USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=21 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= -0.371 K(o=-0.98,f=-6.2!) USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -0.606 F(o=-3.2!,f=-0.98) USER MOD Set 2.1: A 40 SER OG : rot -80:sc= 1.62 USER MOD Set 2.2: A 41 SER OG : rot -79:sc= 1.27 USER MOD Single : A 5 GLN : amide:sc= -1.05! C(o=-1.1!,f=-4.7!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= -0.425! (180deg=-0.479) USER MOD Single : A 10 MET CE :methyl 161:sc= -2.41! (180deg=-4.09!) USER MOD Single : A 11 LYS NZ :NH3+ -126:sc= 0.917 (180deg=-0.243) USER MOD Single : A 15 THR OG1 : rot 112:sc= -1.24! USER MOD Single : A 16 TYR OH : rot 8:sc= 0.806 USER MOD Single : A 18 GLN : amide:sc= -2.03! C(o=-2!,f=-5.3!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 29 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.7!) USER MOD Single : A 35 HIS : no HD1:sc= -3.87 X(o=-3.9,f=-3.6) USER MOD Single : A 36 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.3!) USER MOD Single : A 37 GLN : amide:sc= 0.332 K(o=0.33,f=-0.2) USER MOD Single : A 39 GLN : amide:sc= -1.38 K(o=-1.4,f=-11!) USER MOD Single : A 45 GLN : amide:sc= 0.918 K(o=0.92,f=-3.8!) USER MOD Single : A 46 THR OG1 : rot 59:sc= 1.27 USER MOD Single : A 49 ASN :FLIP amide:sc= -1.75 F(o=-3.7!,f=-1.8) USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= 2.04 (180deg=0.295) USER MOD Single : A 59 HIS : no HE2:sc= 0.693 K(o=0.69,f=-4.3!) USER MOD Single : A 60 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -9.79! C(o=-9.8!,f=-16!) USER MOD Single : A 68 SER OG : rot -14:sc= 0.259! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.645 K(o=0.64,f=-3.1!) USER MOD Single : A 76 ASN : amide:sc= 0.172 K(o=0.17,f=-4.8!) USER MOD Single : A 79 TYR OH : rot -140:sc= -1.01 USER MOD Single : A 80 THR OG1 : rot -106:sc= -3.14! USER MOD Single : A 82 SER OG : rot 83:sc= 1.19 USER MOD Single : A 88 SER OG : rot -14:sc= 0.254! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -6.272 5.632 6.895 1.00 0.00 N ATOM 37 CA CYS A 3 -4.832 5.292 6.636 1.00 0.00 C ATOM 38 C CYS A 3 -3.960 4.975 7.878 1.00 0.00 C ATOM 39 O CYS A 3 -3.182 5.801 8.311 1.00 0.00 O ATOM 40 CB CYS A 3 -4.206 6.479 5.852 1.00 0.00 C ATOM 41 SG CYS A 3 -5.118 7.253 4.491 1.00 0.00 S ATOM 0 HA CYS A 3 -4.840 4.356 6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.980 7.262 6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.254 6.134 5.448 1.00 0.00 H new ATOM 46 N GLY A 4 -4.129 3.791 8.414 1.00 0.00 N ATOM 47 CA GLY A 4 -3.341 3.329 9.623 1.00 0.00 C ATOM 48 C GLY A 4 -2.631 2.017 9.263 1.00 0.00 C ATOM 49 O GLY A 4 -1.420 1.897 9.250 1.00 0.00 O ATOM 0 H GLY A 4 -4.794 3.102 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.614 4.087 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.005 3.180 10.475 1.00 0.00 H new ATOM 53 N GLN A 5 -3.471 1.061 8.962 1.00 0.00 N ATOM 54 CA GLN A 5 -3.007 -0.315 8.573 1.00 0.00 C ATOM 55 C GLN A 5 -1.990 -0.199 7.426 1.00 0.00 C ATOM 56 O GLN A 5 -1.008 -0.910 7.379 1.00 0.00 O ATOM 57 CB GLN A 5 -4.215 -1.186 8.101 1.00 0.00 C ATOM 58 CG GLN A 5 -5.228 -1.500 9.260 1.00 0.00 C ATOM 59 CD GLN A 5 -5.745 -0.235 9.930 1.00 0.00 C ATOM 60 OE1 GLN A 5 -6.105 0.732 9.298 1.00 0.00 O ATOM 61 NE2 GLN A 5 -5.804 -0.166 11.215 1.00 0.00 N ATOM 0 H GLN A 5 -4.485 1.175 8.968 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.546 -0.790 9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.738 -0.668 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.842 -2.123 7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.069 -2.068 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.742 -2.131 10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.509 -0.961 11.782 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.145 0.683 11.665 1.00 0.00 H new ATOM 70 N VAL A 6 -2.280 0.722 6.543 1.00 0.00 N ATOM 71 CA VAL A 6 -1.418 0.987 5.350 1.00 0.00 C ATOM 72 C VAL A 6 0.051 0.955 5.851 1.00 0.00 C ATOM 73 O VAL A 6 0.804 0.015 5.645 1.00 0.00 O ATOM 74 CB VAL A 6 -1.888 2.385 4.772 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.972 2.742 3.650 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.329 2.364 4.189 1.00 0.00 C ATOM 0 H VAL A 6 -3.104 1.320 6.602 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.496 0.257 4.544 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.870 3.096 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.269 3.702 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.050 2.810 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.026 1.975 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.583 3.354 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.382 1.641 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.034 2.082 4.971 1.00 0.00 H new ATOM 86 N ASP A 7 0.410 2.021 6.519 1.00 0.00 N ATOM 87 CA ASP A 7 1.777 2.197 7.106 1.00 0.00 C ATOM 88 C ASP A 7 2.224 0.950 7.874 1.00 0.00 C ATOM 89 O ASP A 7 3.238 0.332 7.597 1.00 0.00 O ATOM 90 CB ASP A 7 1.715 3.415 8.052 1.00 0.00 C ATOM 91 CG ASP A 7 2.964 3.550 8.979 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.213 2.639 9.753 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.632 4.562 8.889 1.00 0.00 O ATOM 0 H ASP A 7 -0.214 2.810 6.689 1.00 0.00 H new ATOM 0 HA ASP A 7 2.505 2.354 6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.615 4.322 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.820 3.339 8.670 1.00 0.00 H new ATOM 98 N SER A 8 1.361 0.666 8.814 1.00 0.00 N ATOM 99 CA SER A 8 1.511 -0.468 9.758 1.00 0.00 C ATOM 100 C SER A 8 2.085 -1.721 9.163 1.00 0.00 C ATOM 101 O SER A 8 2.825 -2.416 9.832 1.00 0.00 O ATOM 102 CB SER A 8 0.154 -0.787 10.364 1.00 0.00 C ATOM 103 OG SER A 8 0.409 -1.833 11.298 1.00 0.00 O ATOM 0 H SER A 8 0.512 1.210 8.968 1.00 0.00 H new ATOM 0 HA SER A 8 2.232 -0.138 10.506 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.275 0.086 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.556 -1.103 9.600 1.00 0.00 H new ATOM 0 HG SER A 8 -0.429 -2.093 11.734 1.00 0.00 H new ATOM 109 N LYS A 9 1.698 -1.981 7.949 1.00 0.00 N ATOM 110 CA LYS A 9 2.201 -3.200 7.259 1.00 0.00 C ATOM 111 C LYS A 9 3.137 -2.958 6.058 1.00 0.00 C ATOM 112 O LYS A 9 3.995 -3.778 5.802 1.00 0.00 O ATOM 113 CB LYS A 9 0.973 -4.015 6.785 1.00 0.00 C ATOM 114 CG LYS A 9 -0.259 -3.903 7.747 1.00 0.00 C ATOM 115 CD LYS A 9 0.037 -4.256 9.211 1.00 0.00 C ATOM 116 CE LYS A 9 0.404 -5.743 9.380 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.755 -6.568 8.890 1.00 0.00 N ATOM 0 H LYS A 9 1.057 -1.405 7.404 1.00 0.00 H new ATOM 0 HA LYS A 9 2.816 -3.727 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.681 -3.673 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.257 -5.063 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.645 -2.885 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.049 -4.559 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.856 -3.636 9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.835 -4.025 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.306 -5.979 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.616 -5.967 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.559 -7.576 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.617 -6.294 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.891 -6.405 7.872 1.00 0.00 H new ATOM 131 N MET A 10 2.983 -1.878 5.337 1.00 0.00 N ATOM 132 CA MET A 10 3.852 -1.633 4.171 1.00 0.00 C ATOM 133 C MET A 10 4.809 -0.416 4.277 1.00 0.00 C ATOM 134 O MET A 10 5.297 0.108 3.288 1.00 0.00 O ATOM 135 CB MET A 10 2.809 -1.567 3.071 1.00 0.00 C ATOM 136 CG MET A 10 1.969 -2.861 2.917 1.00 0.00 C ATOM 137 SD MET A 10 0.858 -2.910 1.490 1.00 0.00 S ATOM 138 CE MET A 10 2.175 -2.760 0.275 1.00 0.00 C ATOM 0 H MET A 10 2.285 -1.156 5.515 1.00 0.00 H new ATOM 0 HA MET A 10 4.614 -2.397 4.016 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.137 -0.732 3.271 1.00 0.00 H new ATOM 0 HB3 MET A 10 3.307 -1.355 2.125 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.651 -3.709 2.853 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.376 -2.997 3.821 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.813 -3.096 -0.697 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.489 -1.719 0.205 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.022 -3.375 0.579 1.00 0.00 H new ATOM 148 N LYS A 11 5.070 0.068 5.468 1.00 0.00 N ATOM 149 CA LYS A 11 6.010 1.225 5.596 1.00 0.00 C ATOM 150 C LYS A 11 7.297 0.946 4.739 1.00 0.00 C ATOM 151 O LYS A 11 7.594 1.690 3.822 1.00 0.00 O ATOM 152 CB LYS A 11 6.282 1.372 7.115 1.00 0.00 C ATOM 153 CG LYS A 11 7.616 2.119 7.340 1.00 0.00 C ATOM 154 CD LYS A 11 7.331 3.635 7.392 1.00 0.00 C ATOM 155 CE LYS A 11 6.684 3.970 8.736 1.00 0.00 C ATOM 156 NZ LYS A 11 6.296 5.403 8.729 1.00 0.00 N ATOM 0 H LYS A 11 4.680 -0.281 6.343 1.00 0.00 H new ATOM 0 HA LYS A 11 5.608 2.163 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.465 1.917 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.322 0.388 7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.081 1.790 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.316 1.893 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.257 4.197 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.671 3.923 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.809 3.342 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.379 3.770 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.709 5.879 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.647 5.853 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.260 5.482 8.766 1.00 0.00 H new ATOM 170 N PRO A 12 8.020 -0.121 5.047 1.00 0.00 N ATOM 171 CA PRO A 12 9.104 -0.648 4.167 1.00 0.00 C ATOM 172 C PRO A 12 8.765 -0.670 2.659 1.00 0.00 C ATOM 173 O PRO A 12 9.656 -0.585 1.838 1.00 0.00 O ATOM 174 CB PRO A 12 9.416 -2.037 4.775 1.00 0.00 C ATOM 175 CG PRO A 12 8.176 -2.328 5.668 1.00 0.00 C ATOM 176 CD PRO A 12 7.873 -0.979 6.257 1.00 0.00 C ATOM 0 HA PRO A 12 9.976 0.006 4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.541 -2.795 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.337 -2.022 5.358 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.339 -2.714 5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.396 -3.067 6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.871 -0.927 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.571 -0.705 7.048 1.00 0.00 H new ATOM 184 N CYS A 13 7.514 -0.777 2.282 1.00 0.00 N ATOM 185 CA CYS A 13 7.285 -0.784 0.787 1.00 0.00 C ATOM 186 C CYS A 13 7.369 0.656 0.327 1.00 0.00 C ATOM 187 O CYS A 13 7.991 0.976 -0.670 1.00 0.00 O ATOM 188 CB CYS A 13 5.895 -1.341 0.387 1.00 0.00 C ATOM 189 SG CYS A 13 5.850 -3.147 0.371 1.00 0.00 S ATOM 0 H CYS A 13 6.693 -0.855 2.883 1.00 0.00 H new ATOM 0 HA CYS A 13 8.032 -1.430 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.144 -0.969 1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.628 -0.966 -0.601 1.00 0.00 H new ATOM 194 N LEU A 14 6.739 1.504 1.081 1.00 0.00 N ATOM 195 CA LEU A 14 6.793 2.929 0.673 1.00 0.00 C ATOM 196 C LEU A 14 8.255 3.338 0.665 1.00 0.00 C ATOM 197 O LEU A 14 8.732 3.778 -0.360 1.00 0.00 O ATOM 198 CB LEU A 14 6.094 3.819 1.634 1.00 0.00 C ATOM 199 CG LEU A 14 5.932 5.208 1.000 1.00 0.00 C ATOM 200 CD1 LEU A 14 5.021 5.177 -0.252 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.317 6.036 2.079 1.00 0.00 C ATOM 0 H LEU A 14 6.210 1.288 1.926 1.00 0.00 H new ATOM 0 HA LEU A 14 6.310 3.026 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.118 3.405 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.662 3.892 2.561 1.00 0.00 H new ATOM 0 HG LEU A 14 6.886 5.603 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.936 6.182 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.453 4.512 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.031 4.815 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.163 7.052 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.358 5.605 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.980 6.057 2.944 1.00 0.00 H new ATOM 213 N THR A 15 8.915 3.190 1.801 1.00 0.00 N ATOM 214 CA THR A 15 10.385 3.561 1.889 1.00 0.00 C ATOM 215 C THR A 15 10.994 3.067 0.580 1.00 0.00 C ATOM 216 O THR A 15 11.478 3.827 -0.236 1.00 0.00 O ATOM 217 CB THR A 15 11.075 2.864 3.119 1.00 0.00 C ATOM 218 OG1 THR A 15 10.837 1.469 2.974 1.00 0.00 O ATOM 219 CG2 THR A 15 10.346 3.228 4.423 1.00 0.00 C ATOM 0 H THR A 15 8.508 2.832 2.665 1.00 0.00 H new ATOM 0 HA THR A 15 10.523 4.633 2.031 1.00 0.00 H new ATOM 0 HB THR A 15 12.124 3.156 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.682 1.011 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.837 2.737 5.263 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.375 4.308 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.309 2.897 4.365 1.00 0.00 H new ATOM 227 N TYR A 16 10.930 1.785 0.414 1.00 0.00 N ATOM 228 CA TYR A 16 11.454 1.131 -0.808 1.00 0.00 C ATOM 229 C TYR A 16 11.079 1.941 -2.093 1.00 0.00 C ATOM 230 O TYR A 16 11.961 2.243 -2.872 1.00 0.00 O ATOM 231 CB TYR A 16 10.863 -0.272 -0.650 1.00 0.00 C ATOM 232 CG TYR A 16 10.980 -1.254 -1.789 1.00 0.00 C ATOM 233 CD1 TYR A 16 10.155 -1.115 -2.865 1.00 0.00 C ATOM 234 CD2 TYR A 16 11.874 -2.299 -1.745 1.00 0.00 C ATOM 235 CE1 TYR A 16 10.215 -2.014 -3.893 1.00 0.00 C ATOM 236 CE2 TYR A 16 11.928 -3.203 -2.785 1.00 0.00 C ATOM 237 CZ TYR A 16 11.098 -3.065 -3.861 1.00 0.00 C ATOM 238 OH TYR A 16 11.136 -3.978 -4.890 1.00 0.00 O ATOM 0 H TYR A 16 10.524 1.143 1.094 1.00 0.00 H new ATOM 0 HA TYR A 16 12.537 1.084 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.328 -0.727 0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.803 -0.158 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.454 -0.295 -2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.533 -2.411 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.559 -1.896 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 16 12.629 -4.023 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 16 10.570 -3.665 -5.626 1.00 0.00 H new ATOM 248 N VAL A 17 9.843 2.312 -2.320 1.00 0.00 N ATOM 249 CA VAL A 17 9.551 3.079 -3.583 1.00 0.00 C ATOM 250 C VAL A 17 9.956 4.549 -3.512 1.00 0.00 C ATOM 251 O VAL A 17 10.236 5.081 -4.565 1.00 0.00 O ATOM 252 CB VAL A 17 8.041 2.972 -3.943 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.638 1.522 -3.780 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.134 3.861 -3.132 1.00 0.00 C ATOM 0 H VAL A 17 9.045 2.128 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 17 10.160 2.620 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 17 7.921 3.322 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.582 1.408 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.234 0.901 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.807 1.211 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.102 3.718 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.224 3.606 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.419 4.903 -3.279 1.00 0.00 H new ATOM 264 N GLN A 18 9.975 5.199 -2.371 1.00 0.00 N ATOM 265 CA GLN A 18 10.422 6.636 -2.435 1.00 0.00 C ATOM 266 C GLN A 18 11.956 6.578 -2.680 1.00 0.00 C ATOM 267 O GLN A 18 12.537 7.468 -3.262 1.00 0.00 O ATOM 268 CB GLN A 18 10.069 7.373 -1.090 1.00 0.00 C ATOM 269 CG GLN A 18 10.437 6.537 0.145 1.00 0.00 C ATOM 270 CD GLN A 18 10.094 7.214 1.475 1.00 0.00 C ATOM 271 OE1 GLN A 18 10.339 6.698 2.540 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.515 8.369 1.534 1.00 0.00 N ATOM 0 H GLN A 18 9.720 4.832 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 18 9.924 7.196 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.596 8.326 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.003 7.597 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.919 5.579 0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.506 6.323 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.278 8.865 0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.296 8.784 2.440 1.00 0.00 H new ATOM 281 N GLY A 19 12.533 5.498 -2.212 1.00 0.00 N ATOM 282 CA GLY A 19 14.014 5.193 -2.330 1.00 0.00 C ATOM 283 C GLY A 19 14.713 5.012 -0.975 1.00 0.00 C ATOM 284 O GLY A 19 15.770 5.548 -0.710 1.00 0.00 O ATOM 0 H GLY A 19 12.014 4.769 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.144 4.286 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.501 6.001 -2.876 1.00 0.00 H new ATOM 288 N GLY A 20 14.057 4.228 -0.172 1.00 0.00 N ATOM 289 CA GLY A 20 14.514 3.885 1.214 1.00 0.00 C ATOM 290 C GLY A 20 14.537 2.369 1.509 1.00 0.00 C ATOM 291 O GLY A 20 14.224 1.555 0.661 1.00 0.00 O ATOM 0 H GLY A 20 13.175 3.785 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.514 4.290 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.858 4.375 1.934 1.00 0.00 H new ATOM 295 N PRO A 21 14.914 2.043 2.730 1.00 0.00 N ATOM 296 CA PRO A 21 15.117 0.624 3.195 1.00 0.00 C ATOM 297 C PRO A 21 14.155 -0.464 2.643 1.00 0.00 C ATOM 298 O PRO A 21 12.979 -0.198 2.468 1.00 0.00 O ATOM 299 CB PRO A 21 15.074 0.774 4.722 1.00 0.00 C ATOM 300 CG PRO A 21 15.826 2.122 4.917 1.00 0.00 C ATOM 301 CD PRO A 21 15.193 3.021 3.831 1.00 0.00 C ATOM 0 HA PRO A 21 16.049 0.220 2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.053 0.814 5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.572 -0.052 5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.677 2.528 5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.901 2.011 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.283 3.506 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.872 3.811 3.511 1.00 0.00 H new ATOM 309 N GLY A 22 14.699 -1.643 2.421 1.00 0.00 N ATOM 310 CA GLY A 22 13.925 -2.824 1.879 1.00 0.00 C ATOM 311 C GLY A 22 14.773 -3.517 0.783 1.00 0.00 C ATOM 312 O GLY A 22 15.939 -3.197 0.654 1.00 0.00 O ATOM 0 H GLY A 22 15.683 -1.845 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.698 -3.526 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.972 -2.493 1.466 1.00 0.00 H new ATOM 316 N PRO A 23 14.237 -4.447 0.026 1.00 0.00 N ATOM 317 CA PRO A 23 13.028 -5.279 0.328 1.00 0.00 C ATOM 318 C PRO A 23 13.253 -6.115 1.607 1.00 0.00 C ATOM 319 O PRO A 23 14.105 -6.984 1.634 1.00 0.00 O ATOM 320 CB PRO A 23 12.844 -6.132 -0.933 1.00 0.00 C ATOM 321 CG PRO A 23 14.308 -6.237 -1.458 1.00 0.00 C ATOM 322 CD PRO A 23 14.832 -4.803 -1.289 1.00 0.00 C ATOM 0 HA PRO A 23 12.132 -4.695 0.539 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.419 -7.110 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.182 -5.656 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.894 -6.953 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.343 -6.561 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.921 -4.759 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.496 -4.142 -2.088 1.00 0.00 H new ATOM 330 N SER A 24 12.465 -5.810 2.609 1.00 0.00 N ATOM 331 CA SER A 24 12.566 -6.533 3.930 1.00 0.00 C ATOM 332 C SER A 24 11.329 -7.389 4.277 1.00 0.00 C ATOM 333 O SER A 24 10.220 -7.089 3.872 1.00 0.00 O ATOM 334 CB SER A 24 12.777 -5.490 5.046 1.00 0.00 C ATOM 335 OG SER A 24 14.026 -4.895 4.714 1.00 0.00 O ATOM 0 H SER A 24 11.748 -5.086 2.574 1.00 0.00 H new ATOM 0 HA SER A 24 13.406 -7.223 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.974 -4.753 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.804 -5.956 6.031 1.00 0.00 H new ATOM 0 HG SER A 24 14.247 -4.207 5.376 1.00 0.00 H new ATOM 341 N GLY A 25 11.558 -8.444 5.031 1.00 0.00 N ATOM 342 CA GLY A 25 10.467 -9.401 5.477 1.00 0.00 C ATOM 343 C GLY A 25 9.160 -8.699 5.847 1.00 0.00 C ATOM 344 O GLY A 25 8.089 -9.064 5.396 1.00 0.00 O ATOM 0 H GLY A 25 12.486 -8.695 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.273 -10.117 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.822 -9.970 6.336 1.00 0.00 H new ATOM 348 N GLU A 26 9.352 -7.716 6.691 1.00 0.00 N ATOM 349 CA GLU A 26 8.242 -6.864 7.207 1.00 0.00 C ATOM 350 C GLU A 26 7.295 -6.376 6.102 1.00 0.00 C ATOM 351 O GLU A 26 6.146 -6.788 6.087 1.00 0.00 O ATOM 352 CB GLU A 26 8.862 -5.655 7.968 1.00 0.00 C ATOM 353 CG GLU A 26 10.149 -5.115 7.255 1.00 0.00 C ATOM 354 CD GLU A 26 10.534 -3.682 7.618 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.833 -3.057 8.397 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.555 -3.329 7.050 1.00 0.00 O ATOM 0 H GLU A 26 10.270 -7.462 7.056 1.00 0.00 H new ATOM 0 HA GLU A 26 7.632 -7.471 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.125 -4.855 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.110 -5.955 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.984 -5.772 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.001 -5.174 6.177 1.00 0.00 H new ATOM 363 N CYS A 27 7.754 -5.536 5.192 1.00 0.00 N ATOM 364 CA CYS A 27 6.758 -5.124 4.169 1.00 0.00 C ATOM 365 C CYS A 27 6.284 -6.320 3.392 1.00 0.00 C ATOM 366 O CYS A 27 5.100 -6.505 3.366 1.00 0.00 O ATOM 367 CB CYS A 27 7.228 -4.177 3.054 1.00 0.00 C ATOM 368 SG CYS A 27 5.689 -3.549 2.334 1.00 0.00 S ATOM 0 H CYS A 27 8.696 -5.151 5.120 1.00 0.00 H new ATOM 0 HA CYS A 27 6.020 -4.614 4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.842 -3.368 3.450 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.831 -4.702 2.312 1.00 0.00 H new ATOM 373 N CYS A 28 7.133 -7.113 2.790 1.00 0.00 N ATOM 374 CA CYS A 28 6.592 -8.287 2.016 1.00 0.00 C ATOM 375 C CYS A 28 5.450 -9.040 2.716 1.00 0.00 C ATOM 376 O CYS A 28 4.409 -9.292 2.128 1.00 0.00 O ATOM 377 CB CYS A 28 7.765 -9.216 1.708 1.00 0.00 C ATOM 378 SG CYS A 28 8.827 -8.663 0.352 1.00 0.00 S ATOM 0 H CYS A 28 8.148 -7.010 2.795 1.00 0.00 H new ATOM 0 HA CYS A 28 6.135 -7.907 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.372 -9.324 2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.375 -10.205 1.467 1.00 0.00 H new ATOM 383 N ASN A 29 5.663 -9.368 3.968 1.00 0.00 N ATOM 384 CA ASN A 29 4.593 -10.097 4.716 1.00 0.00 C ATOM 385 C ASN A 29 3.380 -9.130 4.768 1.00 0.00 C ATOM 386 O ASN A 29 2.241 -9.521 4.629 1.00 0.00 O ATOM 387 CB ASN A 29 5.190 -10.473 6.120 1.00 0.00 C ATOM 388 CG ASN A 29 5.014 -9.393 7.151 1.00 0.00 C ATOM 389 OD1 ASN A 29 3.919 -8.977 7.444 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.017 -8.881 7.758 1.00 0.00 N ATOM 0 H ASN A 29 6.513 -9.167 4.495 1.00 0.00 H new ATOM 0 HA ASN A 29 4.257 -11.028 4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.714 -11.387 6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.252 -10.690 6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.873 -8.152 8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.961 -9.201 7.543 1.00 0.00 H new ATOM 397 N GLY A 30 3.653 -7.868 4.979 1.00 0.00 N ATOM 398 CA GLY A 30 2.570 -6.837 5.035 1.00 0.00 C ATOM 399 C GLY A 30 1.795 -6.843 3.710 1.00 0.00 C ATOM 400 O GLY A 30 0.600 -7.029 3.716 1.00 0.00 O ATOM 0 H GLY A 30 4.595 -7.502 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.895 -7.046 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.999 -5.851 5.214 1.00 0.00 H new ATOM 404 N VAL A 31 2.513 -6.628 2.633 1.00 0.00 N ATOM 405 CA VAL A 31 1.937 -6.608 1.240 1.00 0.00 C ATOM 406 C VAL A 31 1.016 -7.833 1.198 1.00 0.00 C ATOM 407 O VAL A 31 -0.116 -7.756 0.759 1.00 0.00 O ATOM 408 CB VAL A 31 3.029 -6.793 0.127 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.514 -6.214 -1.163 1.00 0.00 C ATOM 410 CG2 VAL A 31 4.308 -6.024 0.362 1.00 0.00 C ATOM 0 H VAL A 31 3.518 -6.458 2.660 1.00 0.00 H new ATOM 0 HA VAL A 31 1.448 -5.653 1.047 1.00 0.00 H new ATOM 0 HB VAL A 31 3.231 -7.864 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.265 -6.337 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.600 -6.731 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.303 -5.153 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.002 -6.213 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.088 -4.958 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.759 -6.346 1.301 1.00 0.00 H new ATOM 420 N ARG A 32 1.536 -8.953 1.648 1.00 0.00 N ATOM 421 CA ARG A 32 0.707 -10.197 1.670 1.00 0.00 C ATOM 422 C ARG A 32 -0.533 -9.894 2.581 1.00 0.00 C ATOM 423 O ARG A 32 -1.638 -10.004 2.082 1.00 0.00 O ATOM 424 CB ARG A 32 1.609 -11.344 2.211 1.00 0.00 C ATOM 425 CG ARG A 32 1.715 -12.493 1.178 1.00 0.00 C ATOM 426 CD ARG A 32 0.332 -13.063 0.799 1.00 0.00 C ATOM 427 NE ARG A 32 0.653 -13.959 -0.379 1.00 0.00 N ATOM 428 CZ ARG A 32 0.187 -15.137 -0.564 1.00 0.00 C ATOM 429 NH1 ARG A 32 -1.058 -15.367 -0.383 1.00 0.00 N ATOM 430 NH2 ARG A 32 1.028 -16.024 -0.934 1.00 0.00 N ATOM 0 H ARG A 32 2.489 -9.057 1.997 1.00 0.00 H new ATOM 0 HA ARG A 32 0.339 -10.506 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.603 -10.957 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.198 -11.726 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.214 -12.128 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.336 -13.291 1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.116 -13.621 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.371 -12.275 0.529 1.00 0.00 H new ATOM 0 HE ARG A 32 1.294 -13.594 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.679 -14.612 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.430 -16.305 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.008 -15.774 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.720 -16.982 -1.098 1.00 0.00 H new ATOM 444 N ASP A 33 -0.395 -9.527 3.847 1.00 0.00 N ATOM 445 CA ASP A 33 -1.660 -9.250 4.615 1.00 0.00 C ATOM 446 C ASP A 33 -2.572 -8.372 3.768 1.00 0.00 C ATOM 447 O ASP A 33 -3.676 -8.753 3.494 1.00 0.00 O ATOM 448 CB ASP A 33 -1.427 -8.505 5.955 1.00 0.00 C ATOM 449 CG ASP A 33 -2.032 -9.244 7.152 1.00 0.00 C ATOM 450 OD1 ASP A 33 -2.947 -10.037 6.948 1.00 0.00 O ATOM 451 OD2 ASP A 33 -1.502 -8.900 8.197 1.00 0.00 O ATOM 0 H ASP A 33 0.483 -9.413 4.353 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.097 -10.223 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.356 -8.378 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.861 -7.507 5.892 1.00 0.00 H new ATOM 456 N LEU A 34 -2.088 -7.230 3.370 1.00 0.00 N ATOM 457 CA LEU A 34 -2.820 -6.249 2.531 1.00 0.00 C ATOM 458 C LEU A 34 -3.600 -7.077 1.502 1.00 0.00 C ATOM 459 O LEU A 34 -4.802 -6.960 1.421 1.00 0.00 O ATOM 460 CB LEU A 34 -1.673 -5.355 2.038 1.00 0.00 C ATOM 461 CG LEU A 34 -1.274 -4.326 3.146 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.057 -3.035 2.960 1.00 0.00 C ATOM 463 CD2 LEU A 34 -1.507 -4.782 4.600 1.00 0.00 C ATOM 0 H LEU A 34 -1.147 -6.921 3.613 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.580 -5.606 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.812 -5.969 1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.977 -4.827 1.134 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.199 -4.203 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.774 -2.323 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.834 -2.612 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.125 -3.243 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.196 -3.992 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.566 -4.995 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.925 -5.682 4.797 1.00 0.00 H new ATOM 475 N HIS A 35 -2.892 -7.879 0.757 1.00 0.00 N ATOM 476 CA HIS A 35 -3.501 -8.771 -0.285 1.00 0.00 C ATOM 477 C HIS A 35 -4.784 -9.408 0.311 1.00 0.00 C ATOM 478 O HIS A 35 -5.807 -9.446 -0.340 1.00 0.00 O ATOM 479 CB HIS A 35 -2.426 -9.805 -0.645 1.00 0.00 C ATOM 480 CG HIS A 35 -2.760 -10.610 -1.881 1.00 0.00 C ATOM 481 ND1 HIS A 35 -1.874 -11.282 -2.527 1.00 0.00 N ATOM 482 CD2 HIS A 35 -3.941 -10.836 -2.560 1.00 0.00 C ATOM 483 CE1 HIS A 35 -2.436 -11.884 -3.526 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.721 -11.634 -3.585 1.00 0.00 N ATOM 0 H HIS A 35 -1.878 -7.959 0.827 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.801 -8.245 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.476 -9.293 -0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.289 -10.484 0.196 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.901 -10.421 -2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.909 -12.516 -4.226 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.396 -11.978 -4.268 1.00 0.00 H new ATOM 492 N ASN A 36 -4.710 -9.901 1.523 1.00 0.00 N ATOM 493 CA ASN A 36 -5.924 -10.521 2.174 1.00 0.00 C ATOM 494 C ASN A 36 -6.623 -9.595 3.221 1.00 0.00 C ATOM 495 O ASN A 36 -7.517 -10.031 3.918 1.00 0.00 O ATOM 496 CB ASN A 36 -5.477 -11.861 2.833 1.00 0.00 C ATOM 497 CG ASN A 36 -4.370 -11.593 3.837 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.203 -11.590 3.513 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.702 -11.359 5.064 1.00 0.00 N ATOM 0 H ASN A 36 -3.866 -9.905 2.095 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.675 -10.688 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.324 -12.334 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.128 -12.555 2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.981 -11.172 5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.685 -11.362 5.336 1.00 0.00 H new ATOM 506 N GLN A 37 -6.193 -8.365 3.298 1.00 0.00 N ATOM 507 CA GLN A 37 -6.753 -7.333 4.249 1.00 0.00 C ATOM 508 C GLN A 37 -7.551 -6.194 3.569 1.00 0.00 C ATOM 509 O GLN A 37 -8.612 -5.781 3.996 1.00 0.00 O ATOM 510 CB GLN A 37 -5.640 -6.581 5.029 1.00 0.00 C ATOM 511 CG GLN A 37 -4.700 -7.392 5.939 1.00 0.00 C ATOM 512 CD GLN A 37 -5.250 -7.604 7.333 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.689 -6.717 8.035 1.00 0.00 O ATOM 514 NE2 GLN A 37 -5.221 -8.815 7.757 1.00 0.00 N ATOM 0 H GLN A 37 -5.438 -8.007 2.714 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.397 -7.938 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.023 -6.055 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.123 -5.822 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.509 -8.362 5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.741 -6.878 6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.850 -9.555 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.568 -9.037 8.690 1.00 0.00 H new ATOM 523 N ALA A 38 -6.977 -5.715 2.500 1.00 0.00 N ATOM 524 CA ALA A 38 -7.533 -4.595 1.684 1.00 0.00 C ATOM 525 C ALA A 38 -8.523 -5.006 0.568 1.00 0.00 C ATOM 526 O ALA A 38 -8.535 -4.478 -0.529 1.00 0.00 O ATOM 527 CB ALA A 38 -6.244 -3.855 1.158 1.00 0.00 C ATOM 0 H ALA A 38 -6.094 -6.077 2.139 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.180 -3.953 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.538 -3.006 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.656 -3.501 2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.645 -4.545 0.564 1.00 0.00 H new ATOM 533 N GLN A 39 -9.334 -5.962 0.902 1.00 0.00 N ATOM 534 CA GLN A 39 -10.380 -6.513 -0.011 1.00 0.00 C ATOM 535 C GLN A 39 -11.741 -6.570 0.739 1.00 0.00 C ATOM 536 O GLN A 39 -12.444 -7.564 0.708 1.00 0.00 O ATOM 537 CB GLN A 39 -9.892 -7.934 -0.483 1.00 0.00 C ATOM 538 CG GLN A 39 -9.179 -8.742 0.661 1.00 0.00 C ATOM 539 CD GLN A 39 -9.981 -8.749 1.961 1.00 0.00 C ATOM 540 OE1 GLN A 39 -10.153 -7.751 2.622 1.00 0.00 O ATOM 541 NE2 GLN A 39 -10.500 -9.842 2.399 1.00 0.00 N ATOM 0 H GLN A 39 -9.317 -6.410 1.818 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.529 -5.883 -0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.746 -8.505 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.206 -7.818 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.020 -9.769 0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.195 -8.311 0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.381 -10.709 1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.030 -9.841 3.270 1.00 0.00 H new ATOM 550 N SER A 40 -12.076 -5.482 1.394 1.00 0.00 N ATOM 551 CA SER A 40 -13.375 -5.402 2.168 1.00 0.00 C ATOM 552 C SER A 40 -14.358 -4.470 1.476 1.00 0.00 C ATOM 553 O SER A 40 -15.538 -4.746 1.379 1.00 0.00 O ATOM 554 CB SER A 40 -13.159 -4.849 3.619 1.00 0.00 C ATOM 555 OG SER A 40 -13.249 -3.416 3.563 1.00 0.00 O ATOM 0 H SER A 40 -11.507 -4.637 1.430 1.00 0.00 H new ATOM 0 HA SER A 40 -13.764 -6.419 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.911 -5.252 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.186 -5.156 4.003 1.00 0.00 H new ATOM 0 HG SER A 40 -12.400 -3.047 3.241 1.00 0.00 H new ATOM 561 N SER A 41 -13.825 -3.370 1.013 1.00 0.00 N ATOM 562 CA SER A 41 -14.683 -2.360 0.318 1.00 0.00 C ATOM 563 C SER A 41 -13.910 -1.536 -0.733 1.00 0.00 C ATOM 564 O SER A 41 -13.774 -1.940 -1.872 1.00 0.00 O ATOM 565 CB SER A 41 -15.293 -1.483 1.462 1.00 0.00 C ATOM 566 OG SER A 41 -14.160 -1.093 2.246 1.00 0.00 O ATOM 0 H SER A 41 -12.837 -3.126 1.084 1.00 0.00 H new ATOM 0 HA SER A 41 -15.466 -2.839 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.818 -0.616 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.013 -2.047 2.055 1.00 0.00 H new ATOM 0 HG SER A 41 -13.898 -1.833 2.833 1.00 0.00 H new ATOM 572 N GLY A 42 -13.432 -0.411 -0.284 1.00 0.00 N ATOM 573 CA GLY A 42 -12.644 0.551 -1.126 1.00 0.00 C ATOM 574 C GLY A 42 -11.337 0.726 -0.384 1.00 0.00 C ATOM 575 O GLY A 42 -10.933 1.816 -0.050 1.00 0.00 O ATOM 0 H GLY A 42 -13.559 -0.099 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.481 0.158 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.167 1.501 -1.237 1.00 0.00 H new ATOM 579 N ASP A 43 -10.693 -0.370 -0.148 1.00 0.00 N ATOM 580 CA ASP A 43 -9.386 -0.417 0.589 1.00 0.00 C ATOM 581 C ASP A 43 -8.209 -0.095 -0.322 1.00 0.00 C ATOM 582 O ASP A 43 -7.504 0.855 -0.078 1.00 0.00 O ATOM 583 CB ASP A 43 -9.235 -1.829 1.194 1.00 0.00 C ATOM 584 CG ASP A 43 -10.503 -2.659 1.057 1.00 0.00 C ATOM 585 OD1 ASP A 43 -10.861 -3.007 -0.059 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.079 -2.915 2.084 1.00 0.00 O ATOM 0 H ASP A 43 -11.027 -1.287 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.386 0.339 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.411 -2.346 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.973 -1.743 2.248 1.00 0.00 H new ATOM 591 N ARG A 44 -7.975 -0.860 -1.352 1.00 0.00 N ATOM 592 CA ARG A 44 -6.840 -0.552 -2.268 1.00 0.00 C ATOM 593 C ARG A 44 -7.089 0.952 -2.667 1.00 0.00 C ATOM 594 O ARG A 44 -6.178 1.751 -2.796 1.00 0.00 O ATOM 595 CB ARG A 44 -6.997 -1.655 -3.333 1.00 0.00 C ATOM 596 CG ARG A 44 -6.703 -3.022 -2.602 1.00 0.00 C ATOM 597 CD ARG A 44 -7.155 -4.304 -3.335 1.00 0.00 C ATOM 598 NE ARG A 44 -8.268 -3.961 -4.276 1.00 0.00 N ATOM 599 CZ ARG A 44 -9.513 -4.096 -4.045 1.00 0.00 C ATOM 600 NH1 ARG A 44 -9.991 -4.036 -2.862 1.00 0.00 N ATOM 601 NH2 ARG A 44 -10.222 -4.287 -5.084 1.00 0.00 N ATOM 0 H ARG A 44 -8.521 -1.686 -1.599 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.803 -0.585 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.002 -1.648 -3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.304 -1.499 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.630 -3.090 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.187 -2.998 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.319 -4.739 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.488 -5.052 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.005 -3.584 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.370 -3.876 -2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.993 -4.148 -2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.781 -4.321 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.231 -4.406 -4.998 1.00 0.00 H new ATOM 615 N GLN A 45 -8.355 1.291 -2.839 1.00 0.00 N ATOM 616 CA GLN A 45 -8.782 2.683 -3.192 1.00 0.00 C ATOM 617 C GLN A 45 -8.380 3.536 -1.954 1.00 0.00 C ATOM 618 O GLN A 45 -7.751 4.568 -2.088 1.00 0.00 O ATOM 619 CB GLN A 45 -10.317 2.634 -3.440 1.00 0.00 C ATOM 620 CG GLN A 45 -10.640 1.447 -4.416 1.00 0.00 C ATOM 621 CD GLN A 45 -12.079 1.487 -4.886 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.008 0.939 -4.336 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.306 2.166 -5.945 1.00 0.00 N ATOM 0 H GLN A 45 -9.129 0.634 -2.745 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.327 3.107 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.847 2.500 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.660 3.576 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.974 1.492 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.447 0.499 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.538 2.636 -6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.255 2.238 -6.311 1.00 0.00 H new ATOM 632 N THR A 46 -8.746 3.094 -0.773 1.00 0.00 N ATOM 633 CA THR A 46 -8.380 3.851 0.484 1.00 0.00 C ATOM 634 C THR A 46 -6.885 4.230 0.370 1.00 0.00 C ATOM 635 O THR A 46 -6.494 5.376 0.470 1.00 0.00 O ATOM 636 CB THR A 46 -8.484 3.000 1.802 1.00 0.00 C ATOM 637 OG1 THR A 46 -9.847 2.822 2.185 1.00 0.00 O ATOM 638 CG2 THR A 46 -7.932 3.839 2.949 1.00 0.00 C ATOM 0 H THR A 46 -9.283 2.241 -0.618 1.00 0.00 H new ATOM 0 HA THR A 46 -9.073 4.689 0.554 1.00 0.00 H new ATOM 0 HB THR A 46 -7.969 2.056 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.332 2.365 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.993 3.271 3.877 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.892 4.093 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.517 4.754 3.045 1.00 0.00 H new ATOM 646 N VAL A 47 -6.113 3.197 0.158 1.00 0.00 N ATOM 647 CA VAL A 47 -4.644 3.338 0.024 1.00 0.00 C ATOM 648 C VAL A 47 -4.385 4.423 -1.004 1.00 0.00 C ATOM 649 O VAL A 47 -3.696 5.354 -0.664 1.00 0.00 O ATOM 650 CB VAL A 47 -4.061 1.963 -0.391 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.216 1.982 -1.653 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.286 1.435 0.774 1.00 0.00 C ATOM 0 H VAL A 47 -6.454 2.240 0.071 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.159 3.629 0.956 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.895 1.310 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.853 0.976 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.820 2.331 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.368 2.652 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.860 0.465 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.484 2.130 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.949 1.325 1.632 1.00 0.00 H new ATOM 662 N CYS A 48 -4.903 4.290 -2.207 1.00 0.00 N ATOM 663 CA CYS A 48 -4.688 5.349 -3.252 1.00 0.00 C ATOM 664 C CYS A 48 -4.860 6.734 -2.609 1.00 0.00 C ATOM 665 O CYS A 48 -3.991 7.579 -2.732 1.00 0.00 O ATOM 666 CB CYS A 48 -5.701 5.188 -4.363 1.00 0.00 C ATOM 667 SG CYS A 48 -6.103 6.727 -5.219 1.00 0.00 S ATOM 0 H CYS A 48 -5.465 3.494 -2.510 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.683 5.251 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.318 4.470 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.616 4.765 -3.948 1.00 0.00 H new ATOM 672 N ASN A 49 -5.984 6.895 -1.939 1.00 0.00 N ATOM 673 CA ASN A 49 -6.286 8.199 -1.247 1.00 0.00 C ATOM 674 C ASN A 49 -5.031 8.601 -0.448 1.00 0.00 C ATOM 675 O ASN A 49 -4.576 9.728 -0.508 1.00 0.00 O ATOM 676 CB ASN A 49 -7.449 8.114 -0.189 1.00 0.00 C ATOM 677 CG ASN A 49 -8.778 7.529 -0.646 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.893 6.905 -1.765 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 -9.769 7.636 0.046 1.00 0.00 N flip ATOM 0 H ASN A 49 -6.705 6.180 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.581 8.901 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.093 7.521 0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.636 9.120 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.716 8.124 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.655 7.238 -0.266 1.00 0.00 H new ATOM 686 N CYS A 50 -4.490 7.651 0.280 1.00 0.00 N ATOM 687 CA CYS A 50 -3.277 7.912 1.103 1.00 0.00 C ATOM 688 C CYS A 50 -2.001 8.111 0.188 1.00 0.00 C ATOM 689 O CYS A 50 -1.270 9.084 0.346 1.00 0.00 O ATOM 690 CB CYS A 50 -3.255 6.687 2.071 1.00 0.00 C ATOM 691 SG CYS A 50 -4.798 6.129 2.842 1.00 0.00 S ATOM 0 H CYS A 50 -4.846 6.697 0.336 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.283 8.841 1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.842 5.843 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.554 6.917 2.873 1.00 0.00 H new ATOM 696 N LEU A 51 -1.748 7.201 -0.737 1.00 0.00 N ATOM 697 CA LEU A 51 -0.587 7.272 -1.673 1.00 0.00 C ATOM 698 C LEU A 51 -0.510 8.705 -2.155 1.00 0.00 C ATOM 699 O LEU A 51 0.472 9.377 -1.935 1.00 0.00 O ATOM 700 CB LEU A 51 -0.804 6.295 -2.897 1.00 0.00 C ATOM 701 CG LEU A 51 -1.165 4.849 -2.474 1.00 0.00 C ATOM 702 CD1 LEU A 51 -1.079 3.907 -3.637 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.212 4.357 -1.465 1.00 0.00 C ATOM 0 H LEU A 51 -2.333 6.378 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 51 0.335 6.972 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.599 6.689 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.104 6.273 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.181 4.881 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.338 2.900 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.773 4.225 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.064 3.910 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.479 3.340 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.795 4.364 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.246 5.002 -0.587 1.00 0.00 H new ATOM 715 N LYS A 52 -1.586 9.085 -2.780 1.00 0.00 N ATOM 716 CA LYS A 52 -1.773 10.446 -3.354 1.00 0.00 C ATOM 717 C LYS A 52 -1.195 11.609 -2.523 1.00 0.00 C ATOM 718 O LYS A 52 -0.355 12.379 -2.959 1.00 0.00 O ATOM 719 CB LYS A 52 -3.295 10.572 -3.559 1.00 0.00 C ATOM 720 CG LYS A 52 -3.701 9.695 -4.760 1.00 0.00 C ATOM 721 CD LYS A 52 -3.286 10.326 -6.129 1.00 0.00 C ATOM 722 CE LYS A 52 -3.484 9.235 -7.160 1.00 0.00 C ATOM 723 NZ LYS A 52 -3.509 9.800 -8.538 1.00 0.00 N ATOM 0 H LYS A 52 -2.388 8.471 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.204 10.537 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.826 10.254 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.568 11.612 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.239 8.713 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.780 9.542 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.898 11.198 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.249 10.661 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.681 8.502 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.417 8.708 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.476 9.748 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.201 10.793 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.868 9.254 -9.149 1.00 0.00 H new ATOM 737 N GLY A 53 -1.650 11.709 -1.306 1.00 0.00 N ATOM 738 CA GLY A 53 -1.158 12.816 -0.424 1.00 0.00 C ATOM 739 C GLY A 53 0.249 12.644 0.090 1.00 0.00 C ATOM 740 O GLY A 53 0.943 13.638 0.122 1.00 0.00 O ATOM 0 H GLY A 53 -2.334 11.082 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.215 13.753 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.831 12.908 0.428 1.00 0.00 H new ATOM 744 N ILE A 54 0.704 11.486 0.490 1.00 0.00 N ATOM 745 CA ILE A 54 2.132 11.502 0.963 1.00 0.00 C ATOM 746 C ILE A 54 2.991 11.660 -0.310 1.00 0.00 C ATOM 747 O ILE A 54 3.939 12.430 -0.374 1.00 0.00 O ATOM 748 CB ILE A 54 2.418 10.185 1.701 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.488 10.456 2.830 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.774 9.038 0.745 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.657 9.468 2.849 1.00 0.00 C ATOM 0 H ILE A 54 0.205 10.596 0.514 1.00 0.00 H new ATOM 0 HA ILE A 54 2.351 12.311 1.660 1.00 0.00 H new ATOM 0 HB ILE A 54 1.509 9.831 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.883 11.464 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.990 10.428 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.966 8.132 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.944 8.864 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.665 9.302 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.342 9.730 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.278 8.459 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.185 9.511 1.896 1.00 0.00 H new ATOM 763 N ALA A 55 2.606 10.905 -1.316 1.00 0.00 N ATOM 764 CA ALA A 55 3.304 10.916 -2.645 1.00 0.00 C ATOM 765 C ALA A 55 3.604 12.367 -3.002 1.00 0.00 C ATOM 766 O ALA A 55 4.714 12.684 -3.376 1.00 0.00 O ATOM 767 CB ALA A 55 2.395 10.276 -3.701 1.00 0.00 C ATOM 0 H ALA A 55 1.814 10.264 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 55 4.233 10.347 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.899 10.283 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.172 9.248 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.466 10.842 -3.773 1.00 0.00 H new ATOM 773 N ARG A 56 2.569 13.163 -2.872 1.00 0.00 N ATOM 774 CA ARG A 56 2.618 14.631 -3.146 1.00 0.00 C ATOM 775 C ARG A 56 4.038 15.267 -2.995 1.00 0.00 C ATOM 776 O ARG A 56 4.428 16.111 -3.775 1.00 0.00 O ATOM 777 CB ARG A 56 1.605 15.288 -2.191 1.00 0.00 C ATOM 778 CG ARG A 56 1.507 16.803 -2.476 1.00 0.00 C ATOM 779 CD ARG A 56 0.433 17.444 -1.593 1.00 0.00 C ATOM 780 NE ARG A 56 -0.823 17.562 -2.417 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.957 17.182 -1.979 1.00 0.00 C ATOM 782 NH1 ARG A 56 -2.195 15.944 -1.920 1.00 0.00 N ATOM 783 NH2 ARG A 56 -2.779 18.079 -1.632 1.00 0.00 N ATOM 0 H ARG A 56 1.651 12.835 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 56 2.365 14.804 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.626 14.824 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.910 15.124 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.471 17.278 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.268 16.967 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.254 16.836 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.757 18.425 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.763 17.959 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.487 15.274 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.096 15.614 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.522 19.063 -1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.698 17.818 -1.276 1.00 0.00 H new ATOM 797 N GLY A 57 4.757 14.831 -1.982 1.00 0.00 N ATOM 798 CA GLY A 57 6.144 15.334 -1.679 1.00 0.00 C ATOM 799 C GLY A 57 7.168 14.197 -1.583 1.00 0.00 C ATOM 800 O GLY A 57 8.298 14.363 -1.986 1.00 0.00 O ATOM 0 H GLY A 57 4.427 14.121 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.452 16.033 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.130 15.888 -0.740 1.00 0.00 H new ATOM 804 N ILE A 58 6.742 13.081 -1.060 1.00 0.00 N ATOM 805 CA ILE A 58 7.566 11.845 -0.864 1.00 0.00 C ATOM 806 C ILE A 58 9.032 11.611 -1.202 1.00 0.00 C ATOM 807 O ILE A 58 9.646 10.897 -0.437 1.00 0.00 O ATOM 808 CB ILE A 58 6.779 10.669 -1.533 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.118 9.895 -0.395 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.605 9.753 -2.524 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.008 8.407 -0.692 1.00 0.00 C ATOM 0 H ILE A 58 5.782 12.968 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 58 7.690 11.956 0.213 1.00 0.00 H new ATOM 0 HB ILE A 58 6.039 11.087 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.693 10.038 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.123 10.301 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.957 8.974 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.993 10.360 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.435 9.293 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.531 7.903 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.410 8.259 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.004 7.992 -0.846 1.00 0.00 H new ATOM 823 N HIS A 59 9.528 12.179 -2.269 1.00 0.00 N ATOM 824 CA HIS A 59 10.960 12.018 -2.752 1.00 0.00 C ATOM 825 C HIS A 59 10.906 11.994 -4.303 1.00 0.00 C ATOM 826 O HIS A 59 11.893 12.249 -4.960 1.00 0.00 O ATOM 827 CB HIS A 59 11.599 10.654 -2.288 1.00 0.00 C ATOM 828 CG HIS A 59 13.103 10.577 -2.609 1.00 0.00 C ATOM 829 ND1 HIS A 59 13.679 10.820 -3.741 1.00 0.00 N ATOM 830 CD2 HIS A 59 14.148 10.237 -1.771 1.00 0.00 C ATOM 831 CE1 HIS A 59 14.963 10.650 -3.627 1.00 0.00 C ATOM 832 NE2 HIS A 59 15.295 10.287 -2.415 1.00 0.00 N ATOM 0 H HIS A 59 8.973 12.788 -2.870 1.00 0.00 H new ATOM 0 HA HIS A 59 11.560 12.832 -2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.452 10.532 -1.215 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.082 9.828 -2.777 1.00 0.00 H new ATOM 0 HD1 HIS A 59 13.198 11.103 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.039 9.967 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.668 10.791 -4.433 1.00 0.00 H new ATOM 840 N ASN A 60 9.731 11.678 -4.794 1.00 0.00 N ATOM 841 CA ASN A 60 9.330 11.561 -6.240 1.00 0.00 C ATOM 842 C ASN A 60 9.370 10.097 -6.737 1.00 0.00 C ATOM 843 O ASN A 60 10.114 9.748 -7.626 1.00 0.00 O ATOM 844 CB ASN A 60 10.251 12.479 -7.147 1.00 0.00 C ATOM 845 CG ASN A 60 10.103 13.925 -6.682 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.051 14.372 -6.285 1.00 0.00 O ATOM 847 ND2 ASN A 60 11.118 14.723 -6.714 1.00 0.00 N ATOM 0 H ASN A 60 8.947 11.474 -4.174 1.00 0.00 H new ATOM 0 HA ASN A 60 8.298 11.903 -6.319 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.291 12.162 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.963 12.387 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.015 15.692 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.023 14.385 -7.042 1.00 0.00 H new ATOM 854 N LEU A 61 8.531 9.313 -6.100 1.00 0.00 N ATOM 855 CA LEU A 61 8.331 7.836 -6.363 1.00 0.00 C ATOM 856 C LEU A 61 9.187 7.104 -7.451 1.00 0.00 C ATOM 857 O LEU A 61 9.271 7.502 -8.597 1.00 0.00 O ATOM 858 CB LEU A 61 6.813 7.721 -6.659 1.00 0.00 C ATOM 859 CG LEU A 61 6.339 6.318 -7.121 1.00 0.00 C ATOM 860 CD1 LEU A 61 6.481 5.288 -5.987 1.00 0.00 C ATOM 861 CD2 LEU A 61 4.843 6.441 -7.479 1.00 0.00 C ATOM 0 H LEU A 61 7.931 9.661 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 61 8.700 7.302 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.261 7.997 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.552 8.448 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 61 6.941 5.987 -7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.142 4.313 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.526 5.222 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.876 5.599 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.467 5.473 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.284 6.766 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.719 7.171 -8.279 1.00 0.00 H new ATOM 873 N ASN A 62 9.794 6.013 -7.068 1.00 0.00 N ATOM 874 CA ASN A 62 10.636 5.222 -8.006 1.00 0.00 C ATOM 875 C ASN A 62 9.718 4.407 -8.912 1.00 0.00 C ATOM 876 O ASN A 62 9.913 4.378 -10.105 1.00 0.00 O ATOM 877 CB ASN A 62 11.537 4.310 -7.160 1.00 0.00 C ATOM 878 CG ASN A 62 12.329 3.375 -8.056 1.00 0.00 C ATOM 879 OD1 ASN A 62 11.847 2.409 -8.616 1.00 0.00 O ATOM 880 ND2 ASN A 62 13.576 3.630 -8.231 1.00 0.00 N ATOM 0 H ASN A 62 9.739 5.631 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 62 11.257 5.860 -8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.218 4.914 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.929 3.731 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.141 3.027 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.001 4.435 -7.771 1.00 0.00 H new ATOM 887 N LEU A 63 8.754 3.758 -8.317 1.00 0.00 N ATOM 888 CA LEU A 63 7.765 2.916 -9.088 1.00 0.00 C ATOM 889 C LEU A 63 8.328 1.606 -9.687 1.00 0.00 C ATOM 890 O LEU A 63 7.780 0.569 -9.410 1.00 0.00 O ATOM 891 CB LEU A 63 7.127 3.780 -10.237 1.00 0.00 C ATOM 892 CG LEU A 63 6.388 2.907 -11.286 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.155 2.244 -10.668 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.973 3.826 -12.428 1.00 0.00 C ATOM 0 H LEU A 63 8.599 3.770 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 63 7.023 2.602 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.428 4.496 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.908 4.357 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 63 7.042 2.112 -11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.652 1.637 -11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.461 1.610 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.472 3.012 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.449 3.247 -13.188 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.314 4.606 -12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.859 4.283 -12.867 1.00 0.00 H new ATOM 906 N ASN A 64 9.369 1.638 -10.478 1.00 0.00 N ATOM 907 CA ASN A 64 9.949 0.361 -11.079 1.00 0.00 C ATOM 908 C ASN A 64 10.067 -0.710 -9.959 1.00 0.00 C ATOM 909 O ASN A 64 9.569 -1.820 -10.031 1.00 0.00 O ATOM 910 CB ASN A 64 11.347 0.669 -11.671 1.00 0.00 C ATOM 911 CG ASN A 64 11.321 2.055 -12.264 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.541 3.026 -11.450 1.00 0.00 O flip ATOM 913 ND2 ASN A 64 11.096 2.282 -13.427 1.00 0.00 N flip ATOM 0 H ASN A 64 9.858 2.492 -10.746 1.00 0.00 H new ATOM 0 HA ASN A 64 9.302 -0.014 -11.872 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.110 0.603 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.605 -0.065 -12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.922 1.512 -14.072 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.080 3.244 -13.765 1.00 0.00 H new ATOM 920 N ASN A 65 10.750 -0.297 -8.924 1.00 0.00 N ATOM 921 CA ASN A 65 10.972 -1.160 -7.733 1.00 0.00 C ATOM 922 C ASN A 65 9.610 -1.525 -7.108 1.00 0.00 C ATOM 923 O ASN A 65 9.392 -2.663 -6.739 1.00 0.00 O ATOM 924 CB ASN A 65 11.962 -0.296 -6.872 1.00 0.00 C ATOM 925 CG ASN A 65 11.402 0.260 -5.583 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.311 0.785 -5.559 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.064 0.222 -4.483 1.00 0.00 N ATOM 0 H ASN A 65 11.173 0.628 -8.856 1.00 0.00 H new ATOM 0 HA ASN A 65 11.414 -2.142 -7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.833 -0.906 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.313 0.536 -7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.666 0.625 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.987 -0.211 -4.458 1.00 0.00 H new ATOM 934 N ALA A 66 8.748 -0.552 -7.009 1.00 0.00 N ATOM 935 CA ALA A 66 7.373 -0.726 -6.430 1.00 0.00 C ATOM 936 C ALA A 66 6.627 -1.849 -7.207 1.00 0.00 C ATOM 937 O ALA A 66 6.125 -2.816 -6.673 1.00 0.00 O ATOM 938 CB ALA A 66 6.642 0.625 -6.570 1.00 0.00 C ATOM 0 H ALA A 66 8.944 0.400 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 66 7.414 -1.017 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.636 0.539 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.191 1.394 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.581 0.898 -7.623 1.00 0.00 H new ATOM 944 N ALA A 67 6.587 -1.674 -8.500 1.00 0.00 N ATOM 945 CA ALA A 67 5.936 -2.610 -9.457 1.00 0.00 C ATOM 946 C ALA A 67 6.591 -3.993 -9.405 1.00 0.00 C ATOM 947 O ALA A 67 6.055 -4.934 -9.951 1.00 0.00 O ATOM 948 CB ALA A 67 6.031 -1.958 -10.859 1.00 0.00 C ATOM 0 H ALA A 67 7.009 -0.865 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 67 4.890 -2.775 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.565 -2.611 -11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.517 -0.997 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.078 -1.806 -11.120 1.00 0.00 H new ATOM 954 N SER A 68 7.717 -4.041 -8.747 1.00 0.00 N ATOM 955 CA SER A 68 8.496 -5.302 -8.572 1.00 0.00 C ATOM 956 C SER A 68 8.166 -5.873 -7.184 1.00 0.00 C ATOM 957 O SER A 68 8.441 -7.042 -6.957 1.00 0.00 O ATOM 958 CB SER A 68 10.011 -4.991 -8.683 1.00 0.00 C ATOM 959 OG SER A 68 10.695 -6.118 -8.137 1.00 0.00 O ATOM 0 H SER A 68 8.145 -3.227 -8.307 1.00 0.00 H new ATOM 0 HA SER A 68 8.237 -6.028 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.299 -4.828 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.262 -4.082 -8.136 1.00 0.00 H new ATOM 0 HG SER A 68 10.062 -6.672 -7.634 1.00 0.00 H new ATOM 965 N ILE A 69 7.592 -5.069 -6.309 1.00 0.00 N ATOM 966 CA ILE A 69 7.257 -5.604 -4.943 1.00 0.00 C ATOM 967 C ILE A 69 6.403 -6.871 -5.070 1.00 0.00 C ATOM 968 O ILE A 69 6.745 -7.871 -4.477 1.00 0.00 O ATOM 969 CB ILE A 69 6.473 -4.518 -4.057 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.438 -3.590 -3.262 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.481 -5.168 -3.049 1.00 0.00 C ATOM 972 CD1 ILE A 69 8.416 -4.376 -2.343 1.00 0.00 C ATOM 0 H ILE A 69 7.347 -4.093 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 69 8.196 -5.839 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 69 5.912 -3.925 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.013 -2.986 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.852 -2.900 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.979 -4.387 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.739 -5.752 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.029 -5.821 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.063 -3.675 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.846 -4.959 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.026 -5.046 -2.949 1.00 0.00 H new ATOM 984 N PRO A 70 5.326 -6.863 -5.827 1.00 0.00 N ATOM 985 CA PRO A 70 4.420 -8.049 -5.876 1.00 0.00 C ATOM 986 C PRO A 70 5.163 -9.383 -6.009 1.00 0.00 C ATOM 987 O PRO A 70 4.843 -10.349 -5.339 1.00 0.00 O ATOM 988 CB PRO A 70 3.488 -7.719 -7.042 1.00 0.00 C ATOM 989 CG PRO A 70 3.375 -6.170 -6.938 1.00 0.00 C ATOM 990 CD PRO A 70 4.840 -5.755 -6.707 1.00 0.00 C ATOM 0 HA PRO A 70 3.872 -8.208 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.904 -8.034 -7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.518 -8.207 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.965 -5.729 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.730 -5.863 -6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.402 -5.695 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.920 -4.781 -6.223 1.00 0.00 H new ATOM 998 N SER A 71 6.143 -9.383 -6.874 1.00 0.00 N ATOM 999 CA SER A 71 6.946 -10.638 -7.082 1.00 0.00 C ATOM 1000 C SER A 71 7.831 -10.791 -5.852 1.00 0.00 C ATOM 1001 O SER A 71 7.751 -11.762 -5.124 1.00 0.00 O ATOM 1002 CB SER A 71 7.826 -10.508 -8.351 1.00 0.00 C ATOM 1003 OG SER A 71 8.915 -11.400 -8.101 1.00 0.00 O ATOM 0 H SER A 71 6.424 -8.583 -7.441 1.00 0.00 H new ATOM 0 HA SER A 71 6.296 -11.502 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.277 -10.789 -9.250 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.172 -9.484 -8.495 1.00 0.00 H new ATOM 0 HG SER A 71 9.532 -11.385 -8.863 1.00 0.00 H new ATOM 1009 N LYS A 72 8.639 -9.779 -5.677 1.00 0.00 N ATOM 1010 CA LYS A 72 9.616 -9.658 -4.558 1.00 0.00 C ATOM 1011 C LYS A 72 9.110 -10.282 -3.245 1.00 0.00 C ATOM 1012 O LYS A 72 9.819 -10.960 -2.528 1.00 0.00 O ATOM 1013 CB LYS A 72 9.889 -8.131 -4.444 1.00 0.00 C ATOM 1014 CG LYS A 72 10.991 -7.733 -3.455 1.00 0.00 C ATOM 1015 CD LYS A 72 12.272 -8.533 -3.724 1.00 0.00 C ATOM 1016 CE LYS A 72 12.730 -8.383 -5.187 1.00 0.00 C ATOM 1017 NZ LYS A 72 13.899 -9.299 -5.383 1.00 0.00 N ATOM 0 H LYS A 72 8.658 -8.980 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 72 10.530 -10.218 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.155 -7.752 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.964 -7.634 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.197 -6.666 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.653 -7.910 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.063 -8.192 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.099 -9.586 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.921 -8.640 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.011 -7.351 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.237 -9.225 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.664 -9.030 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.608 -10.279 -5.190 1.00 0.00 H new ATOM 1031 N CYS A 73 7.860 -9.999 -3.025 1.00 0.00 N ATOM 1032 CA CYS A 73 7.102 -10.449 -1.832 1.00 0.00 C ATOM 1033 C CYS A 73 6.126 -11.645 -1.898 1.00 0.00 C ATOM 1034 O CYS A 73 5.436 -11.875 -0.926 1.00 0.00 O ATOM 1035 CB CYS A 73 6.404 -9.172 -1.384 1.00 0.00 C ATOM 1036 SG CYS A 73 7.494 -7.808 -0.906 1.00 0.00 S ATOM 0 H CYS A 73 7.301 -9.438 -3.668 1.00 0.00 H new ATOM 0 HA CYS A 73 7.818 -10.904 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.758 -8.830 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.758 -9.410 -0.539 1.00 0.00 H new ATOM 1041 N ASN A 74 6.039 -12.395 -2.959 1.00 0.00 N ATOM 1042 CA ASN A 74 5.077 -13.557 -3.002 1.00 0.00 C ATOM 1043 C ASN A 74 3.606 -13.067 -2.732 1.00 0.00 C ATOM 1044 O ASN A 74 2.864 -13.623 -1.946 1.00 0.00 O ATOM 1045 CB ASN A 74 5.618 -14.604 -1.916 1.00 0.00 C ATOM 1046 CG ASN A 74 4.882 -15.949 -1.833 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.708 -16.053 -1.538 1.00 0.00 O ATOM 1048 ND2 ASN A 74 5.527 -17.042 -2.081 1.00 0.00 N ATOM 0 H ASN A 74 6.590 -12.262 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 74 5.032 -14.034 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.669 -14.803 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.575 -14.131 -0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.048 -17.941 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.515 -17.005 -2.333 1.00 0.00 H new ATOM 1055 N VAL A 75 3.207 -12.005 -3.387 1.00 0.00 N ATOM 1056 CA VAL A 75 1.814 -11.433 -3.222 1.00 0.00 C ATOM 1057 C VAL A 75 1.191 -11.131 -4.597 1.00 0.00 C ATOM 1058 O VAL A 75 1.149 -10.025 -5.099 1.00 0.00 O ATOM 1059 CB VAL A 75 1.916 -10.143 -2.279 1.00 0.00 C ATOM 1060 CG1 VAL A 75 3.220 -9.456 -2.539 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.849 -9.069 -2.482 1.00 0.00 C ATOM 0 H VAL A 75 3.794 -11.493 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 75 1.147 -12.152 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 75 1.793 -10.544 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.301 -8.575 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.041 -10.139 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.269 -9.153 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.023 -8.247 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.898 -8.696 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.137 -9.496 -2.298 1.00 0.00 H new ATOM 1071 N ASN A 76 0.701 -12.181 -5.188 1.00 0.00 N ATOM 1072 CA ASN A 76 0.060 -12.075 -6.535 1.00 0.00 C ATOM 1073 C ASN A 76 -1.337 -11.424 -6.462 1.00 0.00 C ATOM 1074 O ASN A 76 -2.352 -12.042 -6.709 1.00 0.00 O ATOM 1075 CB ASN A 76 0.001 -13.501 -7.099 1.00 0.00 C ATOM 1076 CG ASN A 76 -0.843 -14.368 -6.176 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -0.560 -14.561 -5.016 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -1.912 -14.931 -6.626 1.00 0.00 N ATOM 0 H ASN A 76 0.715 -13.122 -4.794 1.00 0.00 H new ATOM 0 HA ASN A 76 0.640 -11.424 -7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.427 -13.491 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.007 -13.913 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.481 -15.512 -6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.189 -14.796 -7.598 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.322 -10.170 -6.111 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.583 -9.382 -5.994 1.00 0.00 C ATOM 1087 C VAL A 77 -2.578 -8.474 -7.239 1.00 0.00 C ATOM 1088 O VAL A 77 -1.674 -7.686 -7.433 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.538 -8.568 -4.663 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.610 -7.341 -4.721 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -3.962 -8.098 -4.307 1.00 0.00 C ATOM 0 H VAL A 77 -0.473 -9.646 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.491 -9.984 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.135 -9.237 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.629 -6.824 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.592 -7.665 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.951 -6.664 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.936 -7.529 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.348 -7.467 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.611 -8.965 -4.183 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.565 -8.586 -8.086 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.547 -7.843 -9.373 1.00 0.00 C ATOM 1103 C PRO A 78 -4.103 -6.416 -9.192 1.00 0.00 C ATOM 1104 O PRO A 78 -4.882 -5.978 -10.011 1.00 0.00 O ATOM 1105 CB PRO A 78 -4.381 -8.748 -10.258 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.533 -9.122 -9.268 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.789 -9.431 -7.947 1.00 0.00 C ATOM 0 HA PRO A 78 -2.561 -7.660 -9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.748 -8.236 -11.148 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.826 -9.622 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.241 -8.302 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.101 -9.984 -9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.378 -9.158 -7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.547 -10.490 -7.851 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.687 -5.723 -8.156 1.00 0.00 N ATOM 1116 CA TYR A 79 -4.195 -4.330 -7.918 1.00 0.00 C ATOM 1117 C TYR A 79 -3.247 -3.264 -8.524 1.00 0.00 C ATOM 1118 O TYR A 79 -2.049 -3.353 -8.397 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.404 -4.159 -6.340 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.952 -2.821 -5.766 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.553 -1.690 -6.240 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -2.986 -2.718 -4.782 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.206 -0.464 -5.745 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.628 -1.474 -4.273 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.245 -0.350 -4.761 1.00 0.00 C ATOM 1126 OH TYR A 79 -2.895 0.870 -4.242 1.00 0.00 O ATOM 0 H TYR A 79 -3.018 -6.061 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.147 -4.175 -8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.461 -4.295 -6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.863 -4.956 -5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.307 -1.765 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.506 -3.610 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.688 0.423 -6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.874 -1.394 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.925 0.902 -4.106 1.00 0.00 H new ATOM 1136 N THR A 80 -3.847 -2.292 -9.161 1.00 0.00 N ATOM 1137 CA THR A 80 -3.198 -1.123 -9.855 1.00 0.00 C ATOM 1138 C THR A 80 -1.693 -1.022 -10.075 1.00 0.00 C ATOM 1139 O THR A 80 -1.317 -0.918 -11.220 1.00 0.00 O ATOM 1140 CB THR A 80 -3.610 0.126 -9.148 1.00 0.00 C ATOM 1141 OG1 THR A 80 -5.012 -0.018 -9.156 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.353 1.356 -10.015 1.00 0.00 C ATOM 0 H THR A 80 -4.864 -2.259 -9.235 1.00 0.00 H new ATOM 0 HA THR A 80 -3.559 -1.286 -10.871 1.00 0.00 H new ATOM 0 HB THR A 80 -3.106 0.248 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.400 0.597 -9.813 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.662 2.252 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.290 1.421 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.923 1.274 -10.940 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.864 -1.031 -9.064 1.00 0.00 N ATOM 1151 CA ILE A 81 0.652 -0.933 -9.266 1.00 0.00 C ATOM 1152 C ILE A 81 1.088 -0.084 -10.534 1.00 0.00 C ATOM 1153 O ILE A 81 1.866 -0.472 -11.385 1.00 0.00 O ATOM 1154 CB ILE A 81 1.077 -2.417 -9.327 1.00 0.00 C ATOM 1155 CG1 ILE A 81 0.773 -3.162 -7.988 1.00 0.00 C ATOM 1156 CG2 ILE A 81 2.601 -2.554 -9.611 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.807 -2.905 -6.899 1.00 0.00 C ATOM 0 H ILE A 81 -1.156 -1.102 -8.089 1.00 0.00 H new ATOM 0 HA ILE A 81 1.148 -0.380 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 81 0.500 -2.865 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.208 -2.855 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.720 -4.233 -8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.871 -3.609 -9.648 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.837 -2.085 -10.566 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.165 -2.063 -8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.531 -3.454 -5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.787 -3.238 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.844 -1.839 -6.677 1.00 0.00 H new ATOM 1169 N SER A 82 0.542 1.102 -10.610 1.00 0.00 N ATOM 1170 CA SER A 82 0.854 2.018 -11.773 1.00 0.00 C ATOM 1171 C SER A 82 1.218 3.464 -11.348 1.00 0.00 C ATOM 1172 O SER A 82 0.700 3.932 -10.354 1.00 0.00 O ATOM 1173 CB SER A 82 -0.388 2.025 -12.702 1.00 0.00 C ATOM 1174 OG SER A 82 -0.470 0.698 -13.220 1.00 0.00 O ATOM 0 H SER A 82 -0.107 1.485 -9.923 1.00 0.00 H new ATOM 0 HA SER A 82 1.740 1.638 -12.282 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.291 2.290 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.277 2.755 -13.504 1.00 0.00 H new ATOM 0 HG SER A 82 -0.922 0.120 -12.570 1.00 0.00 H new ATOM 1180 N PRO A 83 2.063 4.145 -12.096 1.00 0.00 N ATOM 1181 CA PRO A 83 2.705 5.438 -11.665 1.00 0.00 C ATOM 1182 C PRO A 83 1.849 6.372 -10.770 1.00 0.00 C ATOM 1183 O PRO A 83 2.039 6.489 -9.575 1.00 0.00 O ATOM 1184 CB PRO A 83 3.145 6.068 -13.033 1.00 0.00 C ATOM 1185 CG PRO A 83 2.497 5.158 -14.128 1.00 0.00 C ATOM 1186 CD PRO A 83 2.477 3.773 -13.477 1.00 0.00 C ATOM 0 HA PRO A 83 3.532 5.266 -10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.800 7.098 -13.122 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.231 6.086 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.493 5.494 -14.386 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.081 5.160 -15.049 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.769 3.097 -13.957 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.452 3.286 -13.503 1.00 0.00 H new ATOM 1194 N ASP A 84 0.897 7.016 -11.380 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.027 7.962 -10.658 1.00 0.00 C ATOM 1196 C ASP A 84 -1.207 7.217 -9.974 1.00 0.00 C ATOM 1197 O ASP A 84 -2.321 7.707 -9.894 1.00 0.00 O ATOM 1198 CB ASP A 84 -0.521 8.974 -11.725 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.962 8.234 -12.989 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.073 7.897 -13.745 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -2.153 8.028 -13.136 1.00 0.00 O ATOM 0 H ASP A 84 0.707 6.930 -12.379 1.00 0.00 H new ATOM 0 HA ASP A 84 0.492 8.470 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.352 9.557 -11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.276 9.678 -11.966 1.00 0.00 H new ATOM 1206 N ILE A 85 -0.865 6.051 -9.499 1.00 0.00 N ATOM 1207 CA ILE A 85 -1.804 5.125 -8.799 1.00 0.00 C ATOM 1208 C ILE A 85 -3.055 5.756 -8.176 1.00 0.00 C ATOM 1209 O ILE A 85 -3.034 6.519 -7.228 1.00 0.00 O ATOM 1210 CB ILE A 85 -0.976 4.350 -7.739 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -1.721 2.998 -7.431 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -0.673 5.204 -6.497 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.022 3.060 -6.611 1.00 0.00 C ATOM 0 H ILE A 85 0.083 5.683 -9.573 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.229 4.471 -9.560 1.00 0.00 H new ATOM 0 HB ILE A 85 0.013 4.111 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.949 2.518 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.025 2.346 -6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.092 4.618 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.103 6.085 -6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.609 5.515 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.418 2.053 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.816 3.498 -5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.754 3.673 -7.136 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.138 5.389 -8.791 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.476 5.870 -8.367 1.00 0.00 C ATOM 1227 C ASP A 86 -6.399 4.942 -7.590 1.00 0.00 C ATOM 1228 O ASP A 86 -6.155 3.769 -7.384 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.194 6.399 -9.634 1.00 0.00 C ATOM 1230 CG ASP A 86 -6.689 7.809 -9.344 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -5.952 8.762 -9.539 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -7.829 7.766 -8.905 1.00 0.00 O ATOM 0 H ASP A 86 -4.152 4.758 -9.592 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.262 6.625 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.512 6.403 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.029 5.749 -9.898 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.448 5.614 -7.223 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.616 5.127 -6.447 1.00 0.00 C ATOM 1239 C CYS A 87 -9.697 4.742 -7.474 1.00 0.00 C ATOM 1240 O CYS A 87 -10.514 3.876 -7.232 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.088 6.282 -5.573 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.928 7.072 -4.434 1.00 0.00 S ATOM 0 H CYS A 87 -7.545 6.600 -7.464 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.385 4.269 -5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.473 7.057 -6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.930 5.921 -4.983 1.00 0.00 H new ATOM 1247 N SER A 88 -9.619 5.434 -8.587 1.00 0.00 N ATOM 1248 CA SER A 88 -10.549 5.262 -9.740 1.00 0.00 C ATOM 1249 C SER A 88 -10.144 4.125 -10.671 1.00 0.00 C ATOM 1250 O SER A 88 -10.977 3.678 -11.431 1.00 0.00 O ATOM 1251 CB SER A 88 -10.596 6.604 -10.512 1.00 0.00 C ATOM 1252 OG SER A 88 -11.375 6.363 -11.681 1.00 0.00 O ATOM 0 H SER A 88 -8.908 6.148 -8.745 1.00 0.00 H new ATOM 0 HA SER A 88 -11.532 4.992 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.043 7.389 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.592 6.937 -10.775 1.00 0.00 H new ATOM 0 HG SER A 88 -11.479 5.397 -11.812 1.00 0.00 H new ATOM 1258 N ARG A 89 -8.922 3.680 -10.629 1.00 0.00 N ATOM 1259 CA ARG A 89 -8.532 2.564 -11.536 1.00 0.00 C ATOM 1260 C ARG A 89 -7.797 1.439 -10.808 1.00 0.00 C ATOM 1261 O ARG A 89 -6.622 1.177 -10.977 1.00 0.00 O ATOM 1262 CB ARG A 89 -7.699 3.184 -12.704 1.00 0.00 C ATOM 1263 CG ARG A 89 -6.629 4.178 -12.235 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.924 5.588 -12.821 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.965 5.794 -13.961 1.00 0.00 N ATOM 1266 CZ ARG A 89 -4.908 6.476 -13.720 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -3.986 5.939 -13.056 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -4.743 7.665 -14.114 1.00 0.00 N ATOM 0 H ARG A 89 -8.186 4.032 -10.017 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.423 2.079 -11.936 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.217 2.381 -13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.375 3.690 -13.393 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.614 4.223 -11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.643 3.841 -12.554 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.956 5.655 -13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.792 6.358 -12.061 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.149 5.407 -14.887 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.089 4.981 -12.722 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.134 6.461 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.473 8.129 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.879 8.160 -13.892 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.569 0.826 -9.960 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.082 -0.333 -9.137 1.00 0.00 C ATOM 1284 C ILE A 90 -8.825 -1.619 -9.441 1.00 0.00 C ATOM 1285 O ILE A 90 -9.880 -1.646 -10.047 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.228 -0.011 -7.616 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.977 0.740 -7.215 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -8.408 -1.273 -6.710 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -7.013 1.065 -5.729 1.00 0.00 C ATOM 0 H ILE A 90 -9.543 1.080 -9.793 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.034 -0.482 -9.398 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.137 0.572 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.096 0.140 -7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.895 1.660 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.502 -0.963 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.306 -1.812 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.541 -1.925 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.108 1.605 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.885 1.683 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.073 0.140 -5.156 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.180 -2.644 -8.980 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.713 -4.015 -9.151 1.00 0.00 C ATOM 1303 C TYR A 91 -8.870 -4.613 -7.750 1.00 0.00 C ATOM 1304 O TYR A 91 -9.853 -5.306 -7.548 1.00 0.00 O ATOM 1305 CB TYR A 91 -7.702 -4.782 -10.016 1.00 0.00 C ATOM 1306 CG TYR A 91 -7.243 -3.848 -11.147 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.161 -3.334 -12.037 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -5.919 -3.501 -11.278 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.750 -2.483 -13.042 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -5.509 -2.653 -12.284 1.00 0.00 C ATOM 1311 CZ TYR A 91 -6.423 -2.142 -13.166 1.00 0.00 C ATOM 1312 OH TYR A 91 -6.006 -1.295 -14.168 1.00 0.00 O ATOM 1313 OXT TYR A 91 -8.011 -4.347 -6.921 1.00 0.00 O ATOM 0 H TYR A 91 -7.291 -2.589 -8.483 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.683 -4.053 -9.646 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.850 -5.101 -9.415 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -8.157 -5.683 -10.427 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -9.204 -3.598 -11.948 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.192 -3.898 -10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.474 -2.082 -13.736 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.465 -2.391 -12.377 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.037 -1.164 -14.103 1.00 0.00 H new