USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=7 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 8 ASN : amide:sc= -14.5! C(o=-17!,f=-17!) USER MOD Set 1.2: A 31 THR OG1 : rot -90:sc= -2.03! USER MOD Set 2.1: A 18 ASN : amide:sc= -15.2! C(o=-18!,f=-23!) USER MOD Set 2.2: A 21 THR OG1 : rot 180:sc= -3.11! USER MOD Single : A 1 ARG N :NH3+ 144:sc= -0.589 (180deg=-2.71!) USER MOD Single : A 4 GLN : amide:sc= -0.659 K(o=-0.66,f=-6!) USER MOD Single : A 6 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.067) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -7.88! C(o=-7.9!,f=-5.8!) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.285 (180deg=-1.48!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.9!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 0.0256 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.492 69.374 87.571 1.00 0.00 N ATOM 2 CA ARG A 1 17.744 67.976 88.024 1.00 0.00 C ATOM 3 C ARG A 1 17.263 66.995 86.949 1.00 0.00 C ATOM 4 O ARG A 1 16.458 67.345 86.110 1.00 0.00 O ATOM 5 CB ARG A 1 16.982 67.718 89.324 1.00 0.00 C ATOM 6 CG ARG A 1 15.560 68.266 89.197 1.00 0.00 C ATOM 7 CD ARG A 1 15.245 69.148 90.405 1.00 0.00 C ATOM 8 NE ARG A 1 13.860 69.686 90.280 1.00 0.00 N ATOM 9 CZ ARG A 1 13.501 70.324 89.199 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.391 70.964 88.493 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.251 70.321 88.825 1.00 0.00 N ATOM 0 H1 ARG A 1 17.224 69.960 88.387 1.00 0.00 H new ATOM 0 H2 ARG A 1 18.355 69.759 87.136 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.721 69.379 86.873 1.00 0.00 H new ATOM 0 HA ARG A 1 18.812 67.836 88.192 1.00 0.00 H new ATOM 0 HB2 ARG A 1 16.954 66.649 89.536 1.00 0.00 H new ATOM 0 HB3 ARG A 1 17.494 68.195 90.159 1.00 0.00 H new ATOM 0 HG2 ARG A 1 15.461 68.842 88.277 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.846 67.445 89.137 1.00 0.00 H new ATOM 0 HD2 ARG A 1 15.341 68.571 91.325 1.00 0.00 H new ATOM 0 HD3 ARG A 1 15.961 69.968 90.467 1.00 0.00 H new ATOM 0 HE ARG A 1 13.192 69.555 91.040 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.368 70.966 88.785 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.110 71.462 87.649 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.555 69.820 89.377 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.970 70.819 87.981 1.00 0.00 H new ATOM 27 N PRO A 2 17.770 65.787 87.011 1.00 0.00 N ATOM 28 CA PRO A 2 17.406 64.724 86.055 1.00 0.00 C ATOM 29 C PRO A 2 16.034 64.132 86.404 1.00 0.00 C ATOM 30 O PRO A 2 15.224 64.766 87.053 1.00 0.00 O ATOM 31 CB PRO A 2 18.515 63.683 86.240 1.00 0.00 C ATOM 32 CG PRO A 2 19.107 63.923 87.649 1.00 0.00 C ATOM 33 CD PRO A 2 18.752 65.369 88.034 1.00 0.00 C ATOM 0 HA PRO A 2 17.327 65.079 85.028 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.117 62.672 86.153 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.282 63.791 85.473 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.692 63.217 88.369 1.00 0.00 H new ATOM 0 HG3 PRO A 2 20.187 63.777 87.646 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.329 65.421 89.037 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.633 66.011 88.026 1.00 0.00 H new ATOM 41 N CYS A 3 15.772 62.924 85.971 1.00 0.00 N ATOM 42 CA CYS A 3 14.459 62.270 86.261 1.00 0.00 C ATOM 43 C CYS A 3 13.972 62.649 87.660 1.00 0.00 C ATOM 44 O CYS A 3 14.755 62.864 88.565 1.00 0.00 O ATOM 45 CB CYS A 3 14.632 60.751 86.197 1.00 0.00 C ATOM 46 SG CYS A 3 13.559 60.066 84.910 1.00 0.00 S ATOM 0 H CYS A 3 16.419 62.357 85.423 1.00 0.00 H new ATOM 0 HA CYS A 3 13.729 62.604 85.524 1.00 0.00 H new ATOM 0 HB2 CYS A 3 15.672 60.503 85.986 1.00 0.00 H new ATOM 0 HB3 CYS A 3 14.387 60.307 87.162 1.00 0.00 H new ATOM 51 N GLN A 4 12.683 62.724 87.848 1.00 0.00 N ATOM 52 CA GLN A 4 12.146 63.081 89.192 1.00 0.00 C ATOM 53 C GLN A 4 10.615 63.053 89.165 1.00 0.00 C ATOM 54 O GLN A 4 9.984 63.807 88.449 1.00 0.00 O ATOM 55 CB GLN A 4 12.623 64.484 89.577 1.00 0.00 C ATOM 56 CG GLN A 4 11.831 64.980 90.791 1.00 0.00 C ATOM 57 CD GLN A 4 12.556 66.167 91.427 1.00 0.00 C ATOM 58 OE1 GLN A 4 13.432 66.754 90.824 1.00 0.00 O ATOM 59 NE2 GLN A 4 12.225 66.548 92.631 1.00 0.00 N ATOM 0 H GLN A 4 11.979 62.554 87.130 1.00 0.00 H new ATOM 0 HA GLN A 4 12.506 62.358 89.925 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.688 64.467 89.807 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.489 65.168 88.739 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.827 65.275 90.487 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.720 64.176 91.519 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.489 66.055 93.138 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.702 67.338 93.065 1.00 0.00 H new ATOM 68 N CYS A 5 10.011 62.199 89.950 1.00 0.00 N ATOM 69 CA CYS A 5 8.521 62.137 89.980 1.00 0.00 C ATOM 70 C CYS A 5 8.041 62.667 91.331 1.00 0.00 C ATOM 71 O CYS A 5 8.782 62.700 92.292 1.00 0.00 O ATOM 72 CB CYS A 5 8.019 60.691 89.804 1.00 0.00 C ATOM 73 SG CYS A 5 9.352 59.598 89.240 1.00 0.00 S ATOM 0 H CYS A 5 10.485 61.543 90.571 1.00 0.00 H new ATOM 0 HA CYS A 5 8.128 62.739 89.160 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.620 60.324 90.750 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.201 60.672 89.084 1.00 0.00 H new ATOM 78 N ASN A 6 6.808 63.078 91.418 1.00 0.00 N ATOM 79 CA ASN A 6 6.292 63.598 92.714 1.00 0.00 C ATOM 80 C ASN A 6 5.928 62.420 93.620 1.00 0.00 C ATOM 81 O ASN A 6 4.795 61.982 93.658 1.00 0.00 O ATOM 82 CB ASN A 6 5.048 64.453 92.461 1.00 0.00 C ATOM 83 CG ASN A 6 5.474 65.872 92.078 1.00 0.00 C ATOM 84 OD1 ASN A 6 5.006 66.414 91.097 1.00 0.00 O ATOM 85 ND2 ASN A 6 6.346 66.500 92.817 1.00 0.00 N ATOM 0 H ASN A 6 6.136 63.077 90.650 1.00 0.00 H new ATOM 0 HA ASN A 6 7.057 64.207 93.196 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.448 64.014 91.664 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.423 64.478 93.354 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.635 67.447 92.571 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.739 66.044 93.641 1.00 0.00 H new ATOM 92 N ASP A 7 6.880 61.894 94.346 1.00 0.00 N ATOM 93 CA ASP A 7 6.579 60.740 95.239 1.00 0.00 C ATOM 94 C ASP A 7 7.787 60.452 96.144 1.00 0.00 C ATOM 95 O ASP A 7 8.429 61.355 96.639 1.00 0.00 O ATOM 96 CB ASP A 7 6.256 59.514 94.379 1.00 0.00 C ATOM 97 CG ASP A 7 7.473 59.148 93.525 1.00 0.00 C ATOM 98 OD1 ASP A 7 8.566 59.562 93.875 1.00 0.00 O ATOM 99 OD2 ASP A 7 7.291 58.460 92.535 1.00 0.00 O ATOM 0 H ASP A 7 7.849 62.213 94.358 1.00 0.00 H new ATOM 0 HA ASP A 7 5.722 60.975 95.870 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.980 58.673 95.016 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.399 59.723 93.738 1.00 0.00 H new ATOM 104 N ASN A 8 8.095 59.199 96.373 1.00 0.00 N ATOM 105 CA ASN A 8 9.250 58.856 97.254 1.00 0.00 C ATOM 106 C ASN A 8 10.493 58.578 96.408 1.00 0.00 C ATOM 107 O ASN A 8 10.829 57.443 96.132 1.00 0.00 O ATOM 108 CB ASN A 8 8.897 57.614 98.072 1.00 0.00 C ATOM 109 CG ASN A 8 8.280 58.039 99.406 1.00 0.00 C ATOM 110 OD1 ASN A 8 8.874 58.794 100.151 1.00 0.00 O ATOM 111 ND2 ASN A 8 7.105 57.584 99.741 1.00 0.00 N ATOM 0 H ASN A 8 7.594 58.399 95.986 1.00 0.00 H new ATOM 0 HA ASN A 8 9.460 59.693 97.920 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.197 56.988 97.519 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.791 57.015 98.247 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.684 57.862 100.628 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.606 56.951 99.116 1.00 0.00 H new ATOM 118 N ILE A 9 11.190 59.610 96.018 1.00 0.00 N ATOM 119 CA ILE A 9 12.427 59.424 95.210 1.00 0.00 C ATOM 120 C ILE A 9 13.405 60.555 95.523 1.00 0.00 C ATOM 121 O ILE A 9 13.013 61.655 95.861 1.00 0.00 O ATOM 122 CB ILE A 9 12.082 59.444 93.724 1.00 0.00 C ATOM 123 CG1 ILE A 9 11.223 60.671 93.411 1.00 0.00 C ATOM 124 CG2 ILE A 9 11.313 58.173 93.372 1.00 0.00 C ATOM 125 CD1 ILE A 9 12.061 61.690 92.637 1.00 0.00 C ATOM 0 H ILE A 9 10.953 60.580 96.226 1.00 0.00 H new ATOM 0 HA ILE A 9 12.882 58.465 95.457 1.00 0.00 H new ATOM 0 HB ILE A 9 12.998 59.492 93.135 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.352 60.379 92.825 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.852 61.115 94.335 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.063 58.181 92.311 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.929 57.302 93.593 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.396 58.128 93.960 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.452 62.566 92.412 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.918 61.989 93.240 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.410 61.242 91.707 1.00 0.00 H new ATOM 137 N ASP A 10 14.676 60.295 95.418 1.00 0.00 N ATOM 138 CA ASP A 10 15.682 61.354 95.713 1.00 0.00 C ATOM 139 C ASP A 10 16.326 61.823 94.399 1.00 0.00 C ATOM 140 O ASP A 10 16.813 61.015 93.635 1.00 0.00 O ATOM 141 CB ASP A 10 16.765 60.781 96.632 1.00 0.00 C ATOM 142 CG ASP A 10 16.481 61.198 98.076 1.00 0.00 C ATOM 143 OD1 ASP A 10 15.488 61.873 98.291 1.00 0.00 O ATOM 144 OD2 ASP A 10 17.260 60.835 98.941 1.00 0.00 O ATOM 0 H ASP A 10 15.064 59.394 95.140 1.00 0.00 H new ATOM 0 HA ASP A 10 15.194 62.197 96.203 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.786 59.694 96.553 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.746 61.142 96.324 1.00 0.00 H new ATOM 149 N PRO A 11 16.305 63.117 94.170 1.00 0.00 N ATOM 150 CA PRO A 11 16.879 63.713 92.946 1.00 0.00 C ATOM 151 C PRO A 11 18.408 63.748 93.020 1.00 0.00 C ATOM 152 O PRO A 11 19.082 63.938 92.027 1.00 0.00 O ATOM 153 CB PRO A 11 16.304 65.132 92.931 1.00 0.00 C ATOM 154 CG PRO A 11 15.909 65.456 94.390 1.00 0.00 C ATOM 155 CD PRO A 11 15.716 64.103 95.100 1.00 0.00 C ATOM 0 HA PRO A 11 16.636 63.147 92.047 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.040 65.846 92.560 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.439 65.194 92.271 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.684 66.045 94.880 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.993 66.046 94.422 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.217 64.086 96.068 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.662 63.897 95.284 1.00 0.00 H new ATOM 163 N ASN A 12 18.961 63.570 94.186 1.00 0.00 N ATOM 164 CA ASN A 12 20.447 63.599 94.314 1.00 0.00 C ATOM 165 C ASN A 12 21.027 62.253 93.872 1.00 0.00 C ATOM 166 O ASN A 12 21.644 62.145 92.832 1.00 0.00 O ATOM 167 CB ASN A 12 20.829 63.864 95.772 1.00 0.00 C ATOM 168 CG ASN A 12 20.114 65.122 96.266 1.00 0.00 C ATOM 169 OD1 ASN A 12 19.124 65.038 96.965 1.00 0.00 O ATOM 170 ND2 ASN A 12 20.579 66.295 95.931 1.00 0.00 N ATOM 0 H ASN A 12 18.452 63.406 95.055 1.00 0.00 H new ATOM 0 HA ASN A 12 20.849 64.391 93.682 1.00 0.00 H new ATOM 0 HB2 ASN A 12 20.555 63.010 96.392 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.908 63.988 95.859 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.111 67.141 96.256 1.00 0.00 H new ATOM 0 HD22 ASN A 12 21.410 66.365 95.344 1.00 0.00 H new ATOM 177 N ALA A 13 20.835 61.226 94.656 1.00 0.00 N ATOM 178 CA ALA A 13 21.380 59.891 94.282 1.00 0.00 C ATOM 179 C ALA A 13 20.860 59.489 92.899 1.00 0.00 C ATOM 180 O ALA A 13 20.066 60.185 92.295 1.00 0.00 O ATOM 181 CB ALA A 13 20.936 58.852 95.314 1.00 0.00 C ATOM 0 H ALA A 13 20.324 61.255 95.539 1.00 0.00 H new ATOM 0 HA ALA A 13 22.469 59.941 94.258 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.334 57.875 95.041 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.310 59.134 96.298 1.00 0.00 H new ATOM 0 HB3 ALA A 13 19.847 58.806 95.339 1.00 0.00 H new ATOM 187 N VAL A 14 21.302 58.370 92.394 1.00 0.00 N ATOM 188 CA VAL A 14 20.837 57.918 91.053 1.00 0.00 C ATOM 189 C VAL A 14 20.044 56.617 91.203 1.00 0.00 C ATOM 190 O VAL A 14 20.112 55.952 92.216 1.00 0.00 O ATOM 191 CB VAL A 14 22.052 57.676 90.153 1.00 0.00 C ATOM 192 CG1 VAL A 14 21.627 56.895 88.908 1.00 0.00 C ATOM 193 CG2 VAL A 14 22.646 59.022 89.730 1.00 0.00 C ATOM 0 H VAL A 14 21.967 57.748 92.854 1.00 0.00 H new ATOM 0 HA VAL A 14 20.200 58.682 90.608 1.00 0.00 H new ATOM 0 HB VAL A 14 22.798 57.101 90.701 1.00 0.00 H new ATOM 0 HG11 VAL A 14 22.495 56.725 88.271 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.203 55.936 89.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.879 57.466 88.358 1.00 0.00 H new ATOM 0 HG21 VAL A 14 23.511 58.853 89.089 1.00 0.00 H new ATOM 0 HG22 VAL A 14 21.897 59.595 89.184 1.00 0.00 H new ATOM 0 HG23 VAL A 14 22.954 59.578 90.615 1.00 0.00 H new ATOM 203 N GLY A 15 19.290 56.247 90.201 1.00 0.00 N ATOM 204 CA GLY A 15 18.498 54.988 90.296 1.00 0.00 C ATOM 205 C GLY A 15 17.011 55.326 90.467 1.00 0.00 C ATOM 206 O GLY A 15 16.153 54.490 90.263 1.00 0.00 O ATOM 0 H GLY A 15 19.189 56.760 89.325 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.644 54.386 89.399 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.845 54.391 91.140 1.00 0.00 H new ATOM 210 N ASN A 16 16.695 56.539 90.852 1.00 0.00 N ATOM 211 CA ASN A 16 15.260 56.907 91.043 1.00 0.00 C ATOM 212 C ASN A 16 14.493 56.852 89.714 1.00 0.00 C ATOM 213 O ASN A 16 13.305 57.069 89.684 1.00 0.00 O ATOM 214 CB ASN A 16 15.170 58.317 91.628 1.00 0.00 C ATOM 215 CG ASN A 16 15.387 58.248 93.140 1.00 0.00 C ATOM 216 OD1 ASN A 16 16.382 58.728 93.646 1.00 0.00 O ATOM 217 ND2 ASN A 16 14.492 57.663 93.889 1.00 0.00 N ATOM 0 H ASN A 16 17.365 57.285 91.041 1.00 0.00 H new ATOM 0 HA ASN A 16 14.809 56.189 91.728 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.920 58.962 91.170 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.196 58.754 91.408 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.628 57.609 94.898 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.657 57.260 93.465 1.00 0.00 H new ATOM 224 N CYS A 17 15.144 56.561 88.620 1.00 0.00 N ATOM 225 CA CYS A 17 14.412 56.493 87.321 1.00 0.00 C ATOM 226 C CYS A 17 14.878 55.254 86.553 1.00 0.00 C ATOM 227 O CYS A 17 16.041 54.900 86.579 1.00 0.00 O ATOM 228 CB CYS A 17 14.704 57.750 86.507 1.00 0.00 C ATOM 229 SG CYS A 17 13.268 58.146 85.477 1.00 0.00 S ATOM 0 H CYS A 17 16.144 56.368 88.568 1.00 0.00 H new ATOM 0 HA CYS A 17 13.339 56.428 87.501 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.929 58.583 87.172 1.00 0.00 H new ATOM 0 HB3 CYS A 17 15.583 57.595 85.881 1.00 0.00 H new ATOM 234 N ASN A 18 13.986 54.585 85.868 1.00 0.00 N ATOM 235 CA ASN A 18 14.406 53.369 85.110 1.00 0.00 C ATOM 236 C ASN A 18 15.110 53.823 83.828 1.00 0.00 C ATOM 237 O ASN A 18 14.573 54.592 83.055 1.00 0.00 O ATOM 238 CB ASN A 18 13.191 52.501 84.740 1.00 0.00 C ATOM 239 CG ASN A 18 11.970 52.874 85.586 1.00 0.00 C ATOM 240 OD1 ASN A 18 11.856 52.484 86.726 1.00 0.00 O ATOM 241 ND2 ASN A 18 11.035 53.612 85.062 1.00 0.00 N ATOM 0 H ASN A 18 12.997 54.824 85.801 1.00 0.00 H new ATOM 0 HA ASN A 18 15.073 52.772 85.732 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.958 52.628 83.683 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.433 51.449 84.889 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.212 53.859 85.612 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.125 53.944 84.102 1.00 0.00 H new ATOM 248 N ARG A 19 16.311 53.370 83.603 1.00 0.00 N ATOM 249 CA ARG A 19 17.053 53.793 82.380 1.00 0.00 C ATOM 250 C ARG A 19 16.359 53.255 81.125 1.00 0.00 C ATOM 251 O ARG A 19 16.565 53.750 80.034 1.00 0.00 O ATOM 252 CB ARG A 19 18.480 53.246 82.443 1.00 0.00 C ATOM 253 CG ARG A 19 18.440 51.716 82.454 1.00 0.00 C ATOM 254 CD ARG A 19 19.069 51.196 83.749 1.00 0.00 C ATOM 255 NE ARG A 19 20.354 50.512 83.435 1.00 0.00 N ATOM 256 CZ ARG A 19 21.477 51.173 83.501 1.00 0.00 C ATOM 257 NH1 ARG A 19 21.710 52.146 82.663 1.00 0.00 N ATOM 258 NH2 ARG A 19 22.368 50.860 84.403 1.00 0.00 N ATOM 0 H ARG A 19 16.813 52.724 84.213 1.00 0.00 H new ATOM 0 HA ARG A 19 17.072 54.882 82.334 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.054 53.599 81.587 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.983 53.614 83.338 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.410 51.368 82.373 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.978 51.322 81.592 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.243 52.022 84.439 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.388 50.504 84.245 1.00 0.00 H new ATOM 0 HE ARG A 19 20.356 49.527 83.169 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.015 52.389 81.957 1.00 0.00 H new ATOM 0 HH12 ARG A 19 22.588 52.663 82.714 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.186 50.098 85.057 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.246 51.377 84.454 1.00 0.00 H new ATOM 272 N LEU A 20 15.555 52.238 81.260 1.00 0.00 N ATOM 273 CA LEU A 20 14.874 51.670 80.055 1.00 0.00 C ATOM 274 C LEU A 20 13.393 52.080 79.999 1.00 0.00 C ATOM 275 O LEU A 20 12.879 52.402 78.946 1.00 0.00 O ATOM 276 CB LEU A 20 14.982 50.140 80.070 1.00 0.00 C ATOM 277 CG LEU A 20 14.468 49.588 81.402 1.00 0.00 C ATOM 278 CD1 LEU A 20 13.157 48.834 81.172 1.00 0.00 C ATOM 279 CD2 LEU A 20 15.510 48.631 81.986 1.00 0.00 C ATOM 0 H LEU A 20 15.339 51.776 82.143 1.00 0.00 H new ATOM 0 HA LEU A 20 15.371 52.069 79.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.405 49.719 79.246 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.019 49.840 79.919 1.00 0.00 H new ATOM 0 HG LEU A 20 14.295 50.411 82.096 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.792 48.441 82.121 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.416 49.513 80.751 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.328 48.009 80.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.149 48.235 82.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.679 47.809 81.291 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.445 49.167 82.149 1.00 0.00 H new ATOM 291 N THR A 21 12.693 52.059 81.102 1.00 0.00 N ATOM 292 CA THR A 21 11.250 52.434 81.066 1.00 0.00 C ATOM 293 C THR A 21 11.092 53.951 81.210 1.00 0.00 C ATOM 294 O THR A 21 10.260 54.558 80.567 1.00 0.00 O ATOM 295 CB THR A 21 10.514 51.731 82.209 1.00 0.00 C ATOM 296 OG1 THR A 21 11.459 51.253 83.156 1.00 0.00 O ATOM 297 CG2 THR A 21 9.709 50.556 81.652 1.00 0.00 C ATOM 0 H THR A 21 13.055 51.800 82.020 1.00 0.00 H new ATOM 0 HA THR A 21 10.826 52.125 80.110 1.00 0.00 H new ATOM 0 HB THR A 21 9.838 52.435 82.694 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.989 50.804 83.889 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.185 50.055 82.466 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.984 50.923 80.926 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.383 49.850 81.167 1.00 0.00 H new ATOM 305 N GLY A 22 11.879 54.572 82.048 1.00 0.00 N ATOM 306 CA GLY A 22 11.758 56.049 82.223 1.00 0.00 C ATOM 307 C GLY A 22 10.658 56.358 83.251 1.00 0.00 C ATOM 308 O GLY A 22 9.599 56.842 82.908 1.00 0.00 O ATOM 0 H GLY A 22 12.597 54.123 82.616 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.709 56.465 82.557 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.521 56.520 81.269 1.00 0.00 H new ATOM 312 N GLU A 23 10.897 56.080 84.510 1.00 0.00 N ATOM 313 CA GLU A 23 9.862 56.357 85.546 1.00 0.00 C ATOM 314 C GLU A 23 10.456 56.058 86.928 1.00 0.00 C ATOM 315 O GLU A 23 11.461 55.387 87.044 1.00 0.00 O ATOM 316 CB GLU A 23 8.637 55.467 85.292 1.00 0.00 C ATOM 317 CG GLU A 23 7.362 56.310 85.377 1.00 0.00 C ATOM 318 CD GLU A 23 7.326 57.303 84.214 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.907 58.368 84.350 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.717 56.982 83.206 1.00 0.00 O ATOM 0 H GLU A 23 11.764 55.674 84.861 1.00 0.00 H new ATOM 0 HA GLU A 23 9.553 57.401 85.502 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.712 55.000 84.310 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.602 54.662 86.026 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.484 55.665 85.345 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.330 56.845 86.326 1.00 0.00 H new ATOM 327 N CYS A 24 9.862 56.562 87.976 1.00 0.00 N ATOM 328 CA CYS A 24 10.418 56.311 89.337 1.00 0.00 C ATOM 329 C CYS A 24 10.706 54.811 89.516 1.00 0.00 C ATOM 330 O CYS A 24 9.844 53.979 89.318 1.00 0.00 O ATOM 331 CB CYS A 24 9.401 56.781 90.380 1.00 0.00 C ATOM 332 SG CYS A 24 9.784 58.483 90.867 1.00 0.00 S ATOM 0 H CYS A 24 9.019 57.135 87.949 1.00 0.00 H new ATOM 0 HA CYS A 24 11.351 56.860 89.463 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.392 56.726 89.971 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.428 56.127 91.251 1.00 0.00 H new ATOM 337 N LEU A 25 11.926 54.457 89.860 1.00 0.00 N ATOM 338 CA LEU A 25 12.270 53.004 90.013 1.00 0.00 C ATOM 339 C LEU A 25 12.834 52.698 91.417 1.00 0.00 C ATOM 340 O LEU A 25 12.715 51.591 91.902 1.00 0.00 O ATOM 341 CB LEU A 25 13.335 52.646 88.956 1.00 0.00 C ATOM 342 CG LEU A 25 13.275 51.185 88.482 1.00 0.00 C ATOM 343 CD1 LEU A 25 14.541 50.453 88.919 1.00 0.00 C ATOM 344 CD2 LEU A 25 12.048 50.448 89.032 1.00 0.00 C ATOM 0 H LEU A 25 12.692 55.106 90.040 1.00 0.00 H new ATOM 0 HA LEU A 25 11.363 52.414 89.879 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.213 53.303 88.095 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.324 52.843 89.370 1.00 0.00 H new ATOM 0 HG LEU A 25 13.197 51.196 87.395 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.497 49.417 88.582 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.412 50.940 88.481 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.619 50.478 90.006 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.049 49.420 88.670 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.081 50.449 90.122 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.141 50.950 88.696 1.00 0.00 H new ATOM 356 N LYS A 26 13.469 53.645 92.066 1.00 0.00 N ATOM 357 CA LYS A 26 14.051 53.358 93.415 1.00 0.00 C ATOM 358 C LYS A 26 13.333 54.176 94.512 1.00 0.00 C ATOM 359 O LYS A 26 13.793 55.232 94.897 1.00 0.00 O ATOM 360 CB LYS A 26 15.535 53.738 93.408 1.00 0.00 C ATOM 361 CG LYS A 26 16.328 52.710 94.199 1.00 0.00 C ATOM 362 CD LYS A 26 17.784 53.166 94.295 1.00 0.00 C ATOM 363 CE LYS A 26 18.174 53.317 95.766 1.00 0.00 C ATOM 364 NZ LYS A 26 17.831 52.067 96.499 1.00 0.00 N ATOM 0 H LYS A 26 13.609 54.596 91.724 1.00 0.00 H new ATOM 0 HA LYS A 26 13.925 52.297 93.629 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.904 53.787 92.383 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.669 54.729 93.842 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.904 52.594 95.196 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.270 51.736 93.713 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.436 52.442 93.807 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.915 54.114 93.774 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.241 53.521 95.852 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.651 54.166 96.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.515 51.917 97.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.874 52.150 96.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.865 51.260 95.844 1.00 0.00 H new ATOM 378 N CYS A 27 12.218 53.704 95.025 1.00 0.00 N ATOM 379 CA CYS A 27 11.500 54.463 96.093 1.00 0.00 C ATOM 380 C CYS A 27 12.448 54.739 97.271 1.00 0.00 C ATOM 381 O CYS A 27 13.400 54.017 97.492 1.00 0.00 O ATOM 382 CB CYS A 27 10.313 53.624 96.565 1.00 0.00 C ATOM 383 SG CYS A 27 9.279 53.227 95.135 1.00 0.00 S ATOM 0 H CYS A 27 11.778 52.827 94.748 1.00 0.00 H new ATOM 0 HA CYS A 27 11.151 55.418 95.701 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.663 52.710 97.044 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.735 54.172 97.309 1.00 0.00 H new ATOM 388 N ILE A 28 12.208 55.790 98.019 1.00 0.00 N ATOM 389 CA ILE A 28 13.118 56.112 99.166 1.00 0.00 C ATOM 390 C ILE A 28 12.476 55.801 100.530 1.00 0.00 C ATOM 391 O ILE A 28 12.948 54.957 101.262 1.00 0.00 O ATOM 392 CB ILE A 28 13.517 57.598 99.136 1.00 0.00 C ATOM 393 CG1 ILE A 28 12.561 58.412 98.265 1.00 0.00 C ATOM 394 CG2 ILE A 28 14.925 57.742 98.566 1.00 0.00 C ATOM 395 CD1 ILE A 28 12.638 59.885 98.667 1.00 0.00 C ATOM 0 H ILE A 28 11.428 56.434 97.887 1.00 0.00 H new ATOM 0 HA ILE A 28 13.999 55.480 99.049 1.00 0.00 H new ATOM 0 HB ILE A 28 13.475 57.973 100.159 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.822 58.297 97.213 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.542 58.044 98.383 1.00 0.00 H new ATOM 0 HG21 ILE A 28 15.204 58.796 98.546 1.00 0.00 H new ATOM 0 HG22 ILE A 28 15.629 57.192 99.191 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.950 57.341 97.553 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.957 60.468 98.047 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.356 59.991 99.714 1.00 0.00 H new ATOM 0 HD13 ILE A 28 13.656 60.248 98.527 1.00 0.00 H new ATOM 407 N TYR A 29 11.452 56.521 100.891 1.00 0.00 N ATOM 408 CA TYR A 29 10.800 56.339 102.232 1.00 0.00 C ATOM 409 C TYR A 29 10.059 54.997 102.360 1.00 0.00 C ATOM 410 O TYR A 29 8.847 54.953 102.343 1.00 0.00 O ATOM 411 CB TYR A 29 9.797 57.476 102.458 1.00 0.00 C ATOM 412 CG TYR A 29 10.482 58.820 102.320 1.00 0.00 C ATOM 413 CD1 TYR A 29 11.874 58.896 102.179 1.00 0.00 C ATOM 414 CD2 TYR A 29 9.718 59.995 102.328 1.00 0.00 C ATOM 415 CE1 TYR A 29 12.500 60.140 102.048 1.00 0.00 C ATOM 416 CE2 TYR A 29 10.344 61.240 102.196 1.00 0.00 C ATOM 417 CZ TYR A 29 11.735 61.313 102.056 1.00 0.00 C ATOM 418 OH TYR A 29 12.354 62.540 101.926 1.00 0.00 O ATOM 0 H TYR A 29 11.027 57.242 100.308 1.00 0.00 H new ATOM 0 HA TYR A 29 11.593 56.350 102.980 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.983 57.400 101.737 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.354 57.387 103.450 1.00 0.00 H new ATOM 0 HD1 TYR A 29 12.465 57.992 102.171 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.645 59.940 102.436 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.573 60.196 101.941 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.754 62.144 102.202 1.00 0.00 H new ATOM 0 HH TYR A 29 11.680 63.251 101.950 1.00 0.00 H new ATOM 428 N ASN A 30 10.785 53.923 102.539 1.00 0.00 N ATOM 429 CA ASN A 30 10.162 52.571 102.724 1.00 0.00 C ATOM 430 C ASN A 30 8.823 52.475 101.996 1.00 0.00 C ATOM 431 O ASN A 30 7.817 52.093 102.565 1.00 0.00 O ATOM 432 CB ASN A 30 9.937 52.319 104.216 1.00 0.00 C ATOM 433 CG ASN A 30 11.242 51.845 104.857 1.00 0.00 C ATOM 434 OD1 ASN A 30 12.312 52.270 104.469 1.00 0.00 O ATOM 435 ND2 ASN A 30 11.200 50.977 105.831 1.00 0.00 N ATOM 0 H ASN A 30 11.805 53.924 102.566 1.00 0.00 H new ATOM 0 HA ASN A 30 10.837 51.824 102.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.592 53.232 104.702 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.158 51.569 104.355 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.065 50.656 106.266 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.302 50.620 106.157 1.00 0.00 H new ATOM 442 N THR A 31 8.804 52.803 100.744 1.00 0.00 N ATOM 443 CA THR A 31 7.527 52.723 99.983 1.00 0.00 C ATOM 444 C THR A 31 7.712 51.763 98.810 1.00 0.00 C ATOM 445 O THR A 31 8.804 51.580 98.310 1.00 0.00 O ATOM 446 CB THR A 31 7.156 54.112 99.461 1.00 0.00 C ATOM 447 OG1 THR A 31 8.212 54.609 98.652 1.00 0.00 O ATOM 448 CG2 THR A 31 6.928 55.061 100.639 1.00 0.00 C ATOM 0 H THR A 31 9.612 53.123 100.210 1.00 0.00 H new ATOM 0 HA THR A 31 6.729 52.362 100.631 1.00 0.00 H new ATOM 0 HB THR A 31 6.243 54.044 98.870 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.844 55.109 99.210 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.664 56.050 100.264 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.118 54.681 101.261 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.840 55.130 101.233 1.00 0.00 H new ATOM 456 N ALA A 32 6.656 51.130 98.381 1.00 0.00 N ATOM 457 CA ALA A 32 6.780 50.163 97.254 1.00 0.00 C ATOM 458 C ALA A 32 5.903 50.605 96.085 1.00 0.00 C ATOM 459 O ALA A 32 5.615 51.773 95.916 1.00 0.00 O ATOM 460 CB ALA A 32 6.336 48.775 97.723 1.00 0.00 C ATOM 0 H ALA A 32 5.715 51.239 98.760 1.00 0.00 H new ATOM 0 HA ALA A 32 7.820 50.128 96.928 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.426 48.067 96.900 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.967 48.451 98.551 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.298 48.817 98.053 1.00 0.00 H new ATOM 466 N GLY A 33 5.483 49.676 95.273 1.00 0.00 N ATOM 467 CA GLY A 33 4.632 50.033 94.106 1.00 0.00 C ATOM 468 C GLY A 33 5.522 50.530 92.971 1.00 0.00 C ATOM 469 O GLY A 33 6.565 51.110 93.194 1.00 0.00 O ATOM 0 H GLY A 33 5.693 48.682 95.368 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.057 49.166 93.781 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.914 50.804 94.386 1.00 0.00 H new ATOM 473 N PHE A 34 5.124 50.298 91.757 1.00 0.00 N ATOM 474 CA PHE A 34 5.953 50.750 90.603 1.00 0.00 C ATOM 475 C PHE A 34 6.146 52.275 90.651 1.00 0.00 C ATOM 476 O PHE A 34 7.091 52.798 90.096 1.00 0.00 O ATOM 477 CB PHE A 34 5.249 50.363 89.294 1.00 0.00 C ATOM 478 CG PHE A 34 6.154 50.644 88.114 1.00 0.00 C ATOM 479 CD1 PHE A 34 7.526 50.381 88.200 1.00 0.00 C ATOM 480 CD2 PHE A 34 5.617 51.167 86.927 1.00 0.00 C ATOM 481 CE1 PHE A 34 8.361 50.638 87.108 1.00 0.00 C ATOM 482 CE2 PHE A 34 6.454 51.424 85.835 1.00 0.00 C ATOM 483 CZ PHE A 34 7.825 51.159 85.925 1.00 0.00 C ATOM 0 H PHE A 34 4.261 49.815 91.509 1.00 0.00 H new ATOM 0 HA PHE A 34 6.930 50.270 90.655 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.982 49.306 89.314 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.320 50.924 89.192 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.941 49.978 89.112 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.559 51.371 86.856 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.419 50.434 87.178 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.041 51.827 84.922 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.470 51.357 85.081 1.00 0.00 H new ATOM 493 N TYR A 35 5.260 53.003 91.294 1.00 0.00 N ATOM 494 CA TYR A 35 5.418 54.484 91.345 1.00 0.00 C ATOM 495 C TYR A 35 5.677 54.940 92.784 1.00 0.00 C ATOM 496 O TYR A 35 5.471 56.087 93.126 1.00 0.00 O ATOM 497 CB TYR A 35 4.139 55.143 90.827 1.00 0.00 C ATOM 498 CG TYR A 35 4.100 55.048 89.321 1.00 0.00 C ATOM 499 CD1 TYR A 35 4.823 55.962 88.544 1.00 0.00 C ATOM 500 CD2 TYR A 35 3.342 54.048 88.701 1.00 0.00 C ATOM 501 CE1 TYR A 35 4.787 55.875 87.147 1.00 0.00 C ATOM 502 CE2 TYR A 35 3.305 53.963 87.304 1.00 0.00 C ATOM 503 CZ TYR A 35 4.028 54.876 86.528 1.00 0.00 C ATOM 504 OH TYR A 35 3.990 54.792 85.151 1.00 0.00 O ATOM 0 H TYR A 35 4.443 52.634 91.780 1.00 0.00 H new ATOM 0 HA TYR A 35 6.265 54.775 90.724 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.265 54.653 91.256 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.103 56.187 91.137 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.408 56.734 89.022 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.786 53.342 89.300 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.345 56.579 86.547 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.718 53.193 86.825 1.00 0.00 H new ATOM 0 HH TYR A 35 3.418 54.042 84.885 1.00 0.00 H new ATOM 514 N CYS A 36 6.130 54.056 93.630 1.00 0.00 N ATOM 515 CA CYS A 36 6.403 54.447 95.042 1.00 0.00 C ATOM 516 C CYS A 36 5.106 54.898 95.710 1.00 0.00 C ATOM 517 O CYS A 36 5.108 55.717 96.608 1.00 0.00 O ATOM 518 CB CYS A 36 7.419 55.590 95.065 1.00 0.00 C ATOM 519 SG CYS A 36 8.945 55.025 94.279 1.00 0.00 S ATOM 0 H CYS A 36 6.323 53.080 93.405 1.00 0.00 H new ATOM 0 HA CYS A 36 6.807 53.592 95.584 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.022 56.459 94.539 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.615 55.901 96.091 1.00 0.00 H new ATOM 524 N ASP A 37 3.998 54.364 95.282 1.00 0.00 N ATOM 525 CA ASP A 37 2.700 54.755 95.895 1.00 0.00 C ATOM 526 C ASP A 37 2.238 53.648 96.841 1.00 0.00 C ATOM 527 O ASP A 37 1.065 53.511 97.126 1.00 0.00 O ATOM 528 CB ASP A 37 1.655 54.958 94.794 1.00 0.00 C ATOM 529 CG ASP A 37 1.690 56.412 94.319 1.00 0.00 C ATOM 530 OD1 ASP A 37 2.585 57.129 94.734 1.00 0.00 O ATOM 531 OD2 ASP A 37 0.821 56.783 93.548 1.00 0.00 O ATOM 0 H ASP A 37 3.935 53.673 94.534 1.00 0.00 H new ATOM 0 HA ASP A 37 2.822 55.684 96.451 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.856 54.287 93.959 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.662 54.711 95.170 1.00 0.00 H new ATOM 536 N ARG A 38 3.153 52.855 97.336 1.00 0.00 N ATOM 537 CA ARG A 38 2.765 51.768 98.260 1.00 0.00 C ATOM 538 C ARG A 38 3.655 51.820 99.498 1.00 0.00 C ATOM 539 O ARG A 38 4.488 52.691 99.651 1.00 0.00 O ATOM 540 CB ARG A 38 2.942 50.416 97.567 1.00 0.00 C ATOM 541 CG ARG A 38 1.679 49.577 97.764 1.00 0.00 C ATOM 542 CD ARG A 38 1.518 48.612 96.589 1.00 0.00 C ATOM 543 NE ARG A 38 0.118 48.673 96.086 1.00 0.00 N ATOM 544 CZ ARG A 38 -0.868 48.299 96.856 1.00 0.00 C ATOM 545 NH1 ARG A 38 -0.803 47.161 97.490 1.00 0.00 N ATOM 546 NH2 ARG A 38 -1.917 49.063 96.991 1.00 0.00 N ATOM 0 H ARG A 38 4.151 52.920 97.135 1.00 0.00 H new ATOM 0 HA ARG A 38 1.721 51.892 98.549 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.133 50.562 96.504 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.806 49.894 97.978 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.742 49.021 98.699 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.806 50.226 97.837 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.214 48.873 95.792 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.759 47.596 96.903 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.071 49.007 95.141 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.017 46.564 97.384 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.573 46.868 98.092 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.967 49.953 96.495 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.687 48.770 97.593 1.00 0.00 H new ATOM 560 N CYS A 39 3.480 50.886 100.374 1.00 0.00 N ATOM 561 CA CYS A 39 4.296 50.843 101.619 1.00 0.00 C ATOM 562 C CYS A 39 5.036 49.499 101.670 1.00 0.00 C ATOM 563 O CYS A 39 4.486 48.478 101.307 1.00 0.00 O ATOM 564 CB CYS A 39 3.335 50.987 102.814 1.00 0.00 C ATOM 565 SG CYS A 39 3.290 52.715 103.357 1.00 0.00 S ATOM 0 H CYS A 39 2.796 50.134 100.285 1.00 0.00 H new ATOM 0 HA CYS A 39 5.032 51.647 101.648 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.335 50.659 102.530 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.660 50.347 103.634 1.00 0.00 H new ATOM 570 N LYS A 40 6.281 49.472 102.091 1.00 0.00 N ATOM 571 CA LYS A 40 7.007 48.167 102.115 1.00 0.00 C ATOM 572 C LYS A 40 6.204 47.151 102.933 1.00 0.00 C ATOM 573 O LYS A 40 5.613 47.472 103.945 1.00 0.00 O ATOM 574 CB LYS A 40 8.383 48.356 102.764 1.00 0.00 C ATOM 575 CG LYS A 40 8.967 46.990 103.139 1.00 0.00 C ATOM 576 CD LYS A 40 10.455 47.135 103.464 1.00 0.00 C ATOM 577 CE LYS A 40 11.269 46.205 102.562 1.00 0.00 C ATOM 578 NZ LYS A 40 11.547 46.887 101.267 1.00 0.00 N ATOM 0 H LYS A 40 6.813 50.281 102.412 1.00 0.00 H new ATOM 0 HA LYS A 40 7.129 47.805 101.094 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.053 48.873 102.076 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.294 48.981 103.653 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.436 46.580 103.998 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.832 46.288 102.316 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.771 48.168 103.318 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.635 46.892 104.511 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.205 45.934 103.051 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.721 45.279 102.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.100 46.255 100.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.649 47.124 100.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.086 47.759 101.442 1.00 0.00 H new ATOM 592 N GLU A 41 6.184 45.923 102.488 1.00 0.00 N ATOM 593 CA GLU A 41 5.425 44.865 103.215 1.00 0.00 C ATOM 594 C GLU A 41 5.984 44.716 104.629 1.00 0.00 C ATOM 595 O GLU A 41 7.175 44.579 104.825 1.00 0.00 O ATOM 596 CB GLU A 41 5.569 43.536 102.470 1.00 0.00 C ATOM 597 CG GLU A 41 4.235 42.789 102.494 1.00 0.00 C ATOM 598 CD GLU A 41 4.473 41.307 102.198 1.00 0.00 C ATOM 599 OE1 GLU A 41 5.186 41.019 101.251 1.00 0.00 O ATOM 600 OE2 GLU A 41 3.936 40.485 102.922 1.00 0.00 O ATOM 0 H GLU A 41 6.664 45.606 101.646 1.00 0.00 H new ATOM 0 HA GLU A 41 4.373 45.144 103.268 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.878 43.716 101.440 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.346 42.929 102.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.759 42.904 103.468 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.555 43.214 101.755 1.00 0.00 H new ATOM 607 N GLY A 42 5.139 44.762 105.620 1.00 0.00 N ATOM 608 CA GLY A 42 5.623 44.648 107.019 1.00 0.00 C ATOM 609 C GLY A 42 5.170 45.901 107.734 1.00 0.00 C ATOM 610 O GLY A 42 4.758 45.875 108.878 1.00 0.00 O ATOM 0 H GLY A 42 4.130 44.874 105.519 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.215 43.759 107.499 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.709 44.556 107.048 1.00 0.00 H new ATOM 614 N PHE A 43 5.203 46.997 107.038 1.00 0.00 N ATOM 615 CA PHE A 43 4.730 48.259 107.632 1.00 0.00 C ATOM 616 C PHE A 43 3.729 48.899 106.686 1.00 0.00 C ATOM 617 O PHE A 43 3.972 49.073 105.508 1.00 0.00 O ATOM 618 CB PHE A 43 5.873 49.230 107.855 1.00 0.00 C ATOM 619 CG PHE A 43 7.045 48.517 108.486 1.00 0.00 C ATOM 620 CD1 PHE A 43 7.709 47.503 107.784 1.00 0.00 C ATOM 621 CD2 PHE A 43 7.470 48.873 109.770 1.00 0.00 C ATOM 622 CE1 PHE A 43 8.798 46.846 108.369 1.00 0.00 C ATOM 623 CE2 PHE A 43 8.560 48.217 110.354 1.00 0.00 C ATOM 624 CZ PHE A 43 9.224 47.203 109.655 1.00 0.00 C ATOM 0 H PHE A 43 5.540 47.068 106.078 1.00 0.00 H new ATOM 0 HA PHE A 43 4.274 48.034 108.596 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.175 49.672 106.906 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.546 50.047 108.498 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.381 47.228 106.792 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.957 49.654 110.311 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.310 46.064 107.829 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.889 48.494 111.345 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.064 46.696 110.106 1.00 0.00 H new ATOM 634 N PHE A 44 2.615 49.256 107.213 1.00 0.00 N ATOM 635 CA PHE A 44 1.558 49.907 106.389 1.00 0.00 C ATOM 636 C PHE A 44 1.427 51.365 106.822 1.00 0.00 C ATOM 637 O PHE A 44 2.126 51.820 107.701 1.00 0.00 O ATOM 638 CB PHE A 44 0.220 49.195 106.595 1.00 0.00 C ATOM 639 CG PHE A 44 0.456 47.714 106.764 1.00 0.00 C ATOM 640 CD1 PHE A 44 1.286 47.029 105.870 1.00 0.00 C ATOM 641 CD2 PHE A 44 -0.160 47.025 107.816 1.00 0.00 C ATOM 642 CE1 PHE A 44 1.501 45.655 106.027 1.00 0.00 C ATOM 643 CE2 PHE A 44 0.054 45.651 107.974 1.00 0.00 C ATOM 644 CZ PHE A 44 0.885 44.965 107.080 1.00 0.00 C ATOM 0 H PHE A 44 2.375 49.128 108.196 1.00 0.00 H new ATOM 0 HA PHE A 44 1.830 49.850 105.335 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.285 49.596 107.474 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.434 49.374 105.742 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.761 47.561 105.059 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.801 47.554 108.506 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.142 45.126 105.337 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.422 45.120 108.785 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.051 43.905 107.202 1.00 0.00 H new ATOM 654 N GLY A 45 0.542 52.104 106.219 1.00 0.00 N ATOM 655 CA GLY A 45 0.390 53.530 106.612 1.00 0.00 C ATOM 656 C GLY A 45 0.168 54.385 105.373 1.00 0.00 C ATOM 657 O GLY A 45 -0.551 54.016 104.466 1.00 0.00 O ATOM 0 H GLY A 45 -0.079 51.785 105.476 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.451 53.640 107.297 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.280 53.867 107.143 1.00 0.00 H new ATOM 661 N ASN A 46 0.779 55.528 105.337 1.00 0.00 N ATOM 662 CA ASN A 46 0.614 56.430 104.162 1.00 0.00 C ATOM 663 C ASN A 46 1.991 56.775 103.581 1.00 0.00 C ATOM 664 O ASN A 46 2.685 57.623 104.106 1.00 0.00 O ATOM 665 CB ASN A 46 -0.090 57.715 104.606 1.00 0.00 C ATOM 666 CG ASN A 46 -1.605 57.503 104.573 1.00 0.00 C ATOM 667 OD1 ASN A 46 -2.089 56.608 103.909 1.00 0.00 O ATOM 668 ND2 ASN A 46 -2.378 58.292 105.266 1.00 0.00 N ATOM 0 H ASN A 46 1.390 55.883 106.072 1.00 0.00 H new ATOM 0 HA ASN A 46 0.016 55.930 103.400 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.228 57.988 105.612 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.187 58.540 103.950 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.389 58.158 105.251 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.972 59.043 105.823 1.00 0.00 H new ATOM 675 N PRO A 47 2.349 56.102 102.515 1.00 0.00 N ATOM 676 CA PRO A 47 3.642 56.312 101.840 1.00 0.00 C ATOM 677 C PRO A 47 3.589 57.554 100.946 1.00 0.00 C ATOM 678 O PRO A 47 4.591 57.987 100.413 1.00 0.00 O ATOM 679 CB PRO A 47 3.815 55.046 100.997 1.00 0.00 C ATOM 680 CG PRO A 47 2.397 54.464 100.786 1.00 0.00 C ATOM 681 CD PRO A 47 1.502 55.068 101.883 1.00 0.00 C ATOM 0 HA PRO A 47 4.465 56.475 102.536 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.286 55.277 100.042 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.458 54.327 101.504 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.019 54.717 99.795 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.411 53.376 100.854 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.594 55.500 101.463 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.191 54.312 102.604 1.00 0.00 H new ATOM 689 N LEU A 48 2.429 58.128 100.769 1.00 0.00 N ATOM 690 CA LEU A 48 2.326 59.334 99.900 1.00 0.00 C ATOM 691 C LEU A 48 2.040 60.571 100.755 1.00 0.00 C ATOM 692 O LEU A 48 1.297 61.448 100.363 1.00 0.00 O ATOM 693 CB LEU A 48 1.191 59.142 98.895 1.00 0.00 C ATOM 694 CG LEU A 48 1.484 59.959 97.636 1.00 0.00 C ATOM 695 CD1 LEU A 48 1.535 59.028 96.424 1.00 0.00 C ATOM 696 CD2 LEU A 48 0.379 60.998 97.436 1.00 0.00 C ATOM 0 H LEU A 48 1.553 57.815 101.187 1.00 0.00 H new ATOM 0 HA LEU A 48 3.268 59.473 99.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.089 58.087 98.642 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.244 59.457 99.334 1.00 0.00 H new ATOM 0 HG LEU A 48 2.443 60.465 97.745 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.744 59.610 95.526 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.322 58.287 96.567 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.576 58.522 96.313 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.586 61.581 96.539 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.580 60.492 97.326 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.343 61.662 98.300 1.00 0.00 H new ATOM 708 N ALA A 49 2.628 60.655 101.915 1.00 0.00 N ATOM 709 CA ALA A 49 2.394 61.841 102.783 1.00 0.00 C ATOM 710 C ALA A 49 3.658 62.702 102.807 1.00 0.00 C ATOM 711 O ALA A 49 4.751 62.195 102.641 1.00 0.00 O ATOM 712 CB ALA A 49 2.071 61.377 104.205 1.00 0.00 C ATOM 0 H ALA A 49 3.261 59.953 102.299 1.00 0.00 H new ATOM 0 HA ALA A 49 1.559 62.422 102.392 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.900 62.245 104.841 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.176 60.756 104.190 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.907 60.799 104.598 1.00 0.00 H new ATOM 718 N PRO A 50 3.478 63.978 103.028 1.00 0.00 N ATOM 719 CA PRO A 50 4.598 64.929 103.097 1.00 0.00 C ATOM 720 C PRO A 50 5.325 64.744 104.428 1.00 0.00 C ATOM 721 O PRO A 50 6.508 64.993 104.548 1.00 0.00 O ATOM 722 CB PRO A 50 3.920 66.299 103.015 1.00 0.00 C ATOM 723 CG PRO A 50 2.456 66.084 103.462 1.00 0.00 C ATOM 724 CD PRO A 50 2.149 64.590 103.239 1.00 0.00 C ATOM 0 HA PRO A 50 5.341 64.799 102.311 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.422 67.021 103.660 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.963 66.694 102.000 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.326 66.355 104.510 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.777 66.711 102.884 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.641 64.154 104.100 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.500 64.441 102.376 1.00 0.00 H new ATOM 732 N ASN A 51 4.615 64.287 105.422 1.00 0.00 N ATOM 733 CA ASN A 51 5.246 64.057 106.750 1.00 0.00 C ATOM 734 C ASN A 51 5.530 62.558 106.906 1.00 0.00 C ATOM 735 O ASN A 51 4.677 61.742 106.615 1.00 0.00 O ATOM 736 CB ASN A 51 4.290 64.512 107.854 1.00 0.00 C ATOM 737 CG ASN A 51 3.975 66.000 107.676 1.00 0.00 C ATOM 738 OD1 ASN A 51 4.869 66.824 107.667 1.00 0.00 O ATOM 739 ND2 ASN A 51 2.734 66.386 107.532 1.00 0.00 N ATOM 0 H ASN A 51 3.621 64.062 105.371 1.00 0.00 H new ATOM 0 HA ASN A 51 6.175 64.622 106.824 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.371 63.928 107.817 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.739 64.339 108.832 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.518 67.376 107.413 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.982 65.697 107.539 1.00 0.00 H new ATOM 746 N PRO A 52 6.713 62.230 107.364 1.00 0.00 N ATOM 747 CA PRO A 52 7.112 60.827 107.568 1.00 0.00 C ATOM 748 C PRO A 52 6.440 60.255 108.827 1.00 0.00 C ATOM 749 O PRO A 52 6.618 59.100 109.158 1.00 0.00 O ATOM 750 CB PRO A 52 8.632 60.903 107.735 1.00 0.00 C ATOM 751 CG PRO A 52 8.950 62.350 108.169 1.00 0.00 C ATOM 752 CD PRO A 52 7.755 63.215 107.727 1.00 0.00 C ATOM 0 HA PRO A 52 6.816 60.172 106.748 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.977 60.189 108.482 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.138 60.657 106.802 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.092 62.408 109.248 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.873 62.699 107.706 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.420 63.872 108.529 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.014 63.851 106.881 1.00 0.00 H new ATOM 760 N ALA A 53 5.659 61.045 109.534 1.00 0.00 N ATOM 761 CA ALA A 53 4.988 60.513 110.755 1.00 0.00 C ATOM 762 C ALA A 53 3.854 59.583 110.324 1.00 0.00 C ATOM 763 O ALA A 53 3.500 58.651 111.017 1.00 0.00 O ATOM 764 CB ALA A 53 4.418 61.672 111.576 1.00 0.00 C ATOM 0 H ALA A 53 5.463 62.022 109.317 1.00 0.00 H new ATOM 0 HA ALA A 53 5.707 59.966 111.365 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.928 61.280 112.467 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.226 62.341 111.871 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.693 62.221 110.975 1.00 0.00 H new ATOM 770 N ASP A 54 3.298 59.820 109.166 1.00 0.00 N ATOM 771 CA ASP A 54 2.205 58.943 108.665 1.00 0.00 C ATOM 772 C ASP A 54 2.784 58.040 107.576 1.00 0.00 C ATOM 773 O ASP A 54 2.117 57.667 106.632 1.00 0.00 O ATOM 774 CB ASP A 54 1.082 59.802 108.077 1.00 0.00 C ATOM 775 CG ASP A 54 0.078 60.156 109.176 1.00 0.00 C ATOM 776 OD1 ASP A 54 0.494 60.729 110.170 1.00 0.00 O ATOM 777 OD2 ASP A 54 -1.090 59.849 109.006 1.00 0.00 O ATOM 0 H ASP A 54 3.556 60.587 108.545 1.00 0.00 H new ATOM 0 HA ASP A 54 1.798 58.343 109.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.496 60.712 107.642 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.581 59.263 107.273 1.00 0.00 H new ATOM 782 N LYS A 55 4.037 57.700 107.707 1.00 0.00 N ATOM 783 CA LYS A 55 4.704 56.834 106.695 1.00 0.00 C ATOM 784 C LYS A 55 4.201 55.391 106.829 1.00 0.00 C ATOM 785 O LYS A 55 3.049 55.154 107.142 1.00 0.00 O ATOM 786 CB LYS A 55 6.215 56.886 106.939 1.00 0.00 C ATOM 787 CG LYS A 55 6.959 56.679 105.620 1.00 0.00 C ATOM 788 CD LYS A 55 8.421 56.330 105.911 1.00 0.00 C ATOM 789 CE LYS A 55 9.082 57.481 106.676 1.00 0.00 C ATOM 790 NZ LYS A 55 10.057 56.929 107.659 1.00 0.00 N ATOM 0 H LYS A 55 4.634 57.989 108.482 1.00 0.00 H new ATOM 0 HA LYS A 55 4.475 57.187 105.690 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.489 57.846 107.375 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.504 56.116 107.655 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.490 55.880 105.047 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.903 57.582 105.012 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.477 55.412 106.496 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.954 56.146 104.978 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.589 58.150 105.981 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.325 58.072 107.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.506 57.710 108.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.560 56.308 108.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.786 56.384 107.156 1.00 0.00 H new ATOM 804 N CYS A 56 5.056 54.424 106.593 1.00 0.00 N ATOM 805 CA CYS A 56 4.633 52.999 106.709 1.00 0.00 C ATOM 806 C CYS A 56 5.104 52.445 108.057 1.00 0.00 C ATOM 807 O CYS A 56 6.220 51.984 108.191 1.00 0.00 O ATOM 808 CB CYS A 56 5.269 52.180 105.581 1.00 0.00 C ATOM 809 SG CYS A 56 5.159 53.092 104.022 1.00 0.00 S ATOM 0 H CYS A 56 6.030 54.564 106.325 1.00 0.00 H new ATOM 0 HA CYS A 56 3.547 52.935 106.638 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.312 51.969 105.816 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.763 51.219 105.487 1.00 0.00 H new ATOM 814 N LYS A 57 4.267 52.486 109.057 1.00 0.00 N ATOM 815 CA LYS A 57 4.676 51.963 110.390 1.00 0.00 C ATOM 816 C LYS A 57 4.076 50.570 110.598 1.00 0.00 C ATOM 817 O LYS A 57 3.587 49.952 109.674 1.00 0.00 O ATOM 818 CB LYS A 57 4.171 52.909 111.483 1.00 0.00 C ATOM 819 CG LYS A 57 4.234 54.353 110.975 1.00 0.00 C ATOM 820 CD LYS A 57 3.918 55.316 112.121 1.00 0.00 C ATOM 821 CE LYS A 57 2.451 55.161 112.530 1.00 0.00 C ATOM 822 NZ LYS A 57 1.917 56.478 112.976 1.00 0.00 N ATOM 0 H LYS A 57 3.319 52.859 109.008 1.00 0.00 H new ATOM 0 HA LYS A 57 5.763 51.899 110.440 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.148 52.653 111.757 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.778 52.801 112.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.225 54.564 110.572 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.522 54.494 110.162 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.567 55.110 112.972 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.114 56.343 111.812 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.866 54.785 111.690 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.362 54.430 113.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.878 56.443 112.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.273 56.692 113.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.227 57.220 112.316 1.00 0.00 H new ATOM 836 N ALA A 58 4.112 50.069 111.802 1.00 0.00 N ATOM 837 CA ALA A 58 3.545 48.715 112.064 1.00 0.00 C ATOM 838 C ALA A 58 2.018 48.781 112.004 1.00 0.00 C ATOM 839 O ALA A 58 1.486 49.868 112.153 1.00 0.00 O ATOM 840 CB ALA A 58 3.979 48.239 113.452 1.00 0.00 C ATOM 841 OXT ALA A 58 1.407 47.742 111.809 1.00 0.00 O ATOM 0 H ALA A 58 4.509 50.538 112.616 1.00 0.00 H new ATOM 0 HA ALA A 58 3.909 48.018 111.310 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.564 47.249 113.643 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.067 48.191 113.497 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.615 48.937 114.206 1.00 0.00 H new TER 847 ALA A 58