USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 18 ASN : amide:sc= -12.4! C(o=-13!,f=-27!) USER MOD Set 1.2: A 21 THR OG1 : rot -160:sc= -0.407 USER MOD Set 2.1: A 8 ASN : amide:sc= -10.1! C(o=-13!,f=-19!) USER MOD Set 2.2: A 31 THR OG1 : rot -15:sc= -3.12! USER MOD Single : A 1 ARG N :NH3+ 145:sc= -0.708 (180deg=-2.82!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0043 X(o=-0.0043,f=-0.0043) USER MOD Single : A 12 ASN : amide:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 16 ASN : amide:sc= -3.2! C(o=-3.2!,f=-6.8!) USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= -0.201 (180deg=-1.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00452 K(o=-0.0045,f=-1.5!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= -0.28 (180deg=-1.53!) USER MOD Single : A 46 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.38) USER MOD Single : A 51 ASN : amide:sc= -0.029 X(o=-0.029,f=-0.38) USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 1.02 (180deg=-0.833) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.536 67.962 81.565 1.00 0.00 N ATOM 2 CA ARG A 1 10.406 67.885 82.772 1.00 0.00 C ATOM 3 C ARG A 1 11.112 66.527 82.808 1.00 0.00 C ATOM 4 O ARG A 1 10.694 65.598 82.144 1.00 0.00 O ATOM 5 CB ARG A 1 9.548 68.045 84.030 1.00 0.00 C ATOM 6 CG ARG A 1 8.244 67.262 83.864 1.00 0.00 C ATOM 7 CD ARG A 1 8.149 66.190 84.952 1.00 0.00 C ATOM 8 NE ARG A 1 6.955 66.449 85.806 1.00 0.00 N ATOM 9 CZ ARG A 1 5.905 65.679 85.710 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.050 64.385 85.624 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.711 66.206 85.699 1.00 0.00 N ATOM 0 H1 ARG A 1 8.679 68.506 81.789 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.053 68.432 80.794 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.269 67.002 81.268 1.00 0.00 H new ATOM 0 HA ARG A 1 11.150 68.681 82.734 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.093 67.684 84.902 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.332 69.099 84.203 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.391 67.938 83.929 1.00 0.00 H new ATOM 0 HG3 ARG A 1 8.209 66.798 82.878 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.076 65.202 84.498 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.053 66.195 85.562 1.00 0.00 H new ATOM 0 HE ARG A 1 6.958 67.227 86.465 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.984 63.975 85.632 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.229 63.784 85.549 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.599 67.218 85.765 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.889 65.606 85.624 1.00 0.00 H new ATOM 27 N PRO A 2 12.161 66.450 83.587 1.00 0.00 N ATOM 28 CA PRO A 2 12.945 65.213 83.738 1.00 0.00 C ATOM 29 C PRO A 2 12.203 64.221 84.636 1.00 0.00 C ATOM 30 O PRO A 2 11.159 64.522 85.181 1.00 0.00 O ATOM 31 CB PRO A 2 14.242 65.687 84.400 1.00 0.00 C ATOM 32 CG PRO A 2 13.910 67.028 85.096 1.00 0.00 C ATOM 33 CD PRO A 2 12.659 67.586 84.392 1.00 0.00 C ATOM 0 HA PRO A 2 13.121 64.697 82.794 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.601 64.953 85.121 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.031 65.818 83.659 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.723 66.878 86.159 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.744 67.725 85.015 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.913 67.922 85.112 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.904 68.443 83.764 1.00 0.00 H new ATOM 41 N CYS A 3 12.728 63.038 84.790 1.00 0.00 N ATOM 42 CA CYS A 3 12.049 62.028 85.647 1.00 0.00 C ATOM 43 C CYS A 3 12.015 62.519 87.096 1.00 0.00 C ATOM 44 O CYS A 3 12.930 62.290 87.862 1.00 0.00 O ATOM 45 CB CYS A 3 12.815 60.707 85.576 1.00 0.00 C ATOM 46 SG CYS A 3 11.848 59.408 86.384 1.00 0.00 S ATOM 0 H CYS A 3 13.599 62.727 84.359 1.00 0.00 H new ATOM 0 HA CYS A 3 11.029 61.880 85.293 1.00 0.00 H new ATOM 0 HB2 CYS A 3 13.006 60.440 84.537 1.00 0.00 H new ATOM 0 HB3 CYS A 3 13.785 60.810 86.062 1.00 0.00 H new ATOM 51 N GLN A 4 10.964 63.196 87.479 1.00 0.00 N ATOM 52 CA GLN A 4 10.871 63.700 88.879 1.00 0.00 C ATOM 53 C GLN A 4 9.540 63.257 89.497 1.00 0.00 C ATOM 54 O GLN A 4 8.527 63.910 89.343 1.00 0.00 O ATOM 55 CB GLN A 4 10.942 65.230 88.874 1.00 0.00 C ATOM 56 CG GLN A 4 12.265 65.684 89.493 1.00 0.00 C ATOM 57 CD GLN A 4 12.032 66.954 90.312 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.448 66.906 91.376 1.00 0.00 O ATOM 59 NE2 GLN A 4 12.465 68.098 89.857 1.00 0.00 N ATOM 0 H GLN A 4 10.168 63.421 86.883 1.00 0.00 H new ATOM 0 HA GLN A 4 11.696 63.296 89.465 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.859 65.605 87.854 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.105 65.645 89.435 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.671 64.897 90.129 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.000 65.872 88.710 1.00 0.00 H new ATOM 0 HE21 GLN A 4 12.955 68.139 88.964 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.313 68.951 90.395 1.00 0.00 H new ATOM 68 N CYS A 5 9.530 62.150 90.194 1.00 0.00 N ATOM 69 CA CYS A 5 8.257 61.673 90.815 1.00 0.00 C ATOM 70 C CYS A 5 8.371 61.753 92.340 1.00 0.00 C ATOM 71 O CYS A 5 8.721 60.789 92.984 1.00 0.00 O ATOM 72 CB CYS A 5 7.962 60.213 90.414 1.00 0.00 C ATOM 73 SG CYS A 5 9.254 59.556 89.320 1.00 0.00 S ATOM 0 H CYS A 5 10.344 61.558 90.360 1.00 0.00 H new ATOM 0 HA CYS A 5 7.445 62.308 90.461 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.891 59.595 91.309 1.00 0.00 H new ATOM 0 HB3 CYS A 5 6.996 60.159 89.912 1.00 0.00 H new ATOM 78 N ASN A 6 8.079 62.895 92.916 1.00 0.00 N ATOM 79 CA ASN A 6 8.172 63.049 94.407 1.00 0.00 C ATOM 80 C ASN A 6 7.747 61.752 95.115 1.00 0.00 C ATOM 81 O ASN A 6 8.527 60.832 95.258 1.00 0.00 O ATOM 82 CB ASN A 6 7.263 64.196 94.853 1.00 0.00 C ATOM 83 CG ASN A 6 7.861 65.530 94.404 1.00 0.00 C ATOM 84 OD1 ASN A 6 8.876 65.957 94.919 1.00 0.00 O ATOM 85 ND2 ASN A 6 7.270 66.212 93.461 1.00 0.00 N ATOM 0 H ASN A 6 7.779 63.732 92.417 1.00 0.00 H new ATOM 0 HA ASN A 6 9.206 63.267 94.674 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.267 64.071 94.427 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.150 64.183 95.937 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.660 67.104 93.156 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.418 65.853 93.029 1.00 0.00 H new ATOM 92 N ASP A 7 6.521 61.672 95.568 1.00 0.00 N ATOM 93 CA ASP A 7 6.062 60.435 96.264 1.00 0.00 C ATOM 94 C ASP A 7 7.150 59.932 97.218 1.00 0.00 C ATOM 95 O ASP A 7 7.237 60.356 98.353 1.00 0.00 O ATOM 96 CB ASP A 7 5.750 59.357 95.226 1.00 0.00 C ATOM 97 CG ASP A 7 4.314 59.527 94.730 1.00 0.00 C ATOM 98 OD1 ASP A 7 3.465 59.867 95.540 1.00 0.00 O ATOM 99 OD2 ASP A 7 4.084 59.317 93.551 1.00 0.00 O ATOM 0 H ASP A 7 5.821 62.409 95.485 1.00 0.00 H new ATOM 0 HA ASP A 7 5.165 60.660 96.840 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.446 59.430 94.390 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.880 58.367 95.664 1.00 0.00 H new ATOM 104 N ASN A 8 7.976 59.021 96.774 1.00 0.00 N ATOM 105 CA ASN A 8 9.047 58.489 97.665 1.00 0.00 C ATOM 106 C ASN A 8 10.311 58.206 96.858 1.00 0.00 C ATOM 107 O ASN A 8 10.715 57.077 96.699 1.00 0.00 O ATOM 108 CB ASN A 8 8.557 57.195 98.315 1.00 0.00 C ATOM 109 CG ASN A 8 7.076 57.336 98.669 1.00 0.00 C ATOM 110 OD1 ASN A 8 6.235 56.677 98.091 1.00 0.00 O ATOM 111 ND2 ASN A 8 6.720 58.177 99.600 1.00 0.00 N ATOM 0 H ASN A 8 7.955 58.624 95.835 1.00 0.00 H new ATOM 0 HA ASN A 8 9.277 59.228 98.432 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.702 56.356 97.635 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.138 56.982 99.212 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.735 58.282 99.843 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.427 58.730 100.085 1.00 0.00 H new ATOM 118 N ILE A 9 10.953 59.227 96.370 1.00 0.00 N ATOM 119 CA ILE A 9 12.208 59.020 95.599 1.00 0.00 C ATOM 120 C ILE A 9 13.172 60.150 95.943 1.00 0.00 C ATOM 121 O ILE A 9 12.787 61.164 96.489 1.00 0.00 O ATOM 122 CB ILE A 9 11.924 59.027 94.095 1.00 0.00 C ATOM 123 CG1 ILE A 9 11.345 60.380 93.689 1.00 0.00 C ATOM 124 CG2 ILE A 9 10.920 57.925 93.750 1.00 0.00 C ATOM 125 CD1 ILE A 9 12.481 61.331 93.298 1.00 0.00 C ATOM 0 H ILE A 9 10.662 60.199 96.472 1.00 0.00 H new ATOM 0 HA ILE A 9 12.641 58.054 95.859 1.00 0.00 H new ATOM 0 HB ILE A 9 12.855 58.850 93.557 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.657 60.256 92.852 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.771 60.803 94.513 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.722 57.936 92.678 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.331 56.956 94.034 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.990 58.097 94.292 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.064 62.296 93.009 1.00 0.00 H new ATOM 0 HD12 ILE A 9 13.152 61.465 94.147 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.036 60.910 92.460 1.00 0.00 H new ATOM 137 N ASP A 10 14.420 59.986 95.631 1.00 0.00 N ATOM 138 CA ASP A 10 15.413 61.055 95.942 1.00 0.00 C ATOM 139 C ASP A 10 15.801 61.772 94.638 1.00 0.00 C ATOM 140 O ASP A 10 16.460 61.200 93.794 1.00 0.00 O ATOM 141 CB ASP A 10 16.661 60.423 96.562 1.00 0.00 C ATOM 142 CG ASP A 10 16.375 60.049 98.017 1.00 0.00 C ATOM 143 OD1 ASP A 10 15.379 60.517 98.544 1.00 0.00 O ATOM 144 OD2 ASP A 10 17.157 59.300 98.581 1.00 0.00 O ATOM 0 H ASP A 10 14.802 59.158 95.173 1.00 0.00 H new ATOM 0 HA ASP A 10 14.980 61.769 96.643 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.951 59.537 95.998 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.497 61.120 96.512 1.00 0.00 H new ATOM 149 N PRO A 11 15.363 63.006 94.511 1.00 0.00 N ATOM 150 CA PRO A 11 15.627 63.831 93.314 1.00 0.00 C ATOM 151 C PRO A 11 17.055 64.380 93.325 1.00 0.00 C ATOM 152 O PRO A 11 17.498 65.000 92.378 1.00 0.00 O ATOM 153 CB PRO A 11 14.616 64.970 93.432 1.00 0.00 C ATOM 154 CG PRO A 11 14.224 65.060 94.924 1.00 0.00 C ATOM 155 CD PRO A 11 14.565 63.696 95.549 1.00 0.00 C ATOM 0 HA PRO A 11 15.531 63.265 92.387 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.049 65.909 93.088 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.740 64.777 92.812 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.770 65.862 95.421 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.163 65.282 95.033 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.131 63.813 96.473 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.663 63.135 95.796 1.00 0.00 H new ATOM 163 N ASN A 12 17.773 64.163 94.382 1.00 0.00 N ATOM 164 CA ASN A 12 19.170 64.681 94.445 1.00 0.00 C ATOM 165 C ASN A 12 20.081 63.763 93.628 1.00 0.00 C ATOM 166 O ASN A 12 20.550 64.127 92.568 1.00 0.00 O ATOM 167 CB ASN A 12 19.647 64.705 95.899 1.00 0.00 C ATOM 168 CG ASN A 12 18.636 65.463 96.764 1.00 0.00 C ATOM 169 OD1 ASN A 12 18.321 65.041 97.859 1.00 0.00 O ATOM 170 ND2 ASN A 12 18.113 66.572 96.318 1.00 0.00 N ATOM 0 H ASN A 12 17.459 63.651 95.207 1.00 0.00 H new ATOM 0 HA ASN A 12 19.202 65.692 94.039 1.00 0.00 H new ATOM 0 HB2 ASN A 12 19.765 63.687 96.269 1.00 0.00 H new ATOM 0 HB3 ASN A 12 20.625 65.183 95.963 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.440 67.084 96.888 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.377 66.927 95.399 1.00 0.00 H new ATOM 177 N ALA A 13 20.329 62.574 94.103 1.00 0.00 N ATOM 178 CA ALA A 13 21.204 61.641 93.339 1.00 0.00 C ATOM 179 C ALA A 13 20.546 61.324 91.993 1.00 0.00 C ATOM 180 O ALA A 13 19.358 61.504 91.816 1.00 0.00 O ATOM 181 CB ALA A 13 21.387 60.348 94.137 1.00 0.00 C ATOM 0 H ALA A 13 19.965 62.209 94.983 1.00 0.00 H new ATOM 0 HA ALA A 13 22.177 62.103 93.171 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.027 59.664 93.580 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.849 60.576 95.098 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.416 59.882 94.303 1.00 0.00 H new ATOM 187 N VAL A 14 21.305 60.853 91.041 1.00 0.00 N ATOM 188 CA VAL A 14 20.714 60.529 89.711 1.00 0.00 C ATOM 189 C VAL A 14 20.566 59.012 89.578 1.00 0.00 C ATOM 190 O VAL A 14 21.305 58.254 90.175 1.00 0.00 O ATOM 191 CB VAL A 14 21.630 61.052 88.603 1.00 0.00 C ATOM 192 CG1 VAL A 14 21.092 60.607 87.242 1.00 0.00 C ATOM 193 CG2 VAL A 14 21.672 62.582 88.660 1.00 0.00 C ATOM 0 H VAL A 14 22.306 60.679 91.126 1.00 0.00 H new ATOM 0 HA VAL A 14 19.735 61.000 89.623 1.00 0.00 H new ATOM 0 HB VAL A 14 22.635 60.653 88.743 1.00 0.00 H new ATOM 0 HG11 VAL A 14 21.745 60.980 86.453 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.060 59.518 87.202 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.087 61.005 87.100 1.00 0.00 H new ATOM 0 HG21 VAL A 14 22.324 62.958 87.872 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.667 62.979 88.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 22.055 62.900 89.630 1.00 0.00 H new ATOM 203 N GLY A 15 19.611 58.560 88.810 1.00 0.00 N ATOM 204 CA GLY A 15 19.421 57.089 88.656 1.00 0.00 C ATOM 205 C GLY A 15 18.140 56.663 89.391 1.00 0.00 C ATOM 206 O GLY A 15 17.763 55.508 89.368 1.00 0.00 O ATOM 0 H GLY A 15 18.958 59.142 88.286 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.352 56.828 87.600 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.281 56.555 89.061 1.00 0.00 H new ATOM 210 N ASN A 16 17.468 57.580 90.055 1.00 0.00 N ATOM 211 CA ASN A 16 16.226 57.204 90.794 1.00 0.00 C ATOM 212 C ASN A 16 15.162 56.630 89.839 1.00 0.00 C ATOM 213 O ASN A 16 14.121 56.165 90.271 1.00 0.00 O ATOM 214 CB ASN A 16 15.666 58.441 91.498 1.00 0.00 C ATOM 215 CG ASN A 16 16.536 58.776 92.714 1.00 0.00 C ATOM 216 OD1 ASN A 16 16.177 58.472 93.834 1.00 0.00 O ATOM 217 ND2 ASN A 16 17.671 59.397 92.539 1.00 0.00 N ATOM 0 H ASN A 16 17.728 58.565 90.114 1.00 0.00 H new ATOM 0 HA ASN A 16 16.477 56.436 91.525 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.644 59.286 90.809 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.638 58.259 91.812 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.256 59.627 93.342 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.973 59.652 91.599 1.00 0.00 H new ATOM 224 N CYS A 17 15.399 56.649 88.554 1.00 0.00 N ATOM 225 CA CYS A 17 14.388 56.102 87.609 1.00 0.00 C ATOM 226 C CYS A 17 15.023 54.981 86.787 1.00 0.00 C ATOM 227 O CYS A 17 16.192 54.682 86.926 1.00 0.00 O ATOM 228 CB CYS A 17 13.910 57.216 86.675 1.00 0.00 C ATOM 229 SG CYS A 17 13.155 58.537 87.654 1.00 0.00 S ATOM 0 H CYS A 17 16.246 57.018 88.121 1.00 0.00 H new ATOM 0 HA CYS A 17 13.538 55.709 88.166 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.749 57.608 86.100 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.189 56.821 85.959 1.00 0.00 H new ATOM 234 N ASN A 18 14.259 54.350 85.939 1.00 0.00 N ATOM 235 CA ASN A 18 14.828 53.239 85.124 1.00 0.00 C ATOM 236 C ASN A 18 15.310 53.829 83.789 1.00 0.00 C ATOM 237 O ASN A 18 14.623 54.616 83.171 1.00 0.00 O ATOM 238 CB ASN A 18 13.763 52.150 84.873 1.00 0.00 C ATOM 239 CG ASN A 18 12.592 52.258 85.866 1.00 0.00 C ATOM 240 OD1 ASN A 18 12.667 52.939 86.865 1.00 0.00 O ATOM 241 ND2 ASN A 18 11.496 51.591 85.624 1.00 0.00 N ATOM 0 H ASN A 18 13.273 54.553 85.775 1.00 0.00 H new ATOM 0 HA ASN A 18 15.659 52.775 85.655 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.385 52.238 83.854 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.223 51.165 84.958 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.712 51.646 86.274 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.424 51.015 84.785 1.00 0.00 H new ATOM 248 N ARG A 19 16.498 53.491 83.358 1.00 0.00 N ATOM 249 CA ARG A 19 17.025 54.073 82.087 1.00 0.00 C ATOM 250 C ARG A 19 16.281 53.526 80.862 1.00 0.00 C ATOM 251 O ARG A 19 16.445 54.024 79.766 1.00 0.00 O ATOM 252 CB ARG A 19 18.513 53.738 81.961 1.00 0.00 C ATOM 253 CG ARG A 19 18.690 52.240 81.702 1.00 0.00 C ATOM 254 CD ARG A 19 19.148 51.550 82.986 1.00 0.00 C ATOM 255 NE ARG A 19 20.363 50.735 82.704 1.00 0.00 N ATOM 256 CZ ARG A 19 21.232 50.514 83.651 1.00 0.00 C ATOM 257 NH1 ARG A 19 20.830 50.373 84.886 1.00 0.00 N ATOM 258 NH2 ARG A 19 22.502 50.432 83.366 1.00 0.00 N ATOM 0 H ARG A 19 17.125 52.839 83.830 1.00 0.00 H new ATOM 0 HA ARG A 19 16.875 55.152 82.121 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.956 54.311 81.147 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.037 54.023 82.873 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.751 51.806 81.359 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.422 52.081 80.910 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.365 52.293 83.753 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.352 50.914 83.374 1.00 0.00 H new ATOM 0 HE ARG A 19 20.515 50.350 81.772 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.837 50.436 85.109 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.509 50.200 85.627 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.816 50.541 82.402 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.181 50.259 84.107 1.00 0.00 H new ATOM 272 N LEU A 20 15.481 52.506 81.014 1.00 0.00 N ATOM 273 CA LEU A 20 14.767 51.959 79.820 1.00 0.00 C ATOM 274 C LEU A 20 13.303 52.425 79.793 1.00 0.00 C ATOM 275 O LEU A 20 12.815 52.880 78.778 1.00 0.00 O ATOM 276 CB LEU A 20 14.834 50.425 79.820 1.00 0.00 C ATOM 277 CG LEU A 20 14.276 49.863 81.130 1.00 0.00 C ATOM 278 CD1 LEU A 20 12.862 49.330 80.896 1.00 0.00 C ATOM 279 CD2 LEU A 20 15.173 48.722 81.612 1.00 0.00 C ATOM 0 H LEU A 20 15.291 52.032 81.897 1.00 0.00 H new ATOM 0 HA LEU A 20 15.261 52.337 78.925 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.266 50.031 78.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.866 50.100 79.689 1.00 0.00 H new ATOM 0 HG LEU A 20 14.247 50.652 81.882 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.465 48.930 81.829 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.221 50.140 80.547 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.890 48.540 80.145 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.779 48.319 82.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.197 47.935 80.858 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.183 49.098 81.777 1.00 0.00 H new ATOM 291 N THR A 21 12.591 52.318 80.885 1.00 0.00 N ATOM 292 CA THR A 21 11.166 52.760 80.886 1.00 0.00 C ATOM 293 C THR A 21 11.077 54.231 81.308 1.00 0.00 C ATOM 294 O THR A 21 10.128 54.919 80.987 1.00 0.00 O ATOM 295 CB THR A 21 10.366 51.900 81.868 1.00 0.00 C ATOM 296 OG1 THR A 21 11.253 51.051 82.578 1.00 0.00 O ATOM 297 CG2 THR A 21 9.352 51.055 81.098 1.00 0.00 C ATOM 0 H THR A 21 12.933 51.946 81.771 1.00 0.00 H new ATOM 0 HA THR A 21 10.756 52.649 79.882 1.00 0.00 H new ATOM 0 HB THR A 21 9.838 52.544 82.571 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.752 50.300 82.959 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.783 50.443 81.797 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.672 51.710 80.552 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.877 50.409 80.394 1.00 0.00 H new ATOM 305 N GLY A 22 12.052 54.721 82.027 1.00 0.00 N ATOM 306 CA GLY A 22 12.006 56.147 82.466 1.00 0.00 C ATOM 307 C GLY A 22 10.932 56.318 83.549 1.00 0.00 C ATOM 308 O GLY A 22 9.977 57.047 83.373 1.00 0.00 O ATOM 0 H GLY A 22 12.875 54.199 82.328 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.979 56.450 82.853 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.786 56.793 81.616 1.00 0.00 H new ATOM 312 N GLU A 23 11.076 55.649 84.666 1.00 0.00 N ATOM 313 CA GLU A 23 10.061 55.776 85.748 1.00 0.00 C ATOM 314 C GLU A 23 10.752 55.639 87.108 1.00 0.00 C ATOM 315 O GLU A 23 11.814 55.060 87.213 1.00 0.00 O ATOM 316 CB GLU A 23 9.016 54.668 85.591 1.00 0.00 C ATOM 317 CG GLU A 23 7.625 55.291 85.464 1.00 0.00 C ATOM 318 CD GLU A 23 7.409 55.766 84.027 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.091 54.937 83.191 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.568 56.951 83.785 1.00 0.00 O ATOM 0 H GLU A 23 11.853 55.022 84.872 1.00 0.00 H new ATOM 0 HA GLU A 23 9.573 56.749 85.684 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.238 54.066 84.710 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.049 53.998 86.450 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.862 54.562 85.736 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.526 56.129 86.154 1.00 0.00 H new ATOM 327 N CYS A 24 10.162 56.169 88.146 1.00 0.00 N ATOM 328 CA CYS A 24 10.789 56.069 89.497 1.00 0.00 C ATOM 329 C CYS A 24 10.849 54.600 89.928 1.00 0.00 C ATOM 330 O CYS A 24 9.835 53.979 90.182 1.00 0.00 O ATOM 331 CB CYS A 24 9.948 56.856 90.505 1.00 0.00 C ATOM 332 SG CYS A 24 10.514 58.575 90.561 1.00 0.00 S ATOM 0 H CYS A 24 9.272 56.667 88.117 1.00 0.00 H new ATOM 0 HA CYS A 24 11.798 56.479 89.459 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.896 56.818 90.223 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.030 56.404 91.493 1.00 0.00 H new ATOM 337 N LEU A 25 12.025 54.038 90.028 1.00 0.00 N ATOM 338 CA LEU A 25 12.121 52.608 90.462 1.00 0.00 C ATOM 339 C LEU A 25 13.102 52.471 91.633 1.00 0.00 C ATOM 340 O LEU A 25 13.890 51.550 91.701 1.00 0.00 O ATOM 341 CB LEU A 25 12.491 51.687 89.272 1.00 0.00 C ATOM 342 CG LEU A 25 13.952 51.834 88.791 1.00 0.00 C ATOM 343 CD1 LEU A 25 14.509 53.228 89.066 1.00 0.00 C ATOM 344 CD2 LEU A 25 14.827 50.787 89.466 1.00 0.00 C ATOM 0 H LEU A 25 12.914 54.498 89.831 1.00 0.00 H new ATOM 0 HA LEU A 25 11.143 52.282 90.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.318 50.650 89.561 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.822 51.902 88.439 1.00 0.00 H new ATOM 0 HG LEU A 25 13.959 51.683 87.711 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.538 53.285 88.711 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.904 53.971 88.546 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.483 53.425 90.138 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.856 50.896 89.122 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.789 50.923 90.547 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.464 49.791 89.213 1.00 0.00 H new ATOM 356 N LYS A 26 13.044 53.388 92.561 1.00 0.00 N ATOM 357 CA LYS A 26 13.956 53.337 93.743 1.00 0.00 C ATOM 358 C LYS A 26 13.289 54.063 94.920 1.00 0.00 C ATOM 359 O LYS A 26 13.722 55.123 95.323 1.00 0.00 O ATOM 360 CB LYS A 26 15.262 54.049 93.399 1.00 0.00 C ATOM 361 CG LYS A 26 16.403 53.471 94.237 1.00 0.00 C ATOM 362 CD LYS A 26 17.215 54.615 94.848 1.00 0.00 C ATOM 363 CE LYS A 26 18.524 54.782 94.074 1.00 0.00 C ATOM 364 NZ LYS A 26 19.312 53.520 94.153 1.00 0.00 N ATOM 0 H LYS A 26 12.398 54.178 92.552 1.00 0.00 H new ATOM 0 HA LYS A 26 14.158 52.300 94.009 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.482 53.932 92.338 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.165 55.118 93.588 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.003 52.833 95.025 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.045 52.846 93.616 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.640 55.541 94.816 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.425 54.406 95.897 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.315 55.028 93.033 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.100 55.610 94.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.323 53.747 94.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.005 52.970 94.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.159 52.960 93.290 1.00 0.00 H new ATOM 378 N CYS A 27 12.231 53.516 95.467 1.00 0.00 N ATOM 379 CA CYS A 27 11.543 54.199 96.599 1.00 0.00 C ATOM 380 C CYS A 27 12.552 54.511 97.714 1.00 0.00 C ATOM 381 O CYS A 27 13.543 53.829 97.881 1.00 0.00 O ATOM 382 CB CYS A 27 10.434 53.287 97.136 1.00 0.00 C ATOM 383 SG CYS A 27 9.183 53.040 95.850 1.00 0.00 S ATOM 0 H CYS A 27 11.818 52.629 95.178 1.00 0.00 H new ATOM 0 HA CYS A 27 11.108 55.135 96.250 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.853 52.328 97.441 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.979 53.732 98.021 1.00 0.00 H new ATOM 388 N ILE A 28 12.302 55.552 98.470 1.00 0.00 N ATOM 389 CA ILE A 28 13.238 55.934 99.572 1.00 0.00 C ATOM 390 C ILE A 28 12.665 55.567 100.940 1.00 0.00 C ATOM 391 O ILE A 28 13.278 54.852 101.706 1.00 0.00 O ATOM 392 CB ILE A 28 13.518 57.445 99.538 1.00 0.00 C ATOM 393 CG1 ILE A 28 12.496 58.190 98.678 1.00 0.00 C ATOM 394 CG2 ILE A 28 14.905 57.698 98.960 1.00 0.00 C ATOM 395 CD1 ILE A 28 12.425 59.651 99.125 1.00 0.00 C ATOM 0 H ILE A 28 11.486 56.156 98.370 1.00 0.00 H new ATOM 0 HA ILE A 28 14.165 55.382 99.418 1.00 0.00 H new ATOM 0 HB ILE A 28 13.451 57.812 100.562 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.778 58.133 97.627 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.516 57.722 98.771 1.00 0.00 H new ATOM 0 HG21 ILE A 28 15.100 58.770 98.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 15.653 57.206 99.581 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.955 57.299 97.947 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.697 60.184 98.513 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.123 59.697 100.171 1.00 0.00 H new ATOM 0 HD13 ILE A 28 13.405 60.115 99.010 1.00 0.00 H new ATOM 407 N TYR A 29 11.523 56.090 101.265 1.00 0.00 N ATOM 408 CA TYR A 29 10.905 55.814 102.603 1.00 0.00 C ATOM 409 C TYR A 29 10.242 54.420 102.649 1.00 0.00 C ATOM 410 O TYR A 29 9.128 54.280 103.111 1.00 0.00 O ATOM 411 CB TYR A 29 9.836 56.871 102.896 1.00 0.00 C ATOM 412 CG TYR A 29 10.431 58.256 102.786 1.00 0.00 C ATOM 413 CD1 TYR A 29 11.411 58.675 103.695 1.00 0.00 C ATOM 414 CD2 TYR A 29 9.994 59.126 101.780 1.00 0.00 C ATOM 415 CE1 TYR A 29 11.953 59.962 103.596 1.00 0.00 C ATOM 416 CE2 TYR A 29 10.535 60.413 101.682 1.00 0.00 C ATOM 417 CZ TYR A 29 11.515 60.832 102.589 1.00 0.00 C ATOM 418 OH TYR A 29 12.048 62.100 102.493 1.00 0.00 O ATOM 0 H TYR A 29 10.978 56.705 100.660 1.00 0.00 H new ATOM 0 HA TYR A 29 11.699 55.846 103.349 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.008 56.766 102.195 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.429 56.720 103.896 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.748 58.005 104.472 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.239 58.804 101.079 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.709 60.284 104.296 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.196 61.083 100.906 1.00 0.00 H new ATOM 0 HH TYR A 29 11.635 62.572 101.740 1.00 0.00 H new ATOM 428 N ASN A 30 10.913 53.392 102.201 1.00 0.00 N ATOM 429 CA ASN A 30 10.318 52.021 102.252 1.00 0.00 C ATOM 430 C ASN A 30 8.900 52.030 101.679 1.00 0.00 C ATOM 431 O ASN A 30 7.938 51.742 102.366 1.00 0.00 O ATOM 432 CB ASN A 30 10.272 51.535 103.702 1.00 0.00 C ATOM 433 CG ASN A 30 11.660 51.042 104.123 1.00 0.00 C ATOM 434 OD1 ASN A 30 12.659 51.635 103.767 1.00 0.00 O ATOM 435 ND2 ASN A 30 11.767 49.977 104.872 1.00 0.00 N ATOM 0 H ASN A 30 11.850 53.441 101.801 1.00 0.00 H new ATOM 0 HA ASN A 30 10.937 51.351 101.655 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.948 52.344 104.357 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.543 50.731 103.804 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.688 49.644 105.157 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.929 49.478 105.172 1.00 0.00 H new ATOM 442 N THR A 31 8.762 52.340 100.424 1.00 0.00 N ATOM 443 CA THR A 31 7.405 52.350 99.808 1.00 0.00 C ATOM 444 C THR A 31 7.405 51.403 98.605 1.00 0.00 C ATOM 445 O THR A 31 8.442 51.083 98.059 1.00 0.00 O ATOM 446 CB THR A 31 7.053 53.767 99.348 1.00 0.00 C ATOM 447 OG1 THR A 31 7.414 53.918 97.987 1.00 0.00 O ATOM 448 CG2 THR A 31 7.806 54.795 100.196 1.00 0.00 C ATOM 0 H THR A 31 9.527 52.587 99.796 1.00 0.00 H new ATOM 0 HA THR A 31 6.665 52.024 100.539 1.00 0.00 H new ATOM 0 HB THR A 31 5.981 53.929 99.465 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.012 53.188 97.724 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.550 55.800 99.862 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.526 54.678 101.243 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.879 54.640 100.088 1.00 0.00 H new ATOM 456 N ALA A 32 6.257 50.940 98.195 1.00 0.00 N ATOM 457 CA ALA A 32 6.207 50.001 97.035 1.00 0.00 C ATOM 458 C ALA A 32 5.438 50.642 95.878 1.00 0.00 C ATOM 459 O ALA A 32 5.224 51.834 95.846 1.00 0.00 O ATOM 460 CB ALA A 32 5.507 48.709 97.460 1.00 0.00 C ATOM 0 H ALA A 32 5.354 51.169 98.610 1.00 0.00 H new ATOM 0 HA ALA A 32 7.223 49.778 96.708 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.469 48.021 96.615 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.060 48.248 98.279 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.493 48.936 97.789 1.00 0.00 H new ATOM 466 N GLY A 33 5.023 49.856 94.922 1.00 0.00 N ATOM 467 CA GLY A 33 4.269 50.420 93.766 1.00 0.00 C ATOM 468 C GLY A 33 5.249 50.880 92.689 1.00 0.00 C ATOM 469 O GLY A 33 6.350 51.310 92.974 1.00 0.00 O ATOM 0 H GLY A 33 5.173 48.848 94.891 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.592 49.669 93.359 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.654 51.258 94.094 1.00 0.00 H new ATOM 473 N PHE A 34 4.857 50.788 91.449 1.00 0.00 N ATOM 474 CA PHE A 34 5.765 51.211 90.344 1.00 0.00 C ATOM 475 C PHE A 34 6.245 52.653 90.583 1.00 0.00 C ATOM 476 O PHE A 34 7.350 53.008 90.224 1.00 0.00 O ATOM 477 CB PHE A 34 5.017 51.115 89.001 1.00 0.00 C ATOM 478 CG PHE A 34 5.995 51.129 87.840 1.00 0.00 C ATOM 479 CD1 PHE A 34 7.226 50.467 87.942 1.00 0.00 C ATOM 480 CD2 PHE A 34 5.668 51.807 86.653 1.00 0.00 C ATOM 481 CE1 PHE A 34 8.124 50.481 86.869 1.00 0.00 C ATOM 482 CE2 PHE A 34 6.568 51.819 85.581 1.00 0.00 C ATOM 483 CZ PHE A 34 7.796 51.157 85.690 1.00 0.00 C ATOM 0 H PHE A 34 3.946 50.438 91.152 1.00 0.00 H new ATOM 0 HA PHE A 34 6.634 50.554 90.317 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.425 50.200 88.973 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.321 51.948 88.906 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.482 49.944 88.852 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.721 52.319 86.568 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.071 49.969 86.952 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.314 52.339 84.669 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.491 51.168 84.863 1.00 0.00 H new ATOM 493 N TYR A 35 5.437 53.487 91.191 1.00 0.00 N ATOM 494 CA TYR A 35 5.878 54.889 91.447 1.00 0.00 C ATOM 495 C TYR A 35 5.868 55.155 92.954 1.00 0.00 C ATOM 496 O TYR A 35 5.500 56.221 93.403 1.00 0.00 O ATOM 497 CB TYR A 35 4.931 55.879 90.759 1.00 0.00 C ATOM 498 CG TYR A 35 4.249 55.221 89.582 1.00 0.00 C ATOM 499 CD1 TYR A 35 4.920 55.104 88.359 1.00 0.00 C ATOM 500 CD2 TYR A 35 2.944 54.734 89.714 1.00 0.00 C ATOM 501 CE1 TYR A 35 4.284 54.501 87.268 1.00 0.00 C ATOM 502 CE2 TYR A 35 2.308 54.129 88.623 1.00 0.00 C ATOM 503 CZ TYR A 35 2.978 54.014 87.401 1.00 0.00 C ATOM 504 OH TYR A 35 2.352 53.420 86.325 1.00 0.00 O ATOM 0 H TYR A 35 4.498 53.258 91.518 1.00 0.00 H new ATOM 0 HA TYR A 35 6.884 55.020 91.049 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.184 56.232 91.470 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.489 56.753 90.423 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.928 55.479 88.258 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.427 54.825 90.658 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.800 54.411 86.324 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.301 53.752 88.725 1.00 0.00 H new ATOM 0 HH TYR A 35 1.451 53.136 86.586 1.00 0.00 H new ATOM 514 N CYS A 36 6.264 54.190 93.740 1.00 0.00 N ATOM 515 CA CYS A 36 6.271 54.387 95.217 1.00 0.00 C ATOM 516 C CYS A 36 4.892 54.868 95.670 1.00 0.00 C ATOM 517 O CYS A 36 4.762 55.877 96.336 1.00 0.00 O ATOM 518 CB CYS A 36 7.329 55.424 95.598 1.00 0.00 C ATOM 519 SG CYS A 36 8.950 54.868 95.016 1.00 0.00 S ATOM 0 H CYS A 36 6.583 53.275 93.423 1.00 0.00 H new ATOM 0 HA CYS A 36 6.507 53.442 95.707 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.083 56.390 95.157 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.346 55.563 96.679 1.00 0.00 H new ATOM 524 N ASP A 37 3.861 54.153 95.313 1.00 0.00 N ATOM 525 CA ASP A 37 2.486 54.564 95.719 1.00 0.00 C ATOM 526 C ASP A 37 1.966 53.612 96.797 1.00 0.00 C ATOM 527 O ASP A 37 0.816 53.668 97.185 1.00 0.00 O ATOM 528 CB ASP A 37 1.556 54.505 94.504 1.00 0.00 C ATOM 529 CG ASP A 37 1.602 55.839 93.759 1.00 0.00 C ATOM 530 OD1 ASP A 37 2.539 56.587 93.980 1.00 0.00 O ATOM 531 OD2 ASP A 37 0.698 56.092 92.978 1.00 0.00 O ATOM 0 H ASP A 37 3.911 53.300 94.756 1.00 0.00 H new ATOM 0 HA ASP A 37 2.514 55.581 96.111 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.859 53.695 93.840 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.536 54.290 94.824 1.00 0.00 H new ATOM 536 N ARG A 38 2.801 52.735 97.282 1.00 0.00 N ATOM 537 CA ARG A 38 2.354 51.781 98.326 1.00 0.00 C ATOM 538 C ARG A 38 3.352 51.777 99.483 1.00 0.00 C ATOM 539 O ARG A 38 4.216 52.625 99.585 1.00 0.00 O ATOM 540 CB ARG A 38 2.268 50.379 97.724 1.00 0.00 C ATOM 541 CG ARG A 38 1.096 49.623 98.351 1.00 0.00 C ATOM 542 CD ARG A 38 1.538 48.203 98.707 1.00 0.00 C ATOM 543 NE ARG A 38 0.591 47.621 99.697 1.00 0.00 N ATOM 544 CZ ARG A 38 0.137 48.357 100.674 1.00 0.00 C ATOM 545 NH1 ARG A 38 0.915 48.663 101.675 1.00 0.00 N ATOM 546 NH2 ARG A 38 -1.094 48.789 100.647 1.00 0.00 N ATOM 0 H ARG A 38 3.776 52.641 96.997 1.00 0.00 H new ATOM 0 HA ARG A 38 1.375 52.083 98.697 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.136 50.443 96.644 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.198 49.839 97.900 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.750 50.143 99.245 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.257 49.591 97.656 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.568 47.585 97.810 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.547 48.217 99.118 1.00 0.00 H new ATOM 0 HE ARG A 38 0.297 46.648 99.612 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.878 48.327 101.694 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.561 49.238 102.439 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.701 48.551 99.862 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.449 49.364 101.411 1.00 0.00 H new ATOM 560 N CYS A 39 3.234 50.817 100.348 1.00 0.00 N ATOM 561 CA CYS A 39 4.154 50.721 101.517 1.00 0.00 C ATOM 562 C CYS A 39 4.878 49.366 101.464 1.00 0.00 C ATOM 563 O CYS A 39 4.269 48.351 101.190 1.00 0.00 O ATOM 564 CB CYS A 39 3.309 50.833 102.796 1.00 0.00 C ATOM 565 SG CYS A 39 3.206 52.566 103.311 1.00 0.00 S ATOM 0 H CYS A 39 2.529 50.081 100.298 1.00 0.00 H new ATOM 0 HA CYS A 39 4.898 51.517 101.503 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.309 50.436 102.619 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.753 50.233 103.590 1.00 0.00 H new ATOM 570 N LYS A 40 6.169 49.329 101.701 1.00 0.00 N ATOM 571 CA LYS A 40 6.885 48.021 101.632 1.00 0.00 C ATOM 572 C LYS A 40 6.230 47.023 102.591 1.00 0.00 C ATOM 573 O LYS A 40 5.745 47.381 103.646 1.00 0.00 O ATOM 574 CB LYS A 40 8.347 48.221 102.036 1.00 0.00 C ATOM 575 CG LYS A 40 9.015 46.859 102.240 1.00 0.00 C ATOM 576 CD LYS A 40 10.531 47.044 102.331 1.00 0.00 C ATOM 577 CE LYS A 40 11.231 46.024 101.430 1.00 0.00 C ATOM 578 NZ LYS A 40 10.627 44.676 101.638 1.00 0.00 N ATOM 0 H LYS A 40 6.747 50.136 101.935 1.00 0.00 H new ATOM 0 HA LYS A 40 6.833 47.635 100.614 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.874 48.784 101.265 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.404 48.806 102.954 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.640 46.390 103.150 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.768 46.193 101.413 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.802 48.056 102.030 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.861 46.919 103.362 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.135 46.320 100.385 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.297 45.995 101.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.346 43.944 101.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.277 44.599 102.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.836 44.544 100.975 1.00 0.00 H new ATOM 592 N GLU A 41 6.207 45.770 102.223 1.00 0.00 N ATOM 593 CA GLU A 41 5.579 44.741 103.100 1.00 0.00 C ATOM 594 C GLU A 41 6.289 44.720 104.456 1.00 0.00 C ATOM 595 O GLU A 41 7.494 44.574 104.532 1.00 0.00 O ATOM 596 CB GLU A 41 5.709 43.365 102.440 1.00 0.00 C ATOM 597 CG GLU A 41 4.421 43.035 101.683 1.00 0.00 C ATOM 598 CD GLU A 41 4.588 43.392 100.205 1.00 0.00 C ATOM 599 OE1 GLU A 41 4.627 44.573 99.901 1.00 0.00 O ATOM 600 OE2 GLU A 41 4.676 42.478 99.401 1.00 0.00 O ATOM 0 H GLU A 41 6.597 45.414 101.350 1.00 0.00 H new ATOM 0 HA GLU A 41 4.526 44.982 103.245 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.557 43.358 101.755 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.903 42.605 103.196 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.187 41.975 101.787 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.585 43.589 102.109 1.00 0.00 H new ATOM 607 N GLY A 42 5.560 44.883 105.528 1.00 0.00 N ATOM 608 CA GLY A 42 6.200 44.893 106.867 1.00 0.00 C ATOM 609 C GLY A 42 5.838 46.208 107.524 1.00 0.00 C ATOM 610 O GLY A 42 5.659 46.296 108.722 1.00 0.00 O ATOM 0 H GLY A 42 4.548 45.009 105.530 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.850 44.053 107.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.282 44.792 106.778 1.00 0.00 H new ATOM 614 N PHE A 43 5.684 47.225 106.730 1.00 0.00 N ATOM 615 CA PHE A 43 5.283 48.530 107.284 1.00 0.00 C ATOM 616 C PHE A 43 4.066 49.037 106.531 1.00 0.00 C ATOM 617 O PHE A 43 4.026 49.083 105.318 1.00 0.00 O ATOM 618 CB PHE A 43 6.399 49.549 107.155 1.00 0.00 C ATOM 619 CG PHE A 43 7.720 48.912 107.514 1.00 0.00 C ATOM 620 CD1 PHE A 43 8.382 48.112 106.575 1.00 0.00 C ATOM 621 CD2 PHE A 43 8.283 49.120 108.779 1.00 0.00 C ATOM 622 CE1 PHE A 43 9.606 47.518 106.901 1.00 0.00 C ATOM 623 CE2 PHE A 43 9.509 48.524 109.105 1.00 0.00 C ATOM 624 CZ PHE A 43 10.170 47.725 108.165 1.00 0.00 C ATOM 0 H PHE A 43 5.820 47.203 105.719 1.00 0.00 H new ATOM 0 HA PHE A 43 5.055 48.397 108.342 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.436 49.934 106.136 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.205 50.399 107.810 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.948 47.953 105.599 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.773 49.739 109.503 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.116 46.900 106.177 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.943 48.681 110.081 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.116 47.268 108.415 1.00 0.00 H new ATOM 634 N PHE A 44 3.080 49.420 107.261 1.00 0.00 N ATOM 635 CA PHE A 44 1.824 49.944 106.643 1.00 0.00 C ATOM 636 C PHE A 44 1.731 51.451 106.895 1.00 0.00 C ATOM 637 O PHE A 44 2.549 52.023 107.584 1.00 0.00 O ATOM 638 CB PHE A 44 0.604 49.252 107.262 1.00 0.00 C ATOM 639 CG PHE A 44 0.992 47.879 107.759 1.00 0.00 C ATOM 640 CD1 PHE A 44 1.588 46.961 106.887 1.00 0.00 C ATOM 641 CD2 PHE A 44 0.751 47.524 109.092 1.00 0.00 C ATOM 642 CE1 PHE A 44 1.948 45.689 107.348 1.00 0.00 C ATOM 643 CE2 PHE A 44 1.110 46.252 109.553 1.00 0.00 C ATOM 644 CZ PHE A 44 1.707 45.333 108.681 1.00 0.00 C ATOM 0 H PHE A 44 3.077 49.397 108.281 1.00 0.00 H new ATOM 0 HA PHE A 44 1.842 49.745 105.572 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.214 49.850 108.086 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.193 49.170 106.523 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.770 47.234 105.858 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.288 48.231 109.764 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.412 44.982 106.676 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.926 45.979 110.582 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.981 44.351 109.036 1.00 0.00 H new ATOM 654 N GLY A 45 0.742 52.103 106.351 1.00 0.00 N ATOM 655 CA GLY A 45 0.621 53.572 106.578 1.00 0.00 C ATOM 656 C GLY A 45 0.167 54.274 105.299 1.00 0.00 C ATOM 657 O GLY A 45 -0.590 53.738 104.514 1.00 0.00 O ATOM 0 H GLY A 45 0.018 51.688 105.764 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.093 53.765 107.379 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.580 53.976 106.901 1.00 0.00 H new ATOM 661 N ASN A 46 0.616 55.481 105.097 1.00 0.00 N ATOM 662 CA ASN A 46 0.205 56.241 103.878 1.00 0.00 C ATOM 663 C ASN A 46 1.426 56.928 103.257 1.00 0.00 C ATOM 664 O ASN A 46 1.860 57.952 103.741 1.00 0.00 O ATOM 665 CB ASN A 46 -0.819 57.308 104.276 1.00 0.00 C ATOM 666 CG ASN A 46 -2.201 56.664 104.402 1.00 0.00 C ATOM 667 OD1 ASN A 46 -2.643 55.967 103.510 1.00 0.00 O ATOM 668 ND2 ASN A 46 -2.908 56.868 105.482 1.00 0.00 N ATOM 0 H ASN A 46 1.251 55.977 105.723 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.231 55.553 103.153 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.532 57.768 105.222 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.842 58.102 103.529 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.830 56.442 105.576 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.538 57.453 106.231 1.00 0.00 H new ATOM 675 N PRO A 47 1.942 56.354 102.199 1.00 0.00 N ATOM 676 CA PRO A 47 3.121 56.903 101.506 1.00 0.00 C ATOM 677 C PRO A 47 2.732 58.136 100.682 1.00 0.00 C ATOM 678 O PRO A 47 3.554 58.738 100.020 1.00 0.00 O ATOM 679 CB PRO A 47 3.583 55.750 100.612 1.00 0.00 C ATOM 680 CG PRO A 47 2.354 54.831 100.416 1.00 0.00 C ATOM 681 CD PRO A 47 1.396 55.125 101.587 1.00 0.00 C ATOM 0 HA PRO A 47 3.905 57.238 102.185 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.946 56.123 99.654 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.406 55.205 101.075 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.870 55.029 99.460 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.651 53.782 100.412 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.374 55.273 101.238 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.373 54.301 102.300 1.00 0.00 H new ATOM 689 N LEU A 48 1.486 58.521 100.732 1.00 0.00 N ATOM 690 CA LEU A 48 1.040 59.720 99.969 1.00 0.00 C ATOM 691 C LEU A 48 0.718 60.846 100.957 1.00 0.00 C ATOM 692 O LEU A 48 -0.240 61.576 100.792 1.00 0.00 O ATOM 693 CB LEU A 48 -0.216 59.375 99.165 1.00 0.00 C ATOM 694 CG LEU A 48 0.107 59.403 97.671 1.00 0.00 C ATOM 695 CD1 LEU A 48 0.764 60.738 97.317 1.00 0.00 C ATOM 696 CD2 LEU A 48 1.066 58.258 97.333 1.00 0.00 C ATOM 0 H LEU A 48 0.756 58.055 101.270 1.00 0.00 H new ATOM 0 HA LEU A 48 1.829 60.039 99.288 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.583 58.389 99.450 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.010 60.087 99.389 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.813 59.287 97.099 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.995 60.759 96.252 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.082 61.554 97.557 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.684 60.854 97.890 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.296 58.278 96.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.987 58.373 97.905 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.599 57.306 97.585 1.00 0.00 H new ATOM 708 N ALA A 49 1.507 60.984 101.991 1.00 0.00 N ATOM 709 CA ALA A 49 1.246 62.050 102.998 1.00 0.00 C ATOM 710 C ALA A 49 2.394 63.068 102.974 1.00 0.00 C ATOM 711 O ALA A 49 3.491 62.748 102.560 1.00 0.00 O ATOM 712 CB ALA A 49 1.149 61.409 104.388 1.00 0.00 C ATOM 0 H ALA A 49 2.323 60.401 102.180 1.00 0.00 H new ATOM 0 HA ALA A 49 0.312 62.561 102.765 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.958 62.182 105.133 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.334 60.685 104.399 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.086 60.904 104.622 1.00 0.00 H new ATOM 718 N PRO A 50 2.107 64.266 103.425 1.00 0.00 N ATOM 719 CA PRO A 50 3.103 65.352 103.471 1.00 0.00 C ATOM 720 C PRO A 50 4.075 65.126 104.631 1.00 0.00 C ATOM 721 O PRO A 50 5.140 65.708 104.687 1.00 0.00 O ATOM 722 CB PRO A 50 2.256 66.609 103.696 1.00 0.00 C ATOM 723 CG PRO A 50 0.924 66.131 104.316 1.00 0.00 C ATOM 724 CD PRO A 50 0.772 64.647 103.933 1.00 0.00 C ATOM 0 HA PRO A 50 3.714 65.418 102.571 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.765 67.307 104.360 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.081 67.133 102.756 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.934 66.253 105.399 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.087 66.717 103.937 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.485 64.041 104.792 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.002 64.508 103.174 1.00 0.00 H new ATOM 732 N ASN A 51 3.716 64.275 105.553 1.00 0.00 N ATOM 733 CA ASN A 51 4.618 64.000 106.707 1.00 0.00 C ATOM 734 C ASN A 51 5.404 62.711 106.433 1.00 0.00 C ATOM 735 O ASN A 51 4.818 61.696 106.111 1.00 0.00 O ATOM 736 CB ASN A 51 3.777 63.823 107.974 1.00 0.00 C ATOM 737 CG ASN A 51 4.260 64.799 109.051 1.00 0.00 C ATOM 738 OD1 ASN A 51 5.288 64.585 109.664 1.00 0.00 O ATOM 739 ND2 ASN A 51 3.558 65.870 109.311 1.00 0.00 N ATOM 0 H ASN A 51 2.837 63.758 105.557 1.00 0.00 H new ATOM 0 HA ASN A 51 5.310 64.831 106.842 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.725 64.002 107.752 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.857 62.798 108.336 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.873 66.525 110.027 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.695 66.051 108.798 1.00 0.00 H new ATOM 746 N PRO A 52 6.708 62.780 106.569 1.00 0.00 N ATOM 747 CA PRO A 52 7.584 61.617 106.340 1.00 0.00 C ATOM 748 C PRO A 52 7.502 60.642 107.523 1.00 0.00 C ATOM 749 O PRO A 52 7.842 59.481 107.401 1.00 0.00 O ATOM 750 CB PRO A 52 8.982 62.233 106.230 1.00 0.00 C ATOM 751 CG PRO A 52 8.912 63.603 106.943 1.00 0.00 C ATOM 752 CD PRO A 52 7.427 64.010 106.964 1.00 0.00 C ATOM 0 HA PRO A 52 7.310 61.041 105.456 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.728 61.590 106.697 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.273 62.353 105.186 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.310 63.534 107.956 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.510 64.346 106.415 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.121 64.350 107.954 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.228 64.827 106.271 1.00 0.00 H new ATOM 760 N ALA A 53 7.050 61.097 108.664 1.00 0.00 N ATOM 761 CA ALA A 53 6.948 60.184 109.838 1.00 0.00 C ATOM 762 C ALA A 53 5.564 59.528 109.854 1.00 0.00 C ATOM 763 O ALA A 53 5.212 58.825 110.782 1.00 0.00 O ATOM 764 CB ALA A 53 7.148 60.986 111.126 1.00 0.00 C ATOM 0 H ALA A 53 6.749 62.057 108.831 1.00 0.00 H new ATOM 0 HA ALA A 53 7.715 59.413 109.768 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.074 60.319 111.985 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.132 61.454 111.114 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.381 61.757 111.197 1.00 0.00 H new ATOM 770 N ASP A 54 4.775 59.755 108.838 1.00 0.00 N ATOM 771 CA ASP A 54 3.412 59.151 108.799 1.00 0.00 C ATOM 772 C ASP A 54 3.273 58.243 107.571 1.00 0.00 C ATOM 773 O ASP A 54 2.227 57.675 107.326 1.00 0.00 O ATOM 774 CB ASP A 54 2.371 60.269 108.719 1.00 0.00 C ATOM 775 CG ASP A 54 2.201 60.907 110.099 1.00 0.00 C ATOM 776 OD1 ASP A 54 2.470 60.232 111.079 1.00 0.00 O ATOM 777 OD2 ASP A 54 1.808 62.060 110.153 1.00 0.00 O ATOM 0 H ASP A 54 5.016 60.333 108.033 1.00 0.00 H new ATOM 0 HA ASP A 54 3.256 58.558 109.700 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.684 61.021 107.995 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.418 59.869 108.371 1.00 0.00 H new ATOM 782 N LYS A 55 4.311 58.108 106.789 1.00 0.00 N ATOM 783 CA LYS A 55 4.215 57.242 105.573 1.00 0.00 C ATOM 784 C LYS A 55 4.114 55.762 105.977 1.00 0.00 C ATOM 785 O LYS A 55 3.103 55.340 106.505 1.00 0.00 O ATOM 786 CB LYS A 55 5.428 57.481 104.672 1.00 0.00 C ATOM 787 CG LYS A 55 5.275 58.843 103.992 1.00 0.00 C ATOM 788 CD LYS A 55 6.623 59.293 103.428 1.00 0.00 C ATOM 789 CE LYS A 55 6.487 60.701 102.845 1.00 0.00 C ATOM 790 NZ LYS A 55 7.814 61.170 102.358 1.00 0.00 N ATOM 0 H LYS A 55 5.216 58.555 106.936 1.00 0.00 H new ATOM 0 HA LYS A 55 3.313 57.501 105.018 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.346 57.453 105.259 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.504 56.692 103.924 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.538 58.780 103.191 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.906 59.578 104.707 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.379 59.284 104.213 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.957 58.599 102.657 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.768 60.699 102.026 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.104 61.384 103.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.077 62.045 102.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.530 60.438 102.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.763 61.355 101.336 1.00 0.00 H new ATOM 804 N CYS A 56 5.130 54.964 105.733 1.00 0.00 N ATOM 805 CA CYS A 56 5.046 53.524 106.115 1.00 0.00 C ATOM 806 C CYS A 56 5.778 53.307 107.443 1.00 0.00 C ATOM 807 O CYS A 56 6.754 53.966 107.738 1.00 0.00 O ATOM 808 CB CYS A 56 5.696 52.659 105.030 1.00 0.00 C ATOM 809 SG CYS A 56 5.126 53.189 103.395 1.00 0.00 S ATOM 0 H CYS A 56 6.004 55.248 105.290 1.00 0.00 H new ATOM 0 HA CYS A 56 3.999 53.241 106.221 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.781 52.740 105.090 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.445 51.610 105.190 1.00 0.00 H new ATOM 814 N LYS A 57 5.312 52.383 108.238 1.00 0.00 N ATOM 815 CA LYS A 57 5.969 52.106 109.548 1.00 0.00 C ATOM 816 C LYS A 57 5.560 50.710 110.031 1.00 0.00 C ATOM 817 O LYS A 57 4.647 50.103 109.502 1.00 0.00 O ATOM 818 CB LYS A 57 5.520 53.147 110.578 1.00 0.00 C ATOM 819 CG LYS A 57 6.567 54.259 110.678 1.00 0.00 C ATOM 820 CD LYS A 57 7.573 53.922 111.781 1.00 0.00 C ATOM 821 CE LYS A 57 7.265 54.754 113.027 1.00 0.00 C ATOM 822 NZ LYS A 57 6.582 53.899 114.039 1.00 0.00 N ATOM 0 H LYS A 57 4.498 51.803 108.035 1.00 0.00 H new ATOM 0 HA LYS A 57 7.051 52.155 109.430 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.556 53.567 110.289 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.383 52.675 111.551 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.083 54.373 109.725 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.081 55.211 110.894 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.524 52.860 112.019 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.587 54.125 111.437 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.187 55.162 113.442 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.632 55.601 112.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.372 54.464 114.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.695 53.531 113.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.202 53.105 114.297 1.00 0.00 H new ATOM 836 N ALA A 58 6.229 50.196 111.027 1.00 0.00 N ATOM 837 CA ALA A 58 5.878 48.840 111.538 1.00 0.00 C ATOM 838 C ALA A 58 4.562 48.911 112.313 1.00 0.00 C ATOM 839 O ALA A 58 3.815 49.850 112.090 1.00 0.00 O ATOM 840 CB ALA A 58 6.989 48.343 112.464 1.00 0.00 C ATOM 841 OXT ALA A 58 4.321 48.024 113.116 1.00 0.00 O ATOM 0 H ALA A 58 7.002 50.655 111.508 1.00 0.00 H new ATOM 0 HA ALA A 58 5.768 48.153 110.699 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.734 47.352 112.839 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.927 48.292 111.912 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.099 49.031 113.303 1.00 0.00 H new TER 847 ALA A 58