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 59 HIS : no HE2:sc= -1.72! C(o=-1.2!,f=-9.4!) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.541 K(o=-1.2,f=-2.4) USER MOD Set 2.1: A 16 TYR OH : rot -94:sc= 1.79 USER MOD Set 2.2: A 65 ASN : amide:sc= -6.15 K(o=-3,f=-3.8!) USER MOD Set 2.3: A 72 LYS NZ :NH3+ 148:sc= 1.35 (180deg=0.0719) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 149:sc= -0.0296 (180deg=-3.79!) USER MOD Set 3.2: A 37 GLN : amide:sc= -2.28 K(o=-2.3,f=-16!) USER MOD Single : A 5 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.6!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -172:sc= -2.16 (180deg=-2.44) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0.227 (180deg=-0.663!) USER MOD Single : A 15 THR OG1 : rot 152:sc= -1.64 USER MOD Single : A 18 GLN : amide:sc= -1.05 K(o=-1.1,f=-4.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.02! C(o=-4!,f=-6.1!) USER MOD Single : A 35 HIS : no HE2:sc= -9.23! C(o=-9.2!,f=-13!) USER MOD Single : A 36 ASN : amide:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : A 39 GLN : amide:sc= -1.43 K(o=-1.4,f=-12!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.000606 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.04 K(o=1,f=-0.0048) USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= -4! (180deg=-7.45!) USER MOD Single : A 62 ASN : amide:sc= -0.202 K(o=-0.2,f=-5.9!) USER MOD Single : A 64 ASN : amide:sc= 0.81 K(o=0.81,f=-4.7!) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00881 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.421 K(o=0.42,f=-0.17) USER MOD Single : A 76 ASN : amide:sc= 0.0979 K(o=0.098,f=-8.5!) USER MOD Single : A 79 TYR OH : rot -30:sc= -0.95 USER MOD Single : A 80 THR OG1 : rot 89:sc= -1.78! USER MOD Single : A 82 SER OG : rot 180:sc= -0.095 USER MOD Single : A 88 SER OG : rot -22:sc= 0.896 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.833 USER MOD ----------------------------------------------------------------- ATOM 36 N CYS A 3 -6.064 6.658 6.276 1.00 0.00 N ATOM 37 CA CYS A 3 -5.053 5.535 6.157 1.00 0.00 C ATOM 38 C CYS A 3 -4.515 5.028 7.532 1.00 0.00 C ATOM 39 O CYS A 3 -4.308 5.822 8.418 1.00 0.00 O ATOM 40 CB CYS A 3 -3.956 6.120 5.236 1.00 0.00 C ATOM 41 SG CYS A 3 -2.842 4.997 4.376 1.00 0.00 S ATOM 0 HA CYS A 3 -5.494 4.629 5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.452 6.732 4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.344 6.791 5.839 1.00 0.00 H new ATOM 46 N GLY A 4 -4.299 3.756 7.731 1.00 0.00 N ATOM 47 CA GLY A 4 -3.765 3.295 9.087 1.00 0.00 C ATOM 48 C GLY A 4 -2.909 2.042 8.946 1.00 0.00 C ATOM 49 O GLY A 4 -1.687 2.061 8.884 1.00 0.00 O ATOM 0 H GLY A 4 -4.458 3.018 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.175 4.093 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.599 3.095 9.760 1.00 0.00 H new ATOM 53 N GLN A 5 -3.633 0.945 8.897 1.00 0.00 N ATOM 54 CA GLN A 5 -2.958 -0.385 8.742 1.00 0.00 C ATOM 55 C GLN A 5 -2.035 -0.258 7.520 1.00 0.00 C ATOM 56 O GLN A 5 -1.005 -0.884 7.436 1.00 0.00 O ATOM 57 CB GLN A 5 -4.031 -1.498 8.522 1.00 0.00 C ATOM 58 CG GLN A 5 -4.490 -2.107 9.896 1.00 0.00 C ATOM 59 CD GLN A 5 -3.386 -2.965 10.528 1.00 0.00 C ATOM 60 OE1 GLN A 5 -2.341 -2.487 10.908 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.550 -4.241 10.672 1.00 0.00 N ATOM 0 H GLN A 5 -4.651 0.914 8.957 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.386 -0.659 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.891 -1.082 7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.621 -2.285 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.763 -1.302 10.579 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.383 -2.714 9.746 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.417 -4.682 10.364 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.812 -4.806 11.093 1.00 0.00 H new ATOM 70 N VAL A 6 -2.464 0.568 6.603 1.00 0.00 N ATOM 71 CA VAL A 6 -1.709 0.841 5.340 1.00 0.00 C ATOM 72 C VAL A 6 -0.248 1.050 5.737 1.00 0.00 C ATOM 73 O VAL A 6 0.594 0.220 5.470 1.00 0.00 O ATOM 74 CB VAL A 6 -2.269 2.122 4.667 1.00 0.00 C ATOM 75 CG1 VAL A 6 -1.431 2.370 3.419 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.747 1.922 4.254 1.00 0.00 C ATOM 0 H VAL A 6 -3.340 1.085 6.680 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.805 0.017 4.632 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.222 2.963 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.791 3.265 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.388 2.508 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.514 1.514 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.120 2.832 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.819 1.094 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.345 1.699 5.138 1.00 0.00 H new ATOM 86 N ASP A 7 -0.008 2.155 6.378 1.00 0.00 N ATOM 87 CA ASP A 7 1.355 2.504 6.842 1.00 0.00 C ATOM 88 C ASP A 7 1.947 1.259 7.522 1.00 0.00 C ATOM 89 O ASP A 7 3.034 0.811 7.209 1.00 0.00 O ATOM 90 CB ASP A 7 1.192 3.688 7.808 1.00 0.00 C ATOM 91 CG ASP A 7 2.496 3.977 8.561 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.957 3.121 9.293 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.046 5.046 8.397 1.00 0.00 O ATOM 0 H ASP A 7 -0.721 2.848 6.605 1.00 0.00 H new ATOM 0 HA ASP A 7 2.033 2.795 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.887 4.574 7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.398 3.471 8.522 1.00 0.00 H new ATOM 98 N SER A 8 1.149 0.746 8.420 1.00 0.00 N ATOM 99 CA SER A 8 1.593 -0.464 9.183 1.00 0.00 C ATOM 100 C SER A 8 2.090 -1.642 8.304 1.00 0.00 C ATOM 101 O SER A 8 3.044 -2.301 8.668 1.00 0.00 O ATOM 102 CB SER A 8 0.417 -0.890 10.079 1.00 0.00 C ATOM 103 OG SER A 8 1.032 -1.740 11.042 1.00 0.00 O ATOM 0 H SER A 8 0.223 1.103 8.658 1.00 0.00 H new ATOM 0 HA SER A 8 2.472 -0.193 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.063 -0.031 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.352 -1.415 9.512 1.00 0.00 H new ATOM 0 HG SER A 8 0.354 -2.067 11.670 1.00 0.00 H new ATOM 109 N LYS A 9 1.468 -1.900 7.176 1.00 0.00 N ATOM 110 CA LYS A 9 1.917 -3.042 6.291 1.00 0.00 C ATOM 111 C LYS A 9 2.498 -2.625 4.919 1.00 0.00 C ATOM 112 O LYS A 9 2.792 -3.464 4.085 1.00 0.00 O ATOM 113 CB LYS A 9 0.721 -3.937 6.037 1.00 0.00 C ATOM 114 CG LYS A 9 -0.268 -3.962 7.205 1.00 0.00 C ATOM 115 CD LYS A 9 0.400 -4.385 8.514 1.00 0.00 C ATOM 116 CE LYS A 9 -0.562 -5.360 9.151 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.709 -6.481 8.166 1.00 0.00 N ATOM 0 H LYS A 9 0.668 -1.373 6.824 1.00 0.00 H new ATOM 0 HA LYS A 9 2.727 -3.537 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.205 -3.598 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.069 -4.951 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.710 -2.973 7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.083 -4.649 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.368 -4.850 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.577 -3.526 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.178 -5.723 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.523 -4.887 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.888 -7.370 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.506 -6.281 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.165 -6.571 7.610 1.00 0.00 H new ATOM 131 N MET A 10 2.627 -1.345 4.751 1.00 0.00 N ATOM 132 CA MET A 10 3.157 -0.734 3.506 1.00 0.00 C ATOM 133 C MET A 10 4.422 0.062 3.778 1.00 0.00 C ATOM 134 O MET A 10 5.243 0.133 2.895 1.00 0.00 O ATOM 135 CB MET A 10 2.085 0.178 2.932 1.00 0.00 C ATOM 136 CG MET A 10 0.687 -0.576 2.868 1.00 0.00 C ATOM 137 SD MET A 10 0.157 -1.529 1.426 1.00 0.00 S ATOM 138 CE MET A 10 1.748 -2.190 0.886 1.00 0.00 C ATOM 0 H MET A 10 2.373 -0.662 5.465 1.00 0.00 H new ATOM 0 HA MET A 10 3.411 -1.523 2.798 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.994 1.073 3.547 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.374 0.505 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.663 -1.258 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.081 0.178 3.042 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.628 -2.687 -0.076 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.465 -1.375 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.113 -2.907 1.622 1.00 0.00 H new ATOM 148 N LYS A 11 4.557 0.647 4.944 1.00 0.00 N ATOM 149 CA LYS A 11 5.770 1.436 5.286 1.00 0.00 C ATOM 150 C LYS A 11 7.055 0.913 4.609 1.00 0.00 C ATOM 151 O LYS A 11 7.584 1.649 3.809 1.00 0.00 O ATOM 152 CB LYS A 11 5.879 1.424 6.823 1.00 0.00 C ATOM 153 CG LYS A 11 7.213 2.052 7.260 1.00 0.00 C ATOM 154 CD LYS A 11 7.250 3.572 6.904 1.00 0.00 C ATOM 155 CE LYS A 11 5.923 4.303 7.183 1.00 0.00 C ATOM 156 NZ LYS A 11 5.487 4.211 8.608 1.00 0.00 N ATOM 0 H LYS A 11 3.858 0.606 5.686 1.00 0.00 H new ATOM 0 HA LYS A 11 5.669 2.452 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.047 1.977 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.811 0.401 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.348 1.921 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.040 1.538 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.046 4.051 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.502 3.684 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.030 5.353 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.145 3.885 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.699 4.869 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.177 3.240 8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.282 4.460 9.231 1.00 0.00 H new ATOM 170 N PRO A 12 7.502 -0.292 4.913 1.00 0.00 N ATOM 171 CA PRO A 12 8.725 -0.886 4.292 1.00 0.00 C ATOM 172 C PRO A 12 8.684 -0.883 2.750 1.00 0.00 C ATOM 173 O PRO A 12 9.701 -0.876 2.082 1.00 0.00 O ATOM 174 CB PRO A 12 8.792 -2.283 4.906 1.00 0.00 C ATOM 175 CG PRO A 12 7.307 -2.563 5.250 1.00 0.00 C ATOM 176 CD PRO A 12 6.867 -1.255 5.866 1.00 0.00 C ATOM 0 HA PRO A 12 9.625 -0.307 4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.193 -3.016 4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.427 -2.308 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.724 -2.811 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.201 -3.396 5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.782 -1.154 5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.230 -1.132 6.886 1.00 0.00 H new ATOM 184 N CYS A 13 7.492 -0.872 2.225 1.00 0.00 N ATOM 185 CA CYS A 13 7.353 -0.877 0.728 1.00 0.00 C ATOM 186 C CYS A 13 7.296 0.575 0.229 1.00 0.00 C ATOM 187 O CYS A 13 7.735 0.914 -0.853 1.00 0.00 O ATOM 188 CB CYS A 13 6.086 -1.621 0.358 1.00 0.00 C ATOM 189 SG CYS A 13 5.691 -3.144 1.231 1.00 0.00 S ATOM 0 H CYS A 13 6.617 -0.860 2.750 1.00 0.00 H new ATOM 0 HA CYS A 13 8.204 -1.375 0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.249 -0.936 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.138 -1.854 -0.706 1.00 0.00 H new ATOM 194 N LEU A 14 6.740 1.410 1.053 1.00 0.00 N ATOM 195 CA LEU A 14 6.618 2.858 0.732 1.00 0.00 C ATOM 196 C LEU A 14 8.088 3.276 0.672 1.00 0.00 C ATOM 197 O LEU A 14 8.563 3.725 -0.352 1.00 0.00 O ATOM 198 CB LEU A 14 5.862 3.538 1.879 1.00 0.00 C ATOM 199 CG LEU A 14 5.563 5.022 1.644 1.00 0.00 C ATOM 200 CD1 LEU A 14 6.832 5.872 1.473 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.665 5.139 0.438 1.00 0.00 C ATOM 0 H LEU A 14 6.354 1.145 1.959 1.00 0.00 H new ATOM 0 HA LEU A 14 6.076 3.110 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.922 3.011 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.446 3.437 2.794 1.00 0.00 H new ATOM 0 HG LEU A 14 5.066 5.417 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.553 6.913 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.444 5.797 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.400 5.510 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.439 6.189 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.168 4.717 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.738 4.596 0.621 1.00 0.00 H new ATOM 213 N THR A 15 8.747 3.086 1.797 1.00 0.00 N ATOM 214 CA THR A 15 10.202 3.413 1.968 1.00 0.00 C ATOM 215 C THR A 15 10.846 2.860 0.717 1.00 0.00 C ATOM 216 O THR A 15 11.398 3.600 -0.074 1.00 0.00 O ATOM 217 CB THR A 15 10.782 2.714 3.249 1.00 0.00 C ATOM 218 OG1 THR A 15 10.297 1.384 3.207 1.00 0.00 O ATOM 219 CG2 THR A 15 10.190 3.250 4.541 1.00 0.00 C ATOM 0 H THR A 15 8.314 2.701 2.637 1.00 0.00 H new ATOM 0 HA THR A 15 10.382 4.480 2.098 1.00 0.00 H new ATOM 0 HB THR A 15 11.863 2.852 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.929 0.791 3.665 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.632 2.726 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.401 4.316 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.111 3.093 4.540 1.00 0.00 H new ATOM 227 N TYR A 16 10.743 1.567 0.581 1.00 0.00 N ATOM 228 CA TYR A 16 11.317 0.879 -0.608 1.00 0.00 C ATOM 229 C TYR A 16 11.177 1.715 -1.906 1.00 0.00 C ATOM 230 O TYR A 16 12.159 2.101 -2.512 1.00 0.00 O ATOM 231 CB TYR A 16 10.587 -0.463 -0.746 1.00 0.00 C ATOM 232 CG TYR A 16 11.114 -1.307 -1.893 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.342 -1.921 -1.799 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.361 -1.467 -3.032 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.805 -2.693 -2.841 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.833 -2.237 -4.065 1.00 0.00 C ATOM 237 CZ TYR A 16 12.047 -2.846 -3.972 1.00 0.00 C ATOM 238 OH TYR A 16 12.504 -3.599 -5.023 1.00 0.00 O ATOM 0 H TYR A 16 10.281 0.952 1.250 1.00 0.00 H new ATOM 0 HA TYR A 16 12.388 0.737 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.685 -1.022 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.523 -0.279 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.942 -1.798 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.397 -0.986 -3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.767 -3.178 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.238 -2.361 -4.958 1.00 0.00 H new ATOM 0 HH TYR A 16 12.950 -3.017 -5.673 1.00 0.00 H new ATOM 248 N VAL A 17 9.968 2.020 -2.320 1.00 0.00 N ATOM 249 CA VAL A 17 9.826 2.810 -3.586 1.00 0.00 C ATOM 250 C VAL A 17 10.281 4.252 -3.506 1.00 0.00 C ATOM 251 O VAL A 17 10.629 4.744 -4.557 1.00 0.00 O ATOM 252 CB VAL A 17 8.345 2.727 -4.090 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.907 1.271 -3.990 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.314 3.623 -3.439 1.00 0.00 C ATOM 0 H VAL A 17 9.098 1.765 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 17 10.508 2.348 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 17 8.374 3.114 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.877 1.176 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.555 0.653 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.975 0.941 -2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.340 3.449 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.260 3.401 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.599 4.666 -3.578 1.00 0.00 H new ATOM 264 N GLN A 18 10.271 4.915 -2.375 1.00 0.00 N ATOM 265 CA GLN A 18 10.764 6.328 -2.389 1.00 0.00 C ATOM 266 C GLN A 18 12.303 6.289 -2.291 1.00 0.00 C ATOM 267 O GLN A 18 12.968 7.257 -2.600 1.00 0.00 O ATOM 268 CB GLN A 18 10.173 7.110 -1.200 1.00 0.00 C ATOM 269 CG GLN A 18 10.303 6.332 0.142 1.00 0.00 C ATOM 270 CD GLN A 18 9.953 7.178 1.366 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.873 6.699 2.478 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.730 8.444 1.231 1.00 0.00 N ATOM 0 H GLN A 18 9.955 4.556 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 18 10.455 6.830 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.681 8.070 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.122 7.322 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.650 5.459 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.324 5.963 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.789 8.877 0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.495 9.010 2.046 1.00 0.00 H new ATOM 281 N GLY A 19 12.794 5.159 -1.838 1.00 0.00 N ATOM 282 CA GLY A 19 14.272 4.899 -1.676 1.00 0.00 C ATOM 283 C GLY A 19 14.783 4.857 -0.232 1.00 0.00 C ATOM 284 O GLY A 19 15.956 5.052 0.014 1.00 0.00 O ATOM 0 H GLY A 19 12.209 4.371 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.510 3.949 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.820 5.673 -2.214 1.00 0.00 H new ATOM 288 N GLY A 20 13.887 4.594 0.673 1.00 0.00 N ATOM 289 CA GLY A 20 14.223 4.521 2.138 1.00 0.00 C ATOM 290 C GLY A 20 14.235 3.088 2.687 1.00 0.00 C ATOM 291 O GLY A 20 14.324 2.136 1.936 1.00 0.00 O ATOM 0 H GLY A 20 12.904 4.420 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.201 4.974 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.499 5.112 2.700 1.00 0.00 H new ATOM 295 N PRO A 21 14.152 2.944 3.994 1.00 0.00 N ATOM 296 CA PRO A 21 14.181 1.609 4.679 1.00 0.00 C ATOM 297 C PRO A 21 13.236 0.506 4.121 1.00 0.00 C ATOM 298 O PRO A 21 12.248 0.168 4.740 1.00 0.00 O ATOM 299 CB PRO A 21 13.903 1.968 6.157 1.00 0.00 C ATOM 300 CG PRO A 21 14.519 3.380 6.280 1.00 0.00 C ATOM 301 CD PRO A 21 14.035 4.059 4.985 1.00 0.00 C ATOM 0 HA PRO A 21 15.140 1.118 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.836 1.970 6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.371 1.260 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.167 3.902 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.607 3.346 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.011 4.423 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.655 4.913 4.715 1.00 0.00 H new ATOM 309 N GLY A 22 13.518 -0.022 2.962 1.00 0.00 N ATOM 310 CA GLY A 22 12.670 -1.107 2.339 1.00 0.00 C ATOM 311 C GLY A 22 13.531 -2.299 1.860 1.00 0.00 C ATOM 312 O GLY A 22 14.741 -2.243 1.962 1.00 0.00 O ATOM 0 H GLY A 22 14.321 0.254 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.935 -1.457 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.115 -0.696 1.496 1.00 0.00 H new ATOM 316 N PRO A 23 12.934 -3.358 1.360 1.00 0.00 N ATOM 317 CA PRO A 23 11.538 -3.812 1.655 1.00 0.00 C ATOM 318 C PRO A 23 11.536 -4.788 2.859 1.00 0.00 C ATOM 319 O PRO A 23 10.519 -5.026 3.486 1.00 0.00 O ATOM 320 CB PRO A 23 11.132 -4.459 0.367 1.00 0.00 C ATOM 321 CG PRO A 23 12.423 -5.275 0.047 1.00 0.00 C ATOM 322 CD PRO A 23 13.585 -4.272 0.372 1.00 0.00 C ATOM 0 HA PRO A 23 10.849 -3.020 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.255 -5.096 0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.898 -3.730 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.489 -6.176 0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.448 -5.593 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.455 -4.777 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.925 -3.739 -0.516 1.00 0.00 H new ATOM 330 N SER A 24 12.709 -5.303 3.122 1.00 0.00 N ATOM 331 CA SER A 24 12.939 -6.279 4.237 1.00 0.00 C ATOM 332 C SER A 24 11.862 -7.412 4.226 1.00 0.00 C ATOM 333 O SER A 24 11.451 -7.815 3.155 1.00 0.00 O ATOM 334 CB SER A 24 12.956 -5.418 5.527 1.00 0.00 C ATOM 335 OG SER A 24 14.073 -4.557 5.299 1.00 0.00 O ATOM 0 H SER A 24 13.550 -5.080 2.590 1.00 0.00 H new ATOM 0 HA SER A 24 13.879 -6.823 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.030 -4.858 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.087 -6.027 6.422 1.00 0.00 H new ATOM 0 HG SER A 24 14.183 -3.954 6.064 1.00 0.00 H new ATOM 341 N GLY A 25 11.420 -7.921 5.350 1.00 0.00 N ATOM 342 CA GLY A 25 10.371 -9.026 5.349 1.00 0.00 C ATOM 343 C GLY A 25 8.995 -8.396 5.552 1.00 0.00 C ATOM 344 O GLY A 25 7.972 -8.850 5.064 1.00 0.00 O ATOM 0 H GLY A 25 11.732 -7.628 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.400 -9.574 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.578 -9.744 6.142 1.00 0.00 H new ATOM 348 N GLU A 26 9.079 -7.338 6.307 1.00 0.00 N ATOM 349 CA GLU A 26 7.930 -6.491 6.692 1.00 0.00 C ATOM 350 C GLU A 26 7.200 -6.067 5.423 1.00 0.00 C ATOM 351 O GLU A 26 5.988 -6.180 5.415 1.00 0.00 O ATOM 352 CB GLU A 26 8.477 -5.271 7.549 1.00 0.00 C ATOM 353 CG GLU A 26 9.864 -4.667 7.091 1.00 0.00 C ATOM 354 CD GLU A 26 11.074 -5.261 7.835 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.199 -6.471 7.768 1.00 0.00 O ATOM 356 OE2 GLU A 26 11.793 -4.459 8.400 1.00 0.00 O ATOM 0 H GLU A 26 9.964 -7.011 6.695 1.00 0.00 H new ATOM 0 HA GLU A 26 7.209 -7.022 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.732 -4.475 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.569 -5.594 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.988 -4.835 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.849 -3.588 7.244 1.00 0.00 H new ATOM 363 N CYS A 27 7.887 -5.601 4.393 1.00 0.00 N ATOM 364 CA CYS A 27 7.100 -5.217 3.179 1.00 0.00 C ATOM 365 C CYS A 27 6.318 -6.431 2.697 1.00 0.00 C ATOM 366 O CYS A 27 5.122 -6.472 2.838 1.00 0.00 O ATOM 367 CB CYS A 27 7.999 -4.777 2.057 1.00 0.00 C ATOM 368 SG CYS A 27 7.071 -4.449 0.543 1.00 0.00 S ATOM 0 H CYS A 27 8.898 -5.477 4.344 1.00 0.00 H new ATOM 0 HA CYS A 27 6.440 -4.393 3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.538 -3.878 2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.746 -5.548 1.866 1.00 0.00 H new ATOM 373 N CYS A 28 6.978 -7.398 2.146 1.00 0.00 N ATOM 374 CA CYS A 28 6.267 -8.608 1.664 1.00 0.00 C ATOM 375 C CYS A 28 5.134 -9.125 2.554 1.00 0.00 C ATOM 376 O CYS A 28 4.008 -9.220 2.096 1.00 0.00 O ATOM 377 CB CYS A 28 7.353 -9.650 1.444 1.00 0.00 C ATOM 378 SG CYS A 28 8.521 -9.226 0.132 1.00 0.00 S ATOM 0 H CYS A 28 7.988 -7.405 2.006 1.00 0.00 H new ATOM 0 HA CYS A 28 5.724 -8.360 0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.903 -9.790 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.884 -10.604 1.205 1.00 0.00 H new ATOM 383 N ASN A 29 5.422 -9.422 3.799 1.00 0.00 N ATOM 384 CA ASN A 29 4.306 -9.935 4.648 1.00 0.00 C ATOM 385 C ASN A 29 3.244 -8.834 4.732 1.00 0.00 C ATOM 386 O ASN A 29 2.066 -9.103 4.647 1.00 0.00 O ATOM 387 CB ASN A 29 4.881 -10.320 6.051 1.00 0.00 C ATOM 388 CG ASN A 29 4.976 -9.181 7.046 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.024 -8.488 7.323 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.087 -8.925 7.640 1.00 0.00 N ATOM 0 H ASN A 29 6.335 -9.337 4.246 1.00 0.00 H new ATOM 0 HA ASN A 29 3.844 -10.829 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.256 -11.104 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.875 -10.745 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.140 -8.162 8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.915 -9.485 7.436 1.00 0.00 H new ATOM 397 N GLY A 30 3.699 -7.618 4.890 1.00 0.00 N ATOM 398 CA GLY A 30 2.768 -6.465 4.985 1.00 0.00 C ATOM 399 C GLY A 30 1.864 -6.420 3.757 1.00 0.00 C ATOM 400 O GLY A 30 0.676 -6.619 3.866 1.00 0.00 O ATOM 0 H GLY A 30 4.688 -7.377 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.164 -6.549 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.333 -5.536 5.065 1.00 0.00 H new ATOM 404 N VAL A 31 2.471 -6.164 2.634 1.00 0.00 N ATOM 405 CA VAL A 31 1.760 -6.083 1.324 1.00 0.00 C ATOM 406 C VAL A 31 0.828 -7.295 1.211 1.00 0.00 C ATOM 407 O VAL A 31 -0.318 -7.102 0.868 1.00 0.00 O ATOM 408 CB VAL A 31 2.746 -6.125 0.117 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.029 -5.591 -1.129 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.860 -5.132 0.243 1.00 0.00 C ATOM 0 H VAL A 31 3.476 -6.000 2.567 1.00 0.00 H new ATOM 0 HA VAL A 31 1.217 -5.138 1.292 1.00 0.00 H new ATOM 0 HB VAL A 31 3.099 -7.155 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.710 -5.616 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.159 -6.212 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.707 -4.565 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.514 -5.207 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.446 -4.125 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.432 -5.340 1.147 1.00 0.00 H new ATOM 420 N ARG A 32 1.293 -8.500 1.478 1.00 0.00 N ATOM 421 CA ARG A 32 0.370 -9.686 1.373 1.00 0.00 C ATOM 422 C ARG A 32 -0.792 -9.473 2.392 1.00 0.00 C ATOM 423 O ARG A 32 -1.943 -9.427 1.989 1.00 0.00 O ATOM 424 CB ARG A 32 1.192 -10.980 1.687 1.00 0.00 C ATOM 425 CG ARG A 32 0.944 -12.109 0.616 1.00 0.00 C ATOM 426 CD ARG A 32 -0.551 -12.496 0.504 1.00 0.00 C ATOM 427 NE ARG A 32 -0.639 -13.588 -0.537 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.387 -14.621 -0.379 1.00 0.00 C ATOM 429 NH1 ARG A 32 -2.610 -14.430 -0.090 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.909 -15.794 -0.516 1.00 0.00 N ATOM 0 H ARG A 32 2.251 -8.711 1.758 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.055 -9.791 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.254 -10.737 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.921 -11.351 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.303 -11.770 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.526 -12.992 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.934 -12.844 1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.153 -11.635 0.214 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.088 -13.503 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.968 -13.480 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.233 -15.227 0.043 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.075 -15.919 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.510 -16.608 -0.389 1.00 0.00 H new ATOM 444 N ASP A 33 -0.494 -9.349 3.667 1.00 0.00 N ATOM 445 CA ASP A 33 -1.571 -9.130 4.694 1.00 0.00 C ATOM 446 C ASP A 33 -2.565 -8.114 4.142 1.00 0.00 C ATOM 447 O ASP A 33 -3.741 -8.391 4.012 1.00 0.00 O ATOM 448 CB ASP A 33 -0.928 -8.614 5.967 1.00 0.00 C ATOM 449 CG ASP A 33 -1.231 -9.494 7.166 1.00 0.00 C ATOM 450 OD1 ASP A 33 -1.110 -10.697 7.047 1.00 0.00 O ATOM 451 OD2 ASP A 33 -1.575 -8.872 8.158 1.00 0.00 O ATOM 0 H ASP A 33 0.453 -9.390 4.043 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.097 -10.058 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.151 -8.554 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.281 -7.602 6.164 1.00 0.00 H new ATOM 456 N LEU A 34 -2.020 -6.965 3.836 1.00 0.00 N ATOM 457 CA LEU A 34 -2.760 -5.812 3.271 1.00 0.00 C ATOM 458 C LEU A 34 -3.622 -6.419 2.167 1.00 0.00 C ATOM 459 O LEU A 34 -4.826 -6.382 2.252 1.00 0.00 O ATOM 460 CB LEU A 34 -1.724 -4.779 2.707 1.00 0.00 C ATOM 461 CG LEU A 34 -1.692 -3.333 3.348 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.608 -2.374 2.589 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.259 -3.275 4.750 1.00 0.00 C ATOM 0 H LEU A 34 -1.026 -6.777 3.967 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.375 -5.278 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.729 -5.213 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.912 -4.667 1.639 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.635 -3.069 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.566 -1.388 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.281 -2.302 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.632 -2.747 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.203 -2.252 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.299 -3.600 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.683 -3.931 5.403 1.00 0.00 H new ATOM 475 N HIS A 35 -3.044 -7.000 1.151 1.00 0.00 N ATOM 476 CA HIS A 35 -3.879 -7.579 0.073 1.00 0.00 C ATOM 477 C HIS A 35 -4.989 -8.497 0.537 1.00 0.00 C ATOM 478 O HIS A 35 -5.974 -8.603 -0.166 1.00 0.00 O ATOM 479 CB HIS A 35 -2.937 -8.310 -0.905 1.00 0.00 C ATOM 480 CG HIS A 35 -3.306 -7.698 -2.239 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.419 -7.890 -2.864 1.00 0.00 N ATOM 482 CD2 HIS A 35 -2.599 -6.822 -3.023 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.422 -7.187 -3.954 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.307 -6.509 -4.091 1.00 0.00 N ATOM 0 H HIS A 35 -2.036 -7.096 1.025 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.407 -6.754 -0.406 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.888 -8.143 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.099 -9.388 -0.895 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.176 -8.498 -2.551 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.612 -6.445 -2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.239 -7.163 -4.660 1.00 0.00 H new ATOM 492 N ASN A 36 -4.831 -9.123 1.671 1.00 0.00 N ATOM 493 CA ASN A 36 -5.908 -10.038 2.152 1.00 0.00 C ATOM 494 C ASN A 36 -6.833 -9.398 3.161 1.00 0.00 C ATOM 495 O ASN A 36 -7.834 -9.991 3.499 1.00 0.00 O ATOM 496 CB ASN A 36 -5.206 -11.306 2.702 1.00 0.00 C ATOM 497 CG ASN A 36 -4.802 -12.145 1.499 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.681 -12.206 1.045 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.708 -12.845 0.900 1.00 0.00 N ATOM 0 H ASN A 36 -4.016 -9.044 2.279 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.571 -10.296 1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.332 -11.037 3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.876 -11.865 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.461 -13.411 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.670 -12.832 1.239 1.00 0.00 H new ATOM 506 N GLN A 37 -6.494 -8.225 3.613 1.00 0.00 N ATOM 507 CA GLN A 37 -7.372 -7.504 4.591 1.00 0.00 C ATOM 508 C GLN A 37 -8.047 -6.355 3.782 1.00 0.00 C ATOM 509 O GLN A 37 -9.076 -5.858 4.182 1.00 0.00 O ATOM 510 CB GLN A 37 -6.586 -6.866 5.816 1.00 0.00 C ATOM 511 CG GLN A 37 -5.150 -6.360 5.528 1.00 0.00 C ATOM 512 CD GLN A 37 -4.078 -6.966 6.461 1.00 0.00 C ATOM 513 OE1 GLN A 37 -3.159 -6.306 6.906 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.102 -8.208 6.817 1.00 0.00 N ATOM 0 H GLN A 37 -5.644 -7.727 3.350 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.073 -8.217 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.172 -6.030 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.533 -7.609 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.893 -6.593 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.131 -5.274 5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.845 -8.821 6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.378 -8.576 7.434 1.00 0.00 H new ATOM 523 N ALA A 38 -7.443 -5.989 2.683 1.00 0.00 N ATOM 524 CA ALA A 38 -7.937 -4.915 1.766 1.00 0.00 C ATOM 525 C ALA A 38 -8.611 -5.635 0.541 1.00 0.00 C ATOM 526 O ALA A 38 -8.193 -5.523 -0.599 1.00 0.00 O ATOM 527 CB ALA A 38 -6.646 -4.053 1.419 1.00 0.00 C ATOM 0 H ALA A 38 -6.574 -6.418 2.365 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.693 -4.243 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.921 -3.240 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.227 -3.640 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.904 -4.688 0.935 1.00 0.00 H new ATOM 533 N GLN A 39 -9.648 -6.352 0.897 1.00 0.00 N ATOM 534 CA GLN A 39 -10.543 -7.188 0.004 1.00 0.00 C ATOM 535 C GLN A 39 -12.067 -6.801 -0.241 1.00 0.00 C ATOM 536 O GLN A 39 -12.681 -7.295 -1.171 1.00 0.00 O ATOM 537 CB GLN A 39 -10.443 -8.627 0.587 1.00 0.00 C ATOM 538 CG GLN A 39 -10.559 -8.634 2.172 1.00 0.00 C ATOM 539 CD GLN A 39 -11.638 -7.675 2.713 1.00 0.00 C ATOM 540 OE1 GLN A 39 -11.497 -6.474 2.779 1.00 0.00 O ATOM 541 NE2 GLN A 39 -12.770 -8.118 3.124 1.00 0.00 N ATOM 0 H GLN A 39 -9.943 -6.398 1.872 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.165 -7.026 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.233 -9.246 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.494 -9.074 0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.783 -9.647 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.594 -8.362 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.965 -9.119 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.475 -7.469 3.474 1.00 0.00 H new ATOM 550 N SER A 40 -12.657 -5.968 0.563 1.00 0.00 N ATOM 551 CA SER A 40 -14.102 -5.547 0.408 1.00 0.00 C ATOM 552 C SER A 40 -14.370 -4.117 0.910 1.00 0.00 C ATOM 553 O SER A 40 -15.067 -3.348 0.282 1.00 0.00 O ATOM 554 CB SER A 40 -15.023 -6.514 1.182 1.00 0.00 C ATOM 555 OG SER A 40 -14.900 -7.774 0.528 1.00 0.00 O ATOM 0 H SER A 40 -12.188 -5.536 1.359 1.00 0.00 H new ATOM 0 HA SER A 40 -14.314 -5.575 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.724 -6.585 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.056 -6.166 1.168 1.00 0.00 H new ATOM 0 HG SER A 40 -15.466 -8.434 0.980 1.00 0.00 H new ATOM 561 N SER A 41 -13.795 -3.814 2.045 1.00 0.00 N ATOM 562 CA SER A 41 -13.967 -2.456 2.671 1.00 0.00 C ATOM 563 C SER A 41 -12.666 -1.626 2.787 1.00 0.00 C ATOM 564 O SER A 41 -12.490 -0.631 2.110 1.00 0.00 O ATOM 565 CB SER A 41 -14.574 -2.629 4.090 1.00 0.00 C ATOM 566 OG SER A 41 -15.867 -3.202 3.894 1.00 0.00 O ATOM 0 H SER A 41 -13.205 -4.454 2.576 1.00 0.00 H new ATOM 0 HA SER A 41 -14.625 -1.900 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.949 -3.276 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.645 -1.671 4.604 1.00 0.00 H new ATOM 0 HG SER A 41 -16.300 -3.337 4.763 1.00 0.00 H new ATOM 572 N GLY A 42 -11.767 -2.058 3.640 1.00 0.00 N ATOM 573 CA GLY A 42 -10.464 -1.306 3.833 1.00 0.00 C ATOM 574 C GLY A 42 -9.466 -1.789 2.810 1.00 0.00 C ATOM 575 O GLY A 42 -8.379 -2.231 3.127 1.00 0.00 O ATOM 0 H GLY A 42 -11.870 -2.895 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.628 -0.234 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.080 -1.469 4.840 1.00 0.00 H new ATOM 579 N ASP A 43 -9.938 -1.630 1.619 1.00 0.00 N ATOM 580 CA ASP A 43 -9.209 -2.019 0.416 1.00 0.00 C ATOM 581 C ASP A 43 -8.151 -1.113 -0.146 1.00 0.00 C ATOM 582 O ASP A 43 -7.727 -0.066 0.317 1.00 0.00 O ATOM 583 CB ASP A 43 -10.311 -2.317 -0.641 1.00 0.00 C ATOM 584 CG ASP A 43 -10.889 -3.665 -0.296 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.440 -3.762 0.787 1.00 0.00 O ATOM 586 OD2 ASP A 43 -10.725 -4.514 -1.154 1.00 0.00 O ATOM 0 H ASP A 43 -10.853 -1.222 1.430 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.582 -2.864 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.084 -1.548 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.891 -2.322 -1.647 1.00 0.00 H new ATOM 591 N ARG A 44 -7.742 -1.651 -1.246 1.00 0.00 N ATOM 592 CA ARG A 44 -6.722 -1.018 -2.054 1.00 0.00 C ATOM 593 C ARG A 44 -7.246 0.401 -2.327 1.00 0.00 C ATOM 594 O ARG A 44 -6.437 1.273 -2.448 1.00 0.00 O ATOM 595 CB ARG A 44 -6.601 -1.960 -3.226 1.00 0.00 C ATOM 596 CG ARG A 44 -5.792 -3.174 -2.710 1.00 0.00 C ATOM 597 CD ARG A 44 -5.997 -4.350 -3.631 1.00 0.00 C ATOM 598 NE ARG A 44 -7.213 -5.072 -3.130 1.00 0.00 N ATOM 599 CZ ARG A 44 -8.222 -5.388 -3.851 1.00 0.00 C ATOM 600 NH1 ARG A 44 -8.103 -5.644 -5.108 1.00 0.00 N ATOM 601 NH2 ARG A 44 -9.339 -5.435 -3.232 1.00 0.00 N ATOM 0 H ARG A 44 -8.093 -2.533 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.722 -0.874 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.584 -2.268 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.094 -1.480 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.733 -2.922 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.109 -3.432 -1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.138 -4.018 -4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.126 -5.005 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.237 -5.330 -2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.187 -5.597 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.925 -5.893 -5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.378 -5.228 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.191 -5.679 -3.736 1.00 0.00 H new ATOM 615 N GLN A 45 -8.539 0.633 -2.411 1.00 0.00 N ATOM 616 CA GLN A 45 -9.044 2.035 -2.672 1.00 0.00 C ATOM 617 C GLN A 45 -8.447 3.016 -1.627 1.00 0.00 C ATOM 618 O GLN A 45 -8.063 4.133 -1.919 1.00 0.00 O ATOM 619 CB GLN A 45 -10.591 2.040 -2.584 1.00 0.00 C ATOM 620 CG GLN A 45 -11.194 0.896 -3.467 1.00 0.00 C ATOM 621 CD GLN A 45 -12.612 1.218 -3.938 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.510 1.628 -3.239 1.00 0.00 O ATOM 623 NE2 GLN A 45 -12.888 1.041 -5.183 1.00 0.00 N ATOM 0 H GLN A 45 -9.264 -0.077 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.735 2.357 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.903 1.910 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.977 3.004 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.553 0.732 -4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.204 -0.033 -2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.170 0.697 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.825 1.245 -5.532 1.00 0.00 H new ATOM 632 N THR A 46 -8.386 2.542 -0.416 1.00 0.00 N ATOM 633 CA THR A 46 -7.832 3.370 0.692 1.00 0.00 C ATOM 634 C THR A 46 -6.323 3.454 0.472 1.00 0.00 C ATOM 635 O THR A 46 -5.744 4.523 0.456 1.00 0.00 O ATOM 636 CB THR A 46 -8.176 2.683 2.015 1.00 0.00 C ATOM 637 OG1 THR A 46 -9.562 2.913 2.208 1.00 0.00 O ATOM 638 CG2 THR A 46 -7.589 3.457 3.132 1.00 0.00 C ATOM 0 H THR A 46 -8.698 1.610 -0.143 1.00 0.00 H new ATOM 0 HA THR A 46 -8.247 4.378 0.716 1.00 0.00 H new ATOM 0 HB THR A 46 -7.850 1.643 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.850 2.493 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.831 2.972 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.506 3.502 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.997 4.468 3.128 1.00 0.00 H new ATOM 646 N VAL A 47 -5.708 2.312 0.299 1.00 0.00 N ATOM 647 CA VAL A 47 -4.206 2.291 0.064 1.00 0.00 C ATOM 648 C VAL A 47 -3.763 3.216 -1.100 1.00 0.00 C ATOM 649 O VAL A 47 -2.776 3.913 -1.061 1.00 0.00 O ATOM 650 CB VAL A 47 -3.771 0.833 -0.232 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.111 0.659 -1.624 1.00 0.00 C ATOM 652 CG2 VAL A 47 -2.754 0.451 0.797 1.00 0.00 C ATOM 0 H VAL A 47 -6.161 1.398 0.307 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.723 2.670 0.965 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.666 0.211 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.831 -0.385 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.817 0.954 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.221 1.285 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.424 -0.573 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.899 1.124 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.197 0.522 1.790 1.00 0.00 H new ATOM 662 N CYS A 48 -4.555 3.133 -2.127 1.00 0.00 N ATOM 663 CA CYS A 48 -4.479 3.861 -3.433 1.00 0.00 C ATOM 664 C CYS A 48 -4.420 5.326 -2.998 1.00 0.00 C ATOM 665 O CYS A 48 -3.446 6.013 -3.249 1.00 0.00 O ATOM 666 CB CYS A 48 -5.761 3.319 -4.129 1.00 0.00 C ATOM 667 SG CYS A 48 -6.489 3.765 -5.719 1.00 0.00 S ATOM 0 H CYS A 48 -5.358 2.504 -2.106 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.653 3.739 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.606 2.242 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.558 3.486 -3.405 1.00 0.00 H new ATOM 672 N ASN A 49 -5.463 5.770 -2.351 1.00 0.00 N ATOM 673 CA ASN A 49 -5.493 7.181 -1.864 1.00 0.00 C ATOM 674 C ASN A 49 -4.206 7.500 -1.080 1.00 0.00 C ATOM 675 O ASN A 49 -3.651 8.578 -1.231 1.00 0.00 O ATOM 676 CB ASN A 49 -6.739 7.333 -0.991 1.00 0.00 C ATOM 677 CG ASN A 49 -7.867 7.690 -1.921 1.00 0.00 C ATOM 678 OD1 ASN A 49 -7.975 8.810 -2.358 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.742 6.819 -2.290 1.00 0.00 N ATOM 0 H ASN A 49 -6.295 5.219 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.538 7.885 -2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.954 6.408 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.595 8.109 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.491 7.087 -2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.686 5.861 -1.943 1.00 0.00 H new ATOM 686 N CYS A 50 -3.773 6.546 -0.276 1.00 0.00 N ATOM 687 CA CYS A 50 -2.534 6.797 0.505 1.00 0.00 C ATOM 688 C CYS A 50 -1.443 7.011 -0.569 1.00 0.00 C ATOM 689 O CYS A 50 -0.829 8.054 -0.524 1.00 0.00 O ATOM 690 CB CYS A 50 -2.284 5.565 1.429 1.00 0.00 C ATOM 691 SG CYS A 50 -3.609 4.962 2.506 1.00 0.00 S ATOM 0 H CYS A 50 -4.215 5.637 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.568 7.662 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.982 4.735 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.432 5.804 2.065 1.00 0.00 H new ATOM 696 N LEU A 51 -1.196 6.098 -1.483 1.00 0.00 N ATOM 697 CA LEU A 51 -0.136 6.341 -2.535 1.00 0.00 C ATOM 698 C LEU A 51 -0.265 7.769 -3.028 1.00 0.00 C ATOM 699 O LEU A 51 0.686 8.509 -3.001 1.00 0.00 O ATOM 700 CB LEU A 51 -0.290 5.422 -3.767 1.00 0.00 C ATOM 701 CG LEU A 51 0.338 4.026 -3.602 1.00 0.00 C ATOM 702 CD1 LEU A 51 1.472 3.993 -4.653 1.00 0.00 C ATOM 703 CD2 LEU A 51 0.916 3.783 -2.229 1.00 0.00 C ATOM 0 H LEU A 51 -1.675 5.200 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 51 0.828 6.138 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.351 5.306 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.163 5.911 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.419 3.252 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.980 3.030 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.050 4.136 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.186 4.790 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.341 2.780 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.696 4.517 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.129 3.876 -1.481 1.00 0.00 H new ATOM 715 N LYS A 52 -1.440 8.103 -3.467 1.00 0.00 N ATOM 716 CA LYS A 52 -1.689 9.480 -3.959 1.00 0.00 C ATOM 717 C LYS A 52 -1.196 10.589 -2.980 1.00 0.00 C ATOM 718 O LYS A 52 -0.292 11.357 -3.282 1.00 0.00 O ATOM 719 CB LYS A 52 -3.206 9.581 -4.197 1.00 0.00 C ATOM 720 CG LYS A 52 -3.571 9.388 -5.687 1.00 0.00 C ATOM 721 CD LYS A 52 -3.414 10.718 -6.503 1.00 0.00 C ATOM 722 CE LYS A 52 -1.968 11.149 -6.830 1.00 0.00 C ATOM 723 NZ LYS A 52 -1.265 11.816 -5.677 1.00 0.00 N ATOM 0 H LYS A 52 -2.245 7.477 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.120 9.652 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.718 8.828 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.562 10.554 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.933 8.618 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.598 9.032 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.960 10.612 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.893 11.522 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.396 10.273 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.984 11.832 -7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.972 12.774 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.911 11.875 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.426 11.260 -5.413 1.00 0.00 H new ATOM 737 N GLY A 53 -1.801 10.646 -1.821 1.00 0.00 N ATOM 738 CA GLY A 53 -1.433 11.682 -0.784 1.00 0.00 C ATOM 739 C GLY A 53 0.002 11.623 -0.304 1.00 0.00 C ATOM 740 O GLY A 53 0.589 12.647 -0.048 1.00 0.00 O ATOM 0 H GLY A 53 -2.548 10.012 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.622 12.672 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.093 11.565 0.075 1.00 0.00 H new ATOM 744 N ILE A 54 0.533 10.444 -0.190 1.00 0.00 N ATOM 745 CA ILE A 54 1.952 10.281 0.274 1.00 0.00 C ATOM 746 C ILE A 54 2.864 10.690 -0.883 1.00 0.00 C ATOM 747 O ILE A 54 3.755 11.500 -0.699 1.00 0.00 O ATOM 748 CB ILE A 54 2.096 8.790 0.701 1.00 0.00 C ATOM 749 CG1 ILE A 54 2.969 8.672 1.962 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.569 7.833 -0.403 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.484 8.781 1.764 1.00 0.00 C ATOM 0 H ILE A 54 0.048 9.571 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 54 2.227 10.905 1.124 1.00 0.00 H new ATOM 0 HB ILE A 54 1.083 8.457 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.661 9.448 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.756 7.713 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.636 6.821 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.858 7.850 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.549 8.147 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.985 8.682 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.822 7.989 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.725 9.750 1.328 1.00 0.00 H new ATOM 763 N ALA A 55 2.619 10.122 -2.050 1.00 0.00 N ATOM 764 CA ALA A 55 3.414 10.418 -3.304 1.00 0.00 C ATOM 765 C ALA A 55 3.642 11.915 -3.328 1.00 0.00 C ATOM 766 O ALA A 55 4.740 12.345 -3.620 1.00 0.00 O ATOM 767 CB ALA A 55 2.614 9.933 -4.491 1.00 0.00 C ATOM 0 H ALA A 55 1.874 9.440 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 55 4.380 9.914 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.166 10.135 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.441 8.861 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.657 10.453 -4.522 1.00 0.00 H new ATOM 773 N ARG A 56 2.566 12.601 -3.009 1.00 0.00 N ATOM 774 CA ARG A 56 2.536 14.110 -2.937 1.00 0.00 C ATOM 775 C ARG A 56 3.940 14.757 -2.969 1.00 0.00 C ATOM 776 O ARG A 56 4.268 15.519 -3.855 1.00 0.00 O ATOM 777 CB ARG A 56 1.838 14.408 -1.643 1.00 0.00 C ATOM 778 CG ARG A 56 2.075 15.806 -0.969 1.00 0.00 C ATOM 779 CD ARG A 56 2.308 15.486 0.536 1.00 0.00 C ATOM 780 NE ARG A 56 1.713 16.593 1.356 1.00 0.00 N ATOM 781 CZ ARG A 56 0.652 16.339 1.998 1.00 0.00 C ATOM 782 NH1 ARG A 56 0.722 15.775 3.125 1.00 0.00 N ATOM 783 NH2 ARG A 56 -0.441 16.658 1.459 1.00 0.00 N ATOM 0 H ARG A 56 1.672 12.163 -2.787 1.00 0.00 H new ATOM 0 HA ARG A 56 2.029 14.528 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.767 14.298 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.128 13.641 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.936 16.314 -1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.215 16.462 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.848 14.533 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.374 15.392 0.743 1.00 0.00 H new ATOM 0 HE ARG A 56 2.147 17.515 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.631 15.526 3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.130 15.568 3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.446 17.102 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.321 16.472 1.941 1.00 0.00 H new ATOM 797 N GLY A 57 4.709 14.419 -1.962 1.00 0.00 N ATOM 798 CA GLY A 57 6.116 14.956 -1.837 1.00 0.00 C ATOM 799 C GLY A 57 7.125 13.860 -1.470 1.00 0.00 C ATOM 800 O GLY A 57 8.242 14.131 -1.084 1.00 0.00 O ATOM 0 H GLY A 57 4.426 13.789 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.411 15.419 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.139 15.737 -1.077 1.00 0.00 H new ATOM 804 N ILE A 58 6.695 12.640 -1.621 1.00 0.00 N ATOM 805 CA ILE A 58 7.496 11.412 -1.314 1.00 0.00 C ATOM 806 C ILE A 58 9.024 11.326 -1.328 1.00 0.00 C ATOM 807 O ILE A 58 9.527 10.748 -0.383 1.00 0.00 O ATOM 808 CB ILE A 58 6.908 10.274 -2.229 1.00 0.00 C ATOM 809 CG1 ILE A 58 5.976 9.389 -1.323 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.989 9.461 -3.018 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.380 7.955 -1.276 1.00 0.00 C ATOM 0 H ILE A 58 5.759 12.429 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 58 7.373 11.357 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 58 6.326 10.718 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.978 9.792 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.953 9.458 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.500 8.698 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.549 10.135 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.671 8.984 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.693 7.404 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.351 7.536 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.392 7.875 -0.879 1.00 0.00 H new ATOM 823 N HIS A 59 9.673 11.856 -2.343 1.00 0.00 N ATOM 824 CA HIS A 59 11.185 11.856 -2.530 1.00 0.00 C ATOM 825 C HIS A 59 11.556 11.269 -3.927 1.00 0.00 C ATOM 826 O HIS A 59 11.608 12.005 -4.892 1.00 0.00 O ATOM 827 CB HIS A 59 11.878 10.989 -1.413 1.00 0.00 C ATOM 828 CG HIS A 59 13.408 10.973 -1.511 1.00 0.00 C ATOM 829 ND1 HIS A 59 14.131 11.002 -2.583 1.00 0.00 N ATOM 830 CD2 HIS A 59 14.334 10.915 -0.488 1.00 0.00 C ATOM 831 CE1 HIS A 59 15.386 10.964 -2.264 1.00 0.00 C ATOM 832 NE2 HIS A 59 15.558 10.911 -0.970 1.00 0.00 N ATOM 0 H HIS A 59 9.186 12.324 -3.108 1.00 0.00 H new ATOM 0 HA HIS A 59 11.535 12.886 -2.460 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.589 11.373 -0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.507 9.966 -1.476 1.00 0.00 H new ATOM 0 HD1 HIS A 59 13.768 11.048 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.087 10.878 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.193 10.975 -2.982 1.00 0.00 H new ATOM 840 N ASN A 60 11.817 9.978 -4.002 1.00 0.00 N ATOM 841 CA ASN A 60 12.179 9.329 -5.310 1.00 0.00 C ATOM 842 C ASN A 60 11.258 8.159 -5.700 1.00 0.00 C ATOM 843 O ASN A 60 11.700 7.035 -5.829 1.00 0.00 O ATOM 844 CB ASN A 60 13.657 8.852 -5.206 1.00 0.00 C ATOM 845 CG ASN A 60 14.561 9.949 -5.711 1.00 0.00 C ATOM 846 OD1 ASN A 60 14.545 11.058 -5.235 1.00 0.00 O ATOM 847 ND2 ASN A 60 15.377 9.701 -6.681 1.00 0.00 N ATOM 0 H ASN A 60 11.794 9.342 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 60 12.051 10.066 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.902 8.607 -4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.802 7.944 -5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.992 10.436 -7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.406 8.770 -7.097 1.00 0.00 H new ATOM 854 N LEU A 61 9.995 8.452 -5.879 1.00 0.00 N ATOM 855 CA LEU A 61 9.030 7.373 -6.263 1.00 0.00 C ATOM 856 C LEU A 61 9.533 6.547 -7.473 1.00 0.00 C ATOM 857 O LEU A 61 9.311 6.877 -8.623 1.00 0.00 O ATOM 858 CB LEU A 61 7.661 8.038 -6.572 1.00 0.00 C ATOM 859 CG LEU A 61 6.590 6.984 -6.960 1.00 0.00 C ATOM 860 CD1 LEU A 61 6.718 5.705 -6.090 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.194 7.620 -6.702 1.00 0.00 C ATOM 0 H LEU A 61 9.591 9.383 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 61 8.930 6.670 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.323 8.598 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.779 8.754 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 61 6.724 6.702 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.954 4.986 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.705 5.265 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.585 5.965 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.414 6.905 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.104 7.885 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.084 8.517 -7.312 1.00 0.00 H new ATOM 873 N ASN A 62 10.204 5.483 -7.156 1.00 0.00 N ATOM 874 CA ASN A 62 10.775 4.568 -8.167 1.00 0.00 C ATOM 875 C ASN A 62 9.753 3.485 -8.542 1.00 0.00 C ATOM 876 O ASN A 62 9.807 2.349 -8.099 1.00 0.00 O ATOM 877 CB ASN A 62 12.053 4.042 -7.505 1.00 0.00 C ATOM 878 CG ASN A 62 13.008 3.518 -8.563 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.725 2.545 -9.225 1.00 0.00 O ATOM 880 ND2 ASN A 62 14.144 4.109 -8.776 1.00 0.00 N ATOM 0 H ASN A 62 10.386 5.200 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 62 11.013 5.038 -9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.531 4.838 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.807 3.248 -6.800 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.779 3.752 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.402 4.931 -8.229 1.00 0.00 H new ATOM 887 N LEU A 63 8.811 3.913 -9.341 1.00 0.00 N ATOM 888 CA LEU A 63 7.737 2.980 -9.815 1.00 0.00 C ATOM 889 C LEU A 63 8.350 1.624 -10.176 1.00 0.00 C ATOM 890 O LEU A 63 7.822 0.590 -9.841 1.00 0.00 O ATOM 891 CB LEU A 63 7.045 3.644 -11.036 1.00 0.00 C ATOM 892 CG LEU A 63 6.064 2.728 -11.855 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.806 1.688 -12.745 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.129 1.965 -10.899 1.00 0.00 C ATOM 0 H LEU A 63 8.736 4.869 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 63 6.997 2.799 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.490 4.514 -10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.818 4.010 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 63 5.499 3.393 -12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.076 1.085 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.445 2.209 -13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.417 1.040 -12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.454 1.334 -11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.723 1.343 -10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.548 2.677 -10.313 1.00 0.00 H new ATOM 906 N ASN A 64 9.454 1.673 -10.871 1.00 0.00 N ATOM 907 CA ASN A 64 10.179 0.425 -11.292 1.00 0.00 C ATOM 908 C ASN A 64 10.306 -0.474 -10.036 1.00 0.00 C ATOM 909 O ASN A 64 9.846 -1.600 -9.994 1.00 0.00 O ATOM 910 CB ASN A 64 11.570 0.838 -11.837 1.00 0.00 C ATOM 911 CG ASN A 64 11.445 2.066 -12.726 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.048 3.134 -12.312 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.766 1.992 -13.969 1.00 0.00 N ATOM 0 H ASN A 64 9.898 2.540 -11.174 1.00 0.00 H new ATOM 0 HA ASN A 64 9.653 -0.122 -12.074 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.245 1.048 -11.008 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.006 0.014 -12.402 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.682 2.814 -14.567 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.105 1.111 -14.357 1.00 0.00 H new ATOM 920 N ASN A 65 10.937 0.070 -9.024 1.00 0.00 N ATOM 921 CA ASN A 65 11.136 -0.660 -7.743 1.00 0.00 C ATOM 922 C ASN A 65 9.764 -1.157 -7.253 1.00 0.00 C ATOM 923 O ASN A 65 9.564 -2.337 -7.036 1.00 0.00 O ATOM 924 CB ASN A 65 11.806 0.368 -6.812 1.00 0.00 C ATOM 925 CG ASN A 65 12.538 -0.228 -5.642 1.00 0.00 C ATOM 926 OD1 ASN A 65 13.298 -1.161 -5.778 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.366 0.267 -4.467 1.00 0.00 N ATOM 0 H ASN A 65 11.330 1.011 -9.038 1.00 0.00 H new ATOM 0 HA ASN A 65 11.764 -1.549 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.507 0.964 -7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.043 1.050 -6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.866 -0.127 -3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.730 1.053 -4.333 1.00 0.00 H new ATOM 934 N ALA A 66 8.849 -0.238 -7.108 1.00 0.00 N ATOM 935 CA ALA A 66 7.479 -0.605 -6.630 1.00 0.00 C ATOM 936 C ALA A 66 6.872 -1.795 -7.406 1.00 0.00 C ATOM 937 O ALA A 66 6.377 -2.744 -6.836 1.00 0.00 O ATOM 938 CB ALA A 66 6.595 0.616 -6.771 1.00 0.00 C ATOM 0 H ALA A 66 8.988 0.754 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 66 7.549 -0.925 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.588 0.377 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.999 1.429 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.560 0.921 -7.817 1.00 0.00 H new ATOM 944 N ALA A 67 6.927 -1.699 -8.706 1.00 0.00 N ATOM 945 CA ALA A 67 6.405 -2.739 -9.646 1.00 0.00 C ATOM 946 C ALA A 67 7.025 -4.105 -9.306 1.00 0.00 C ATOM 947 O ALA A 67 6.463 -5.151 -9.556 1.00 0.00 O ATOM 948 CB ALA A 67 6.759 -2.287 -11.074 1.00 0.00 C ATOM 0 H ALA A 67 7.336 -0.895 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 67 5.324 -2.850 -9.560 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.393 -3.023 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.294 -1.322 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.841 -2.195 -11.169 1.00 0.00 H new ATOM 954 N SER A 68 8.194 -4.060 -8.731 1.00 0.00 N ATOM 955 CA SER A 68 8.902 -5.307 -8.339 1.00 0.00 C ATOM 956 C SER A 68 8.357 -5.807 -7.000 1.00 0.00 C ATOM 957 O SER A 68 8.505 -6.984 -6.719 1.00 0.00 O ATOM 958 CB SER A 68 10.406 -5.034 -8.195 1.00 0.00 C ATOM 959 OG SER A 68 10.939 -6.256 -7.677 1.00 0.00 O ATOM 0 H SER A 68 8.695 -3.198 -8.514 1.00 0.00 H new ATOM 0 HA SER A 68 8.741 -6.061 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.857 -4.778 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.596 -4.199 -7.520 1.00 0.00 H new ATOM 0 HG SER A 68 11.907 -6.165 -7.556 1.00 0.00 H new ATOM 965 N ILE A 69 7.742 -4.953 -6.216 1.00 0.00 N ATOM 966 CA ILE A 69 7.215 -5.438 -4.897 1.00 0.00 C ATOM 967 C ILE A 69 6.290 -6.648 -5.105 1.00 0.00 C ATOM 968 O ILE A 69 6.560 -7.679 -4.532 1.00 0.00 O ATOM 969 CB ILE A 69 6.464 -4.256 -4.156 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.480 -3.311 -3.445 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.433 -4.837 -3.140 1.00 0.00 C ATOM 972 CD1 ILE A 69 6.800 -2.031 -3.071 1.00 0.00 C ATOM 0 H ILE A 69 7.584 -3.967 -6.423 1.00 0.00 H new ATOM 0 HA ILE A 69 8.046 -5.761 -4.270 1.00 0.00 H new ATOM 0 HB ILE A 69 5.926 -3.663 -4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.880 -3.795 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.324 -3.107 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.920 -4.019 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.704 -5.449 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.953 -5.450 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.512 -1.372 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.421 -1.544 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.971 -2.243 -2.396 1.00 0.00 H new ATOM 984 N PRO A 70 5.243 -6.559 -5.899 1.00 0.00 N ATOM 985 CA PRO A 70 4.319 -7.712 -6.135 1.00 0.00 C ATOM 986 C PRO A 70 5.027 -9.019 -6.433 1.00 0.00 C ATOM 987 O PRO A 70 4.715 -10.051 -5.868 1.00 0.00 O ATOM 988 CB PRO A 70 3.437 -7.227 -7.284 1.00 0.00 C ATOM 989 CG PRO A 70 3.379 -5.732 -7.046 1.00 0.00 C ATOM 990 CD PRO A 70 4.813 -5.363 -6.677 1.00 0.00 C ATOM 0 HA PRO A 70 3.747 -7.967 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.869 -7.467 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.447 -7.681 -7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.046 -5.198 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.683 -5.482 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.434 -5.203 -7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.861 -4.450 -6.084 1.00 0.00 H new ATOM 998 N SER A 71 5.970 -8.886 -7.320 1.00 0.00 N ATOM 999 CA SER A 71 6.786 -10.059 -7.768 1.00 0.00 C ATOM 1000 C SER A 71 7.671 -10.635 -6.670 1.00 0.00 C ATOM 1001 O SER A 71 7.723 -11.830 -6.467 1.00 0.00 O ATOM 1002 CB SER A 71 7.638 -9.606 -8.952 1.00 0.00 C ATOM 1003 OG SER A 71 6.648 -9.273 -9.919 1.00 0.00 O ATOM 0 H SER A 71 6.218 -8.002 -7.764 1.00 0.00 H new ATOM 0 HA SER A 71 6.106 -10.863 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.266 -8.751 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.302 -10.396 -9.303 1.00 0.00 H new ATOM 0 HG SER A 71 7.084 -8.961 -10.739 1.00 0.00 H new ATOM 1009 N LYS A 72 8.348 -9.751 -5.998 1.00 0.00 N ATOM 1010 CA LYS A 72 9.263 -10.146 -4.890 1.00 0.00 C ATOM 1011 C LYS A 72 8.509 -10.620 -3.623 1.00 0.00 C ATOM 1012 O LYS A 72 8.946 -11.511 -2.922 1.00 0.00 O ATOM 1013 CB LYS A 72 10.108 -8.901 -4.658 1.00 0.00 C ATOM 1014 CG LYS A 72 11.179 -9.116 -3.576 1.00 0.00 C ATOM 1015 CD LYS A 72 11.879 -7.759 -3.315 1.00 0.00 C ATOM 1016 CE LYS A 72 12.545 -7.226 -4.588 1.00 0.00 C ATOM 1017 NZ LYS A 72 13.340 -6.027 -4.185 1.00 0.00 N ATOM 0 H LYS A 72 8.306 -8.747 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 72 9.873 -11.013 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.591 -8.613 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.460 -8.074 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.724 -9.492 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.904 -9.862 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.150 -7.035 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.628 -7.878 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.188 -7.984 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.797 -6.961 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.182 -5.949 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.757 -5.172 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.635 -6.124 -3.192 1.00 0.00 H new ATOM 1031 N CYS A 73 7.393 -9.997 -3.383 1.00 0.00 N ATOM 1032 CA CYS A 73 6.522 -10.294 -2.207 1.00 0.00 C ATOM 1033 C CYS A 73 5.285 -11.205 -2.382 1.00 0.00 C ATOM 1034 O CYS A 73 4.297 -11.045 -1.692 1.00 0.00 O ATOM 1035 CB CYS A 73 6.129 -8.926 -1.694 1.00 0.00 C ATOM 1036 SG CYS A 73 7.468 -7.924 -1.004 1.00 0.00 S ATOM 0 H CYS A 73 7.029 -9.257 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 73 7.100 -10.918 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.671 -8.371 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.365 -9.053 -0.927 1.00 0.00 H new ATOM 1041 N ASN A 74 5.365 -12.137 -3.286 1.00 0.00 N ATOM 1042 CA ASN A 74 4.232 -13.108 -3.555 1.00 0.00 C ATOM 1043 C ASN A 74 2.821 -12.438 -3.488 1.00 0.00 C ATOM 1044 O ASN A 74 1.844 -13.010 -3.030 1.00 0.00 O ATOM 1045 CB ASN A 74 4.408 -14.264 -2.490 1.00 0.00 C ATOM 1046 CG ASN A 74 3.596 -15.548 -2.712 1.00 0.00 C ATOM 1047 OD1 ASN A 74 3.996 -16.611 -2.301 1.00 0.00 O ATOM 1048 ND2 ASN A 74 2.461 -15.596 -3.322 1.00 0.00 N ATOM 0 H ASN A 74 6.185 -12.283 -3.874 1.00 0.00 H new ATOM 0 HA ASN A 74 4.282 -13.493 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.464 -14.533 -2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.147 -13.864 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.975 -16.487 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.049 -14.743 -3.701 1.00 0.00 H new ATOM 1055 N VAL A 75 2.782 -11.221 -3.967 1.00 0.00 N ATOM 1056 CA VAL A 75 1.508 -10.420 -3.990 1.00 0.00 C ATOM 1057 C VAL A 75 1.403 -9.782 -5.399 1.00 0.00 C ATOM 1058 O VAL A 75 1.225 -8.596 -5.567 1.00 0.00 O ATOM 1059 CB VAL A 75 1.555 -9.348 -2.728 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.835 -8.532 -2.724 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.466 -8.280 -2.760 1.00 0.00 C ATOM 0 H VAL A 75 3.592 -10.735 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 75 0.603 -11.010 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 75 1.443 -10.002 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.824 -7.842 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.692 -9.200 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.909 -7.967 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.575 -7.624 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.557 -7.694 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.513 -8.758 -2.732 1.00 0.00 H new ATOM 1071 N ASN A 76 1.523 -10.627 -6.408 1.00 0.00 N ATOM 1072 CA ASN A 76 1.427 -10.141 -7.828 1.00 0.00 C ATOM 1073 C ASN A 76 0.029 -9.507 -7.996 1.00 0.00 C ATOM 1074 O ASN A 76 -0.094 -8.411 -8.493 1.00 0.00 O ATOM 1075 CB ASN A 76 1.643 -11.356 -8.833 1.00 0.00 C ATOM 1076 CG ASN A 76 0.858 -12.634 -8.511 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -0.078 -12.674 -7.749 1.00 0.00 O ATOM 1078 ND2 ASN A 76 1.174 -13.756 -9.060 1.00 0.00 N ATOM 0 H ASN A 76 1.683 -11.629 -6.307 1.00 0.00 H new ATOM 0 HA ASN A 76 2.198 -9.403 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.370 -11.027 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.705 -11.600 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.644 -14.599 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.954 -13.801 -9.715 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.936 -10.260 -7.542 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.413 -9.955 -7.540 1.00 0.00 C ATOM 1087 C VAL A 77 -2.917 -8.671 -8.288 1.00 0.00 C ATOM 1088 O VAL A 77 -3.659 -7.885 -7.739 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.736 -9.944 -6.045 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.121 -8.664 -5.450 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.249 -9.997 -5.763 1.00 0.00 C ATOM 0 H VAL A 77 -0.740 -11.171 -7.128 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.945 -10.697 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.315 -10.837 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.332 -8.622 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.042 -8.672 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.553 -7.791 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.419 -9.987 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.734 -9.132 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.666 -10.910 -6.188 1.00 0.00 H new ATOM 1101 N PRO A 78 -2.516 -8.509 -9.525 1.00 0.00 N ATOM 1102 CA PRO A 78 -2.148 -7.182 -10.120 1.00 0.00 C ATOM 1103 C PRO A 78 -2.908 -5.870 -9.753 1.00 0.00 C ATOM 1104 O PRO A 78 -3.228 -5.109 -10.647 1.00 0.00 O ATOM 1105 CB PRO A 78 -2.158 -7.512 -11.658 1.00 0.00 C ATOM 1106 CG PRO A 78 -2.915 -8.870 -11.756 1.00 0.00 C ATOM 1107 CD PRO A 78 -2.413 -9.609 -10.515 1.00 0.00 C ATOM 0 HA PRO A 78 -1.205 -6.859 -9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.663 -6.733 -12.229 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.146 -7.591 -12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.997 -8.735 -11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.674 -9.405 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.035 -10.466 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.393 -9.977 -10.629 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.183 -5.594 -8.495 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.912 -4.324 -8.148 1.00 0.00 C ATOM 1117 C TYR A 79 -3.140 -3.128 -8.721 1.00 0.00 C ATOM 1118 O TYR A 79 -1.940 -3.190 -8.879 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.068 -4.170 -6.559 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.869 -2.757 -6.019 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.753 -1.773 -6.365 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -2.821 -2.451 -5.195 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.602 -0.492 -5.897 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.676 -1.145 -4.725 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.567 -0.163 -5.075 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.429 1.129 -4.616 1.00 0.00 O ATOM 0 H TYR A 79 -2.938 -6.186 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.911 -4.359 -8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.062 -4.514 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.350 -4.831 -6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.582 -2.007 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.111 -3.214 -4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.315 0.267 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.848 -0.904 -4.075 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.793 1.752 -5.279 1.00 0.00 H new ATOM 1136 N THR A 80 -3.823 -2.072 -9.018 1.00 0.00 N ATOM 1137 CA THR A 80 -3.211 -0.827 -9.579 1.00 0.00 C ATOM 1138 C THR A 80 -1.692 -0.724 -9.875 1.00 0.00 C ATOM 1139 O THR A 80 -1.304 -0.499 -11.001 1.00 0.00 O ATOM 1140 CB THR A 80 -3.542 0.276 -8.646 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.961 0.271 -8.566 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.197 1.623 -9.225 1.00 0.00 C ATOM 0 H THR A 80 -4.833 -2.009 -8.892 1.00 0.00 H new ATOM 0 HA THR A 80 -3.639 -0.801 -10.581 1.00 0.00 H new ATOM 0 HB THR A 80 -3.007 0.132 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.246 -0.335 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.455 2.404 -8.509 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.129 1.665 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.757 1.777 -10.148 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.888 -0.894 -8.843 1.00 0.00 N ATOM 1151 CA ILE A 81 0.639 -0.809 -8.908 1.00 0.00 C ATOM 1152 C ILE A 81 1.159 0.306 -9.877 1.00 0.00 C ATOM 1153 O ILE A 81 2.034 0.144 -10.704 1.00 0.00 O ATOM 1154 CB ILE A 81 1.165 -2.268 -9.291 1.00 0.00 C ATOM 1155 CG1 ILE A 81 0.943 -3.282 -8.102 1.00 0.00 C ATOM 1156 CG2 ILE A 81 2.751 -2.321 -9.558 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.917 -3.057 -6.895 1.00 0.00 C ATOM 0 H ILE A 81 -1.236 -1.099 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 81 1.038 -0.504 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 81 0.605 -2.526 -10.190 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.085 -3.196 -7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.068 -4.299 -8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.043 -3.340 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.004 -1.654 -10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.282 -2.006 -8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.706 -3.790 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.947 -3.172 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.776 -2.052 -6.496 1.00 0.00 H new ATOM 1169 N SER A 82 0.576 1.477 -9.723 1.00 0.00 N ATOM 1170 CA SER A 82 0.974 2.655 -10.577 1.00 0.00 C ATOM 1171 C SER A 82 1.590 3.764 -9.692 1.00 0.00 C ATOM 1172 O SER A 82 1.408 3.765 -8.484 1.00 0.00 O ATOM 1173 CB SER A 82 -0.274 3.226 -11.314 1.00 0.00 C ATOM 1174 OG SER A 82 -0.016 2.942 -12.687 1.00 0.00 O ATOM 0 H SER A 82 -0.159 1.670 -9.043 1.00 0.00 H new ATOM 0 HA SER A 82 1.709 2.322 -11.310 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.193 2.750 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.386 4.296 -11.141 1.00 0.00 H new ATOM 0 HG SER A 82 -0.760 3.269 -13.234 1.00 0.00 H new ATOM 1180 N PRO A 83 2.303 4.687 -10.300 1.00 0.00 N ATOM 1181 CA PRO A 83 2.690 5.949 -9.605 1.00 0.00 C ATOM 1182 C PRO A 83 1.378 6.751 -9.430 1.00 0.00 C ATOM 1183 O PRO A 83 0.404 6.380 -10.051 1.00 0.00 O ATOM 1184 CB PRO A 83 3.724 6.565 -10.558 1.00 0.00 C ATOM 1185 CG PRO A 83 3.191 6.105 -11.950 1.00 0.00 C ATOM 1186 CD PRO A 83 2.798 4.634 -11.708 1.00 0.00 C ATOM 0 HA PRO A 83 3.132 5.874 -8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.762 7.651 -10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.731 6.195 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.338 6.702 -12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.954 6.196 -12.723 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.028 4.296 -12.401 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.646 3.959 -11.820 1.00 0.00 H new ATOM 1194 N ASP A 84 1.389 7.790 -8.635 1.00 0.00 N ATOM 1195 CA ASP A 84 0.181 8.655 -8.371 1.00 0.00 C ATOM 1196 C ASP A 84 -1.198 8.235 -8.980 1.00 0.00 C ATOM 1197 O ASP A 84 -1.893 9.021 -9.593 1.00 0.00 O ATOM 1198 CB ASP A 84 0.662 10.039 -8.833 1.00 0.00 C ATOM 1199 CG ASP A 84 1.598 10.544 -7.756 1.00 0.00 C ATOM 1200 OD1 ASP A 84 1.005 11.066 -6.829 1.00 0.00 O ATOM 1201 OD2 ASP A 84 2.792 10.364 -7.906 1.00 0.00 O ATOM 0 H ASP A 84 2.223 8.093 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.101 8.583 -7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.174 9.972 -9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.180 10.719 -8.967 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.502 6.984 -8.750 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.751 6.274 -9.206 1.00 0.00 C ATOM 1208 C ILE A 85 -4.085 7.058 -9.423 1.00 0.00 C ATOM 1209 O ILE A 85 -4.342 8.060 -8.789 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.930 5.047 -8.187 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -4.304 4.911 -7.486 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -1.816 4.929 -7.093 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -4.494 6.015 -6.435 1.00 0.00 C ATOM 0 H ILE A 85 -0.882 6.372 -8.219 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.573 6.003 -10.247 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.842 4.223 -8.895 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.102 4.967 -8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.379 3.933 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.024 4.071 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.847 4.797 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.801 5.837 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.466 5.898 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.708 5.941 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.442 6.990 -6.919 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.905 6.564 -10.320 1.00 0.00 N ATOM 1226 CA ASP A 86 -6.233 7.192 -10.659 1.00 0.00 C ATOM 1227 C ASP A 86 -7.435 6.477 -9.939 1.00 0.00 C ATOM 1228 O ASP A 86 -8.471 6.195 -10.518 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.407 7.147 -12.259 1.00 0.00 C ATOM 1230 CG ASP A 86 -5.325 6.490 -13.136 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -4.279 6.058 -12.686 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -5.622 6.423 -14.315 1.00 0.00 O ATOM 0 H ASP A 86 -4.704 5.718 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.243 8.222 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.347 6.636 -12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.520 8.176 -12.601 1.00 0.00 H new ATOM 1237 N CYS A 87 -7.233 6.217 -8.674 1.00 0.00 N ATOM 1238 CA CYS A 87 -8.220 5.529 -7.759 1.00 0.00 C ATOM 1239 C CYS A 87 -9.760 5.351 -8.009 1.00 0.00 C ATOM 1240 O CYS A 87 -10.588 5.632 -7.163 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.048 6.164 -6.367 1.00 0.00 C ATOM 1242 SG CYS A 87 -8.111 4.830 -5.154 1.00 0.00 S ATOM 0 H CYS A 87 -6.366 6.469 -8.200 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.925 4.497 -7.950 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.099 6.697 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.836 6.893 -6.177 1.00 0.00 H new ATOM 1247 N SER A 88 -10.112 4.884 -9.174 1.00 0.00 N ATOM 1248 CA SER A 88 -11.552 4.651 -9.537 1.00 0.00 C ATOM 1249 C SER A 88 -11.707 3.267 -10.187 1.00 0.00 C ATOM 1250 O SER A 88 -12.807 2.875 -10.521 1.00 0.00 O ATOM 1251 CB SER A 88 -12.028 5.764 -10.518 1.00 0.00 C ATOM 1252 OG SER A 88 -13.402 5.477 -10.797 1.00 0.00 O ATOM 0 H SER A 88 -9.450 4.646 -9.913 1.00 0.00 H new ATOM 0 HA SER A 88 -12.165 4.686 -8.636 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.918 6.752 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.434 5.760 -11.432 1.00 0.00 H new ATOM 0 HG SER A 88 -13.581 4.530 -10.619 1.00 0.00 H new ATOM 1258 N ARG A 89 -10.622 2.549 -10.347 1.00 0.00 N ATOM 1259 CA ARG A 89 -10.738 1.197 -10.984 1.00 0.00 C ATOM 1260 C ARG A 89 -9.571 0.285 -10.534 1.00 0.00 C ATOM 1261 O ARG A 89 -8.545 0.136 -11.168 1.00 0.00 O ATOM 1262 CB ARG A 89 -10.819 1.449 -12.559 1.00 0.00 C ATOM 1263 CG ARG A 89 -9.469 1.575 -13.285 1.00 0.00 C ATOM 1264 CD ARG A 89 -8.549 2.606 -12.626 1.00 0.00 C ATOM 1265 NE ARG A 89 -7.233 2.431 -13.313 1.00 0.00 N ATOM 1266 CZ ARG A 89 -6.569 3.443 -13.732 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -7.102 4.216 -14.583 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -5.410 3.647 -13.282 1.00 0.00 N ATOM 0 H ARG A 89 -9.681 2.830 -10.072 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.633 0.658 -10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.379 0.630 -13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.391 2.360 -12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.973 0.604 -13.297 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.642 1.857 -14.323 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.932 3.618 -12.755 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.463 2.432 -11.553 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.858 1.492 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.045 4.027 -14.923 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.588 5.027 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.011 3.010 -12.592 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.870 4.449 -13.607 1.00 0.00 H new ATOM 1282 N ILE A 90 -9.769 -0.292 -9.395 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.722 -1.202 -8.855 1.00 0.00 C ATOM 1284 C ILE A 90 -9.024 -2.624 -9.215 1.00 0.00 C ATOM 1285 O ILE A 90 -10.114 -2.972 -9.633 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.686 -1.006 -7.353 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -7.646 0.080 -7.123 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -8.410 -2.313 -6.533 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -7.652 0.429 -5.667 1.00 0.00 C ATOM 0 H ILE A 90 -10.599 -0.180 -8.814 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.747 -0.971 -9.284 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.668 -0.713 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.659 -0.268 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.874 0.959 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.402 -2.080 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.193 -3.043 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.443 -2.726 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.913 1.207 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.641 0.790 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.407 -0.456 -5.080 1.00 0.00 H new ATOM 1301 N TYR A 91 -7.997 -3.391 -9.033 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.083 -4.832 -9.329 1.00 0.00 C ATOM 1303 C TYR A 91 -7.821 -5.535 -7.987 1.00 0.00 C ATOM 1304 O TYR A 91 -8.687 -6.295 -7.584 1.00 0.00 O ATOM 1305 CB TYR A 91 -7.004 -5.096 -10.453 1.00 0.00 C ATOM 1306 CG TYR A 91 -6.893 -3.824 -11.336 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.027 -3.258 -11.879 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -5.681 -3.210 -11.574 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.954 -2.109 -12.634 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -5.607 -2.051 -12.334 1.00 0.00 C ATOM 1311 CZ TYR A 91 -6.746 -1.494 -12.868 1.00 0.00 C ATOM 1312 OH TYR A 91 -6.681 -0.329 -13.613 1.00 0.00 O ATOM 1313 OXT TYR A 91 -6.773 -5.261 -7.425 1.00 0.00 O ATOM 0 H TYR A 91 -7.091 -3.075 -8.687 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.036 -5.202 -9.708 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.039 -5.331 -10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.291 -5.955 -11.060 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.987 -3.723 -11.710 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.778 -3.637 -11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.857 -1.685 -13.048 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.649 -1.583 -12.507 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.749 -0.033 -13.677 1.00 0.00 H new