USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 631 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 62 ASN : amide:sc= 0.343 K(o=0.34,f=-2.6!) USER MOD Set 1.2: A 64 ASN : amide:sc= -0.0059 K(o=0.34,f=-0.64) USER MOD Set 2.1: A 49 ASN : amide:sc= -7.63! C(o=-7.8!,f=-8.7!) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -179:sc= -0.182 (180deg=-0.244) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -7.78 K(o=-11,f=-21!) USER MOD Set 3.2: A 36 ASN : amide:sc= -1.97! C(o=-11!,f=-16!) USER MOD Set 3.3: A 76 ASN : amide:sc= -1.26 K(o=-11,f=-26!) USER MOD Set 4.1: A 11 LYS NZ :NH3+ 148:sc= 1.18 (180deg=-0.102) USER MOD Set 4.2: A 18 GLN : amide:sc= -1.19 K(o=-1.6,f=-5) USER MOD Set 4.3: A 59 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-3.5!) USER MOD Set 5.1: A 8 SER OG : rot 150:sc= 1.01 USER MOD Set 5.2: A 9 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 131:sc= -1.45 (180deg=-3.45!) USER MOD Single : A 15 THR OG1 : rot 152:sc= -1.29 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.85! C(o=-4.9!,f=-5.3!) USER MOD Single : A 37 GLN : amide:sc= -0.985 K(o=-0.98,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= 0.632 K(o=0.63,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.468 USER MOD Single : A 45 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A 46 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 60 ASN : amide:sc=-0.00135 X(o=-0.0014,f=-0.0014) USER MOD Single : A 65 ASN : amide:sc= -13.3! C(o=-13!,f=-21!) USER MOD Single : A 68 SER OG : rot 79:sc= 1.3 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= -0.981! (180deg=-1.37!) USER MOD Single : A 74 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.011) USER MOD Single : A 79 TYR OH : rot -70:sc= -1.86! USER MOD Single : A 80 THR OG1 : rot 68:sc= -1.74! USER MOD Single : A 82 SER OG : rot 180:sc= -0.564 USER MOD Single : A 88 SER OG : rot 180:sc= 0.987 USER MOD Single : A 91 TYR OH : rot -49:sc= -0.0873 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -6.111 6.076 6.256 1.00 0.00 N ATOM 37 CA CYS A 3 -4.758 5.602 5.822 1.00 0.00 C ATOM 38 C CYS A 3 -3.706 5.604 6.964 1.00 0.00 C ATOM 39 O CYS A 3 -2.757 6.357 6.944 1.00 0.00 O ATOM 40 CB CYS A 3 -4.280 6.517 4.675 1.00 0.00 C ATOM 41 SG CYS A 3 -5.139 6.641 3.084 1.00 0.00 S ATOM 0 HA CYS A 3 -4.854 4.565 5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.238 7.527 5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.255 6.221 4.450 1.00 0.00 H new ATOM 46 N GLY A 4 -3.911 4.753 7.937 1.00 0.00 N ATOM 47 CA GLY A 4 -2.967 4.635 9.115 1.00 0.00 C ATOM 48 C GLY A 4 -2.276 3.289 8.971 1.00 0.00 C ATOM 49 O GLY A 4 -1.064 3.159 8.882 1.00 0.00 O ATOM 0 H GLY A 4 -4.707 4.117 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.241 5.448 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.511 4.694 10.058 1.00 0.00 H new ATOM 53 N GLN A 5 -3.138 2.291 8.957 1.00 0.00 N ATOM 54 CA GLN A 5 -2.680 0.861 8.809 1.00 0.00 C ATOM 55 C GLN A 5 -1.713 0.775 7.614 1.00 0.00 C ATOM 56 O GLN A 5 -0.817 -0.051 7.582 1.00 0.00 O ATOM 57 CB GLN A 5 -3.899 -0.078 8.574 1.00 0.00 C ATOM 58 CG GLN A 5 -4.716 -0.230 9.895 1.00 0.00 C ATOM 59 CD GLN A 5 -5.636 -1.441 9.767 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.205 -2.572 9.756 1.00 0.00 O ATOM 61 NE2 GLN A 5 -6.906 -1.260 9.663 1.00 0.00 N ATOM 0 H GLN A 5 -4.148 2.406 9.042 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.175 0.543 9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.535 0.328 7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.556 -1.055 8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.043 -0.355 10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.301 0.670 10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.289 -0.315 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.530 -2.062 9.573 1.00 0.00 H new ATOM 70 N VAL A 6 -1.995 1.669 6.689 1.00 0.00 N ATOM 71 CA VAL A 6 -1.238 1.855 5.413 1.00 0.00 C ATOM 72 C VAL A 6 0.215 1.756 5.862 1.00 0.00 C ATOM 73 O VAL A 6 0.872 0.754 5.659 1.00 0.00 O ATOM 74 CB VAL A 6 -1.662 3.282 4.836 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.683 3.768 3.807 1.00 0.00 C ATOM 76 CG2 VAL A 6 -2.996 3.160 4.111 1.00 0.00 C ATOM 0 H VAL A 6 -2.776 2.318 6.782 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.423 1.138 4.613 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.706 3.969 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.000 4.742 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.305 3.857 4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.642 3.059 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.286 4.134 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.900 2.450 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.758 2.809 4.807 1.00 0.00 H new ATOM 86 N ASP A 7 0.659 2.812 6.491 1.00 0.00 N ATOM 87 CA ASP A 7 2.046 2.904 7.019 1.00 0.00 C ATOM 88 C ASP A 7 2.394 1.653 7.852 1.00 0.00 C ATOM 89 O ASP A 7 3.347 0.947 7.565 1.00 0.00 O ATOM 90 CB ASP A 7 2.086 4.211 7.858 1.00 0.00 C ATOM 91 CG ASP A 7 3.330 4.309 8.763 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.390 3.484 9.665 1.00 0.00 O ATOM 93 OD2 ASP A 7 4.135 5.191 8.500 1.00 0.00 O ATOM 0 H ASP A 7 0.093 3.643 6.665 1.00 0.00 H new ATOM 0 HA ASP A 7 2.792 2.939 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.065 5.069 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.189 4.267 8.475 1.00 0.00 H new ATOM 98 N SER A 8 1.565 1.458 8.847 1.00 0.00 N ATOM 99 CA SER A 8 1.728 0.306 9.799 1.00 0.00 C ATOM 100 C SER A 8 2.349 -0.946 9.154 1.00 0.00 C ATOM 101 O SER A 8 3.264 -1.521 9.710 1.00 0.00 O ATOM 102 CB SER A 8 0.353 -0.017 10.406 1.00 0.00 C ATOM 103 OG SER A 8 0.654 -0.845 11.534 1.00 0.00 O ATOM 0 H SER A 8 0.765 2.059 9.047 1.00 0.00 H new ATOM 0 HA SER A 8 2.433 0.609 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.173 0.889 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.286 -0.535 9.691 1.00 0.00 H new ATOM 0 HG SER A 8 -0.027 -0.714 12.227 1.00 0.00 H new ATOM 109 N LYS A 9 1.831 -1.356 8.014 1.00 0.00 N ATOM 110 CA LYS A 9 2.394 -2.570 7.318 1.00 0.00 C ATOM 111 C LYS A 9 3.146 -2.286 5.987 1.00 0.00 C ATOM 112 O LYS A 9 3.993 -3.055 5.585 1.00 0.00 O ATOM 113 CB LYS A 9 1.266 -3.557 6.975 1.00 0.00 C ATOM 114 CG LYS A 9 0.297 -3.953 8.117 1.00 0.00 C ATOM 115 CD LYS A 9 0.787 -3.551 9.520 1.00 0.00 C ATOM 116 CE LYS A 9 -0.031 -4.232 10.571 1.00 0.00 C ATOM 117 NZ LYS A 9 0.142 -3.428 11.822 1.00 0.00 N ATOM 0 H LYS A 9 1.049 -0.908 7.537 1.00 0.00 H new ATOM 0 HA LYS A 9 3.114 -2.969 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.676 -3.127 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.721 -4.468 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.672 -3.489 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.144 -5.032 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.837 -3.819 9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.719 -2.470 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.080 -4.277 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.303 -5.259 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.579 -3.708 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.089 -3.599 12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.036 -2.417 11.602 1.00 0.00 H new ATOM 131 N MET A 10 2.828 -1.204 5.337 1.00 0.00 N ATOM 132 CA MET A 10 3.463 -0.834 4.046 1.00 0.00 C ATOM 133 C MET A 10 4.584 0.190 4.137 1.00 0.00 C ATOM 134 O MET A 10 5.217 0.495 3.139 1.00 0.00 O ATOM 135 CB MET A 10 2.332 -0.342 3.143 1.00 0.00 C ATOM 136 CG MET A 10 1.169 -1.389 3.177 1.00 0.00 C ATOM 137 SD MET A 10 0.121 -1.500 1.709 1.00 0.00 S ATOM 138 CE MET A 10 1.327 -2.334 0.641 1.00 0.00 C ATOM 0 H MET A 10 2.128 -0.537 5.661 1.00 0.00 H new ATOM 0 HA MET A 10 3.970 -1.713 3.648 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.975 0.631 3.481 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.693 -0.212 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.604 -2.372 3.358 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.532 -1.160 4.031 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.857 -3.194 0.164 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.677 -1.640 -0.124 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.173 -2.670 1.241 1.00 0.00 H new ATOM 148 N LYS A 11 4.829 0.730 5.306 1.00 0.00 N ATOM 149 CA LYS A 11 5.922 1.708 5.420 1.00 0.00 C ATOM 150 C LYS A 11 7.180 1.079 4.789 1.00 0.00 C ATOM 151 O LYS A 11 7.741 1.720 3.938 1.00 0.00 O ATOM 152 CB LYS A 11 6.164 2.040 6.905 1.00 0.00 C ATOM 153 CG LYS A 11 7.595 2.643 7.078 1.00 0.00 C ATOM 154 CD LYS A 11 7.656 4.134 6.612 1.00 0.00 C ATOM 155 CE LYS A 11 7.875 4.316 5.097 1.00 0.00 C ATOM 156 NZ LYS A 11 8.051 5.775 4.798 1.00 0.00 N ATOM 0 H LYS A 11 4.320 0.531 6.167 1.00 0.00 H new ATOM 0 HA LYS A 11 5.673 2.635 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.414 2.749 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.061 1.140 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.894 2.577 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.310 2.053 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.727 4.629 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.462 4.637 7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.754 3.757 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.024 3.919 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.696 5.888 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.128 6.196 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.451 6.254 5.630 1.00 0.00 H new ATOM 170 N PRO A 12 7.616 -0.104 5.181 1.00 0.00 N ATOM 171 CA PRO A 12 8.696 -0.863 4.456 1.00 0.00 C ATOM 172 C PRO A 12 8.582 -0.879 2.916 1.00 0.00 C ATOM 173 O PRO A 12 9.553 -0.919 2.169 1.00 0.00 O ATOM 174 CB PRO A 12 8.638 -2.258 5.101 1.00 0.00 C ATOM 175 CG PRO A 12 7.256 -2.300 5.818 1.00 0.00 C ATOM 176 CD PRO A 12 7.120 -0.882 6.356 1.00 0.00 C ATOM 0 HA PRO A 12 9.666 -0.379 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.720 -3.045 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.456 -2.403 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.449 -2.552 5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.236 -3.041 6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.091 -0.633 6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.723 -0.716 7.249 1.00 0.00 H new ATOM 184 N CYS A 13 7.369 -0.827 2.452 1.00 0.00 N ATOM 185 CA CYS A 13 7.232 -0.844 0.963 1.00 0.00 C ATOM 186 C CYS A 13 7.420 0.574 0.459 1.00 0.00 C ATOM 187 O CYS A 13 8.025 0.806 -0.573 1.00 0.00 O ATOM 188 CB CYS A 13 5.880 -1.386 0.632 1.00 0.00 C ATOM 189 SG CYS A 13 5.546 -2.968 1.426 1.00 0.00 S ATOM 0 H CYS A 13 6.508 -0.776 2.997 1.00 0.00 H new ATOM 0 HA CYS A 13 7.979 -1.477 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.121 -0.665 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.795 -1.502 -0.448 1.00 0.00 H new ATOM 194 N LEU A 14 6.900 1.522 1.188 1.00 0.00 N ATOM 195 CA LEU A 14 7.088 2.918 0.714 1.00 0.00 C ATOM 196 C LEU A 14 8.593 3.190 0.840 1.00 0.00 C ATOM 197 O LEU A 14 9.170 3.672 -0.107 1.00 0.00 O ATOM 198 CB LEU A 14 6.358 3.973 1.571 1.00 0.00 C ATOM 199 CG LEU A 14 6.297 5.229 0.667 1.00 0.00 C ATOM 200 CD1 LEU A 14 5.048 5.082 -0.211 1.00 0.00 C ATOM 201 CD2 LEU A 14 6.328 6.508 1.491 1.00 0.00 C ATOM 0 H LEU A 14 6.375 1.400 2.054 1.00 0.00 H new ATOM 0 HA LEU A 14 6.686 3.001 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.360 3.636 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.897 4.175 2.496 1.00 0.00 H new ATOM 0 HG LEU A 14 7.174 5.306 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.962 5.947 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.130 4.176 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.163 5.018 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.284 7.370 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.473 6.526 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.250 6.544 2.072 1.00 0.00 H new ATOM 213 N THR A 15 9.181 2.879 1.989 1.00 0.00 N ATOM 214 CA THR A 15 10.663 3.091 2.248 1.00 0.00 C ATOM 215 C THR A 15 11.280 2.617 0.956 1.00 0.00 C ATOM 216 O THR A 15 11.898 3.407 0.273 1.00 0.00 O ATOM 217 CB THR A 15 11.295 2.202 3.416 1.00 0.00 C ATOM 218 OG1 THR A 15 10.836 0.899 3.162 1.00 0.00 O ATOM 219 CG2 THR A 15 10.769 2.352 4.829 1.00 0.00 C ATOM 0 H THR A 15 8.680 2.475 2.781 1.00 0.00 H new ATOM 0 HA THR A 15 10.838 4.123 2.551 1.00 0.00 H new ATOM 0 HB THR A 15 12.351 2.471 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.482 0.251 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.309 1.676 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.913 3.379 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.707 2.109 4.849 1.00 0.00 H new ATOM 227 N TYR A 16 11.094 1.359 0.657 1.00 0.00 N ATOM 228 CA TYR A 16 11.656 0.818 -0.607 1.00 0.00 C ATOM 229 C TYR A 16 11.443 1.773 -1.810 1.00 0.00 C ATOM 230 O TYR A 16 12.406 2.257 -2.377 1.00 0.00 O ATOM 231 CB TYR A 16 10.980 -0.523 -0.833 1.00 0.00 C ATOM 232 CG TYR A 16 11.393 -1.237 -2.130 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.715 -1.354 -2.522 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.414 -1.820 -2.911 1.00 0.00 C ATOM 235 CE1 TYR A 16 13.035 -2.050 -3.677 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.748 -2.509 -4.056 1.00 0.00 C ATOM 237 CZ TYR A 16 12.048 -2.628 -4.436 1.00 0.00 C ATOM 238 OH TYR A 16 12.341 -3.350 -5.566 1.00 0.00 O ATOM 0 H TYR A 16 10.581 0.690 1.231 1.00 0.00 H new ATOM 0 HA TYR A 16 12.737 0.709 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.203 -1.175 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.900 -0.374 -0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.497 -0.903 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.377 -1.735 -2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.067 -2.138 -3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.971 -2.958 -4.657 1.00 0.00 H new ATOM 0 HH TYR A 16 11.510 -3.681 -5.967 1.00 0.00 H new ATOM 248 N VAL A 17 10.219 2.058 -2.190 1.00 0.00 N ATOM 249 CA VAL A 17 10.044 2.977 -3.371 1.00 0.00 C ATOM 250 C VAL A 17 10.609 4.370 -3.213 1.00 0.00 C ATOM 251 O VAL A 17 11.061 4.856 -4.226 1.00 0.00 O ATOM 252 CB VAL A 17 8.551 3.126 -3.785 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.902 1.800 -3.719 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.698 4.129 -3.055 1.00 0.00 C ATOM 0 H VAL A 17 9.362 1.713 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 17 10.626 2.472 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 17 8.610 3.540 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.855 1.893 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.406 1.114 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.965 1.414 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.687 4.111 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.668 3.878 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.121 5.126 -3.180 1.00 0.00 H new ATOM 264 N GLN A 18 10.592 5.000 -2.065 1.00 0.00 N ATOM 265 CA GLN A 18 11.180 6.371 -1.985 1.00 0.00 C ATOM 266 C GLN A 18 12.710 6.318 -1.855 1.00 0.00 C ATOM 267 O GLN A 18 13.366 7.309 -2.110 1.00 0.00 O ATOM 268 CB GLN A 18 10.560 7.138 -0.783 1.00 0.00 C ATOM 269 CG GLN A 18 10.372 6.326 0.521 1.00 0.00 C ATOM 270 CD GLN A 18 10.023 7.223 1.722 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.740 6.748 2.810 1.00 0.00 O ATOM 272 NE2 GLN A 18 10.031 8.509 1.566 1.00 0.00 N ATOM 0 H GLN A 18 10.204 4.633 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 18 10.946 6.899 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.192 7.999 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.588 7.526 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.580 5.590 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.286 5.773 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.267 8.911 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.802 9.119 2.350 1.00 0.00 H new ATOM 281 N GLY A 19 13.201 5.174 -1.445 1.00 0.00 N ATOM 282 CA GLY A 19 14.682 4.927 -1.274 1.00 0.00 C ATOM 283 C GLY A 19 15.232 4.700 0.150 1.00 0.00 C ATOM 284 O GLY A 19 16.335 5.115 0.442 1.00 0.00 O ATOM 0 H GLY A 19 12.621 4.368 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.944 4.055 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.211 5.778 -1.702 1.00 0.00 H new ATOM 288 N GLY A 20 14.480 4.050 0.995 1.00 0.00 N ATOM 289 CA GLY A 20 14.921 3.768 2.421 1.00 0.00 C ATOM 290 C GLY A 20 15.014 2.260 2.762 1.00 0.00 C ATOM 291 O GLY A 20 14.817 1.431 1.898 1.00 0.00 O ATOM 0 H GLY A 20 13.554 3.688 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.895 4.229 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.221 4.243 3.108 1.00 0.00 H new ATOM 295 N PRO A 21 15.307 1.911 4.003 1.00 0.00 N ATOM 296 CA PRO A 21 15.300 0.483 4.473 1.00 0.00 C ATOM 297 C PRO A 21 14.146 -0.411 3.945 1.00 0.00 C ATOM 298 O PRO A 21 12.995 -0.212 4.286 1.00 0.00 O ATOM 299 CB PRO A 21 15.329 0.613 6.029 1.00 0.00 C ATOM 300 CG PRO A 21 14.952 2.102 6.284 1.00 0.00 C ATOM 301 CD PRO A 21 15.656 2.828 5.127 1.00 0.00 C ATOM 0 HA PRO A 21 16.154 -0.059 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.619 -0.066 6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.313 0.375 6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.873 2.256 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.305 2.449 7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.276 3.838 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.732 2.911 5.279 1.00 0.00 H new ATOM 309 N GLY A 22 14.477 -1.376 3.123 1.00 0.00 N ATOM 310 CA GLY A 22 13.418 -2.296 2.559 1.00 0.00 C ATOM 311 C GLY A 22 13.566 -2.570 1.055 1.00 0.00 C ATOM 312 O GLY A 22 14.432 -2.025 0.402 1.00 0.00 O ATOM 0 H GLY A 22 15.429 -1.573 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.452 -3.244 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.436 -1.860 2.744 1.00 0.00 H new ATOM 316 N PRO A 23 12.721 -3.422 0.521 1.00 0.00 N ATOM 317 CA PRO A 23 11.401 -3.870 1.095 1.00 0.00 C ATOM 318 C PRO A 23 11.536 -5.168 1.917 1.00 0.00 C ATOM 319 O PRO A 23 10.651 -5.629 2.614 1.00 0.00 O ATOM 320 CB PRO A 23 10.580 -4.000 -0.138 1.00 0.00 C ATOM 321 CG PRO A 23 11.595 -4.628 -1.176 1.00 0.00 C ATOM 322 CD PRO A 23 12.985 -4.063 -0.794 1.00 0.00 C ATOM 0 HA PRO A 23 10.959 -3.190 1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.714 -4.643 0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.203 -3.035 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.586 -5.717 -1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.329 -4.357 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.736 -4.849 -0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.348 -3.345 -1.530 1.00 0.00 H new ATOM 330 N SER A 24 12.710 -5.693 1.771 1.00 0.00 N ATOM 331 CA SER A 24 13.154 -6.953 2.434 1.00 0.00 C ATOM 332 C SER A 24 12.128 -8.089 2.691 1.00 0.00 C ATOM 333 O SER A 24 11.896 -8.901 1.806 1.00 0.00 O ATOM 334 CB SER A 24 13.791 -6.459 3.719 1.00 0.00 C ATOM 335 OG SER A 24 14.882 -5.667 3.257 1.00 0.00 O ATOM 0 H SER A 24 13.429 -5.275 1.181 1.00 0.00 H new ATOM 0 HA SER A 24 13.808 -7.486 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.092 -5.873 4.316 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.129 -7.285 4.344 1.00 0.00 H new ATOM 0 HG SER A 24 15.364 -5.295 4.025 1.00 0.00 H new ATOM 341 N GLY A 25 11.548 -8.099 3.874 1.00 0.00 N ATOM 342 CA GLY A 25 10.538 -9.143 4.288 1.00 0.00 C ATOM 343 C GLY A 25 9.260 -8.513 4.837 1.00 0.00 C ATOM 344 O GLY A 25 8.180 -8.816 4.358 1.00 0.00 O ATOM 0 H GLY A 25 11.738 -7.404 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.294 -9.772 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.977 -9.792 5.045 1.00 0.00 H new ATOM 348 N GLU A 26 9.426 -7.664 5.827 1.00 0.00 N ATOM 349 CA GLU A 26 8.257 -6.972 6.451 1.00 0.00 C ATOM 350 C GLU A 26 7.338 -6.422 5.342 1.00 0.00 C ATOM 351 O GLU A 26 6.130 -6.566 5.398 1.00 0.00 O ATOM 352 CB GLU A 26 8.792 -5.828 7.413 1.00 0.00 C ATOM 353 CG GLU A 26 9.796 -4.764 6.792 1.00 0.00 C ATOM 354 CD GLU A 26 11.270 -5.213 6.712 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.552 -6.049 5.869 1.00 0.00 O ATOM 356 OE2 GLU A 26 12.039 -4.691 7.502 1.00 0.00 O ATOM 0 H GLU A 26 10.331 -7.421 6.230 1.00 0.00 H new ATOM 0 HA GLU A 26 7.667 -7.665 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.931 -5.289 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.286 -6.303 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.456 -4.512 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.744 -3.851 7.385 1.00 0.00 H new ATOM 363 N CYS A 27 7.945 -5.818 4.342 1.00 0.00 N ATOM 364 CA CYS A 27 7.118 -5.267 3.227 1.00 0.00 C ATOM 365 C CYS A 27 6.267 -6.388 2.635 1.00 0.00 C ATOM 366 O CYS A 27 5.066 -6.328 2.637 1.00 0.00 O ATOM 367 CB CYS A 27 7.965 -4.725 2.083 1.00 0.00 C ATOM 368 SG CYS A 27 6.976 -4.179 0.664 1.00 0.00 S ATOM 0 H CYS A 27 8.953 -5.687 4.254 1.00 0.00 H new ATOM 0 HA CYS A 27 6.521 -4.460 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.562 -3.889 2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.662 -5.497 1.757 1.00 0.00 H new ATOM 373 N CYS A 28 6.908 -7.405 2.142 1.00 0.00 N ATOM 374 CA CYS A 28 6.130 -8.534 1.540 1.00 0.00 C ATOM 375 C CYS A 28 4.972 -9.041 2.368 1.00 0.00 C ATOM 376 O CYS A 28 3.880 -9.190 1.850 1.00 0.00 O ATOM 377 CB CYS A 28 7.108 -9.633 1.253 1.00 0.00 C ATOM 378 SG CYS A 28 8.262 -9.151 -0.043 1.00 0.00 S ATOM 0 H CYS A 28 7.922 -7.510 2.126 1.00 0.00 H new ATOM 0 HA CYS A 28 5.647 -8.159 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.658 -9.881 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.571 -10.532 0.950 1.00 0.00 H new ATOM 383 N ASN A 29 5.231 -9.279 3.627 1.00 0.00 N ATOM 384 CA ASN A 29 4.113 -9.776 4.468 1.00 0.00 C ATOM 385 C ASN A 29 3.129 -8.606 4.547 1.00 0.00 C ATOM 386 O ASN A 29 1.991 -8.769 4.172 1.00 0.00 O ATOM 387 CB ASN A 29 4.685 -10.219 5.879 1.00 0.00 C ATOM 388 CG ASN A 29 4.747 -9.111 6.914 1.00 0.00 C ATOM 389 OD1 ASN A 29 5.781 -8.692 7.373 1.00 0.00 O ATOM 390 ND2 ASN A 29 3.630 -8.597 7.315 1.00 0.00 N ATOM 0 H ASN A 29 6.131 -9.156 4.091 1.00 0.00 H new ATOM 0 HA ASN A 29 3.608 -10.655 4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.067 -11.028 6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.687 -10.623 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.633 -7.849 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.746 -8.939 6.937 1.00 0.00 H new ATOM 397 N GLY A 30 3.574 -7.458 4.999 1.00 0.00 N ATOM 398 CA GLY A 30 2.670 -6.271 5.112 1.00 0.00 C ATOM 399 C GLY A 30 1.745 -6.191 3.914 1.00 0.00 C ATOM 400 O GLY A 30 0.545 -6.188 4.030 1.00 0.00 O ATOM 0 H GLY A 30 4.535 -7.292 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.083 -6.340 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.264 -5.360 5.182 1.00 0.00 H new ATOM 404 N VAL A 31 2.386 -6.128 2.796 1.00 0.00 N ATOM 405 CA VAL A 31 1.740 -6.055 1.469 1.00 0.00 C ATOM 406 C VAL A 31 0.757 -7.197 1.302 1.00 0.00 C ATOM 407 O VAL A 31 -0.410 -6.972 1.085 1.00 0.00 O ATOM 408 CB VAL A 31 2.820 -6.164 0.381 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.152 -6.340 -0.946 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.637 -4.923 0.237 1.00 0.00 C ATOM 0 H VAL A 31 3.405 -6.124 2.747 1.00 0.00 H new ATOM 0 HA VAL A 31 1.207 -5.108 1.382 1.00 0.00 H new ATOM 0 HB VAL A 31 3.459 -6.997 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.909 -6.419 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.549 -7.248 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.511 -5.482 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.381 -5.066 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.987 -4.088 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.140 -4.707 1.179 1.00 0.00 H new ATOM 420 N ARG A 32 1.243 -8.404 1.400 1.00 0.00 N ATOM 421 CA ARG A 32 0.382 -9.609 1.246 1.00 0.00 C ATOM 422 C ARG A 32 -0.863 -9.496 2.119 1.00 0.00 C ATOM 423 O ARG A 32 -2.000 -9.552 1.680 1.00 0.00 O ATOM 424 CB ARG A 32 1.222 -10.824 1.647 1.00 0.00 C ATOM 425 CG ARG A 32 0.702 -12.101 0.949 1.00 0.00 C ATOM 426 CD ARG A 32 -0.820 -12.291 1.093 1.00 0.00 C ATOM 427 NE ARG A 32 -1.166 -12.276 2.560 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.871 -13.163 3.156 1.00 0.00 C ATOM 429 NH1 ARG A 32 -2.685 -13.927 2.525 1.00 0.00 N ATOM 430 NH2 ARG A 32 -1.697 -13.202 4.416 1.00 0.00 N ATOM 0 H ARG A 32 2.225 -8.609 1.585 1.00 0.00 H new ATOM 0 HA ARG A 32 0.041 -9.707 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.265 -10.656 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.188 -10.955 2.729 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.958 -12.059 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.212 -12.969 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.352 -11.497 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.129 -13.233 0.640 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.812 -11.501 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.787 -13.839 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.230 -14.623 3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.041 -12.560 4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.214 -13.876 4.982 1.00 0.00 H new ATOM 444 N ASP A 33 -0.594 -9.335 3.380 1.00 0.00 N ATOM 445 CA ASP A 33 -1.697 -9.206 4.367 1.00 0.00 C ATOM 446 C ASP A 33 -2.575 -8.067 3.840 1.00 0.00 C ATOM 447 O ASP A 33 -3.726 -8.328 3.577 1.00 0.00 O ATOM 448 CB ASP A 33 -0.988 -8.972 5.719 1.00 0.00 C ATOM 449 CG ASP A 33 0.144 -10.006 5.879 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.023 -11.105 5.350 1.00 0.00 O ATOM 451 OD2 ASP A 33 1.095 -9.617 6.527 1.00 0.00 O ATOM 0 H ASP A 33 0.346 -9.287 3.772 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.360 -10.059 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.583 -7.961 5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.701 -9.064 6.539 1.00 0.00 H new ATOM 456 N LEU A 34 -2.077 -6.871 3.678 1.00 0.00 N ATOM 457 CA LEU A 34 -2.875 -5.723 3.153 1.00 0.00 C ATOM 458 C LEU A 34 -3.757 -6.224 1.991 1.00 0.00 C ATOM 459 O LEU A 34 -4.960 -6.094 2.031 1.00 0.00 O ATOM 460 CB LEU A 34 -1.838 -4.664 2.722 1.00 0.00 C ATOM 461 CG LEU A 34 -1.626 -3.519 3.733 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.751 -2.506 3.669 1.00 0.00 C ATOM 463 CD2 LEU A 34 -1.560 -4.027 5.171 1.00 0.00 C ATOM 0 H LEU A 34 -1.110 -6.633 3.897 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.556 -5.286 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.883 -5.160 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.151 -4.236 1.770 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.678 -3.058 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.569 -1.713 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.798 -2.077 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.697 -2.997 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.410 -3.186 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.493 -4.532 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.730 -4.726 5.272 1.00 0.00 H new ATOM 475 N HIS A 35 -3.130 -6.788 0.997 1.00 0.00 N ATOM 476 CA HIS A 35 -3.864 -7.315 -0.185 1.00 0.00 C ATOM 477 C HIS A 35 -4.970 -8.291 0.207 1.00 0.00 C ATOM 478 O HIS A 35 -6.023 -8.245 -0.395 1.00 0.00 O ATOM 479 CB HIS A 35 -2.818 -7.967 -1.103 1.00 0.00 C ATOM 480 CG HIS A 35 -3.460 -8.774 -2.233 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.656 -8.655 -2.702 1.00 0.00 N ATOM 482 CD2 HIS A 35 -2.909 -9.781 -2.981 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.846 -9.507 -3.660 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.777 -10.226 -3.862 1.00 0.00 N ATOM 0 H HIS A 35 -2.118 -6.908 0.954 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.377 -6.505 -0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.179 -7.193 -1.529 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.176 -8.620 -0.512 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.351 -7.987 -2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.903 -10.156 -2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.766 -9.608 -4.216 1.00 0.00 H new ATOM 492 N ASN A 36 -4.727 -9.139 1.173 1.00 0.00 N ATOM 493 CA ASN A 36 -5.773 -10.121 1.601 1.00 0.00 C ATOM 494 C ASN A 36 -6.543 -9.689 2.873 1.00 0.00 C ATOM 495 O ASN A 36 -7.293 -10.463 3.435 1.00 0.00 O ATOM 496 CB ASN A 36 -5.044 -11.478 1.791 1.00 0.00 C ATOM 497 CG ASN A 36 -4.472 -12.017 0.471 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.972 -13.120 0.407 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.491 -11.330 -0.627 1.00 0.00 N ATOM 0 H ASN A 36 -3.847 -9.195 1.686 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.550 -10.191 0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.236 -11.357 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.739 -12.207 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.099 -11.724 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.898 -10.395 -0.637 1.00 0.00 H new ATOM 506 N GLN A 37 -6.332 -8.478 3.316 1.00 0.00 N ATOM 507 CA GLN A 37 -7.026 -7.933 4.520 1.00 0.00 C ATOM 508 C GLN A 37 -7.849 -6.659 4.223 1.00 0.00 C ATOM 509 O GLN A 37 -8.955 -6.491 4.698 1.00 0.00 O ATOM 510 CB GLN A 37 -5.946 -7.685 5.510 1.00 0.00 C ATOM 511 CG GLN A 37 -5.547 -9.071 6.143 1.00 0.00 C ATOM 512 CD GLN A 37 -5.732 -8.954 7.638 1.00 0.00 C ATOM 513 OE1 GLN A 37 -6.231 -9.793 8.353 1.00 0.00 O ATOM 514 NE2 GLN A 37 -5.305 -7.855 8.146 1.00 0.00 N ATOM 0 H GLN A 37 -5.685 -7.823 2.877 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.768 -8.638 4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.085 -7.223 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.287 -6.996 6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.169 -9.870 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.513 -9.320 5.902 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.884 -7.146 7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.387 -7.691 9.149 1.00 0.00 H new ATOM 523 N ALA A 38 -7.300 -5.794 3.418 1.00 0.00 N ATOM 524 CA ALA A 38 -7.952 -4.503 3.014 1.00 0.00 C ATOM 525 C ALA A 38 -8.988 -4.829 1.884 1.00 0.00 C ATOM 526 O ALA A 38 -9.230 -4.044 0.980 1.00 0.00 O ATOM 527 CB ALA A 38 -6.766 -3.574 2.544 1.00 0.00 C ATOM 0 H ALA A 38 -6.380 -5.932 3.000 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.506 -3.997 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.162 -2.608 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.068 -3.430 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.248 -4.041 1.707 1.00 0.00 H new ATOM 533 N GLN A 39 -9.576 -6.000 2.031 1.00 0.00 N ATOM 534 CA GLN A 39 -10.594 -6.558 1.088 1.00 0.00 C ATOM 535 C GLN A 39 -12.026 -6.518 1.690 1.00 0.00 C ATOM 536 O GLN A 39 -12.730 -7.508 1.770 1.00 0.00 O ATOM 537 CB GLN A 39 -10.144 -8.054 0.721 1.00 0.00 C ATOM 538 CG GLN A 39 -10.157 -9.071 1.947 1.00 0.00 C ATOM 539 CD GLN A 39 -9.976 -10.538 1.472 1.00 0.00 C ATOM 540 OE1 GLN A 39 -10.429 -10.956 0.432 1.00 0.00 O ATOM 541 NE2 GLN A 39 -9.330 -11.397 2.186 1.00 0.00 N ATOM 0 H GLN A 39 -9.374 -6.621 2.815 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.639 -5.948 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.803 -8.437 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.138 -8.024 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.360 -8.812 2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.098 -8.977 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.920 -11.115 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.229 -12.358 1.860 1.00 0.00 H new ATOM 550 N SER A 40 -12.429 -5.344 2.125 1.00 0.00 N ATOM 551 CA SER A 40 -13.816 -5.181 2.726 1.00 0.00 C ATOM 552 C SER A 40 -14.634 -4.117 1.991 1.00 0.00 C ATOM 553 O SER A 40 -15.654 -4.380 1.393 1.00 0.00 O ATOM 554 CB SER A 40 -13.696 -4.780 4.207 1.00 0.00 C ATOM 555 OG SER A 40 -13.055 -5.905 4.785 1.00 0.00 O ATOM 0 H SER A 40 -11.869 -4.492 2.095 1.00 0.00 H new ATOM 0 HA SER A 40 -14.330 -6.137 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.109 -3.870 4.334 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.672 -4.595 4.656 1.00 0.00 H new ATOM 0 HG SER A 40 -12.926 -5.751 5.744 1.00 0.00 H new ATOM 561 N SER A 41 -14.128 -2.925 2.056 1.00 0.00 N ATOM 562 CA SER A 41 -14.751 -1.721 1.413 1.00 0.00 C ATOM 563 C SER A 41 -13.833 -1.530 0.202 1.00 0.00 C ATOM 564 O SER A 41 -13.612 -2.459 -0.556 1.00 0.00 O ATOM 565 CB SER A 41 -14.666 -0.584 2.477 1.00 0.00 C ATOM 566 OG SER A 41 -14.948 0.642 1.802 1.00 0.00 O ATOM 0 H SER A 41 -13.262 -2.717 2.553 1.00 0.00 H new ATOM 0 HA SER A 41 -15.794 -1.771 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.381 -0.755 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.676 -0.555 2.932 1.00 0.00 H new ATOM 0 HG SER A 41 -14.906 1.384 2.441 1.00 0.00 H new ATOM 572 N GLY A 42 -13.340 -0.336 0.061 1.00 0.00 N ATOM 573 CA GLY A 42 -12.411 0.038 -1.034 1.00 0.00 C ATOM 574 C GLY A 42 -11.162 0.398 -0.237 1.00 0.00 C ATOM 575 O GLY A 42 -10.532 1.400 -0.462 1.00 0.00 O ATOM 0 H GLY A 42 -13.556 0.434 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.236 -0.785 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.782 0.877 -1.623 1.00 0.00 H new ATOM 579 N ASP A 43 -10.796 -0.421 0.710 1.00 0.00 N ATOM 580 CA ASP A 43 -9.581 -0.144 1.552 1.00 0.00 C ATOM 581 C ASP A 43 -8.353 -0.092 0.626 1.00 0.00 C ATOM 582 O ASP A 43 -7.703 0.928 0.555 1.00 0.00 O ATOM 583 CB ASP A 43 -9.504 -1.264 2.588 1.00 0.00 C ATOM 584 CG ASP A 43 -10.894 -1.586 3.104 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.326 -0.902 4.014 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.427 -2.515 2.502 1.00 0.00 O ATOM 0 H ASP A 43 -11.288 -1.283 0.945 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.625 0.811 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.057 -2.153 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.860 -0.963 3.415 1.00 0.00 H new ATOM 591 N ARG A 44 -8.026 -1.156 -0.064 1.00 0.00 N ATOM 592 CA ARG A 44 -6.849 -1.088 -0.972 1.00 0.00 C ATOM 593 C ARG A 44 -6.955 0.201 -1.850 1.00 0.00 C ATOM 594 O ARG A 44 -5.956 0.839 -2.127 1.00 0.00 O ATOM 595 CB ARG A 44 -6.790 -2.290 -1.921 1.00 0.00 C ATOM 596 CG ARG A 44 -7.867 -3.377 -1.900 1.00 0.00 C ATOM 597 CD ARG A 44 -9.303 -2.808 -2.161 1.00 0.00 C ATOM 598 NE ARG A 44 -10.261 -3.961 -2.214 1.00 0.00 N ATOM 599 CZ ARG A 44 -11.376 -3.991 -1.588 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.492 -3.672 -0.362 1.00 0.00 N ATOM 601 NH2 ARG A 44 -12.369 -4.355 -2.275 1.00 0.00 N ATOM 0 H ARG A 44 -8.515 -2.051 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.954 -1.082 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.761 -1.892 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.835 -2.786 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.635 -4.128 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.850 -3.881 -0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.587 -2.114 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.327 -2.251 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.008 -4.769 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.672 -3.375 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.405 -3.713 0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.247 -4.600 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.294 -4.405 -1.848 1.00 0.00 H new ATOM 615 N GLN A 45 -8.163 0.529 -2.272 1.00 0.00 N ATOM 616 CA GLN A 45 -8.393 1.760 -3.117 1.00 0.00 C ATOM 617 C GLN A 45 -7.882 2.932 -2.244 1.00 0.00 C ATOM 618 O GLN A 45 -7.081 3.761 -2.624 1.00 0.00 O ATOM 619 CB GLN A 45 -9.930 1.925 -3.433 1.00 0.00 C ATOM 620 CG GLN A 45 -10.499 0.578 -3.925 1.00 0.00 C ATOM 621 CD GLN A 45 -11.952 0.677 -4.381 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.831 1.249 -3.773 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.234 0.095 -5.492 1.00 0.00 N ATOM 0 H GLN A 45 -9.006 -0.007 -2.066 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.881 1.711 -4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.463 2.253 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.076 2.693 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.889 0.212 -4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.425 -0.157 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.504 -0.390 -6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.188 0.118 -5.852 1.00 0.00 H new ATOM 632 N THR A 46 -8.400 2.964 -1.047 1.00 0.00 N ATOM 633 CA THR A 46 -8.032 4.000 -0.033 1.00 0.00 C ATOM 634 C THR A 46 -6.493 4.101 -0.111 1.00 0.00 C ATOM 635 O THR A 46 -5.957 5.162 -0.344 1.00 0.00 O ATOM 636 CB THR A 46 -8.518 3.526 1.376 1.00 0.00 C ATOM 637 OG1 THR A 46 -9.943 3.462 1.314 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.200 4.592 2.369 1.00 0.00 C ATOM 0 H THR A 46 -9.090 2.289 -0.716 1.00 0.00 H new ATOM 0 HA THR A 46 -8.491 4.972 -0.213 1.00 0.00 H new ATOM 0 HB THR A 46 -8.056 2.577 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.213 2.663 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.532 4.278 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.124 4.765 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.711 5.513 2.090 1.00 0.00 H new ATOM 646 N VAL A 47 -5.858 2.964 0.067 1.00 0.00 N ATOM 647 CA VAL A 47 -4.347 2.896 0.011 1.00 0.00 C ATOM 648 C VAL A 47 -3.847 3.605 -1.263 1.00 0.00 C ATOM 649 O VAL A 47 -3.028 4.488 -1.190 1.00 0.00 O ATOM 650 CB VAL A 47 -3.821 1.416 -0.026 1.00 0.00 C ATOM 651 CG1 VAL A 47 -2.843 1.091 -1.202 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.162 1.130 1.281 1.00 0.00 C ATOM 0 H VAL A 47 -6.318 2.072 0.250 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.971 3.380 0.912 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.686 0.776 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.536 0.047 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.346 1.267 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.964 1.732 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.787 0.107 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.332 1.821 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.885 1.253 2.088 1.00 0.00 H new ATOM 662 N CYS A 48 -4.342 3.171 -2.398 1.00 0.00 N ATOM 663 CA CYS A 48 -3.982 3.743 -3.738 1.00 0.00 C ATOM 664 C CYS A 48 -4.005 5.269 -3.649 1.00 0.00 C ATOM 665 O CYS A 48 -3.095 5.974 -4.050 1.00 0.00 O ATOM 666 CB CYS A 48 -4.998 3.217 -4.727 1.00 0.00 C ATOM 667 SG CYS A 48 -5.524 4.383 -5.996 1.00 0.00 S ATOM 0 H CYS A 48 -5.014 2.406 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.982 3.452 -4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.580 2.338 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.878 2.886 -4.175 1.00 0.00 H new ATOM 672 N ASN A 49 -5.109 5.711 -3.105 1.00 0.00 N ATOM 673 CA ASN A 49 -5.323 7.162 -2.910 1.00 0.00 C ATOM 674 C ASN A 49 -4.229 7.679 -1.999 1.00 0.00 C ATOM 675 O ASN A 49 -3.714 8.745 -2.266 1.00 0.00 O ATOM 676 CB ASN A 49 -6.700 7.440 -2.263 1.00 0.00 C ATOM 677 CG ASN A 49 -7.790 7.069 -3.231 1.00 0.00 C ATOM 678 OD1 ASN A 49 -7.987 7.736 -4.226 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.522 6.028 -3.002 1.00 0.00 N ATOM 0 H ASN A 49 -5.875 5.117 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.297 7.663 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.805 6.865 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.781 8.493 -1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.261 5.770 -3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.360 5.464 -2.167 1.00 0.00 H new ATOM 686 N CYS A 50 -3.891 6.918 -0.989 1.00 0.00 N ATOM 687 CA CYS A 50 -2.836 7.352 -0.049 1.00 0.00 C ATOM 688 C CYS A 50 -1.605 7.491 -0.955 1.00 0.00 C ATOM 689 O CYS A 50 -0.983 8.517 -0.930 1.00 0.00 O ATOM 690 CB CYS A 50 -2.669 6.264 1.090 1.00 0.00 C ATOM 691 SG CYS A 50 -4.132 5.446 1.799 1.00 0.00 S ATOM 0 H CYS A 50 -4.308 6.011 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.039 8.283 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.021 5.481 0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.133 6.738 1.913 1.00 0.00 H new ATOM 696 N LEU A 51 -1.258 6.490 -1.729 1.00 0.00 N ATOM 697 CA LEU A 51 -0.066 6.565 -2.670 1.00 0.00 C ATOM 698 C LEU A 51 0.014 7.950 -3.305 1.00 0.00 C ATOM 699 O LEU A 51 0.968 8.675 -3.139 1.00 0.00 O ATOM 700 CB LEU A 51 -0.136 5.594 -3.874 1.00 0.00 C ATOM 701 CG LEU A 51 -0.371 4.181 -3.442 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.139 3.234 -4.620 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.565 3.800 -2.367 1.00 0.00 C ATOM 0 H LEU A 51 -1.755 5.600 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 51 0.786 6.311 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.936 5.906 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.794 5.650 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.397 4.108 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.311 2.206 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.827 3.483 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.887 3.337 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.376 2.769 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.590 3.891 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.422 4.458 -1.510 1.00 0.00 H new ATOM 715 N LYS A 52 -1.037 8.270 -3.999 1.00 0.00 N ATOM 716 CA LYS A 52 -1.156 9.554 -4.696 1.00 0.00 C ATOM 717 C LYS A 52 -0.780 10.722 -3.720 1.00 0.00 C ATOM 718 O LYS A 52 -0.090 11.659 -4.090 1.00 0.00 O ATOM 719 CB LYS A 52 -2.602 9.368 -5.223 1.00 0.00 C ATOM 720 CG LYS A 52 -3.455 10.552 -5.048 1.00 0.00 C ATOM 721 CD LYS A 52 -4.695 10.427 -6.016 1.00 0.00 C ATOM 722 CE LYS A 52 -5.476 9.157 -5.706 1.00 0.00 C ATOM 723 NZ LYS A 52 -6.545 8.910 -6.709 1.00 0.00 N ATOM 0 H LYS A 52 -1.847 7.660 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.493 9.826 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.563 9.114 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.060 8.523 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.789 10.628 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.893 11.459 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.342 11.297 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.357 10.411 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.794 8.307 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.919 9.236 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.066 8.046 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.200 9.718 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.118 8.793 -7.650 1.00 0.00 H new ATOM 737 N GLY A 53 -1.205 10.655 -2.482 1.00 0.00 N ATOM 738 CA GLY A 53 -0.867 11.752 -1.496 1.00 0.00 C ATOM 739 C GLY A 53 0.545 11.563 -0.944 1.00 0.00 C ATOM 740 O GLY A 53 1.330 12.487 -0.974 1.00 0.00 O ATOM 0 H GLY A 53 -1.770 9.895 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.945 12.724 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.587 11.747 -0.678 1.00 0.00 H new ATOM 744 N ILE A 54 0.892 10.413 -0.441 1.00 0.00 N ATOM 745 CA ILE A 54 2.280 10.198 0.098 1.00 0.00 C ATOM 746 C ILE A 54 3.212 10.701 -0.988 1.00 0.00 C ATOM 747 O ILE A 54 4.159 11.409 -0.733 1.00 0.00 O ATOM 748 CB ILE A 54 2.486 8.702 0.377 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.866 8.374 0.914 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.252 7.807 -0.809 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.231 9.227 2.142 1.00 0.00 C ATOM 0 H ILE A 54 0.276 9.602 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 54 2.463 10.723 1.036 1.00 0.00 H new ATOM 0 HB ILE A 54 1.726 8.502 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.908 7.318 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.606 8.534 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.420 6.769 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.226 7.925 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.940 8.077 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.228 8.956 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.217 10.282 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.508 9.048 2.937 1.00 0.00 H new ATOM 763 N ALA A 55 2.877 10.291 -2.183 1.00 0.00 N ATOM 764 CA ALA A 55 3.624 10.670 -3.437 1.00 0.00 C ATOM 765 C ALA A 55 3.726 12.188 -3.285 1.00 0.00 C ATOM 766 O ALA A 55 4.829 12.699 -3.275 1.00 0.00 O ATOM 767 CB ALA A 55 2.808 10.276 -4.690 1.00 0.00 C ATOM 0 H ALA A 55 2.079 9.680 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 55 4.589 10.179 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.360 10.556 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.638 9.199 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.849 10.795 -4.678 1.00 0.00 H new ATOM 773 N ARG A 56 2.590 12.859 -3.154 1.00 0.00 N ATOM 774 CA ARG A 56 2.631 14.360 -2.979 1.00 0.00 C ATOM 775 C ARG A 56 3.744 14.758 -1.963 1.00 0.00 C ATOM 776 O ARG A 56 4.370 15.791 -2.104 1.00 0.00 O ATOM 777 CB ARG A 56 1.192 14.882 -2.515 1.00 0.00 C ATOM 778 CG ARG A 56 1.206 15.960 -1.358 1.00 0.00 C ATOM 779 CD ARG A 56 1.238 15.267 0.037 1.00 0.00 C ATOM 780 NE ARG A 56 1.404 16.338 1.099 1.00 0.00 N ATOM 781 CZ ARG A 56 2.363 16.307 1.949 1.00 0.00 C ATOM 782 NH1 ARG A 56 3.567 16.460 1.605 1.00 0.00 N ATOM 783 NH2 ARG A 56 2.078 16.126 3.147 1.00 0.00 N ATOM 0 H ARG A 56 1.659 12.443 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 56 2.876 14.833 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.682 15.307 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.602 14.027 -2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.075 16.608 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.323 16.595 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.318 14.707 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.060 14.552 0.087 1.00 0.00 H new ATOM 0 HE ARG A 56 0.733 17.105 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.802 16.614 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.306 16.430 2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.104 16.008 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.818 16.096 3.848 1.00 0.00 H new ATOM 797 N GLY A 57 3.931 13.925 -0.971 1.00 0.00 N ATOM 798 CA GLY A 57 4.978 14.169 0.089 1.00 0.00 C ATOM 799 C GLY A 57 6.177 13.196 0.123 1.00 0.00 C ATOM 800 O GLY A 57 6.731 13.005 1.185 1.00 0.00 O ATOM 0 H GLY A 57 3.395 13.067 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.365 15.180 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.489 14.139 1.063 1.00 0.00 H new ATOM 804 N ILE A 58 6.554 12.622 -0.997 1.00 0.00 N ATOM 805 CA ILE A 58 7.713 11.666 -1.057 1.00 0.00 C ATOM 806 C ILE A 58 9.077 12.283 -1.380 1.00 0.00 C ATOM 807 O ILE A 58 9.261 13.462 -1.573 1.00 0.00 O ATOM 808 CB ILE A 58 7.332 10.544 -2.112 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.342 9.606 -1.389 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.527 9.740 -2.766 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.596 8.143 -1.674 1.00 0.00 C ATOM 0 H ILE A 58 6.096 12.779 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 58 7.858 11.268 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 58 6.903 11.039 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.407 9.777 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.325 9.858 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.131 9.005 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.183 10.430 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.092 9.229 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.867 7.536 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.503 7.959 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.601 7.878 -1.346 1.00 0.00 H new ATOM 823 N HIS A 59 10.005 11.384 -1.407 1.00 0.00 N ATOM 824 CA HIS A 59 11.450 11.615 -1.681 1.00 0.00 C ATOM 825 C HIS A 59 11.902 11.279 -3.145 1.00 0.00 C ATOM 826 O HIS A 59 11.953 12.151 -3.989 1.00 0.00 O ATOM 827 CB HIS A 59 12.094 10.754 -0.611 1.00 0.00 C ATOM 828 CG HIS A 59 11.668 11.180 0.801 1.00 0.00 C ATOM 829 ND1 HIS A 59 11.977 10.526 1.863 1.00 0.00 N ATOM 830 CD2 HIS A 59 10.923 12.244 1.274 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.483 11.108 2.913 1.00 0.00 C ATOM 832 NE2 HIS A 59 10.818 12.185 2.586 1.00 0.00 N ATOM 0 H HIS A 59 9.799 10.400 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 59 11.739 12.665 -1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.823 9.711 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.179 10.818 -0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 59 10.488 13.015 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.605 10.749 3.924 1.00 0.00 H new ATOM 0 HE2 HIS A 59 10.329 12.832 3.205 1.00 0.00 H new ATOM 840 N ASN A 60 12.222 10.025 -3.394 1.00 0.00 N ATOM 841 CA ASN A 60 12.668 9.586 -4.764 1.00 0.00 C ATOM 842 C ASN A 60 11.829 8.366 -5.247 1.00 0.00 C ATOM 843 O ASN A 60 12.347 7.283 -5.435 1.00 0.00 O ATOM 844 CB ASN A 60 14.172 9.268 -4.623 1.00 0.00 C ATOM 845 CG ASN A 60 14.827 9.053 -5.974 1.00 0.00 C ATOM 846 OD1 ASN A 60 15.042 9.960 -6.744 1.00 0.00 O ATOM 847 ND2 ASN A 60 15.174 7.862 -6.335 1.00 0.00 N ATOM 0 H ASN A 60 12.193 9.279 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 60 12.515 10.353 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.670 10.086 -4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.300 8.376 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.613 7.712 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.009 7.072 -5.712 1.00 0.00 H new ATOM 854 N LEU A 61 10.548 8.593 -5.425 1.00 0.00 N ATOM 855 CA LEU A 61 9.626 7.492 -5.887 1.00 0.00 C ATOM 856 C LEU A 61 10.102 6.685 -7.118 1.00 0.00 C ATOM 857 O LEU A 61 9.857 7.007 -8.265 1.00 0.00 O ATOM 858 CB LEU A 61 8.217 8.102 -6.175 1.00 0.00 C ATOM 859 CG LEU A 61 7.233 7.027 -6.721 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.287 5.738 -5.867 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.802 7.591 -6.617 1.00 0.00 C ATOM 0 H LEU A 61 10.096 9.494 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 61 9.606 6.768 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.813 8.536 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.311 8.912 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 61 7.509 6.790 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.590 5.004 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.297 5.329 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.012 5.971 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.092 6.855 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.574 7.814 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.727 8.504 -7.208 1.00 0.00 H new ATOM 873 N ASN A 62 10.784 5.629 -6.819 1.00 0.00 N ATOM 874 CA ASN A 62 11.336 4.713 -7.837 1.00 0.00 C ATOM 875 C ASN A 62 10.196 3.770 -8.272 1.00 0.00 C ATOM 876 O ASN A 62 10.249 2.585 -8.018 1.00 0.00 O ATOM 877 CB ASN A 62 12.487 4.016 -7.118 1.00 0.00 C ATOM 878 CG ASN A 62 13.352 3.244 -8.093 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.927 2.828 -9.152 1.00 0.00 O ATOM 880 ND2 ASN A 62 14.589 3.008 -7.794 1.00 0.00 N ATOM 0 H ASN A 62 10.991 5.350 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 62 11.709 5.178 -8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.094 4.755 -6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.090 3.337 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.179 2.485 -8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.974 3.345 -6.911 1.00 0.00 H new ATOM 887 N LEU A 63 9.176 4.308 -8.892 1.00 0.00 N ATOM 888 CA LEU A 63 8.014 3.459 -9.357 1.00 0.00 C ATOM 889 C LEU A 63 8.417 2.029 -9.805 1.00 0.00 C ATOM 890 O LEU A 63 7.830 1.056 -9.376 1.00 0.00 O ATOM 891 CB LEU A 63 7.303 4.235 -10.517 1.00 0.00 C ATOM 892 CG LEU A 63 6.063 3.509 -11.171 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.480 2.360 -12.124 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.111 2.926 -10.102 1.00 0.00 C ATOM 0 H LEU A 63 9.089 5.303 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 63 7.343 3.301 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.974 5.201 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.037 4.435 -11.298 1.00 0.00 H new ATOM 0 HG LEU A 63 5.550 4.280 -11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.589 1.896 -12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.096 2.761 -12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.049 1.615 -11.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.271 2.435 -10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.650 2.201 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.741 3.731 -9.467 1.00 0.00 H new ATOM 906 N ASN A 64 9.411 1.930 -10.661 1.00 0.00 N ATOM 907 CA ASN A 64 9.892 0.586 -11.170 1.00 0.00 C ATOM 908 C ASN A 64 10.043 -0.410 -10.016 1.00 0.00 C ATOM 909 O ASN A 64 9.614 -1.541 -10.067 1.00 0.00 O ATOM 910 CB ASN A 64 11.271 0.713 -11.850 1.00 0.00 C ATOM 911 CG ASN A 64 11.351 2.044 -12.529 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.942 2.242 -13.650 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.880 3.010 -11.852 1.00 0.00 N ATOM 0 H ASN A 64 9.920 2.730 -11.037 1.00 0.00 H new ATOM 0 HA ASN A 64 9.148 0.234 -11.885 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.067 0.617 -11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.410 -0.090 -12.574 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.953 3.941 -12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.224 2.841 -10.907 1.00 0.00 H new ATOM 920 N ASN A 65 10.677 0.066 -8.979 1.00 0.00 N ATOM 921 CA ASN A 65 10.903 -0.792 -7.786 1.00 0.00 C ATOM 922 C ASN A 65 9.528 -1.117 -7.170 1.00 0.00 C ATOM 923 O ASN A 65 9.260 -2.267 -6.884 1.00 0.00 O ATOM 924 CB ASN A 65 11.897 0.031 -6.856 1.00 0.00 C ATOM 925 CG ASN A 65 11.379 0.395 -5.478 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.235 0.292 -5.125 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.140 0.855 -4.567 1.00 0.00 N ATOM 0 H ASN A 65 11.048 1.014 -8.908 1.00 0.00 H new ATOM 0 HA ASN A 65 11.362 -1.760 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.812 -0.549 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.168 0.951 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.755 1.092 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.135 0.986 -4.751 1.00 0.00 H new ATOM 934 N ALA A 66 8.701 -0.121 -6.998 1.00 0.00 N ATOM 935 CA ALA A 66 7.350 -0.378 -6.401 1.00 0.00 C ATOM 936 C ALA A 66 6.654 -1.504 -7.213 1.00 0.00 C ATOM 937 O ALA A 66 6.108 -2.460 -6.693 1.00 0.00 O ATOM 938 CB ALA A 66 6.529 0.916 -6.470 1.00 0.00 C ATOM 0 H ALA A 66 8.895 0.851 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 66 7.439 -0.690 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.543 0.745 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.038 1.700 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.422 1.224 -7.510 1.00 0.00 H new ATOM 944 N ALA A 67 6.721 -1.318 -8.511 1.00 0.00 N ATOM 945 CA ALA A 67 6.129 -2.270 -9.506 1.00 0.00 C ATOM 946 C ALA A 67 6.782 -3.651 -9.417 1.00 0.00 C ATOM 947 O ALA A 67 6.274 -4.629 -9.922 1.00 0.00 O ATOM 948 CB ALA A 67 6.318 -1.668 -10.910 1.00 0.00 C ATOM 0 H ALA A 67 7.180 -0.513 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 67 5.069 -2.409 -9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.895 -2.342 -11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.812 -0.704 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.381 -1.531 -11.107 1.00 0.00 H new ATOM 954 N SER A 68 7.906 -3.711 -8.774 1.00 0.00 N ATOM 955 CA SER A 68 8.631 -4.970 -8.609 1.00 0.00 C ATOM 956 C SER A 68 8.191 -5.571 -7.256 1.00 0.00 C ATOM 957 O SER A 68 8.508 -6.719 -6.992 1.00 0.00 O ATOM 958 CB SER A 68 10.112 -4.592 -8.680 1.00 0.00 C ATOM 959 OG SER A 68 10.329 -4.160 -10.027 1.00 0.00 O ATOM 0 H SER A 68 8.360 -2.905 -8.345 1.00 0.00 H new ATOM 0 HA SER A 68 8.433 -5.729 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.350 -3.800 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.747 -5.443 -8.433 1.00 0.00 H new ATOM 0 HG SER A 68 9.997 -3.244 -10.134 1.00 0.00 H new ATOM 965 N ILE A 69 7.452 -4.839 -6.433 1.00 0.00 N ATOM 966 CA ILE A 69 7.062 -5.477 -5.130 1.00 0.00 C ATOM 967 C ILE A 69 6.036 -6.579 -5.344 1.00 0.00 C ATOM 968 O ILE A 69 6.324 -7.676 -4.917 1.00 0.00 O ATOM 969 CB ILE A 69 6.490 -4.386 -4.111 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.613 -3.697 -3.295 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.491 -4.991 -3.070 1.00 0.00 C ATOM 972 CD1 ILE A 69 8.621 -4.740 -2.767 1.00 0.00 C ATOM 0 H ILE A 69 7.123 -3.888 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 69 7.960 -5.921 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 69 5.978 -3.666 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.129 -2.969 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.178 -3.148 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.136 -4.203 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.643 -5.433 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.996 -5.759 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.401 -4.236 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.104 -5.452 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.070 -5.270 -3.607 1.00 0.00 H new ATOM 984 N PRO A 70 4.904 -6.341 -5.974 1.00 0.00 N ATOM 985 CA PRO A 70 3.849 -7.381 -6.129 1.00 0.00 C ATOM 986 C PRO A 70 4.428 -8.772 -6.352 1.00 0.00 C ATOM 987 O PRO A 70 3.975 -9.758 -5.796 1.00 0.00 O ATOM 988 CB PRO A 70 3.011 -6.838 -7.285 1.00 0.00 C ATOM 989 CG PRO A 70 3.025 -5.316 -6.981 1.00 0.00 C ATOM 990 CD PRO A 70 4.514 -5.058 -6.634 1.00 0.00 C ATOM 0 HA PRO A 70 3.245 -7.538 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.451 -7.068 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.001 -7.247 -7.288 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.700 -4.728 -7.839 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.365 -5.061 -6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.112 -4.858 -7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.636 -4.203 -5.969 1.00 0.00 H new ATOM 998 N SER A 71 5.443 -8.746 -7.167 1.00 0.00 N ATOM 999 CA SER A 71 6.167 -9.992 -7.532 1.00 0.00 C ATOM 1000 C SER A 71 7.190 -10.364 -6.445 1.00 0.00 C ATOM 1001 O SER A 71 7.078 -11.411 -5.839 1.00 0.00 O ATOM 1002 CB SER A 71 6.847 -9.743 -8.875 1.00 0.00 C ATOM 1003 OG SER A 71 7.614 -10.924 -9.042 1.00 0.00 O ATOM 0 H SER A 71 5.807 -7.899 -7.603 1.00 0.00 H new ATOM 0 HA SER A 71 5.477 -10.832 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.124 -9.609 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.472 -8.850 -8.856 1.00 0.00 H new ATOM 0 HG SER A 71 8.104 -10.879 -9.889 1.00 0.00 H new ATOM 1009 N LYS A 72 8.160 -9.521 -6.178 1.00 0.00 N ATOM 1010 CA LYS A 72 9.199 -9.821 -5.130 1.00 0.00 C ATOM 1011 C LYS A 72 8.562 -10.291 -3.797 1.00 0.00 C ATOM 1012 O LYS A 72 9.149 -10.994 -2.990 1.00 0.00 O ATOM 1013 CB LYS A 72 9.997 -8.534 -4.976 1.00 0.00 C ATOM 1014 CG LYS A 72 11.254 -8.777 -4.110 1.00 0.00 C ATOM 1015 CD LYS A 72 11.233 -7.807 -2.911 1.00 0.00 C ATOM 1016 CE LYS A 72 10.180 -8.170 -1.863 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.453 -9.534 -1.309 1.00 0.00 N ATOM 0 H LYS A 72 8.281 -8.623 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 72 9.843 -10.649 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.291 -8.162 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.375 -7.766 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.276 -9.809 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.155 -8.623 -4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.216 -7.798 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.044 -6.796 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.188 -7.434 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.186 -8.143 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.784 -9.736 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.340 -10.243 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.425 -9.571 -0.941 1.00 0.00 H new ATOM 1031 N CYS A 73 7.358 -9.819 -3.638 1.00 0.00 N ATOM 1032 CA CYS A 73 6.495 -10.109 -2.459 1.00 0.00 C ATOM 1033 C CYS A 73 5.321 -11.087 -2.654 1.00 0.00 C ATOM 1034 O CYS A 73 4.485 -11.153 -1.779 1.00 0.00 O ATOM 1035 CB CYS A 73 5.977 -8.761 -1.966 1.00 0.00 C ATOM 1036 SG CYS A 73 7.241 -7.777 -1.125 1.00 0.00 S ATOM 0 H CYS A 73 6.912 -9.207 -4.321 1.00 0.00 H new ATOM 0 HA CYS A 73 7.122 -10.641 -1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.590 -8.196 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.142 -8.927 -1.285 1.00 0.00 H new ATOM 1041 N ASN A 74 5.268 -11.811 -3.741 1.00 0.00 N ATOM 1042 CA ASN A 74 4.166 -12.805 -4.028 1.00 0.00 C ATOM 1043 C ASN A 74 2.790 -12.455 -3.381 1.00 0.00 C ATOM 1044 O ASN A 74 2.263 -13.139 -2.527 1.00 0.00 O ATOM 1045 CB ASN A 74 4.675 -14.198 -3.532 1.00 0.00 C ATOM 1046 CG ASN A 74 3.783 -15.363 -3.967 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.738 -16.401 -3.349 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.047 -15.280 -5.029 1.00 0.00 N ATOM 0 H ASN A 74 5.970 -11.758 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 74 3.965 -12.795 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.684 -14.363 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.739 -14.186 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.465 -16.069 -5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.049 -14.425 -5.586 1.00 0.00 H new ATOM 1055 N VAL A 75 2.261 -11.360 -3.842 1.00 0.00 N ATOM 1056 CA VAL A 75 0.932 -10.798 -3.386 1.00 0.00 C ATOM 1057 C VAL A 75 0.090 -10.765 -4.691 1.00 0.00 C ATOM 1058 O VAL A 75 0.460 -10.092 -5.633 1.00 0.00 O ATOM 1059 CB VAL A 75 1.244 -9.344 -2.701 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.468 -8.793 -3.367 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.213 -8.219 -2.898 1.00 0.00 C ATOM 0 H VAL A 75 2.713 -10.791 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 75 0.382 -11.360 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 75 1.291 -9.571 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.710 -7.821 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.304 -9.476 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.282 -8.681 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.555 -7.318 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.099 -8.013 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.746 -8.528 -2.483 1.00 0.00 H new ATOM 1071 N ASN A 76 -1.004 -11.500 -4.709 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.958 -11.612 -5.889 1.00 0.00 C ATOM 1073 C ASN A 76 -2.543 -10.285 -6.514 1.00 0.00 C ATOM 1074 O ASN A 76 -3.741 -10.089 -6.619 1.00 0.00 O ATOM 1075 CB ASN A 76 -3.158 -12.598 -5.439 1.00 0.00 C ATOM 1076 CG ASN A 76 -3.061 -13.194 -4.014 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -2.768 -12.561 -3.028 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -3.304 -14.443 -3.809 1.00 0.00 N ATOM 0 H ASN A 76 -1.296 -12.062 -3.909 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.351 -11.992 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.097 -12.051 -5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.209 -13.422 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.242 -14.827 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.559 -15.048 -4.590 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.658 -9.413 -6.925 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.033 -8.095 -7.541 1.00 0.00 C ATOM 1087 C VAL A 77 -1.130 -7.820 -8.768 1.00 0.00 C ATOM 1088 O VAL A 77 0.063 -8.049 -8.725 1.00 0.00 O ATOM 1089 CB VAL A 77 -1.850 -6.951 -6.478 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.279 -7.415 -5.093 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -0.383 -6.492 -6.338 1.00 0.00 C ATOM 0 H VAL A 77 -0.651 -9.564 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.074 -8.126 -7.863 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.467 -6.129 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.141 -6.603 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.330 -7.704 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.674 -8.270 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.319 -5.701 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.234 -7.335 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.027 -6.115 -7.297 1.00 0.00 H new ATOM 1101 N PRO A 78 -1.716 -7.345 -9.836 1.00 0.00 N ATOM 1102 CA PRO A 78 -1.357 -6.042 -10.471 1.00 0.00 C ATOM 1103 C PRO A 78 -1.654 -4.817 -9.570 1.00 0.00 C ATOM 1104 O PRO A 78 -0.787 -4.007 -9.306 1.00 0.00 O ATOM 1105 CB PRO A 78 -2.161 -6.071 -11.796 1.00 0.00 C ATOM 1106 CG PRO A 78 -2.456 -7.590 -12.006 1.00 0.00 C ATOM 1107 CD PRO A 78 -2.776 -8.071 -10.581 1.00 0.00 C ATOM 0 HA PRO A 78 -0.286 -5.929 -10.642 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.080 -5.490 -11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.587 -5.655 -12.624 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.293 -7.750 -12.685 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.599 -8.115 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.780 -7.793 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.696 -9.153 -10.476 1.00 0.00 H new ATOM 1115 N TYR A 79 -2.882 -4.685 -9.135 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.364 -3.562 -8.242 1.00 0.00 C ATOM 1117 C TYR A 79 -3.608 -2.313 -9.098 1.00 0.00 C ATOM 1118 O TYR A 79 -4.697 -1.800 -9.140 1.00 0.00 O ATOM 1119 CB TYR A 79 -2.275 -3.324 -7.140 1.00 0.00 C ATOM 1120 CG TYR A 79 -2.702 -2.746 -5.805 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -3.962 -2.954 -5.342 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.804 -2.023 -5.026 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.338 -2.468 -4.157 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.180 -1.522 -3.788 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.470 -1.753 -3.357 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.877 -1.292 -2.133 1.00 0.00 O ATOM 0 H TYR A 79 -3.620 -5.348 -9.374 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.305 -3.809 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -1.788 -4.279 -6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.519 -2.661 -7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.665 -3.517 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.802 -1.850 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.348 -2.639 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.482 -0.967 -3.179 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.534 -0.575 -2.255 1.00 0.00 H new ATOM 1136 N THR A 80 -2.571 -1.903 -9.763 1.00 0.00 N ATOM 1137 CA THR A 80 -2.502 -0.704 -10.681 1.00 0.00 C ATOM 1138 C THR A 80 -1.116 -0.081 -10.580 1.00 0.00 C ATOM 1139 O THR A 80 -0.504 0.257 -11.568 1.00 0.00 O ATOM 1140 CB THR A 80 -3.471 0.439 -10.324 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.754 0.117 -10.830 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.186 1.655 -11.176 1.00 0.00 C ATOM 0 H THR A 80 -1.678 -2.393 -9.707 1.00 0.00 H new ATOM 0 HA THR A 80 -2.758 -1.094 -11.666 1.00 0.00 H new ATOM 0 HB THR A 80 -3.389 0.593 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.115 -0.652 -10.342 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.879 2.454 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.163 1.989 -11.002 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.311 1.399 -12.228 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.665 0.056 -9.364 1.00 0.00 N ATOM 1151 CA ILE A 81 0.689 0.654 -9.066 1.00 0.00 C ATOM 1152 C ILE A 81 1.157 1.729 -10.081 1.00 0.00 C ATOM 1153 O ILE A 81 2.161 1.661 -10.757 1.00 0.00 O ATOM 1154 CB ILE A 81 1.575 -0.640 -8.944 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.439 -1.114 -7.477 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.076 -0.409 -9.282 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.371 -0.279 -6.548 1.00 0.00 C ATOM 0 H ILE A 81 -1.186 -0.227 -8.534 1.00 0.00 H new ATOM 0 HA ILE A 81 0.726 1.266 -8.165 1.00 0.00 H new ATOM 0 HB ILE A 81 1.227 -1.377 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.404 -1.013 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.695 -2.171 -7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.621 -1.347 -9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.167 -0.051 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.492 0.333 -8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.264 -0.624 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.406 -0.402 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.096 0.774 -6.608 1.00 0.00 H new ATOM 1169 N SER A 82 0.353 2.748 -10.144 1.00 0.00 N ATOM 1170 CA SER A 82 0.639 3.887 -11.066 1.00 0.00 C ATOM 1171 C SER A 82 0.851 5.158 -10.207 1.00 0.00 C ATOM 1172 O SER A 82 0.443 5.171 -9.061 1.00 0.00 O ATOM 1173 CB SER A 82 -0.561 4.026 -12.014 1.00 0.00 C ATOM 1174 OG SER A 82 -0.709 2.748 -12.650 1.00 0.00 O ATOM 0 H SER A 82 -0.500 2.846 -9.593 1.00 0.00 H new ATOM 0 HA SER A 82 1.537 3.728 -11.662 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.463 4.296 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.389 4.811 -12.750 1.00 0.00 H new ATOM 0 HG SER A 82 -1.467 2.777 -13.270 1.00 0.00 H new ATOM 1180 N PRO A 83 1.475 6.184 -10.747 1.00 0.00 N ATOM 1181 CA PRO A 83 1.802 7.423 -9.966 1.00 0.00 C ATOM 1182 C PRO A 83 0.536 8.191 -9.536 1.00 0.00 C ATOM 1183 O PRO A 83 0.329 8.526 -8.386 1.00 0.00 O ATOM 1184 CB PRO A 83 2.720 8.217 -10.923 1.00 0.00 C ATOM 1185 CG PRO A 83 3.241 7.137 -11.911 1.00 0.00 C ATOM 1186 CD PRO A 83 1.978 6.291 -12.150 1.00 0.00 C ATOM 0 HA PRO A 83 2.294 7.217 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.173 9.004 -11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.538 8.698 -10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.619 7.576 -12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.052 6.548 -11.482 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.266 6.782 -12.813 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.203 5.319 -12.588 1.00 0.00 H new ATOM 1194 N ASP A 84 -0.262 8.420 -10.536 1.00 0.00 N ATOM 1195 CA ASP A 84 -1.559 9.139 -10.456 1.00 0.00 C ATOM 1196 C ASP A 84 -2.613 8.015 -10.437 1.00 0.00 C ATOM 1197 O ASP A 84 -3.469 7.831 -11.278 1.00 0.00 O ATOM 1198 CB ASP A 84 -1.571 10.050 -11.710 1.00 0.00 C ATOM 1199 CG ASP A 84 -1.524 9.262 -13.035 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.658 8.404 -13.174 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -2.372 9.585 -13.847 1.00 0.00 O ATOM 0 H ASP A 84 -0.044 8.109 -11.483 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.744 9.776 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.469 10.667 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.718 10.727 -11.667 1.00 0.00 H new ATOM 1206 N ILE A 85 -2.490 7.256 -9.389 1.00 0.00 N ATOM 1207 CA ILE A 85 -3.421 6.114 -9.214 1.00 0.00 C ATOM 1208 C ILE A 85 -4.798 6.476 -8.589 1.00 0.00 C ATOM 1209 O ILE A 85 -4.992 6.821 -7.439 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.657 5.059 -8.384 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.531 3.785 -8.305 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.243 5.632 -7.014 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.915 2.708 -7.361 1.00 0.00 C ATOM 0 H ILE A 85 -1.793 7.375 -8.654 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.704 5.732 -10.195 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.717 4.784 -8.862 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.527 4.051 -7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.650 3.365 -9.304 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.707 4.870 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.596 6.497 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.133 5.934 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.563 1.832 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.930 2.421 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.821 3.117 -6.355 1.00 0.00 H new ATOM 1225 N ASP A 86 -5.743 6.388 -9.476 1.00 0.00 N ATOM 1226 CA ASP A 86 -7.196 6.654 -9.251 1.00 0.00 C ATOM 1227 C ASP A 86 -7.996 5.367 -9.067 1.00 0.00 C ATOM 1228 O ASP A 86 -8.734 4.914 -9.917 1.00 0.00 O ATOM 1229 CB ASP A 86 -7.650 7.499 -10.460 1.00 0.00 C ATOM 1230 CG ASP A 86 -7.210 8.958 -10.303 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -6.592 9.274 -9.296 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -7.543 9.682 -11.218 1.00 0.00 O ATOM 0 H ASP A 86 -5.546 6.116 -10.439 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.372 7.195 -8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.230 7.085 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.735 7.450 -10.556 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.747 4.831 -7.915 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.326 3.572 -7.339 1.00 0.00 C ATOM 1239 C CYS A 87 -9.637 2.985 -7.928 1.00 0.00 C ATOM 1240 O CYS A 87 -10.603 2.760 -7.233 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.459 3.897 -5.883 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.257 5.088 -5.257 1.00 0.00 S ATOM 0 H CYS A 87 -7.086 5.266 -7.271 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.660 2.747 -7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.461 4.285 -5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.367 2.974 -5.310 1.00 0.00 H new ATOM 1247 N SER A 88 -9.608 2.751 -9.203 1.00 0.00 N ATOM 1248 CA SER A 88 -10.747 2.183 -10.005 1.00 0.00 C ATOM 1249 C SER A 88 -10.598 0.750 -10.528 1.00 0.00 C ATOM 1250 O SER A 88 -11.576 0.055 -10.729 1.00 0.00 O ATOM 1251 CB SER A 88 -10.987 3.173 -11.178 1.00 0.00 C ATOM 1252 OG SER A 88 -10.602 2.467 -12.363 1.00 0.00 O ATOM 0 H SER A 88 -8.783 2.942 -9.771 1.00 0.00 H new ATOM 0 HA SER A 88 -11.593 2.086 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.032 3.478 -11.226 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.396 4.080 -11.053 1.00 0.00 H new ATOM 0 HG SER A 88 -10.733 3.044 -13.144 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.367 0.373 -10.738 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.071 -0.992 -11.257 1.00 0.00 C ATOM 1260 C ARG A 89 -8.205 -1.892 -10.338 1.00 0.00 C ATOM 1261 O ARG A 89 -7.260 -2.542 -10.734 1.00 0.00 O ATOM 1262 CB ARG A 89 -8.452 -0.747 -12.693 1.00 0.00 C ATOM 1263 CG ARG A 89 -7.033 -0.104 -12.743 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.890 1.227 -11.957 1.00 0.00 C ATOM 1265 NE ARG A 89 -7.886 2.254 -12.442 1.00 0.00 N ATOM 1266 CZ ARG A 89 -7.478 3.404 -12.845 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -6.601 3.455 -13.770 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -7.970 4.440 -12.307 1.00 0.00 N ATOM 0 H ARG A 89 -8.547 0.957 -10.571 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.983 -1.588 -11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.411 -1.704 -13.213 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.135 -0.109 -13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.312 -0.820 -12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.768 0.076 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.041 1.043 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.878 1.614 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.882 2.035 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.237 2.593 -14.176 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.264 4.358 -14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.672 4.349 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.664 5.365 -12.608 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.596 -1.885 -9.096 1.00 0.00 N ATOM 1283 CA ILE A 90 -7.951 -2.684 -7.990 1.00 0.00 C ATOM 1284 C ILE A 90 -9.086 -3.668 -7.615 1.00 0.00 C ATOM 1285 O ILE A 90 -10.208 -3.531 -8.065 1.00 0.00 O ATOM 1286 CB ILE A 90 -7.571 -1.787 -6.784 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.240 -1.047 -7.060 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.308 -2.668 -5.569 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.890 -0.030 -5.983 1.00 0.00 C ATOM 0 H ILE A 90 -9.386 -1.325 -8.775 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.018 -3.166 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.387 -1.084 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.434 -1.777 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.305 -0.540 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.040 -2.043 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.206 -3.239 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.489 -3.354 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.947 0.455 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.678 0.720 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.794 -0.536 -5.022 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.793 -4.628 -6.798 1.00 0.00 N ATOM 1302 CA TYR A 91 -9.814 -5.641 -6.377 1.00 0.00 C ATOM 1303 C TYR A 91 -10.009 -5.489 -4.861 1.00 0.00 C ATOM 1304 O TYR A 91 -9.010 -5.313 -4.185 1.00 0.00 O ATOM 1305 CB TYR A 91 -9.250 -7.062 -6.797 1.00 0.00 C ATOM 1306 CG TYR A 91 -8.090 -6.796 -7.783 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.337 -6.534 -9.115 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -6.787 -6.744 -7.325 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.295 -6.218 -9.966 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -5.753 -6.430 -8.177 1.00 0.00 C ATOM 1311 CZ TYR A 91 -6.006 -6.163 -9.497 1.00 0.00 C ATOM 1312 OH TYR A 91 -4.971 -5.825 -10.336 1.00 0.00 O ATOM 1313 OXT TYR A 91 -11.148 -5.550 -4.435 1.00 0.00 O ATOM 0 H TYR A 91 -7.869 -4.765 -6.389 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.788 -5.511 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.900 -7.614 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.027 -7.666 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -9.348 -6.576 -9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.578 -6.952 -6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.496 -6.013 -11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.740 -6.394 -7.805 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.028 -6.358 -11.157 1.00 0.00 H new