -5.556 -6.320 7.024 1.00 0.00 H new ATOM 2248 N PHE A 142 -3.635 -7.071 1.823 1.00 0.00 N ATOM 2249 CA PHE A 142 -2.864 -8.147 1.128 1.00 0.00 C ATOM 2250 C PHE A 142 -1.448 -8.154 1.707 1.00 0.00 C ATOM 2251 O PHE A 142 -0.964 -7.132 2.146 1.00 0.00 O ATOM 2252 CB PHE A 142 -2.804 -7.840 -0.372 1.00 0.00 C ATOM 2253 CG PHE A 142 -4.181 -7.456 -0.863 1.00 0.00 C ATOM 2254 CD1 PHE A 142 -4.716 -6.203 -0.537 1.00 0.00 C ATOM 2255 CD2 PHE A 142 -4.923 -8.351 -1.644 1.00 0.00 C ATOM 2256 CE1 PHE A 142 -5.992 -5.847 -0.991 1.00 0.00 C ATOM 2257 CE2 PHE A 142 -6.198 -7.994 -2.099 1.00 0.00 C ATOM 2258 CZ PHE A 142 -6.732 -6.742 -1.772 1.00 0.00 C ATOM 0 H PHE A 142 -3.119 -6.201 1.954 1.00 0.00 H new ATOM 0 HA PHE A 142 -3.340 -9.117 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -2.100 -7.029 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.441 -8.711 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.144 -5.512 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.511 -9.317 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.405 -4.882 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.769 -8.684 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.716 -6.467 -2.123 1.00 0.00 H new ATOM 2268 N VAL A 143 -0.782 -9.287 1.730 1.00 0.00 N ATOM 2269 CA VAL A 143 0.604 -9.336 2.313 1.00 0.00 C ATOM 2270 C VAL A 143 1.569 -10.081 1.384 1.00 0.00 C ATOM 2271 O VAL A 143 1.487 -11.283 1.210 1.00 0.00 O ATOM 2272 CB VAL A 143 0.553 -10.056 3.661 1.00 0.00 C ATOM 2273 CG1 VAL A 143 1.912 -9.940 4.355 1.00 0.00 C ATOM 2274 CG2 VAL A 143 -0.523 -9.414 4.540 1.00 0.00 C ATOM 0 H VAL A 143 -1.134 -10.175 1.373 1.00 0.00 H new ATOM 0 HA VAL A 143 0.963 -8.314 2.437 1.00 0.00 H new ATOM 0 HB VAL A 143 0.315 -11.108 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 143 1.875 -10.453 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.680 -10.395 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.150 -8.888 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -0.561 -9.926 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.284 -8.362 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.492 -9.496 4.047 1.00 0.00 H new ATOM 2284 N ALA A 144 2.505 -9.368 0.810 1.00 0.00 N ATOM 2285 CA ALA A 144 3.517 -10.009 -0.085 1.00 0.00 C ATOM 2286 C ALA A 144 4.815 -10.193 0.707 1.00 0.00 C ATOM 2287 O ALA A 144 4.909 -9.795 1.851 1.00 0.00 O ATOM 2288 CB ALA A 144 3.776 -9.106 -1.294 1.00 0.00 C ATOM 0 H ALA A 144 2.612 -8.360 0.924 1.00 0.00 H new ATOM 0 HA ALA A 144 3.152 -10.974 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 144 4.514 -9.574 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 144 2.847 -8.959 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 144 4.152 -8.141 -0.954 1.00 0.00 H new ATOM 2294 N THR A 145 5.821 -10.786 0.115 1.00 0.00 N ATOM 2295 CA THR A 145 7.112 -10.984 0.847 1.00 0.00 C ATOM 2296 C THR A 145 8.285 -10.840 -0.126 1.00 0.00 C ATOM 2297 O THR A 145 8.237 -11.304 -1.247 1.00 0.00 O ATOM 2298 CB THR A 145 7.135 -12.382 1.478 1.00 0.00 C ATOM 2299 OG1 THR A 145 8.259 -12.490 2.340 1.00 0.00 O ATOM 2300 CG2 THR A 145 7.227 -13.445 0.382 1.00 0.00 C ATOM 0 H THR A 145 5.806 -11.141 -0.841 1.00 0.00 H new ATOM 0 HA THR A 145 7.201 -10.231 1.630 1.00 0.00 H new ATOM 0 HB THR A 145 6.219 -12.536 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 145 8.275 -13.382 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.243 -14.436 0.836 1.00 0.00 H new ATOM 0 HG22 THR A 145 6.364 -13.362 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.140 -13.295 -0.194 1.00 0.00 H new ATOM 2308 N GLU A 146 9.340 -10.196 0.297 1.00 0.00 N ATOM 2309 CA GLU A 146 10.515 -10.020 -0.601 1.00 0.00 C ATOM 2310 C GLU A 146 11.044 -11.390 -1.025 1.00 0.00 C ATOM 2311 O GLU A 146 11.018 -12.340 -0.268 1.00 0.00 O ATOM 2312 CB GLU A 146 11.614 -9.252 0.140 1.00 0.00 C ATOM 2313 CG GLU A 146 12.882 -9.214 -0.716 1.00 0.00 C ATOM 2314 CD GLU A 146 13.861 -8.190 -0.138 1.00 0.00 C ATOM 2315 OE1 GLU A 146 13.485 -7.034 -0.033 1.00 0.00 O ATOM 2316 OE2 GLU A 146 14.969 -8.580 0.191 1.00 0.00 O ATOM 0 H GLU A 146 9.438 -9.785 1.225 1.00 0.00 H new ATOM 0 HA GLU A 146 10.215 -9.459 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 146 11.279 -8.238 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 146 11.824 -9.730 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 146 13.345 -10.200 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 146 12.631 -8.952 -1.744 1.00 0.00 H new ATOM 2323 N VAL A 147 11.522 -11.498 -2.236 1.00 0.00 N ATOM 2324 CA VAL A 147 12.052 -12.804 -2.723 1.00 0.00 C ATOM 2325 C VAL A 147 13.547 -12.898 -2.415 1.00 0.00 C ATOM 2326 O VAL A 147 14.187 -11.920 -2.084 1.00 0.00 O ATOM 2327 CB VAL A 147 11.841 -12.894 -4.233 1.00 0.00 C ATOM 2328 CG1 VAL A 147 10.355 -13.113 -4.528 1.00 0.00 C ATOM 2329 CG2 VAL A 147 12.308 -11.593 -4.893 1.00 0.00 C ATOM 0 H VAL A 147 11.568 -10.735 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 147 11.529 -13.620 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 147 12.417 -13.729 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 147 10.204 -13.177 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 147 10.024 -14.039 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 147 9.778 -12.278 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 147 12.157 -11.657 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 147 11.733 -10.757 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 147 13.366 -11.438 -4.683 1.00 0.00 H new