USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 28 LYS NZ :NH3+ -147:sc= -0.115 (180deg=-0.307) USER MOD Set 1.2: A 34 SER OG : rot 7:sc= 1.19 USER MOD Single : A 1 VAL N :NH3+ 180:sc= -0.332 (180deg=-0.332) USER MOD Single : A 5 TYR OH : rot -40:sc= 1.24 USER MOD Single : A 8 GLN : amide:sc= 1.14 K(o=1.1,f=-0.055) USER MOD Single : A 11 ASN : amide:sc= -0.0123 K(o=-0.012,f=-5.9!) USER MOD Single : A 12 CYS SG : rot 44:sc= 0.591 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -38:sc= 0.484 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 25 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0403 USER MOD Single : A 36 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.1) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= 0.0445 (180deg=-0.00394) USER MOD Single : A 43 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.52) USER MOD Single : A 50 ASN : amide:sc= 1.04 K(o=1,f=-4!) USER MOD Single : A 55 ASN : amide:sc= 0.381 K(o=0.38,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.793 12.303 5.838 1.00 0.00 N ATOM 2 CA VAL A 1 6.316 11.067 5.165 1.00 0.00 C ATOM 3 C VAL A 1 5.351 10.328 6.060 1.00 0.00 C ATOM 4 O VAL A 1 5.214 10.635 7.245 1.00 0.00 O ATOM 5 CB VAL A 1 7.488 10.162 4.756 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.321 10.854 3.656 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.368 9.760 5.962 1.00 0.00 C ATOM 0 H1 VAL A 1 7.457 12.804 5.214 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.982 12.919 6.047 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.275 12.052 6.725 1.00 0.00 H new ATOM 0 HA VAL A 1 5.795 11.356 4.252 1.00 0.00 H new ATOM 0 HB VAL A 1 7.075 9.235 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.151 10.209 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.691 11.043 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.710 11.799 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.182 9.121 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.780 10.656 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.763 9.220 6.690 1.00 0.00 H new ATOM 19 N ARG A 2 4.649 9.321 5.491 1.00 0.00 N ATOM 20 CA ARG A 2 3.784 8.423 6.213 1.00 0.00 C ATOM 21 C ARG A 2 4.467 7.090 6.163 1.00 0.00 C ATOM 22 O ARG A 2 5.433 6.901 5.420 1.00 0.00 O ATOM 23 CB ARG A 2 2.375 8.248 5.572 1.00 0.00 C ATOM 24 CG ARG A 2 1.628 9.575 5.352 1.00 0.00 C ATOM 25 CD ARG A 2 1.481 9.970 3.868 1.00 0.00 C ATOM 26 NE ARG A 2 0.179 9.468 3.284 1.00 0.00 N ATOM 27 CZ ARG A 2 -1.013 10.120 3.441 1.00 0.00 C ATOM 28 NH1 ARG A 2 -1.114 11.261 4.181 1.00 0.00 N ATOM 29 NH2 ARG A 2 -2.127 9.607 2.840 1.00 0.00 N ATOM 0 H ARG A 2 4.685 9.124 4.491 1.00 0.00 H new ATOM 0 HA ARG A 2 3.624 8.824 7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.482 7.738 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.772 7.603 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.636 9.501 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.156 10.370 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.528 11.055 3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.317 9.563 3.298 1.00 0.00 H new ATOM 0 HE ARG A 2 0.191 8.601 2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.287 11.649 4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.016 11.726 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.060 8.753 2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.026 10.078 2.945 1.00 0.00 H new ATOM 43 N ASP A 3 3.945 6.109 6.925 1.00 0.00 N ATOM 44 CA ASP A 3 4.290 4.723 6.773 1.00 0.00 C ATOM 45 C ASP A 3 2.892 4.223 6.767 1.00 0.00 C ATOM 46 O ASP A 3 2.051 4.842 7.428 1.00 0.00 O ATOM 47 CB ASP A 3 5.044 4.070 7.960 1.00 0.00 C ATOM 48 CG ASP A 3 6.301 4.874 8.283 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.153 5.037 7.370 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.427 5.338 9.447 1.00 0.00 O ATOM 0 H ASP A 3 3.266 6.282 7.666 1.00 0.00 H new ATOM 0 HA ASP A 3 4.960 4.523 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.395 4.027 8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.312 3.043 7.711 1.00 0.00 H new ATOM 55 N GLY A 4 2.566 3.183 5.983 1.00 0.00 N ATOM 56 CA GLY A 4 1.211 2.726 5.981 1.00 0.00 C ATOM 57 C GLY A 4 1.250 1.363 5.418 1.00 0.00 C ATOM 58 O GLY A 4 2.298 0.900 4.967 1.00 0.00 O ATOM 0 H GLY A 4 3.208 2.676 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.798 2.721 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.578 3.380 5.381 1.00 0.00 H new ATOM 62 N TYR A 5 0.054 0.744 5.323 1.00 0.00 N ATOM 63 CA TYR A 5 -0.199 -0.309 4.385 1.00 0.00 C ATOM 64 C TYR A 5 -0.447 0.462 3.133 1.00 0.00 C ATOM 65 O TYR A 5 -1.175 1.451 3.182 1.00 0.00 O ATOM 66 CB TYR A 5 -1.492 -1.084 4.693 1.00 0.00 C ATOM 67 CG TYR A 5 -1.314 -2.016 5.843 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.873 -3.323 5.604 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.647 -1.627 7.153 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.817 -4.243 6.650 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.595 -2.553 8.202 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.214 -3.875 7.940 1.00 0.00 C ATOM 73 OH TYR A 5 -1.319 -4.864 8.938 1.00 0.00 O ATOM 0 H TYR A 5 -0.748 0.979 5.907 1.00 0.00 H new ATOM 0 HA TYR A 5 0.611 -1.039 4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.294 -0.380 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.798 -1.648 3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.576 -3.619 4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.945 -0.608 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.465 -5.247 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.847 -2.250 9.207 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.716 -5.674 8.555 1.00 0.00 H new ATOM 83 N ILE A 6 0.160 0.073 1.997 1.00 0.00 N ATOM 84 CA ILE A 6 -0.041 0.788 0.773 1.00 0.00 C ATOM 85 C ILE A 6 -1.219 0.123 0.127 1.00 0.00 C ATOM 86 O ILE A 6 -1.349 -1.118 0.106 1.00 0.00 O ATOM 87 CB ILE A 6 1.179 0.950 -0.136 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.951 2.044 -1.215 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.634 -0.392 -0.729 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.192 2.350 -2.059 1.00 0.00 C ATOM 0 H ILE A 6 0.785 -0.730 1.925 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.232 1.840 0.987 1.00 0.00 H new ATOM 0 HB ILE A 6 2.004 1.301 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.144 1.727 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.621 2.960 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.502 -0.232 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.898 -1.075 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.824 -0.822 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.954 3.123 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.996 2.699 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.511 1.446 -2.578 1.00 0.00 H new ATOM 102 N ALA A 7 -2.095 1.034 -0.355 1.00 0.00 N ATOM 103 CA ALA A 7 -3.240 0.787 -1.166 1.00 0.00 C ATOM 104 C ALA A 7 -2.773 0.742 -2.576 1.00 0.00 C ATOM 105 O ALA A 7 -1.636 0.386 -2.854 1.00 0.00 O ATOM 106 CB ALA A 7 -4.300 1.900 -1.054 1.00 0.00 C ATOM 0 H ALA A 7 -1.983 2.028 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.702 -0.143 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.150 1.659 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.635 1.981 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.866 2.849 -1.370 1.00 0.00 H new ATOM 112 N GLN A 8 -3.650 1.135 -3.503 1.00 0.00 N ATOM 113 CA GLN A 8 -3.330 1.375 -4.866 1.00 0.00 C ATOM 114 C GLN A 8 -4.232 2.558 -5.033 1.00 0.00 C ATOM 115 O GLN A 8 -5.086 2.722 -4.153 1.00 0.00 O ATOM 116 CB GLN A 8 -3.713 0.199 -5.794 1.00 0.00 C ATOM 117 CG GLN A 8 -5.210 -0.088 -5.940 1.00 0.00 C ATOM 118 CD GLN A 8 -5.361 -1.466 -6.578 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.371 -1.585 -7.806 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.433 -2.538 -5.737 1.00 0.00 N ATOM 0 H GLN A 8 -4.635 1.294 -3.291 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.276 1.511 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.304 0.397 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.226 -0.703 -5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.701 -0.062 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.686 0.673 -6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.422 -2.396 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.498 -3.482 -6.118 1.00 0.00 H new ATOM 129 N PRO A 9 -4.123 3.396 -6.055 1.00 0.00 N ATOM 130 CA PRO A 9 -4.952 4.580 -6.158 1.00 0.00 C ATOM 131 C PRO A 9 -6.393 4.176 -6.374 1.00 0.00 C ATOM 132 O PRO A 9 -6.611 3.115 -6.949 1.00 0.00 O ATOM 133 CB PRO A 9 -4.405 5.309 -7.394 1.00 0.00 C ATOM 134 CG PRO A 9 -2.926 4.914 -7.428 1.00 0.00 C ATOM 135 CD PRO A 9 -2.957 3.463 -6.939 1.00 0.00 C ATOM 0 HA PRO A 9 -4.927 5.202 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.922 5.000 -8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.529 6.389 -7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.508 4.995 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.322 5.548 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.050 2.766 -7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.041 3.204 -6.408 1.00 0.00 H new ATOM 143 N GLU A 10 -7.404 4.944 -5.910 1.00 0.00 N ATOM 144 CA GLU A 10 -7.301 6.169 -5.157 1.00 0.00 C ATOM 145 C GLU A 10 -7.075 5.806 -3.715 1.00 0.00 C ATOM 146 O GLU A 10 -6.571 6.605 -2.932 1.00 0.00 O ATOM 147 CB GLU A 10 -8.594 7.021 -5.231 1.00 0.00 C ATOM 148 CG GLU A 10 -8.782 7.781 -6.562 1.00 0.00 C ATOM 149 CD GLU A 10 -9.159 6.836 -7.700 1.00 0.00 C ATOM 150 OE1 GLU A 10 -10.279 6.264 -7.640 1.00 0.00 O ATOM 151 OE2 GLU A 10 -8.338 6.672 -8.641 1.00 0.00 O ATOM 0 H GLU A 10 -8.377 4.686 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.484 6.755 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.453 6.369 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.587 7.742 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.558 8.537 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.861 8.307 -6.815 1.00 0.00 H new ATOM 158 N ASN A 11 -7.478 4.580 -3.353 1.00 0.00 N ATOM 159 CA ASN A 11 -7.536 4.044 -2.045 1.00 0.00 C ATOM 160 C ASN A 11 -8.000 2.688 -2.505 1.00 0.00 C ATOM 161 O ASN A 11 -8.586 2.632 -3.585 1.00 0.00 O ATOM 162 CB ASN A 11 -8.602 4.776 -1.189 1.00 0.00 C ATOM 163 CG ASN A 11 -9.133 3.870 -0.085 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.350 3.254 0.650 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.485 3.743 -0.027 1.00 0.00 N ATOM 0 H ASN A 11 -7.792 3.905 -4.050 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.648 4.090 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.167 5.674 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.425 5.100 -1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.909 3.111 0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.075 4.280 -0.662 1.00 0.00 H new ATOM 172 N CYS A 12 -7.749 1.629 -1.714 1.00 0.00 N ATOM 173 CA CYS A 12 -8.126 0.234 -1.850 1.00 0.00 C ATOM 174 C CYS A 12 -7.118 -0.346 -0.909 1.00 0.00 C ATOM 175 O CYS A 12 -6.693 0.336 0.019 1.00 0.00 O ATOM 176 CB CYS A 12 -8.029 -0.482 -3.243 1.00 0.00 C ATOM 177 SG CYS A 12 -9.248 0.005 -4.505 1.00 0.00 S ATOM 0 H CYS A 12 -7.208 1.763 -0.860 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.194 0.108 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.032 -0.304 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.120 -1.556 -3.080 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.379 1.298 -4.505 1.00 0.00 H new ATOM 182 N VAL A 13 -6.673 -1.588 -1.167 1.00 0.00 N ATOM 183 CA VAL A 13 -5.470 -2.174 -0.660 1.00 0.00 C ATOM 184 C VAL A 13 -4.755 -2.395 -1.963 1.00 0.00 C ATOM 185 O VAL A 13 -5.396 -2.339 -3.016 1.00 0.00 O ATOM 186 CB VAL A 13 -5.647 -3.502 0.070 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.028 -3.209 1.530 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.689 -4.407 -0.627 1.00 0.00 C ATOM 0 H VAL A 13 -7.190 -2.227 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.982 -1.557 0.094 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.709 -4.056 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.159 -4.148 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.237 -2.627 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.959 -2.643 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.785 -5.342 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.653 -3.899 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.364 -4.618 -1.646 1.00 0.00 H new ATOM 198 N TYR A 14 -3.427 -2.654 -1.932 1.00 0.00 N ATOM 199 CA TYR A 14 -2.746 -3.264 -3.056 1.00 0.00 C ATOM 200 C TYR A 14 -2.921 -4.747 -2.868 1.00 0.00 C ATOM 201 O TYR A 14 -3.851 -5.191 -2.204 1.00 0.00 O ATOM 202 CB TYR A 14 -1.244 -2.838 -3.233 1.00 0.00 C ATOM 203 CG TYR A 14 -0.925 -2.279 -4.609 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.489 -2.815 -5.786 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.039 -1.192 -4.737 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.254 -2.221 -7.033 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.200 -0.595 -5.982 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.426 -1.096 -7.128 1.00 0.00 C ATOM 209 OH TYR A 14 -0.223 -0.452 -8.367 1.00 0.00 O ATOM 0 H TYR A 14 -2.824 -2.445 -1.137 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.185 -2.916 -3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.997 -2.089 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.606 -3.702 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.111 -3.696 -5.725 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.465 -0.812 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.712 -2.631 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.867 0.251 -6.057 1.00 0.00 H new ATOM 0 HH TYR A 14 0.380 0.311 -8.244 1.00 0.00 H new ATOM 219 N HIS A 15 -2.028 -5.565 -3.425 1.00 0.00 N ATOM 220 CA HIS A 15 -1.926 -6.935 -3.022 1.00 0.00 C ATOM 221 C HIS A 15 -0.451 -7.033 -2.912 1.00 0.00 C ATOM 222 O HIS A 15 0.250 -6.043 -3.141 1.00 0.00 O ATOM 223 CB HIS A 15 -2.486 -7.974 -4.021 1.00 0.00 C ATOM 224 CG HIS A 15 -3.966 -8.165 -3.849 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.901 -7.355 -4.434 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.634 -9.065 -3.090 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.103 -7.759 -4.045 1.00 0.00 C ATOM 228 NE2 HIS A 15 -5.969 -8.797 -3.229 1.00 0.00 N ATOM 0 H HIS A 15 -1.372 -5.287 -4.155 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.512 -7.163 -2.132 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.277 -7.649 -5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -1.977 -8.927 -3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.196 -9.847 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.041 -7.314 -4.344 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.730 -9.308 -2.782 1.00 0.00 H new ATOM 237 N CYS A 16 0.042 -8.221 -2.551 1.00 0.00 N ATOM 238 CA CYS A 16 1.419 -8.508 -2.384 1.00 0.00 C ATOM 239 C CYS A 16 1.397 -9.849 -3.015 1.00 0.00 C ATOM 240 O CYS A 16 0.315 -10.353 -3.330 1.00 0.00 O ATOM 241 CB CYS A 16 1.835 -8.646 -0.897 1.00 0.00 C ATOM 242 SG CYS A 16 3.632 -8.700 -0.650 1.00 0.00 S ATOM 0 H CYS A 16 -0.556 -9.026 -2.366 1.00 0.00 H new ATOM 0 HA CYS A 16 2.102 -7.756 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.424 -7.808 -0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.392 -9.554 -0.487 1.00 0.00 H new ATOM 247 N PHE A 17 2.570 -10.466 -3.186 1.00 0.00 N ATOM 248 CA PHE A 17 2.693 -11.798 -3.649 1.00 0.00 C ATOM 249 C PHE A 17 3.577 -12.308 -2.555 1.00 0.00 C ATOM 250 O PHE A 17 4.538 -11.593 -2.256 1.00 0.00 O ATOM 251 CB PHE A 17 3.460 -11.884 -4.989 1.00 0.00 C ATOM 252 CG PHE A 17 2.760 -11.057 -6.039 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.520 -11.458 -6.564 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.314 -9.835 -6.466 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.842 -10.654 -7.489 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.641 -9.029 -7.394 1.00 0.00 C ATOM 257 CZ PHE A 17 1.402 -9.439 -7.905 1.00 0.00 C ATOM 0 H PHE A 17 3.466 -10.018 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 17 1.749 -12.312 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.482 -11.528 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.524 -12.922 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.085 -12.396 -6.251 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.268 -9.515 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.113 -10.971 -7.882 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.076 -8.094 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.880 -8.819 -8.619 1.00 0.00 H new ATOM 267 N PRO A 18 3.330 -13.454 -1.927 1.00 0.00 N ATOM 268 CA PRO A 18 4.218 -14.017 -0.925 1.00 0.00 C ATOM 269 C PRO A 18 5.629 -14.200 -1.431 1.00 0.00 C ATOM 270 O PRO A 18 5.834 -14.912 -2.412 1.00 0.00 O ATOM 271 CB PRO A 18 3.559 -15.362 -0.611 1.00 0.00 C ATOM 272 CG PRO A 18 2.059 -15.044 -0.660 1.00 0.00 C ATOM 273 CD PRO A 18 1.962 -13.955 -1.739 1.00 0.00 C ATOM 0 HA PRO A 18 4.332 -13.368 -0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.832 -16.123 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.858 -15.737 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.470 -15.923 -0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.692 -14.690 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.563 -14.360 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.292 -13.154 -1.427 1.00 0.00 H new ATOM 281 N GLY A 19 6.595 -13.511 -0.797 1.00 0.00 N ATOM 282 CA GLY A 19 7.933 -13.374 -1.307 1.00 0.00 C ATOM 283 C GLY A 19 8.232 -11.920 -1.145 1.00 0.00 C ATOM 284 O GLY A 19 9.299 -11.558 -0.659 1.00 0.00 O ATOM 0 H GLY A 19 6.447 -13.035 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.638 -13.991 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.996 -13.681 -2.351 1.00 0.00 H new ATOM 288 N SER A 20 7.244 -11.074 -1.514 1.00 0.00 N ATOM 289 CA SER A 20 7.216 -9.634 -1.384 1.00 0.00 C ATOM 290 C SER A 20 7.735 -8.930 -2.596 1.00 0.00 C ATOM 291 O SER A 20 7.509 -7.729 -2.714 1.00 0.00 O ATOM 292 CB SER A 20 7.870 -8.985 -0.134 1.00 0.00 C ATOM 293 OG SER A 20 7.325 -9.518 1.069 1.00 0.00 O ATOM 0 H SER A 20 6.388 -11.427 -1.942 1.00 0.00 H new ATOM 0 HA SER A 20 6.144 -9.489 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.947 -9.154 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.716 -7.906 -0.159 1.00 0.00 H new ATOM 0 HG SER A 20 6.364 -9.672 0.953 1.00 0.00 H new ATOM 299 N SER A 21 8.416 -9.625 -3.532 1.00 0.00 N ATOM 300 CA SER A 21 9.160 -9.051 -4.636 1.00 0.00 C ATOM 301 C SER A 21 8.431 -7.972 -5.418 1.00 0.00 C ATOM 302 O SER A 21 8.953 -6.884 -5.673 1.00 0.00 O ATOM 303 CB SER A 21 9.577 -10.180 -5.610 1.00 0.00 C ATOM 304 OG SER A 21 9.960 -11.342 -4.871 1.00 0.00 O ATOM 0 H SER A 21 8.454 -10.644 -3.524 1.00 0.00 H new ATOM 0 HA SER A 21 10.020 -8.558 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.750 -10.420 -6.279 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.405 -9.846 -6.235 1.00 0.00 H new ATOM 0 HG SER A 21 10.221 -12.053 -5.492 1.00 0.00 H new ATOM 310 N GLY A 22 7.165 -8.253 -5.801 1.00 0.00 N ATOM 311 CA GLY A 22 6.393 -7.342 -6.615 1.00 0.00 C ATOM 312 C GLY A 22 5.860 -6.203 -5.799 1.00 0.00 C ATOM 313 O GLY A 22 5.682 -5.104 -6.312 1.00 0.00 O ATOM 0 H GLY A 22 6.673 -9.110 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.015 -6.955 -7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.566 -7.878 -7.080 1.00 0.00 H new ATOM 317 N CYS A 23 5.613 -6.427 -4.488 1.00 0.00 N ATOM 318 CA CYS A 23 5.097 -5.422 -3.579 1.00 0.00 C ATOM 319 C CYS A 23 6.196 -4.453 -3.325 1.00 0.00 C ATOM 320 O CYS A 23 5.971 -3.251 -3.400 1.00 0.00 O ATOM 321 CB CYS A 23 4.613 -6.040 -2.241 1.00 0.00 C ATOM 322 SG CYS A 23 4.607 -5.046 -0.704 1.00 0.00 S ATOM 0 H CYS A 23 5.775 -7.330 -4.042 1.00 0.00 H new ATOM 0 HA CYS A 23 4.231 -4.936 -4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.594 -6.392 -2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.228 -6.920 -2.052 1.00 0.00 H new ATOM 327 N ASP A 24 7.418 -4.970 -3.061 1.00 0.00 N ATOM 328 CA ASP A 24 8.619 -4.190 -2.856 1.00 0.00 C ATOM 329 C ASP A 24 8.847 -3.304 -4.060 1.00 0.00 C ATOM 330 O ASP A 24 9.053 -2.101 -3.933 1.00 0.00 O ATOM 331 CB ASP A 24 9.848 -5.111 -2.622 1.00 0.00 C ATOM 332 CG ASP A 24 11.091 -4.313 -2.219 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.235 -4.012 -1.004 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.909 -3.994 -3.122 1.00 0.00 O ATOM 0 H ASP A 24 7.580 -5.974 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 24 8.493 -3.573 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.615 -5.837 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.057 -5.675 -3.531 1.00 0.00 H new ATOM 339 N THR A 25 8.748 -3.886 -5.269 1.00 0.00 N ATOM 340 CA THR A 25 8.858 -3.163 -6.517 1.00 0.00 C ATOM 341 C THR A 25 7.795 -2.078 -6.646 1.00 0.00 C ATOM 342 O THR A 25 8.111 -0.948 -7.017 1.00 0.00 O ATOM 343 CB THR A 25 8.776 -4.103 -7.707 1.00 0.00 C ATOM 344 OG1 THR A 25 9.680 -5.197 -7.550 1.00 0.00 O ATOM 345 CG2 THR A 25 9.145 -3.367 -9.011 1.00 0.00 C ATOM 0 H THR A 25 8.587 -4.886 -5.392 1.00 0.00 H new ATOM 0 HA THR A 25 9.836 -2.682 -6.511 1.00 0.00 H new ATOM 0 HB THR A 25 7.750 -4.468 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.240 -5.915 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.080 -4.059 -9.850 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.454 -2.539 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.162 -2.982 -8.936 1.00 0.00 H new ATOM 353 N LEU A 26 6.507 -2.373 -6.327 1.00 0.00 N ATOM 354 CA LEU A 26 5.438 -1.390 -6.410 1.00 0.00 C ATOM 355 C LEU A 26 5.640 -0.304 -5.391 1.00 0.00 C ATOM 356 O LEU A 26 5.452 0.879 -5.664 1.00 0.00 O ATOM 357 CB LEU A 26 4.034 -1.986 -6.168 1.00 0.00 C ATOM 358 CG LEU A 26 3.531 -2.865 -7.333 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.342 -3.737 -6.885 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.181 -2.024 -8.577 1.00 0.00 C ATOM 0 H LEU A 26 6.201 -3.293 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 26 5.483 -1.003 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.053 -2.582 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.326 -1.174 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 26 4.345 -3.530 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.004 -4.348 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.654 -4.384 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.526 -3.096 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.831 -2.681 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.397 -1.310 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.067 -1.486 -8.913 1.00 0.00 H new ATOM 372 N CYS A 27 6.074 -0.696 -4.185 1.00 0.00 N ATOM 373 CA CYS A 27 6.423 0.198 -3.109 1.00 0.00 C ATOM 374 C CYS A 27 7.500 1.162 -3.542 1.00 0.00 C ATOM 375 O CYS A 27 7.386 2.359 -3.281 1.00 0.00 O ATOM 376 CB CYS A 27 6.900 -0.559 -1.845 1.00 0.00 C ATOM 377 SG CYS A 27 6.933 0.491 -0.369 1.00 0.00 S ATOM 0 H CYS A 27 6.190 -1.679 -3.939 1.00 0.00 H new ATOM 0 HA CYS A 27 5.515 0.745 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.242 -1.409 -1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.898 -0.960 -2.022 1.00 0.00 H new ATOM 382 N LYS A 28 8.543 0.666 -4.262 1.00 0.00 N ATOM 383 CA LYS A 28 9.638 1.486 -4.750 1.00 0.00 C ATOM 384 C LYS A 28 9.125 2.572 -5.660 1.00 0.00 C ATOM 385 O LYS A 28 9.393 3.752 -5.446 1.00 0.00 O ATOM 386 CB LYS A 28 10.721 0.703 -5.551 1.00 0.00 C ATOM 387 CG LYS A 28 11.661 -0.182 -4.709 1.00 0.00 C ATOM 388 CD LYS A 28 12.668 0.612 -3.863 1.00 0.00 C ATOM 389 CE LYS A 28 13.752 -0.262 -3.214 1.00 0.00 C ATOM 390 NZ LYS A 28 13.169 -1.220 -2.247 1.00 0.00 N ATOM 0 H LYS A 28 8.629 -0.320 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 28 10.099 1.886 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.219 0.073 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.326 1.420 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.061 -0.808 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.207 -0.851 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.147 1.362 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.130 1.148 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.292 -0.808 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.477 0.373 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.839 -1.378 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.282 -0.833 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.976 -2.123 -2.726 1.00 0.00 H new ATOM 404 N GLU A 29 8.346 2.199 -6.697 1.00 0.00 N ATOM 405 CA GLU A 29 7.928 3.130 -7.724 1.00 0.00 C ATOM 406 C GLU A 29 6.872 4.092 -7.240 1.00 0.00 C ATOM 407 O GLU A 29 6.658 5.133 -7.858 1.00 0.00 O ATOM 408 CB GLU A 29 7.435 2.417 -9.006 1.00 0.00 C ATOM 409 CG GLU A 29 6.268 1.446 -8.774 1.00 0.00 C ATOM 410 CD GLU A 29 5.928 0.700 -10.060 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.832 0.009 -10.604 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.755 0.797 -10.509 1.00 0.00 O ATOM 0 H GLU A 29 8.000 1.249 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 29 8.823 3.701 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.128 3.170 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.268 1.869 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.531 0.733 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.394 1.996 -8.424 1.00 0.00 H new ATOM 419 N LYS A 30 6.200 3.785 -6.105 1.00 0.00 N ATOM 420 CA LYS A 30 5.260 4.697 -5.485 1.00 0.00 C ATOM 421 C LYS A 30 5.972 5.557 -4.471 1.00 0.00 C ATOM 422 O LYS A 30 5.386 6.487 -3.919 1.00 0.00 O ATOM 423 CB LYS A 30 4.081 3.982 -4.783 1.00 0.00 C ATOM 424 CG LYS A 30 3.141 3.210 -5.738 1.00 0.00 C ATOM 425 CD LYS A 30 2.404 4.058 -6.794 1.00 0.00 C ATOM 426 CE LYS A 30 1.499 5.150 -6.200 1.00 0.00 C ATOM 427 NZ LYS A 30 0.812 5.921 -7.263 1.00 0.00 N ATOM 0 H LYS A 30 6.306 2.899 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 30 4.845 5.300 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.481 3.286 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.496 4.722 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.726 2.450 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.397 2.686 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.140 4.527 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.799 3.399 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.758 4.693 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.096 5.825 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.210 6.649 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.520 6.376 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.224 5.279 -7.832 1.00 0.00 H new ATOM 441 N GLY A 31 7.272 5.287 -4.227 1.00 0.00 N ATOM 442 CA GLY A 31 8.133 6.193 -3.513 1.00 0.00 C ATOM 443 C GLY A 31 8.290 5.805 -2.083 1.00 0.00 C ATOM 444 O GLY A 31 8.534 6.678 -1.255 1.00 0.00 O ATOM 0 H GLY A 31 7.734 4.429 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.112 6.216 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.726 7.202 -3.572 1.00 0.00 H new ATOM 448 N GLY A 32 8.166 4.501 -1.747 1.00 0.00 N ATOM 449 CA GLY A 32 8.506 4.002 -0.435 1.00 0.00 C ATOM 450 C GLY A 32 9.850 3.376 -0.579 1.00 0.00 C ATOM 451 O GLY A 32 10.176 2.821 -1.627 1.00 0.00 O ATOM 0 H GLY A 32 7.827 3.784 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.526 4.809 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.770 3.276 -0.089 1.00 0.00 H new ATOM 455 N THR A 33 10.697 3.450 0.468 1.00 0.00 N ATOM 456 CA THR A 33 12.082 3.072 0.325 1.00 0.00 C ATOM 457 C THR A 33 12.241 1.571 0.359 1.00 0.00 C ATOM 458 O THR A 33 13.188 1.025 -0.207 1.00 0.00 O ATOM 459 CB THR A 33 12.952 3.734 1.378 1.00 0.00 C ATOM 460 OG1 THR A 33 12.287 3.747 2.639 1.00 0.00 O ATOM 461 CG2 THR A 33 13.209 5.192 0.941 1.00 0.00 C ATOM 0 H THR A 33 10.433 3.766 1.401 1.00 0.00 H new ATOM 0 HA THR A 33 12.418 3.426 -0.650 1.00 0.00 H new ATOM 0 HB THR A 33 13.886 3.181 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.862 4.175 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.833 5.690 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.717 5.199 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.259 5.719 0.854 1.00 0.00 H new ATOM 469 N SER A 34 11.336 0.846 1.045 1.00 0.00 N ATOM 470 CA SER A 34 11.219 -0.574 0.918 1.00 0.00 C ATOM 471 C SER A 34 9.846 -0.762 1.465 1.00 0.00 C ATOM 472 O SER A 34 9.249 0.211 1.944 1.00 0.00 O ATOM 473 CB SER A 34 12.272 -1.395 1.699 1.00 0.00 C ATOM 474 OG SER A 34 13.533 -1.288 1.047 1.00 0.00 O ATOM 0 H SER A 34 10.672 1.256 1.702 1.00 0.00 H new ATOM 0 HA SER A 34 11.387 -0.929 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.348 -1.030 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.966 -2.440 1.755 1.00 0.00 H new ATOM 0 HG SER A 34 13.470 -0.637 0.317 1.00 0.00 H new ATOM 480 N GLY A 35 9.330 -2.002 1.406 1.00 0.00 N ATOM 481 CA GLY A 35 8.004 -2.332 1.802 1.00 0.00 C ATOM 482 C GLY A 35 8.113 -3.807 1.753 1.00 0.00 C ATOM 483 O GLY A 35 9.154 -4.304 1.320 1.00 0.00 O ATOM 0 H GLY A 35 9.861 -2.805 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.756 -1.960 2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.250 -1.942 1.118 1.00 0.00 H new ATOM 487 N HIS A 36 7.082 -4.534 2.216 1.00 0.00 N ATOM 488 CA HIS A 36 7.113 -5.964 2.359 1.00 0.00 C ATOM 489 C HIS A 36 5.648 -6.241 2.386 1.00 0.00 C ATOM 490 O HIS A 36 4.879 -5.277 2.400 1.00 0.00 O ATOM 491 CB HIS A 36 7.726 -6.479 3.688 1.00 0.00 C ATOM 492 CG HIS A 36 9.178 -6.123 3.860 1.00 0.00 C ATOM 493 ND1 HIS A 36 9.607 -5.015 4.544 1.00 0.00 N ATOM 494 CD2 HIS A 36 10.279 -6.744 3.383 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.931 -4.971 4.480 1.00 0.00 C ATOM 496 NE2 HIS A 36 11.363 -6.010 3.779 1.00 0.00 N ATOM 0 H HIS A 36 6.196 -4.118 2.501 1.00 0.00 H new ATOM 0 HA HIS A 36 7.719 -6.439 1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.159 -6.068 4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.619 -7.563 3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.299 -7.651 2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.556 -4.212 4.927 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.338 -6.225 3.570 1.00 0.00 H new ATOM 505 N CYS A 37 5.204 -7.523 2.406 1.00 0.00 N ATOM 506 CA CYS A 37 3.782 -7.812 2.493 1.00 0.00 C ATOM 507 C CYS A 37 3.264 -7.493 3.871 1.00 0.00 C ATOM 508 O CYS A 37 4.023 -7.389 4.834 1.00 0.00 O ATOM 509 CB CYS A 37 3.362 -9.294 2.265 1.00 0.00 C ATOM 510 SG CYS A 37 3.958 -10.096 0.757 1.00 0.00 S ATOM 0 H CYS A 37 5.808 -8.344 2.363 1.00 0.00 H new ATOM 0 HA CYS A 37 3.369 -7.200 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.707 -9.878 3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.273 -9.341 2.266 1.00 0.00 H new ATOM 515 N GLY A 38 1.927 -7.381 3.998 1.00 0.00 N ATOM 516 CA GLY A 38 1.275 -7.270 5.259 1.00 0.00 C ATOM 517 C GLY A 38 -0.106 -7.653 4.858 1.00 0.00 C ATOM 518 O GLY A 38 -0.371 -7.794 3.660 1.00 0.00 O ATOM 0 H GLY A 38 1.289 -7.368 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.695 -7.942 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.327 -6.262 5.670 1.00 0.00 H new ATOM 522 N PHE A 39 -1.014 -7.832 5.838 1.00 0.00 N ATOM 523 CA PHE A 39 -2.403 -8.126 5.601 1.00 0.00 C ATOM 524 C PHE A 39 -3.071 -6.973 6.277 1.00 0.00 C ATOM 525 O PHE A 39 -2.673 -6.628 7.396 1.00 0.00 O ATOM 526 CB PHE A 39 -2.845 -9.453 6.274 1.00 0.00 C ATOM 527 CG PHE A 39 -4.152 -9.973 5.733 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.383 -9.562 6.273 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.152 -10.922 4.696 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.584 -10.108 5.805 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.350 -11.475 4.231 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.567 -11.077 4.794 1.00 0.00 C ATOM 0 H PHE A 39 -0.777 -7.771 6.828 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.638 -8.248 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.070 -10.206 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.938 -9.297 7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.402 -8.818 7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.216 -11.228 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.524 -9.782 6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.335 -12.208 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.492 -11.516 4.450 1.00 0.00 H new ATOM 542 N LYS A 40 -4.073 -6.351 5.616 1.00 0.00 N ATOM 543 CA LYS A 40 -4.812 -5.259 6.181 1.00 0.00 C ATOM 544 C LYS A 40 -6.174 -5.820 6.423 1.00 0.00 C ATOM 545 O LYS A 40 -6.958 -6.041 5.499 1.00 0.00 O ATOM 546 CB LYS A 40 -4.935 -4.022 5.260 1.00 0.00 C ATOM 547 CG LYS A 40 -5.796 -2.878 5.834 1.00 0.00 C ATOM 548 CD LYS A 40 -5.352 -2.378 7.219 1.00 0.00 C ATOM 549 CE LYS A 40 -6.110 -1.134 7.705 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.552 -1.423 7.879 1.00 0.00 N ATOM 0 H LYS A 40 -4.373 -6.611 4.676 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.299 -4.896 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.936 -3.639 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.360 -4.336 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.777 -2.041 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.830 -3.216 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.488 -3.180 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.286 -2.153 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.688 -0.793 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.982 -0.323 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.903 -0.937 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.076 -1.087 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.690 -2.448 7.984 1.00 0.00 H new ATOM 564 N VAL A 41 -6.494 -6.072 7.704 1.00 0.00 N ATOM 565 CA VAL A 41 -7.733 -6.687 8.089 1.00 0.00 C ATOM 566 C VAL A 41 -8.815 -5.656 7.910 1.00 0.00 C ATOM 567 O VAL A 41 -8.647 -4.501 8.297 1.00 0.00 O ATOM 568 CB VAL A 41 -7.712 -7.214 9.517 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.762 -8.337 9.643 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.298 -7.735 9.866 1.00 0.00 C ATOM 0 H VAL A 41 -5.884 -5.846 8.489 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.913 -7.560 7.462 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.956 -6.416 10.218 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.759 -8.725 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.750 -7.940 9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.520 -9.141 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.291 -8.110 10.889 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.028 -8.540 9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.578 -6.922 9.773 1.00 0.00 H new ATOM 580 N GLY A 42 -9.922 -6.051 7.247 1.00 0.00 N ATOM 581 CA GLY A 42 -10.962 -5.139 6.846 1.00 0.00 C ATOM 582 C GLY A 42 -11.015 -5.174 5.355 1.00 0.00 C ATOM 583 O GLY A 42 -12.025 -4.816 4.756 1.00 0.00 O ATOM 0 H GLY A 42 -10.101 -7.020 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.920 -5.433 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.750 -4.131 7.202 1.00 0.00 H new ATOM 587 N HIS A 43 -9.910 -5.601 4.705 1.00 0.00 N ATOM 588 CA HIS A 43 -9.868 -5.688 3.270 1.00 0.00 C ATOM 589 C HIS A 43 -9.309 -7.034 2.933 1.00 0.00 C ATOM 590 O HIS A 43 -10.037 -7.916 2.485 1.00 0.00 O ATOM 591 CB HIS A 43 -8.986 -4.600 2.621 1.00 0.00 C ATOM 592 CG HIS A 43 -9.646 -3.250 2.530 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.590 -2.489 1.392 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.288 -2.513 3.465 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.181 -1.328 1.633 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.615 -1.317 2.883 1.00 0.00 N ATOM 0 H HIS A 43 -9.048 -5.885 5.171 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.876 -5.540 2.883 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.064 -4.504 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.706 -4.924 1.619 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.503 -2.812 4.480 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.291 -0.521 0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.109 -0.548 3.336 1.00 0.00 H new ATOM 605 N GLY A 44 -7.991 -7.239 3.112 1.00 0.00 N ATOM 606 CA GLY A 44 -7.387 -8.426 2.601 1.00 0.00 C ATOM 607 C GLY A 44 -5.922 -8.179 2.638 1.00 0.00 C ATOM 608 O GLY A 44 -5.442 -7.279 3.332 1.00 0.00 O ATOM 0 H GLY A 44 -7.360 -6.601 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.653 -9.293 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.724 -8.631 1.585 1.00 0.00 H new ATOM 612 N LEU A 45 -5.186 -8.982 1.839 1.00 0.00 N ATOM 613 CA LEU A 45 -3.759 -8.917 1.607 1.00 0.00 C ATOM 614 C LEU A 45 -3.470 -7.575 0.988 1.00 0.00 C ATOM 615 O LEU A 45 -4.222 -7.144 0.118 1.00 0.00 O ATOM 616 CB LEU A 45 -3.361 -10.049 0.622 1.00 0.00 C ATOM 617 CG LEU A 45 -1.874 -10.195 0.222 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.959 -10.670 1.367 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.766 -11.162 -0.972 1.00 0.00 C ATOM 0 H LEU A 45 -5.620 -9.739 1.311 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.197 -9.039 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.680 -10.995 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.937 -9.910 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.522 -9.199 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.066 -10.747 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.002 -9.954 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.294 -11.646 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.720 -11.270 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.167 -12.135 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.335 -10.766 -1.813 1.00 0.00 H new ATOM 631 N ALA A 46 -2.415 -6.873 1.448 1.00 0.00 N ATOM 632 CA ALA A 46 -2.172 -5.508 1.071 1.00 0.00 C ATOM 633 C ALA A 46 -0.694 -5.481 0.936 1.00 0.00 C ATOM 634 O ALA A 46 -0.067 -6.534 1.045 1.00 0.00 O ATOM 635 CB ALA A 46 -2.607 -4.507 2.159 1.00 0.00 C ATOM 0 H ALA A 46 -1.721 -7.256 2.090 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.726 -5.221 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.401 -3.491 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.675 -4.617 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.053 -4.704 3.077 1.00 0.00 H new ATOM 641 N CYS A 47 -0.078 -4.297 0.714 1.00 0.00 N ATOM 642 CA CYS A 47 1.366 -4.267 0.642 1.00 0.00 C ATOM 643 C CYS A 47 1.659 -3.280 1.725 1.00 0.00 C ATOM 644 O CYS A 47 0.766 -2.510 2.064 1.00 0.00 O ATOM 645 CB CYS A 47 1.808 -3.893 -0.799 1.00 0.00 C ATOM 646 SG CYS A 47 3.532 -3.382 -1.081 1.00 0.00 S ATOM 0 H CYS A 47 -0.547 -3.400 0.589 1.00 0.00 H new ATOM 0 HA CYS A 47 1.912 -5.196 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.609 -4.753 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.163 -3.084 -1.143 1.00 0.00 H new ATOM 651 N TRP A 48 2.860 -3.301 2.343 1.00 0.00 N ATOM 652 CA TRP A 48 3.215 -2.395 3.409 1.00 0.00 C ATOM 653 C TRP A 48 4.312 -1.577 2.801 1.00 0.00 C ATOM 654 O TRP A 48 5.003 -2.066 1.909 1.00 0.00 O ATOM 655 CB TRP A 48 3.669 -3.133 4.709 1.00 0.00 C ATOM 656 CG TRP A 48 4.202 -2.242 5.820 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.484 -1.801 5.961 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.444 -1.610 6.870 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.569 -0.885 6.976 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.328 -0.753 7.558 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.108 -1.708 7.242 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.892 0.035 8.617 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.670 -0.934 8.327 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.547 -0.071 9.003 1.00 0.00 C ATOM 0 H TRP A 48 3.601 -3.958 2.100 1.00 0.00 H new ATOM 0 HA TRP A 48 2.371 -1.794 3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.823 -3.700 5.097 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.442 -3.854 4.444 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.317 -2.128 5.357 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.412 -0.383 7.255 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.429 -2.359 6.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.567 0.707 9.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.641 -1.003 8.648 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.182 0.519 9.831 1.00 0.00 H new ATOM 675 N CYS A 49 4.478 -0.309 3.243 1.00 0.00 N ATOM 676 CA CYS A 49 5.504 0.553 2.734 1.00 0.00 C ATOM 677 C CYS A 49 5.913 1.395 3.889 1.00 0.00 C ATOM 678 O CYS A 49 5.090 1.724 4.746 1.00 0.00 O ATOM 679 CB CYS A 49 5.007 1.524 1.645 1.00 0.00 C ATOM 680 SG CYS A 49 4.967 0.775 0.004 1.00 0.00 S ATOM 0 H CYS A 49 3.893 0.119 3.961 1.00 0.00 H new ATOM 0 HA CYS A 49 6.291 -0.061 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.007 1.873 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.655 2.400 1.623 1.00 0.00 H new ATOM 685 N ASN A 50 7.201 1.799 3.903 1.00 0.00 N ATOM 686 CA ASN A 50 7.709 2.743 4.862 1.00 0.00 C ATOM 687 C ASN A 50 8.197 3.871 4.012 1.00 0.00 C ATOM 688 O ASN A 50 8.818 3.640 2.975 1.00 0.00 O ATOM 689 CB ASN A 50 8.912 2.243 5.712 1.00 0.00 C ATOM 690 CG ASN A 50 8.429 1.696 7.062 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.773 0.650 7.139 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.755 2.421 8.173 1.00 0.00 N ATOM 0 H ASN A 50 7.901 1.466 3.240 1.00 0.00 H new ATOM 0 HA ASN A 50 6.927 2.977 5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.449 1.465 5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.614 3.061 5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.456 2.103 9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.297 3.280 8.080 1.00 0.00 H new ATOM 699 N ALA A 51 7.924 5.107 4.483 1.00 0.00 N ATOM 700 CA ALA A 51 8.401 6.368 3.975 1.00 0.00 C ATOM 701 C ALA A 51 7.724 6.733 2.695 1.00 0.00 C ATOM 702 O ALA A 51 8.390 6.953 1.690 1.00 0.00 O ATOM 703 CB ALA A 51 9.933 6.485 3.813 1.00 0.00 C ATOM 0 H ALA A 51 7.315 5.235 5.291 1.00 0.00 H new ATOM 0 HA ALA A 51 8.135 7.080 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.183 7.472 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.413 6.343 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.285 5.722 3.119 1.00 0.00 H new ATOM 709 N LEU A 52 6.377 6.845 2.710 1.00 0.00 N ATOM 710 CA LEU A 52 5.646 7.254 1.529 1.00 0.00 C ATOM 711 C LEU A 52 5.368 8.716 1.727 1.00 0.00 C ATOM 712 O LEU A 52 4.934 9.068 2.824 1.00 0.00 O ATOM 713 CB LEU A 52 4.275 6.559 1.333 1.00 0.00 C ATOM 714 CG LEU A 52 4.361 5.079 0.899 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.971 4.423 0.931 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.990 4.901 -0.496 1.00 0.00 C ATOM 0 H LEU A 52 5.795 6.656 3.526 1.00 0.00 H new ATOM 0 HA LEU A 52 6.246 6.996 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.715 6.618 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.706 7.111 0.585 1.00 0.00 H new ATOM 0 HG LEU A 52 5.016 4.585 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.053 3.381 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.569 4.471 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.303 4.952 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.024 3.841 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.390 5.430 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.002 5.306 -0.493 1.00 0.00 H new ATOM 728 N PRO A 53 5.587 9.612 0.778 1.00 0.00 N ATOM 729 CA PRO A 53 5.296 11.016 0.974 1.00 0.00 C ATOM 730 C PRO A 53 3.810 11.275 0.902 1.00 0.00 C ATOM 731 O PRO A 53 3.030 10.389 0.555 1.00 0.00 O ATOM 732 CB PRO A 53 6.071 11.725 -0.148 1.00 0.00 C ATOM 733 CG PRO A 53 6.269 10.673 -1.247 1.00 0.00 C ATOM 734 CD PRO A 53 6.274 9.345 -0.488 1.00 0.00 C ATOM 0 HA PRO A 53 5.596 11.379 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.516 12.584 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.029 12.098 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.467 10.709 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.204 10.829 -1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.762 8.567 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.292 8.996 -0.315 1.00 0.00 H new ATOM 742 N ASP A 54 3.420 12.515 1.243 1.00 0.00 N ATOM 743 CA ASP A 54 2.061 12.966 1.456 1.00 0.00 C ATOM 744 C ASP A 54 1.174 12.884 0.246 1.00 0.00 C ATOM 745 O ASP A 54 -0.048 12.933 0.365 1.00 0.00 O ATOM 746 CB ASP A 54 2.034 14.450 1.890 1.00 0.00 C ATOM 747 CG ASP A 54 2.721 14.642 3.244 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.979 14.555 3.292 1.00 0.00 O ATOM 749 OD2 ASP A 54 1.998 14.885 4.247 1.00 0.00 O ATOM 0 H ASP A 54 4.098 13.265 1.382 1.00 0.00 H new ATOM 0 HA ASP A 54 1.683 12.289 2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.531 15.061 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.002 14.795 1.950 1.00 0.00 H new ATOM 754 N ASN A 55 1.765 12.779 -0.959 1.00 0.00 N ATOM 755 CA ASN A 55 1.032 12.754 -2.200 1.00 0.00 C ATOM 756 C ASN A 55 0.617 11.348 -2.518 1.00 0.00 C ATOM 757 O ASN A 55 -0.099 11.128 -3.494 1.00 0.00 O ATOM 758 CB ASN A 55 1.843 13.318 -3.405 1.00 0.00 C ATOM 759 CG ASN A 55 3.185 12.588 -3.588 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.010 12.609 -2.668 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.398 11.948 -4.772 1.00 0.00 N ATOM 0 H ASN A 55 2.775 12.710 -1.080 1.00 0.00 H new ATOM 0 HA ASN A 55 0.164 13.398 -2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.252 13.224 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.027 14.382 -3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.275 11.453 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.680 11.964 -5.497 1.00 0.00 H new ATOM 768 N VAL A 56 1.064 10.359 -1.720 1.00 0.00 N ATOM 769 CA VAL A 56 0.747 8.978 -1.952 1.00 0.00 C ATOM 770 C VAL A 56 -0.345 8.707 -0.964 1.00 0.00 C ATOM 771 O VAL A 56 -0.283 9.177 0.171 1.00 0.00 O ATOM 772 CB VAL A 56 1.936 8.059 -1.724 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.650 6.680 -2.359 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.191 8.744 -2.313 1.00 0.00 C ATOM 0 H VAL A 56 1.653 10.518 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 56 0.456 8.791 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 56 2.112 7.884 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.502 6.020 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.762 6.245 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.484 6.800 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.060 8.103 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.046 8.913 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.353 9.699 -1.813 1.00 0.00 H new ATOM 784 N GLY A 57 -1.392 7.964 -1.366 1.00 0.00 N ATOM 785 CA GLY A 57 -2.538 7.750 -0.528 1.00 0.00 C ATOM 786 C GLY A 57 -2.588 6.282 -0.335 1.00 0.00 C ATOM 787 O GLY A 57 -2.085 5.516 -1.160 1.00 0.00 O ATOM 0 H GLY A 57 -1.447 7.508 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.437 8.272 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.449 8.120 -0.999 1.00 0.00 H new ATOM 791 N ILE A 58 -3.160 5.864 0.803 1.00 0.00 N ATOM 792 CA ILE A 58 -2.948 4.556 1.334 1.00 0.00 C ATOM 793 C ILE A 58 -4.311 4.036 1.652 1.00 0.00 C ATOM 794 O ILE A 58 -5.269 4.381 0.961 1.00 0.00 O ATOM 795 CB ILE A 58 -1.987 4.592 2.515 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.408 5.577 3.630 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.579 4.943 1.974 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.488 5.473 4.848 1.00 0.00 C ATOM 0 H ILE A 58 -3.782 6.444 1.366 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.458 3.882 0.632 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.994 3.610 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.387 6.596 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.435 5.371 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.131 4.976 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.266 4.185 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.610 5.916 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.814 6.180 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.529 4.460 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.465 5.705 4.552 1.00 0.00 H new ATOM 810 N ILE A 59 -4.429 3.159 2.677 1.00 0.00 N ATOM 811 CA ILE A 59 -5.689 2.539 3.019 1.00 0.00 C ATOM 812 C ILE A 59 -6.513 3.561 3.740 1.00 0.00 C ATOM 813 O ILE A 59 -6.181 3.981 4.848 1.00 0.00 O ATOM 814 CB ILE A 59 -5.620 1.313 3.925 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.412 0.409 3.624 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.961 0.549 3.827 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.337 -0.133 2.204 1.00 0.00 C ATOM 0 H ILE A 59 -3.650 2.877 3.272 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.103 2.191 2.073 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.467 1.648 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.500 0.970 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.430 -0.433 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.926 -0.331 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.775 1.200 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.128 0.238 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.449 -0.757 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.226 -0.728 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.282 0.697 1.500 1.00 0.00 H new ATOM 829 N VAL A 60 -7.618 3.980 3.110 1.00 0.00 N ATOM 830 CA VAL A 60 -8.567 4.893 3.659 1.00 0.00 C ATOM 831 C VAL A 60 -9.744 4.012 3.982 1.00 0.00 C ATOM 832 O VAL A 60 -10.579 3.692 3.136 1.00 0.00 O ATOM 833 CB VAL A 60 -8.918 5.995 2.674 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.887 6.992 3.320 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.614 6.678 2.201 1.00 0.00 C ATOM 0 H VAL A 60 -7.863 3.667 2.171 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.195 5.427 4.534 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.422 5.577 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.131 7.777 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.799 6.474 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.420 7.435 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.855 7.471 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.094 7.103 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.973 5.942 1.717 1.00 0.00 H new