USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 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 Single : A 1 GLY N :NH3+ 147:sc= 0.958 (180deg=-0.245) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.856 (180deg=-0.00468) USER MOD Single : A 18 ASN : amide:sc= -0.237 K(o=-0.24,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00572) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 14:sc= 0.228 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00466 (180deg=-0.133) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 15:sc= 0.0567 USER MOD Single : A 35 THR OG1 : rot -34:sc= 0.0635 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.027) USER MOD Single : A 48 CYS SG : rot 180:sc=-0.00195 USER MOD Single : A 56 ASN : amide:sc= -0.0025 X(o=-0.0025,f=0.12) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 60 MET CE :methyl -163:sc= -0.0876 (180deg=-0.492) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.06) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0101) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.184 3.574 2.902 1.00 0.00 N ATOM 2 CA GLY A 1 2.725 3.101 1.583 1.00 0.00 C ATOM 3 C GLY A 1 3.616 1.991 1.055 1.00 0.00 C ATOM 4 O GLY A 1 3.838 1.003 1.764 1.00 0.00 O ATOM 0 H1 GLY A 1 2.985 4.591 2.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.684 3.054 3.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.207 3.412 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.699 2.741 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.719 3.932 0.878 1.00 0.00 H new ATOM 10 N ALA A 2 4.154 2.180 -0.165 1.00 0.00 N ATOM 11 CA ALA A 2 5.065 1.217 -0.830 1.00 0.00 C ATOM 12 C ALA A 2 5.794 1.901 -2.001 1.00 0.00 C ATOM 13 O ALA A 2 5.596 3.101 -2.233 1.00 0.00 O ATOM 14 CB ALA A 2 4.279 -0.023 -1.313 1.00 0.00 C ATOM 0 H ALA A 2 3.969 3.012 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 2 5.812 0.882 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.962 -0.720 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.809 -0.511 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.511 0.286 -2.022 1.00 0.00 H new ATOM 20 N SER A 3 6.637 1.119 -2.717 1.00 0.00 N ATOM 21 CA SER A 3 7.328 1.540 -3.956 1.00 0.00 C ATOM 22 C SER A 3 8.240 2.771 -3.735 1.00 0.00 C ATOM 23 O SER A 3 7.842 3.924 -3.972 1.00 0.00 O ATOM 24 CB SER A 3 6.306 1.769 -5.100 1.00 0.00 C ATOM 25 OG SER A 3 5.510 0.606 -5.315 1.00 0.00 O ATOM 0 H SER A 3 6.859 0.162 -2.444 1.00 0.00 H new ATOM 0 HA SER A 3 7.990 0.728 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.663 2.614 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.834 2.027 -6.018 1.00 0.00 H new ATOM 0 HG SER A 3 4.872 0.775 -6.040 1.00 0.00 H new ATOM 31 N GLY A 4 9.455 2.498 -3.227 1.00 0.00 N ATOM 32 CA GLY A 4 10.457 3.529 -2.958 1.00 0.00 C ATOM 33 C GLY A 4 11.317 3.192 -1.742 1.00 0.00 C ATOM 34 O GLY A 4 11.154 2.123 -1.137 1.00 0.00 O ATOM 0 H GLY A 4 9.764 1.554 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.097 3.648 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.958 4.485 -2.795 1.00 0.00 H new ATOM 38 N ASP A 5 12.232 4.115 -1.385 1.00 0.00 N ATOM 39 CA ASP A 5 13.081 3.997 -0.171 1.00 0.00 C ATOM 40 C ASP A 5 12.211 4.097 1.098 1.00 0.00 C ATOM 41 O ASP A 5 12.530 3.529 2.150 1.00 0.00 O ATOM 42 CB ASP A 5 14.150 5.120 -0.149 1.00 0.00 C ATOM 43 CG ASP A 5 15.085 5.085 -1.367 1.00 0.00 C ATOM 44 OD1 ASP A 5 14.718 5.643 -2.432 1.00 0.00 O ATOM 45 OD2 ASP A 5 16.183 4.486 -1.282 1.00 0.00 O ATOM 0 H ASP A 5 12.407 4.963 -1.925 1.00 0.00 H new ATOM 0 HA ASP A 5 13.579 3.028 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.651 6.088 -0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.744 5.030 0.760 1.00 0.00 H new ATOM 50 N LEU A 6 11.095 4.818 0.946 1.00 0.00 N ATOM 51 CA LEU A 6 10.133 5.092 1.999 1.00 0.00 C ATOM 52 C LEU A 6 8.995 4.088 1.859 1.00 0.00 C ATOM 53 O LEU A 6 8.026 4.318 1.117 1.00 0.00 O ATOM 54 CB LEU A 6 9.625 6.554 1.883 1.00 0.00 C ATOM 55 CG LEU A 6 10.741 7.638 1.862 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.152 9.044 1.590 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.581 7.587 3.167 1.00 0.00 C ATOM 0 H LEU A 6 10.835 5.237 0.053 1.00 0.00 H new ATOM 0 HA LEU A 6 10.588 4.988 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.033 6.646 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.957 6.758 2.720 1.00 0.00 H new ATOM 0 HG LEU A 6 11.419 7.421 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.956 9.780 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.647 9.046 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.437 9.297 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.356 8.353 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.932 7.766 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.046 6.606 3.263 1.00 0.00 H new ATOM 69 N TYR A 7 9.209 2.916 2.463 1.00 0.00 N ATOM 70 CA TYR A 7 8.163 1.902 2.648 1.00 0.00 C ATOM 71 C TYR A 7 6.946 2.535 3.356 1.00 0.00 C ATOM 72 O TYR A 7 5.985 2.940 2.696 1.00 0.00 O ATOM 73 CB TYR A 7 8.726 0.684 3.442 1.00 0.00 C ATOM 74 CG TYR A 7 9.566 -0.283 2.597 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.951 -1.225 1.768 1.00 0.00 C ATOM 76 CD2 TYR A 7 10.961 -0.257 2.621 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.692 -2.107 1.010 1.00 0.00 C ATOM 78 CE2 TYR A 7 11.705 -1.138 1.858 1.00 0.00 C ATOM 79 CZ TYR A 7 11.065 -2.059 1.054 1.00 0.00 C ATOM 80 OH TYR A 7 11.800 -2.952 0.303 1.00 0.00 O ATOM 0 H TYR A 7 10.116 2.641 2.840 1.00 0.00 H new ATOM 0 HA TYR A 7 7.834 1.533 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.336 1.053 4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.893 0.135 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.873 -1.263 1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 7 11.468 0.463 3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.195 -2.833 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.784 -1.105 1.891 1.00 0.00 H new ATOM 0 HH TYR A 7 12.756 -2.788 0.443 1.00 0.00 H new ATOM 90 N GLU A 8 7.017 2.656 4.684 1.00 0.00 N ATOM 91 CA GLU A 8 5.985 3.296 5.488 1.00 0.00 C ATOM 92 C GLU A 8 6.629 3.708 6.804 1.00 0.00 C ATOM 93 O GLU A 8 7.042 2.839 7.553 1.00 0.00 O ATOM 94 CB GLU A 8 4.813 2.306 5.705 1.00 0.00 C ATOM 95 CG GLU A 8 3.638 2.860 6.511 1.00 0.00 C ATOM 96 CD GLU A 8 2.512 1.826 6.658 1.00 0.00 C ATOM 97 OE1 GLU A 8 2.598 0.966 7.556 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.552 1.849 5.856 1.00 0.00 O ATOM 0 H GLU A 8 7.803 2.307 5.233 1.00 0.00 H new ATOM 0 HA GLU A 8 5.575 4.177 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.445 1.983 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.195 1.420 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.985 3.163 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.250 3.753 6.022 1.00 0.00 H new ATOM 105 N VAL A 9 6.767 5.016 7.061 1.00 0.00 N ATOM 106 CA VAL A 9 7.397 5.510 8.301 1.00 0.00 C ATOM 107 C VAL A 9 6.346 5.576 9.434 1.00 0.00 C ATOM 108 O VAL A 9 5.205 5.984 9.200 1.00 0.00 O ATOM 109 CB VAL A 9 8.095 6.914 8.079 1.00 0.00 C ATOM 110 CG1 VAL A 9 9.103 6.862 6.891 1.00 0.00 C ATOM 111 CG2 VAL A 9 7.068 8.050 7.877 1.00 0.00 C ATOM 0 H VAL A 9 6.452 5.753 6.430 1.00 0.00 H new ATOM 0 HA VAL A 9 8.180 4.810 8.593 1.00 0.00 H new ATOM 0 HB VAL A 9 8.650 7.137 8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.566 7.841 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.874 6.120 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.575 6.589 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.593 8.993 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.455 7.835 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.430 8.125 8.758 1.00 0.00 H new ATOM 121 N GLU A 10 6.708 5.118 10.646 1.00 0.00 N ATOM 122 CA GLU A 10 5.859 5.298 11.837 1.00 0.00 C ATOM 123 C GLU A 10 5.984 6.743 12.333 1.00 0.00 C ATOM 124 O GLU A 10 4.975 7.458 12.453 1.00 0.00 O ATOM 125 CB GLU A 10 6.226 4.285 12.967 1.00 0.00 C ATOM 126 CG GLU A 10 5.452 4.506 14.290 1.00 0.00 C ATOM 127 CD GLU A 10 5.475 3.301 15.247 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.660 2.378 15.062 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.280 3.278 16.203 1.00 0.00 O ATOM 0 H GLU A 10 7.581 4.622 10.826 1.00 0.00 H new ATOM 0 HA GLU A 10 4.824 5.099 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.033 3.273 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.295 4.353 13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.873 5.371 14.803 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.416 4.748 14.055 1.00 0.00 H new ATOM 136 N ARG A 11 7.244 7.162 12.577 1.00 0.00 N ATOM 137 CA ARG A 11 7.561 8.504 13.105 1.00 0.00 C ATOM 138 C ARG A 11 9.077 8.716 13.121 1.00 0.00 C ATOM 139 O ARG A 11 9.851 7.778 12.868 1.00 0.00 O ATOM 140 CB ARG A 11 6.969 8.690 14.540 1.00 0.00 C ATOM 141 CG ARG A 11 7.716 7.927 15.659 1.00 0.00 C ATOM 142 CD ARG A 11 6.945 7.901 16.994 1.00 0.00 C ATOM 143 NE ARG A 11 6.529 9.257 17.421 1.00 0.00 N ATOM 144 CZ ARG A 11 6.536 9.729 18.671 1.00 0.00 C ATOM 145 NH1 ARG A 11 7.030 9.015 19.676 1.00 0.00 N ATOM 146 NH2 ARG A 11 6.083 10.951 18.898 1.00 0.00 N ATOM 0 H ARG A 11 8.066 6.581 12.414 1.00 0.00 H new ATOM 0 HA ARG A 11 7.107 9.249 12.452 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.970 9.753 14.782 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.928 8.366 14.532 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.899 6.903 15.332 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.690 8.390 15.818 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.064 7.267 16.892 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.572 7.454 17.766 1.00 0.00 H new ATOM 0 HE ARG A 11 6.206 9.891 16.691 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.414 8.086 19.501 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.025 9.395 20.622 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.735 11.518 18.125 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.081 11.326 19.846 1.00 0.00 H new ATOM 160 N ILE A 12 9.497 9.952 13.425 1.00 0.00 N ATOM 161 CA ILE A 12 10.908 10.268 13.641 1.00 0.00 C ATOM 162 C ILE A 12 11.288 9.943 15.091 1.00 0.00 C ATOM 163 O ILE A 12 10.612 10.362 16.034 1.00 0.00 O ATOM 164 CB ILE A 12 11.254 11.766 13.335 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.753 12.171 11.910 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.783 12.019 13.490 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.260 13.512 11.423 1.00 0.00 C ATOM 0 H ILE A 12 8.872 10.751 13.526 1.00 0.00 H new ATOM 0 HA ILE A 12 11.483 9.658 12.944 1.00 0.00 H new ATOM 0 HB ILE A 12 10.736 12.394 14.060 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.057 11.402 11.200 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.663 12.188 11.913 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.003 13.064 13.273 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.088 11.788 14.511 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.330 11.382 12.795 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.863 13.711 10.428 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.933 14.295 12.107 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.349 13.496 11.383 1.00 0.00 H new ATOM 179 N VAL A 13 12.352 9.161 15.219 1.00 0.00 N ATOM 180 CA VAL A 13 12.987 8.802 16.489 1.00 0.00 C ATOM 181 C VAL A 13 13.853 9.969 16.990 1.00 0.00 C ATOM 182 O VAL A 13 13.653 10.481 18.097 1.00 0.00 O ATOM 183 CB VAL A 13 13.883 7.522 16.279 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.720 7.163 17.527 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.022 6.337 15.805 1.00 0.00 C ATOM 0 H VAL A 13 12.817 8.742 14.414 1.00 0.00 H new ATOM 0 HA VAL A 13 12.218 8.590 17.232 1.00 0.00 H new ATOM 0 HB VAL A 13 14.606 7.757 15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.316 6.274 17.322 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.381 7.994 17.773 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.054 6.968 18.368 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.655 5.461 15.664 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.260 6.118 16.553 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.540 6.592 14.861 1.00 0.00 H new ATOM 195 N ASP A 14 14.783 10.401 16.127 1.00 0.00 N ATOM 196 CA ASP A 14 15.885 11.301 16.495 1.00 0.00 C ATOM 197 C ASP A 14 16.472 11.921 15.204 1.00 0.00 C ATOM 198 O ASP A 14 15.951 11.677 14.115 1.00 0.00 O ATOM 199 CB ASP A 14 16.937 10.494 17.324 1.00 0.00 C ATOM 200 CG ASP A 14 18.034 11.359 17.962 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.713 12.204 18.827 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.211 11.218 17.589 1.00 0.00 O ATOM 0 H ASP A 14 14.791 10.132 15.143 1.00 0.00 H new ATOM 0 HA ASP A 14 15.543 12.124 17.122 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.419 9.945 18.111 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.405 9.754 16.674 1.00 0.00 H new ATOM 207 N LYS A 15 17.499 12.771 15.325 1.00 0.00 N ATOM 208 CA LYS A 15 18.255 13.297 14.167 1.00 0.00 C ATOM 209 C LYS A 15 19.753 13.276 14.478 1.00 0.00 C ATOM 210 O LYS A 15 20.154 13.097 15.632 1.00 0.00 O ATOM 211 CB LYS A 15 17.771 14.740 13.781 1.00 0.00 C ATOM 212 CG LYS A 15 18.087 15.877 14.803 1.00 0.00 C ATOM 213 CD LYS A 15 19.451 16.579 14.583 1.00 0.00 C ATOM 214 CE LYS A 15 19.854 17.470 15.771 1.00 0.00 C ATOM 215 NZ LYS A 15 21.166 18.127 15.549 1.00 0.00 N ATOM 0 H LYS A 15 17.834 13.117 16.224 1.00 0.00 H new ATOM 0 HA LYS A 15 18.069 12.657 13.305 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.221 15.006 12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.692 14.709 13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.296 16.625 14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.066 15.459 15.810 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.222 15.825 14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.402 17.185 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.089 18.230 15.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.898 16.867 16.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.402 18.718 16.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.900 17.402 15.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.117 18.722 14.698 1.00 0.00 H new ATOM 229 N ARG A 16 20.567 13.485 13.443 1.00 0.00 N ATOM 230 CA ARG A 16 22.022 13.605 13.571 1.00 0.00 C ATOM 231 C ARG A 16 22.593 14.237 12.301 1.00 0.00 C ATOM 232 O ARG A 16 21.855 14.543 11.350 1.00 0.00 O ATOM 233 CB ARG A 16 22.649 12.203 13.858 1.00 0.00 C ATOM 234 CG ARG A 16 22.394 11.122 12.754 1.00 0.00 C ATOM 235 CD ARG A 16 23.667 10.699 11.997 1.00 0.00 C ATOM 236 NE ARG A 16 23.368 9.818 10.851 1.00 0.00 N ATOM 237 CZ ARG A 16 24.215 8.942 10.302 1.00 0.00 C ATOM 238 NH1 ARG A 16 25.395 8.693 10.850 1.00 0.00 N ATOM 239 NH2 ARG A 16 23.860 8.304 9.211 1.00 0.00 N ATOM 0 H ARG A 16 20.233 13.577 12.483 1.00 0.00 H new ATOM 0 HA ARG A 16 22.272 14.253 14.411 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.725 12.323 13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.255 11.833 14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.947 10.242 13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.668 11.510 12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.189 11.588 11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.341 10.185 12.682 1.00 0.00 H new ATOM 0 HE ARG A 16 22.435 9.883 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.671 9.173 11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.027 8.021 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 16 22.947 8.479 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.497 7.633 8.782 1.00 0.00 H new ATOM 253 N LYS A 17 23.902 14.464 12.304 1.00 0.00 N ATOM 254 CA LYS A 17 24.647 14.894 11.122 1.00 0.00 C ATOM 255 C LYS A 17 25.473 13.703 10.647 1.00 0.00 C ATOM 256 O LYS A 17 26.093 13.009 11.467 1.00 0.00 O ATOM 257 CB LYS A 17 25.552 16.141 11.428 1.00 0.00 C ATOM 258 CG LYS A 17 25.583 17.240 10.319 1.00 0.00 C ATOM 259 CD LYS A 17 24.472 18.331 10.463 1.00 0.00 C ATOM 260 CE LYS A 17 23.032 17.806 10.287 1.00 0.00 C ATOM 261 NZ LYS A 17 22.015 18.853 10.512 1.00 0.00 N ATOM 0 H LYS A 17 24.483 14.354 13.135 1.00 0.00 H new ATOM 0 HA LYS A 17 23.959 15.212 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.209 16.597 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.571 15.795 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.558 17.727 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.481 16.760 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.559 18.792 11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.652 19.114 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.917 17.403 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.861 16.984 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.363 18.548 11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.484 19.736 10.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.481 19.013 9.634 1.00 0.00 H new ATOM 275 N ASN A 18 25.436 13.445 9.336 1.00 0.00 N ATOM 276 CA ASN A 18 26.212 12.367 8.693 1.00 0.00 C ATOM 277 C ASN A 18 27.733 12.672 8.792 1.00 0.00 C ATOM 278 O ASN A 18 28.125 13.781 9.187 1.00 0.00 O ATOM 279 CB ASN A 18 25.751 12.215 7.208 1.00 0.00 C ATOM 280 CG ASN A 18 26.198 10.905 6.554 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.270 10.830 5.956 1.00 0.00 O ATOM 282 ND2 ASN A 18 25.385 9.862 6.685 1.00 0.00 N ATOM 0 H ASN A 18 24.864 13.979 8.682 1.00 0.00 H new ATOM 0 HA ASN A 18 26.033 11.423 9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.664 12.279 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.142 13.051 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 18 25.643 8.961 6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 18 24.503 9.963 7.188 1.00 0.00 H new ATOM 289 N LYS A 19 28.588 11.693 8.433 1.00 0.00 N ATOM 290 CA LYS A 19 30.055 11.899 8.340 1.00 0.00 C ATOM 291 C LYS A 19 30.380 12.951 7.249 1.00 0.00 C ATOM 292 O LYS A 19 31.394 13.646 7.315 1.00 0.00 O ATOM 293 CB LYS A 19 30.777 10.525 8.096 1.00 0.00 C ATOM 294 CG LYS A 19 30.468 9.798 6.750 1.00 0.00 C ATOM 295 CD LYS A 19 31.391 10.242 5.577 1.00 0.00 C ATOM 296 CE LYS A 19 31.019 9.600 4.230 1.00 0.00 C ATOM 297 NZ LYS A 19 31.141 8.119 4.260 1.00 0.00 N ATOM 0 H LYS A 19 28.289 10.746 8.201 1.00 0.00 H new ATOM 0 HA LYS A 19 30.433 12.295 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.853 10.691 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.514 9.853 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 19 30.571 8.723 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.430 9.985 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.345 11.327 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 19 32.423 9.987 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.996 9.873 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 19 31.665 10.000 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.913 7.733 3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 32.114 7.856 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.481 7.730 4.964 1.00 0.00 H new ATOM 311 N LYS A 20 29.475 13.038 6.250 1.00 0.00 N ATOM 312 CA LYS A 20 29.544 14.020 5.146 1.00 0.00 C ATOM 313 C LYS A 20 28.913 15.381 5.567 1.00 0.00 C ATOM 314 O LYS A 20 28.900 16.348 4.789 1.00 0.00 O ATOM 315 CB LYS A 20 28.850 13.399 3.889 1.00 0.00 C ATOM 316 CG LYS A 20 29.012 14.197 2.571 1.00 0.00 C ATOM 317 CD LYS A 20 28.516 13.430 1.318 1.00 0.00 C ATOM 318 CE LYS A 20 27.030 13.051 1.389 1.00 0.00 C ATOM 319 NZ LYS A 20 26.575 12.364 0.162 1.00 0.00 N ATOM 0 H LYS A 20 28.666 12.420 6.187 1.00 0.00 H new ATOM 0 HA LYS A 20 30.583 14.237 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 20 29.247 12.395 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 20 27.786 13.292 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 20 28.463 15.135 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.063 14.453 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 20 28.686 14.044 0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 20 29.110 12.524 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 20 26.861 12.405 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 20 26.433 13.950 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 25.567 12.126 0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 26.712 12.990 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 27.126 11.492 0.027 1.00 0.00 H new ATOM 333 N GLY A 21 28.419 15.442 6.817 1.00 0.00 N ATOM 334 CA GLY A 21 27.836 16.654 7.389 1.00 0.00 C ATOM 335 C GLY A 21 26.473 16.985 6.807 1.00 0.00 C ATOM 336 O GLY A 21 26.114 18.157 6.657 1.00 0.00 O ATOM 0 H GLY A 21 28.416 14.646 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.745 16.533 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.512 17.492 7.218 1.00 0.00 H new ATOM 340 N LYS A 22 25.712 15.935 6.468 1.00 0.00 N ATOM 341 CA LYS A 22 24.375 16.068 5.865 1.00 0.00 C ATOM 342 C LYS A 22 23.280 15.874 6.913 1.00 0.00 C ATOM 343 O LYS A 22 23.509 15.280 7.972 1.00 0.00 O ATOM 344 CB LYS A 22 24.213 15.058 4.706 1.00 0.00 C ATOM 345 CG LYS A 22 25.192 15.289 3.539 1.00 0.00 C ATOM 346 CD LYS A 22 25.031 16.684 2.889 1.00 0.00 C ATOM 347 CE LYS A 22 26.106 16.977 1.828 1.00 0.00 C ATOM 348 NZ LYS A 22 25.967 18.348 1.273 1.00 0.00 N ATOM 0 H LYS A 22 26.005 14.967 6.604 1.00 0.00 H new ATOM 0 HA LYS A 22 24.275 17.077 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.355 14.049 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.192 15.113 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.214 15.177 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.036 14.520 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.045 16.754 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.075 17.448 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.096 16.861 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.030 16.248 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.707 18.511 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.032 18.450 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.064 19.044 2.039 1.00 0.00 H new ATOM 362 N TRP A 23 22.091 16.384 6.589 1.00 0.00 N ATOM 363 CA TRP A 23 20.926 16.352 7.471 1.00 0.00 C ATOM 364 C TRP A 23 20.358 14.934 7.485 1.00 0.00 C ATOM 365 O TRP A 23 19.900 14.432 6.462 1.00 0.00 O ATOM 366 CB TRP A 23 19.871 17.388 6.996 1.00 0.00 C ATOM 367 CG TRP A 23 20.362 18.825 7.054 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.077 19.753 8.019 1.00 0.00 C ATOM 369 CD2 TRP A 23 21.238 19.488 6.113 1.00 0.00 C ATOM 370 NE1 TRP A 23 20.711 20.935 7.739 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.431 20.798 6.582 1.00 0.00 C ATOM 372 CE3 TRP A 23 21.878 19.099 4.925 1.00 0.00 C ATOM 373 CZ2 TRP A 23 22.233 21.718 5.912 1.00 0.00 C ATOM 374 CZ3 TRP A 23 22.673 20.011 4.262 1.00 0.00 C ATOM 375 CH2 TRP A 23 22.847 21.309 4.758 1.00 0.00 C ATOM 0 H TRP A 23 21.909 16.837 5.694 1.00 0.00 H new ATOM 0 HA TRP A 23 21.213 16.622 8.487 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.579 17.154 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 23 18.977 17.293 7.612 1.00 0.00 H new ATOM 0 HD1 TRP A 23 19.444 19.579 8.877 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.656 21.783 8.303 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.750 18.100 4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 22.367 22.721 6.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 23.168 19.720 3.347 1.00 0.00 H new ATOM 0 HH2 TRP A 23 23.478 22.001 4.220 1.00 0.00 H new ATOM 386 N GLU A 24 20.458 14.287 8.640 1.00 0.00 N ATOM 387 CA GLU A 24 19.981 12.919 8.859 1.00 0.00 C ATOM 388 C GLU A 24 18.885 12.938 9.907 1.00 0.00 C ATOM 389 O GLU A 24 18.901 13.780 10.821 1.00 0.00 O ATOM 390 CB GLU A 24 21.142 12.030 9.358 1.00 0.00 C ATOM 391 CG GLU A 24 22.290 11.828 8.357 1.00 0.00 C ATOM 392 CD GLU A 24 21.939 10.853 7.223 1.00 0.00 C ATOM 393 OE1 GLU A 24 21.984 9.629 7.454 1.00 0.00 O ATOM 394 OE2 GLU A 24 21.622 11.298 6.109 1.00 0.00 O ATOM 0 H GLU A 24 20.881 14.703 9.470 1.00 0.00 H new ATOM 0 HA GLU A 24 19.597 12.517 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.549 12.469 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.740 11.053 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.563 12.792 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.166 11.457 8.889 1.00 0.00 H new ATOM 401 N TYR A 25 17.938 12.019 9.770 1.00 0.00 N ATOM 402 CA TYR A 25 16.903 11.769 10.765 1.00 0.00 C ATOM 403 C TYR A 25 16.820 10.261 11.004 1.00 0.00 C ATOM 404 O TYR A 25 16.690 9.477 10.056 1.00 0.00 O ATOM 405 CB TYR A 25 15.526 12.331 10.314 1.00 0.00 C ATOM 406 CG TYR A 25 15.399 13.865 10.401 1.00 0.00 C ATOM 407 CD1 TYR A 25 15.877 14.694 9.388 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.788 14.482 11.503 1.00 0.00 C ATOM 409 CE1 TYR A 25 15.751 16.066 9.468 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.662 15.857 11.581 1.00 0.00 C ATOM 411 CZ TYR A 25 15.145 16.641 10.561 1.00 0.00 C ATOM 412 OH TYR A 25 15.023 18.011 10.630 1.00 0.00 O ATOM 0 H TYR A 25 17.866 11.416 8.950 1.00 0.00 H new ATOM 0 HA TYR A 25 17.164 12.282 11.690 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.342 12.022 9.285 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.746 11.880 10.927 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.355 14.255 8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.408 13.870 12.308 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.129 16.689 8.671 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.187 16.312 12.438 1.00 0.00 H new ATOM 0 HH TYR A 25 15.206 18.401 9.750 1.00 0.00 H new ATOM 422 N LEU A 26 16.959 9.875 12.274 1.00 0.00 N ATOM 423 CA LEU A 26 16.723 8.515 12.728 1.00 0.00 C ATOM 424 C LEU A 26 15.206 8.292 12.711 1.00 0.00 C ATOM 425 O LEU A 26 14.476 8.960 13.436 1.00 0.00 O ATOM 426 CB LEU A 26 17.315 8.326 14.154 1.00 0.00 C ATOM 427 CG LEU A 26 17.554 6.865 14.617 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.463 6.119 13.618 1.00 0.00 C ATOM 429 CD2 LEU A 26 18.142 6.825 16.055 1.00 0.00 C ATOM 0 H LEU A 26 17.242 10.510 13.020 1.00 0.00 H new ATOM 0 HA LEU A 26 17.210 7.785 12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.265 8.859 14.202 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.644 8.805 14.868 1.00 0.00 H new ATOM 0 HG LEU A 26 16.592 6.353 14.641 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.618 5.096 13.961 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.990 6.105 12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.424 6.629 13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.300 5.789 16.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.093 7.357 16.074 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.446 7.301 16.746 1.00 0.00 H new ATOM 441 N ILE A 27 14.751 7.440 11.796 1.00 0.00 N ATOM 442 CA ILE A 27 13.333 7.118 11.591 1.00 0.00 C ATOM 443 C ILE A 27 13.084 5.663 12.011 1.00 0.00 C ATOM 444 O ILE A 27 13.961 4.819 11.872 1.00 0.00 O ATOM 445 CB ILE A 27 12.926 7.272 10.067 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.435 8.616 9.452 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.398 7.120 9.860 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.824 9.859 10.054 1.00 0.00 C ATOM 0 H ILE A 27 15.370 6.939 11.158 1.00 0.00 H new ATOM 0 HA ILE A 27 12.737 7.807 12.189 1.00 0.00 H new ATOM 0 HB ILE A 27 13.420 6.459 9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.517 8.666 9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.231 8.610 8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.161 7.232 8.802 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.081 6.134 10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.875 7.887 10.432 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.237 10.741 9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.743 9.838 9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.050 9.896 11.120 1.00 0.00 H new ATOM 460 N ARG A 28 11.892 5.384 12.536 1.00 0.00 N ATOM 461 CA ARG A 28 11.382 4.013 12.683 1.00 0.00 C ATOM 462 C ARG A 28 10.221 3.843 11.694 1.00 0.00 C ATOM 463 O ARG A 28 9.324 4.700 11.631 1.00 0.00 O ATOM 464 CB ARG A 28 10.922 3.737 14.144 1.00 0.00 C ATOM 465 CG ARG A 28 9.948 4.799 14.707 1.00 0.00 C ATOM 466 CD ARG A 28 9.256 4.364 16.001 1.00 0.00 C ATOM 467 NE ARG A 28 10.189 3.996 17.077 1.00 0.00 N ATOM 468 CZ ARG A 28 9.845 3.269 18.151 1.00 0.00 C ATOM 469 NH1 ARG A 28 8.632 2.729 18.249 1.00 0.00 N ATOM 470 NH2 ARG A 28 10.728 3.063 19.107 1.00 0.00 N ATOM 0 H ARG A 28 11.248 6.100 12.873 1.00 0.00 H new ATOM 0 HA ARG A 28 12.171 3.292 12.466 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.441 2.760 14.184 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.800 3.687 14.787 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.496 5.723 14.890 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.190 5.021 13.955 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.615 5.174 16.349 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.608 3.514 15.788 1.00 0.00 H new ATOM 0 HE ARG A 28 11.156 4.313 17.002 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.951 2.866 17.502 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.384 2.179 19.071 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.666 3.455 19.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.473 2.511 19.926 1.00 0.00 H new ATOM 484 N TRP A 29 10.282 2.780 10.881 1.00 0.00 N ATOM 485 CA TRP A 29 9.206 2.424 9.946 1.00 0.00 C ATOM 486 C TRP A 29 8.080 1.689 10.688 1.00 0.00 C ATOM 487 O TRP A 29 8.321 1.015 11.691 1.00 0.00 O ATOM 488 CB TRP A 29 9.734 1.563 8.770 1.00 0.00 C ATOM 489 CG TRP A 29 10.689 2.277 7.833 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.668 3.595 7.467 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.775 1.688 7.111 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.680 3.855 6.583 1.00 0.00 N ATOM 493 CE2 TRP A 29 12.373 2.701 6.348 1.00 0.00 C ATOM 494 CE3 TRP A 29 12.299 0.397 7.044 1.00 0.00 C ATOM 495 CZ2 TRP A 29 13.475 2.466 5.531 1.00 0.00 C ATOM 496 CZ3 TRP A 29 13.389 0.162 6.235 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.969 1.192 5.488 1.00 0.00 C ATOM 0 H TRP A 29 11.078 2.143 10.853 1.00 0.00 H new ATOM 0 HA TRP A 29 8.810 3.348 9.525 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.237 0.686 9.178 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.883 1.203 8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.956 4.325 7.824 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.884 4.764 6.167 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.857 -0.405 7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.923 3.260 4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.802 -0.834 6.177 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.824 0.977 4.865 1.00 0.00 H new ATOM 508 N LYS A 30 6.849 1.855 10.189 1.00 0.00 N ATOM 509 CA LYS A 30 5.652 1.233 10.759 1.00 0.00 C ATOM 510 C LYS A 30 5.597 -0.245 10.335 1.00 0.00 C ATOM 511 O LYS A 30 5.840 -0.570 9.165 1.00 0.00 O ATOM 512 CB LYS A 30 4.384 1.997 10.302 1.00 0.00 C ATOM 513 CG LYS A 30 3.133 1.715 11.166 1.00 0.00 C ATOM 514 CD LYS A 30 1.880 2.481 10.687 1.00 0.00 C ATOM 515 CE LYS A 30 0.623 2.128 11.508 1.00 0.00 C ATOM 516 NZ LYS A 30 0.265 0.681 11.407 1.00 0.00 N ATOM 0 H LYS A 30 6.656 2.431 9.370 1.00 0.00 H new ATOM 0 HA LYS A 30 5.694 1.281 11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.591 3.067 10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.166 1.732 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.924 0.645 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.344 1.987 12.200 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.065 3.553 10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.699 2.255 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.791 2.386 12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.216 2.732 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.672 0.525 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.244 0.398 10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.973 0.112 11.913 1.00 0.00 H new ATOM 530 N GLY A 31 5.285 -1.124 11.297 1.00 0.00 N ATOM 531 CA GLY A 31 5.472 -2.572 11.149 1.00 0.00 C ATOM 532 C GLY A 31 6.798 -3.024 11.771 1.00 0.00 C ATOM 533 O GLY A 31 6.998 -4.212 12.037 1.00 0.00 O ATOM 0 H GLY A 31 4.896 -0.850 12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.645 -3.099 11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.453 -2.838 10.092 1.00 0.00 H new ATOM 537 N TYR A 32 7.703 -2.048 11.993 1.00 0.00 N ATOM 538 CA TYR A 32 9.002 -2.246 12.661 1.00 0.00 C ATOM 539 C TYR A 32 9.034 -1.433 13.974 1.00 0.00 C ATOM 540 O TYR A 32 8.238 -0.498 14.152 1.00 0.00 O ATOM 541 CB TYR A 32 10.148 -1.809 11.722 1.00 0.00 C ATOM 542 CG TYR A 32 10.206 -2.567 10.391 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.714 -3.866 10.318 1.00 0.00 C ATOM 544 CD2 TYR A 32 9.758 -1.983 9.207 1.00 0.00 C ATOM 545 CE1 TYR A 32 10.762 -4.548 9.116 1.00 0.00 C ATOM 546 CE2 TYR A 32 9.807 -2.659 8.006 1.00 0.00 C ATOM 547 CZ TYR A 32 10.312 -3.941 7.966 1.00 0.00 C ATOM 548 OH TYR A 32 10.365 -4.623 6.769 1.00 0.00 O ATOM 0 H TYR A 32 7.546 -1.082 11.706 1.00 0.00 H new ATOM 0 HA TYR A 32 9.135 -3.302 12.897 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.044 -0.744 11.514 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.097 -1.941 12.242 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.075 -4.346 11.215 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.363 -0.978 9.231 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.152 -5.555 9.080 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.452 -2.187 7.102 1.00 0.00 H new ATOM 0 HH TYR A 32 10.009 -4.056 6.053 1.00 0.00 H new ATOM 558 N GLY A 33 9.951 -1.793 14.892 1.00 0.00 N ATOM 559 CA GLY A 33 10.071 -1.117 16.196 1.00 0.00 C ATOM 560 C GLY A 33 11.301 -0.232 16.273 1.00 0.00 C ATOM 561 O GLY A 33 11.757 0.298 15.252 1.00 0.00 O ATOM 0 H GLY A 33 10.620 -2.550 14.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.180 -0.514 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.113 -1.865 16.988 1.00 0.00 H new ATOM 565 N SER A 34 11.856 -0.091 17.490 1.00 0.00 N ATOM 566 CA SER A 34 13.108 0.653 17.726 1.00 0.00 C ATOM 567 C SER A 34 14.314 -0.130 17.150 1.00 0.00 C ATOM 568 O SER A 34 15.310 0.461 16.727 1.00 0.00 O ATOM 569 CB SER A 34 13.292 0.911 19.242 1.00 0.00 C ATOM 570 OG SER A 34 14.434 1.711 19.519 1.00 0.00 O ATOM 0 H SER A 34 11.450 -0.489 18.337 1.00 0.00 H new ATOM 0 HA SER A 34 13.052 1.615 17.216 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.402 1.403 19.635 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.385 -0.043 19.762 1.00 0.00 H new ATOM 0 HG SER A 34 14.744 2.136 18.692 1.00 0.00 H new ATOM 576 N THR A 35 14.179 -1.470 17.087 1.00 0.00 N ATOM 577 CA THR A 35 15.181 -2.367 16.464 1.00 0.00 C ATOM 578 C THR A 35 15.384 -2.052 14.950 1.00 0.00 C ATOM 579 O THR A 35 16.349 -2.526 14.336 1.00 0.00 O ATOM 580 CB THR A 35 14.769 -3.863 16.667 1.00 0.00 C ATOM 581 OG1 THR A 35 15.738 -4.748 16.073 1.00 0.00 O ATOM 582 CG2 THR A 35 13.377 -4.163 16.086 1.00 0.00 C ATOM 0 H THR A 35 13.372 -1.964 17.467 1.00 0.00 H new ATOM 0 HA THR A 35 16.136 -2.191 16.960 1.00 0.00 H new ATOM 0 HB THR A 35 14.733 -4.034 17.743 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.102 -4.337 15.261 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.133 -5.213 16.250 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.634 -3.536 16.579 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.376 -3.953 15.016 1.00 0.00 H new ATOM 590 N GLU A 36 14.462 -1.248 14.369 1.00 0.00 N ATOM 591 CA GLU A 36 14.615 -0.691 13.023 1.00 0.00 C ATOM 592 C GLU A 36 15.672 0.434 13.038 1.00 0.00 C ATOM 593 O GLU A 36 16.766 0.258 12.487 1.00 0.00 O ATOM 594 CB GLU A 36 13.252 -0.162 12.491 1.00 0.00 C ATOM 595 CG GLU A 36 13.291 0.484 11.084 1.00 0.00 C ATOM 596 CD GLU A 36 13.951 -0.410 10.012 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.399 -1.494 9.695 1.00 0.00 O ATOM 598 OE2 GLU A 36 15.024 -0.040 9.481 1.00 0.00 O ATOM 0 H GLU A 36 13.594 -0.973 14.829 1.00 0.00 H new ATOM 0 HA GLU A 36 14.954 -1.480 12.351 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.543 -0.990 12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.866 0.572 13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.273 0.719 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.833 1.428 11.142 1.00 0.00 H new ATOM 605 N ASP A 37 15.341 1.511 13.792 1.00 0.00 N ATOM 606 CA ASP A 37 15.963 2.867 13.724 1.00 0.00 C ATOM 607 C ASP A 37 16.968 3.066 12.552 1.00 0.00 C ATOM 608 O ASP A 37 18.175 2.819 12.702 1.00 0.00 O ATOM 609 CB ASP A 37 16.611 3.237 15.094 1.00 0.00 C ATOM 610 CG ASP A 37 15.626 3.376 16.275 1.00 0.00 C ATOM 611 OD1 ASP A 37 14.394 3.382 16.066 1.00 0.00 O ATOM 612 OD2 ASP A 37 16.094 3.453 17.435 1.00 0.00 O ATOM 0 H ASP A 37 14.603 1.462 14.495 1.00 0.00 H new ATOM 0 HA ASP A 37 15.146 3.555 13.507 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.349 2.475 15.346 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.150 4.177 14.980 1.00 0.00 H new ATOM 617 N THR A 38 16.439 3.497 11.398 1.00 0.00 N ATOM 618 CA THR A 38 17.202 3.680 10.153 1.00 0.00 C ATOM 619 C THR A 38 17.576 5.166 9.963 1.00 0.00 C ATOM 620 O THR A 38 16.799 6.053 10.307 1.00 0.00 O ATOM 621 CB THR A 38 16.353 3.164 8.930 1.00 0.00 C ATOM 622 OG1 THR A 38 17.047 3.388 7.689 1.00 0.00 O ATOM 623 CG2 THR A 38 14.947 3.802 8.857 1.00 0.00 C ATOM 0 H THR A 38 15.451 3.733 11.301 1.00 0.00 H new ATOM 0 HA THR A 38 18.124 3.102 10.213 1.00 0.00 H new ATOM 0 HB THR A 38 16.220 2.094 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.501 3.058 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.412 3.406 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.393 3.567 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.043 4.883 8.760 1.00 0.00 H new ATOM 631 N TRP A 39 18.780 5.433 9.415 1.00 0.00 N ATOM 632 CA TRP A 39 19.246 6.805 9.134 1.00 0.00 C ATOM 633 C TRP A 39 18.808 7.205 7.720 1.00 0.00 C ATOM 634 O TRP A 39 19.468 6.850 6.730 1.00 0.00 O ATOM 635 CB TRP A 39 20.787 6.908 9.268 1.00 0.00 C ATOM 636 CG TRP A 39 21.322 6.452 10.603 1.00 0.00 C ATOM 637 CD1 TRP A 39 21.315 7.146 11.781 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.961 5.201 10.879 1.00 0.00 C ATOM 639 NE1 TRP A 39 21.902 6.396 12.768 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.313 5.203 12.238 1.00 0.00 C ATOM 641 CE3 TRP A 39 22.268 4.079 10.100 1.00 0.00 C ATOM 642 CZ2 TRP A 39 22.959 4.129 12.839 1.00 0.00 C ATOM 643 CZ3 TRP A 39 22.908 3.012 10.698 1.00 0.00 C ATOM 644 CH2 TRP A 39 23.248 3.045 12.056 1.00 0.00 C ATOM 0 H TRP A 39 19.451 4.709 9.157 1.00 0.00 H new ATOM 0 HA TRP A 39 18.803 7.484 9.862 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.250 6.313 8.481 1.00 0.00 H new ATOM 0 HB3 TRP A 39 21.087 7.943 9.103 1.00 0.00 H new ATOM 0 HD1 TRP A 39 20.908 8.137 11.914 1.00 0.00 H new ATOM 0 HE1 TRP A 39 22.014 6.682 13.741 1.00 0.00 H new ATOM 0 HE3 TRP A 39 22.009 4.049 9.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.223 4.149 13.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 23.150 2.139 10.110 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.750 2.195 12.495 1.00 0.00 H new ATOM 655 N GLU A 40 17.649 7.872 7.627 1.00 0.00 N ATOM 656 CA GLU A 40 17.131 8.386 6.353 1.00 0.00 C ATOM 657 C GLU A 40 17.449 9.891 6.259 1.00 0.00 C ATOM 658 O GLU A 40 17.158 10.640 7.204 1.00 0.00 O ATOM 659 CB GLU A 40 15.603 8.121 6.215 1.00 0.00 C ATOM 660 CG GLU A 40 15.219 6.630 6.293 1.00 0.00 C ATOM 661 CD GLU A 40 13.772 6.319 5.880 1.00 0.00 C ATOM 662 OE1 GLU A 40 12.834 6.711 6.605 1.00 0.00 O ATOM 663 OE2 GLU A 40 13.573 5.648 4.836 1.00 0.00 O ATOM 0 H GLU A 40 17.048 8.069 8.427 1.00 0.00 H new ATOM 0 HA GLU A 40 17.616 7.862 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.078 8.663 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.258 8.526 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.895 6.061 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.374 6.281 7.314 1.00 0.00 H new ATOM 670 N PRO A 41 18.064 10.357 5.125 1.00 0.00 N ATOM 671 CA PRO A 41 18.423 11.779 4.946 1.00 0.00 C ATOM 672 C PRO A 41 17.164 12.642 4.823 1.00 0.00 C ATOM 673 O PRO A 41 16.164 12.170 4.308 1.00 0.00 O ATOM 674 CB PRO A 41 19.255 11.783 3.635 1.00 0.00 C ATOM 675 CG PRO A 41 18.798 10.576 2.877 1.00 0.00 C ATOM 676 CD PRO A 41 18.433 9.543 3.926 1.00 0.00 C ATOM 0 HA PRO A 41 18.977 12.194 5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.084 12.695 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.323 11.734 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.941 10.812 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.585 10.205 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.603 8.917 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.270 8.877 4.138 1.00 0.00 H new ATOM 684 N GLU A 42 17.223 13.892 5.298 1.00 0.00 N ATOM 685 CA GLU A 42 16.092 14.839 5.252 1.00 0.00 C ATOM 686 C GLU A 42 15.597 15.040 3.802 1.00 0.00 C ATOM 687 O GLU A 42 14.394 15.061 3.536 1.00 0.00 O ATOM 688 CB GLU A 42 16.533 16.191 5.863 1.00 0.00 C ATOM 689 CG GLU A 42 15.445 17.279 5.911 1.00 0.00 C ATOM 690 CD GLU A 42 15.939 18.602 6.526 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.623 19.373 5.825 1.00 0.00 O ATOM 692 OE2 GLU A 42 15.647 18.882 7.711 1.00 0.00 O ATOM 0 H GLU A 42 18.061 14.282 5.729 1.00 0.00 H new ATOM 0 HA GLU A 42 15.265 14.429 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.890 16.013 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.378 16.571 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.084 17.468 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.597 16.911 6.489 1.00 0.00 H new ATOM 699 N HIS A 43 16.560 15.096 2.870 1.00 0.00 N ATOM 700 CA HIS A 43 16.301 15.295 1.433 1.00 0.00 C ATOM 701 C HIS A 43 15.552 14.082 0.801 1.00 0.00 C ATOM 702 O HIS A 43 15.085 14.162 -0.342 1.00 0.00 O ATOM 703 CB HIS A 43 17.657 15.560 0.720 1.00 0.00 C ATOM 704 CG HIS A 43 17.556 15.985 -0.718 1.00 0.00 C ATOM 705 ND1 HIS A 43 18.306 15.423 -1.729 1.00 0.00 N ATOM 706 CD2 HIS A 43 16.793 16.937 -1.304 1.00 0.00 C ATOM 707 CE1 HIS A 43 18.009 16.011 -2.871 1.00 0.00 C ATOM 708 NE2 HIS A 43 17.093 16.932 -2.642 1.00 0.00 N ATOM 0 H HIS A 43 17.551 15.004 3.093 1.00 0.00 H new ATOM 0 HA HIS A 43 15.644 16.155 1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.194 16.331 1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.259 14.653 0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.080 17.581 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 43 18.443 15.778 -3.832 1.00 0.00 H new ATOM 0 HE2 HIS A 43 16.676 17.541 -3.346 1.00 0.00 H new ATOM 717 N HIS A 44 15.443 12.954 1.541 1.00 0.00 N ATOM 718 CA HIS A 44 14.735 11.736 1.074 1.00 0.00 C ATOM 719 C HIS A 44 13.850 11.113 2.173 1.00 0.00 C ATOM 720 O HIS A 44 13.280 10.051 1.925 1.00 0.00 O ATOM 721 CB HIS A 44 15.744 10.662 0.558 1.00 0.00 C ATOM 722 CG HIS A 44 16.504 11.077 -0.672 1.00 0.00 C ATOM 723 ND1 HIS A 44 16.064 10.801 -1.949 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.662 11.766 -0.815 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.913 11.304 -2.823 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.895 11.894 -2.163 1.00 0.00 N ATOM 0 H HIS A 44 15.841 12.861 2.475 1.00 0.00 H new ATOM 0 HA HIS A 44 14.089 12.055 0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.455 10.435 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.201 9.742 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.285 12.144 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.822 11.244 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.694 12.367 -2.585 1.00 0.00 H new ATOM 735 N LEU A 45 13.712 11.757 3.363 1.00 0.00 N ATOM 736 CA LEU A 45 12.994 11.122 4.516 1.00 0.00 C ATOM 737 C LEU A 45 11.473 11.117 4.273 1.00 0.00 C ATOM 738 O LEU A 45 10.769 10.205 4.726 1.00 0.00 O ATOM 739 CB LEU A 45 13.335 11.798 5.905 1.00 0.00 C ATOM 740 CG LEU A 45 12.345 12.892 6.481 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.648 13.194 7.958 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.348 14.203 5.660 1.00 0.00 C ATOM 0 H LEU A 45 14.076 12.691 3.553 1.00 0.00 H new ATOM 0 HA LEU A 45 13.350 10.093 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.419 11.004 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.320 12.257 5.817 1.00 0.00 H new ATOM 0 HG LEU A 45 11.346 12.464 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.952 13.948 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.538 12.283 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.668 13.565 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.650 14.912 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.350 14.631 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.046 13.991 4.635 1.00 0.00 H new ATOM 754 N LEU A 46 11.017 12.170 3.550 1.00 0.00 N ATOM 755 CA LEU A 46 9.601 12.442 3.210 1.00 0.00 C ATOM 756 C LEU A 46 9.481 13.844 2.596 1.00 0.00 C ATOM 757 O LEU A 46 10.422 14.646 2.645 1.00 0.00 O ATOM 758 CB LEU A 46 8.643 12.336 4.455 1.00 0.00 C ATOM 759 CG LEU A 46 7.773 11.045 4.529 1.00 0.00 C ATOM 760 CD1 LEU A 46 6.987 11.000 5.839 1.00 0.00 C ATOM 761 CD2 LEU A 46 6.849 10.909 3.291 1.00 0.00 C ATOM 0 H LEU A 46 11.649 12.877 3.175 1.00 0.00 H new ATOM 0 HA LEU A 46 9.291 11.679 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.246 12.398 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.979 13.200 4.454 1.00 0.00 H new ATOM 0 HG LEU A 46 8.441 10.184 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.386 10.091 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.681 11.007 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.333 11.870 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.257 9.998 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.183 11.770 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.456 10.863 2.387 1.00 0.00 H new ATOM 773 N HIS A 47 8.299 14.114 2.027 1.00 0.00 N ATOM 774 CA HIS A 47 7.867 15.466 1.619 1.00 0.00 C ATOM 775 C HIS A 47 6.920 16.061 2.702 1.00 0.00 C ATOM 776 O HIS A 47 6.529 17.230 2.633 1.00 0.00 O ATOM 777 CB HIS A 47 7.175 15.388 0.226 1.00 0.00 C ATOM 778 CG HIS A 47 6.774 16.721 -0.351 1.00 0.00 C ATOM 779 ND1 HIS A 47 5.464 17.115 -0.492 1.00 0.00 N ATOM 780 CD2 HIS A 47 7.522 17.759 -0.800 1.00 0.00 C ATOM 781 CE1 HIS A 47 5.424 18.331 -0.997 1.00 0.00 C ATOM 782 NE2 HIS A 47 6.657 18.746 -1.195 1.00 0.00 N ATOM 0 H HIS A 47 7.604 13.393 1.833 1.00 0.00 H new ATOM 0 HA HIS A 47 8.729 16.127 1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.849 14.893 -0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.287 14.762 0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.600 17.800 -0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.528 18.894 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.925 19.652 -1.579 1.00 0.00 H new ATOM 791 N CYS A 48 6.598 15.241 3.722 1.00 0.00 N ATOM 792 CA CYS A 48 5.659 15.581 4.804 1.00 0.00 C ATOM 793 C CYS A 48 6.431 16.069 6.049 1.00 0.00 C ATOM 794 O CYS A 48 7.018 15.260 6.784 1.00 0.00 O ATOM 795 CB CYS A 48 4.799 14.343 5.140 1.00 0.00 C ATOM 796 SG CYS A 48 3.939 13.645 3.719 1.00 0.00 S ATOM 0 H CYS A 48 6.993 14.305 3.817 1.00 0.00 H new ATOM 0 HA CYS A 48 5.004 16.389 4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.438 13.577 5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.065 14.617 5.898 1.00 0.00 H new ATOM 0 HG CYS A 48 3.246 12.611 4.096 1.00 0.00 H new ATOM 802 N GLU A 49 6.431 17.397 6.259 1.00 0.00 N ATOM 803 CA GLU A 49 7.134 18.062 7.382 1.00 0.00 C ATOM 804 C GLU A 49 6.431 17.812 8.743 1.00 0.00 C ATOM 805 O GLU A 49 7.001 18.100 9.798 1.00 0.00 O ATOM 806 CB GLU A 49 7.267 19.585 7.093 1.00 0.00 C ATOM 807 CG GLU A 49 8.182 20.356 8.070 1.00 0.00 C ATOM 808 CD GLU A 49 8.371 21.833 7.690 1.00 0.00 C ATOM 809 OE1 GLU A 49 9.282 22.145 6.887 1.00 0.00 O ATOM 810 OE2 GLU A 49 7.608 22.692 8.192 1.00 0.00 O ATOM 0 H GLU A 49 5.939 18.050 5.650 1.00 0.00 H new ATOM 0 HA GLU A 49 8.130 17.625 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.649 19.716 6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.274 20.033 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.761 20.297 9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.157 19.869 8.104 1.00 0.00 H new ATOM 817 N GLU A 50 5.193 17.278 8.693 1.00 0.00 N ATOM 818 CA GLU A 50 4.388 16.920 9.886 1.00 0.00 C ATOM 819 C GLU A 50 5.197 16.067 10.905 1.00 0.00 C ATOM 820 O GLU A 50 5.170 16.340 12.113 1.00 0.00 O ATOM 821 CB GLU A 50 3.096 16.182 9.430 1.00 0.00 C ATOM 822 CG GLU A 50 3.354 14.964 8.530 1.00 0.00 C ATOM 823 CD GLU A 50 2.078 14.254 8.056 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.557 13.390 8.789 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.589 14.557 6.947 1.00 0.00 O ATOM 0 H GLU A 50 4.716 17.080 7.814 1.00 0.00 H new ATOM 0 HA GLU A 50 4.115 17.838 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.545 15.858 10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.457 16.886 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.924 15.284 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.974 14.250 9.072 1.00 0.00 H new ATOM 832 N PHE A 51 5.956 15.077 10.389 1.00 0.00 N ATOM 833 CA PHE A 51 6.814 14.195 11.212 1.00 0.00 C ATOM 834 C PHE A 51 7.965 14.987 11.858 1.00 0.00 C ATOM 835 O PHE A 51 8.271 14.798 13.035 1.00 0.00 O ATOM 836 CB PHE A 51 7.370 13.016 10.367 1.00 0.00 C ATOM 837 CG PHE A 51 6.302 12.017 9.940 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.537 12.227 8.802 1.00 0.00 C ATOM 839 CD2 PHE A 51 6.043 10.883 10.702 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.555 11.331 8.434 1.00 0.00 C ATOM 841 CE2 PHE A 51 5.061 9.991 10.338 1.00 0.00 C ATOM 842 CZ PHE A 51 4.314 10.218 9.207 1.00 0.00 C ATOM 0 H PHE A 51 5.992 14.866 9.392 1.00 0.00 H new ATOM 0 HA PHE A 51 6.197 13.783 12.010 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.859 13.415 9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.134 12.495 10.944 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.713 13.104 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.623 10.699 11.595 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.975 11.503 7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.877 9.114 10.940 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.537 9.523 8.925 1.00 0.00 H new ATOM 852 N ILE A 52 8.561 15.918 11.088 1.00 0.00 N ATOM 853 CA ILE A 52 9.636 16.806 11.588 1.00 0.00 C ATOM 854 C ILE A 52 9.079 17.684 12.731 1.00 0.00 C ATOM 855 O ILE A 52 9.744 17.893 13.755 1.00 0.00 O ATOM 856 CB ILE A 52 10.259 17.706 10.436 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.035 16.840 9.369 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.180 18.821 11.012 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.176 15.985 8.443 1.00 0.00 C ATOM 0 H ILE A 52 8.316 16.077 10.111 1.00 0.00 H new ATOM 0 HA ILE A 52 10.446 16.182 11.965 1.00 0.00 H new ATOM 0 HB ILE A 52 9.423 18.188 9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.637 17.511 8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.727 16.184 9.898 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.587 19.415 10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.601 19.464 11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 52 11.997 18.365 11.571 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.819 15.436 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.593 15.280 9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.502 16.627 7.876 1.00 0.00 H new ATOM 871 N ASP A 53 7.808 18.091 12.581 1.00 0.00 N ATOM 872 CA ASP A 53 7.125 18.951 13.554 1.00 0.00 C ATOM 873 C ASP A 53 6.904 18.172 14.861 1.00 0.00 C ATOM 874 O ASP A 53 7.185 18.690 15.955 1.00 0.00 O ATOM 875 CB ASP A 53 5.781 19.473 12.975 1.00 0.00 C ATOM 876 CG ASP A 53 5.033 20.422 13.932 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.479 21.580 14.097 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.008 20.015 14.532 1.00 0.00 O ATOM 0 H ASP A 53 7.228 17.832 11.783 1.00 0.00 H new ATOM 0 HA ASP A 53 7.748 19.819 13.767 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.975 19.993 12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.139 18.623 12.742 1.00 0.00 H new ATOM 883 N GLU A 54 6.512 16.868 14.733 1.00 0.00 N ATOM 884 CA GLU A 54 6.237 16.016 15.912 1.00 0.00 C ATOM 885 C GLU A 54 7.566 15.714 16.601 1.00 0.00 C ATOM 886 O GLU A 54 7.611 15.549 17.822 1.00 0.00 O ATOM 887 CB GLU A 54 5.477 14.688 15.569 1.00 0.00 C ATOM 888 CG GLU A 54 6.365 13.497 15.148 1.00 0.00 C ATOM 889 CD GLU A 54 5.588 12.202 14.894 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.211 11.524 15.875 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.358 11.854 13.723 1.00 0.00 O ATOM 0 H GLU A 54 6.384 16.399 13.837 1.00 0.00 H new ATOM 0 HA GLU A 54 5.567 16.566 16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.892 14.391 16.439 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.771 14.893 14.765 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.910 13.765 14.243 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.107 13.317 15.926 1.00 0.00 H new ATOM 898 N PHE A 55 8.653 15.704 15.790 1.00 0.00 N ATOM 899 CA PHE A 55 10.007 15.474 16.278 1.00 0.00 C ATOM 900 C PHE A 55 10.434 16.646 17.172 1.00 0.00 C ATOM 901 O PHE A 55 11.007 16.436 18.239 1.00 0.00 O ATOM 902 CB PHE A 55 10.999 15.259 15.107 1.00 0.00 C ATOM 903 CG PHE A 55 12.452 15.229 15.554 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.902 14.239 16.420 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.354 16.214 15.151 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.196 14.234 16.866 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.657 16.199 15.596 1.00 0.00 C ATOM 908 CZ PHE A 55 15.075 15.207 16.456 1.00 0.00 C ATOM 0 H PHE A 55 8.600 15.856 14.783 1.00 0.00 H new ATOM 0 HA PHE A 55 10.019 14.560 16.871 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.760 14.322 14.604 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.867 16.056 14.375 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.223 13.465 16.745 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.027 16.997 14.483 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.528 13.461 17.544 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.349 16.962 15.272 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.096 15.194 16.809 1.00 0.00 H new ATOM 918 N ASN A 56 10.070 17.870 16.756 1.00 0.00 N ATOM 919 CA ASN A 56 10.373 19.098 17.519 1.00 0.00 C ATOM 920 C ASN A 56 9.552 19.090 18.835 1.00 0.00 C ATOM 921 O ASN A 56 9.953 19.687 19.848 1.00 0.00 O ATOM 922 CB ASN A 56 10.073 20.340 16.629 1.00 0.00 C ATOM 923 CG ASN A 56 10.620 21.678 17.159 1.00 0.00 C ATOM 924 OD1 ASN A 56 10.656 21.940 18.362 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.077 22.529 16.250 1.00 0.00 N ATOM 0 H ASN A 56 9.561 18.039 15.888 1.00 0.00 H new ATOM 0 HA ASN A 56 11.427 19.142 17.792 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.489 20.164 15.637 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.993 20.429 16.511 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.470 23.424 16.541 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.036 22.288 15.260 1.00 0.00 H new ATOM 932 N GLY A 57 8.430 18.343 18.811 1.00 0.00 N ATOM 933 CA GLY A 57 7.596 18.131 19.987 1.00 0.00 C ATOM 934 C GLY A 57 8.127 17.044 20.931 1.00 0.00 C ATOM 935 O GLY A 57 8.017 17.196 22.150 1.00 0.00 O ATOM 0 H GLY A 57 8.086 17.875 17.972 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.513 19.069 20.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.590 17.861 19.665 1.00 0.00 H new ATOM 939 N LEU A 58 8.712 15.951 20.381 1.00 0.00 N ATOM 940 CA LEU A 58 9.066 14.746 21.184 1.00 0.00 C ATOM 941 C LEU A 58 10.515 14.808 21.708 1.00 0.00 C ATOM 942 O LEU A 58 10.813 14.262 22.772 1.00 0.00 O ATOM 943 CB LEU A 58 8.798 13.429 20.364 1.00 0.00 C ATOM 944 CG LEU A 58 9.670 13.155 19.075 1.00 0.00 C ATOM 945 CD1 LEU A 58 11.013 12.441 19.375 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.870 12.379 17.998 1.00 0.00 C ATOM 0 H LEU A 58 8.949 15.876 19.392 1.00 0.00 H new ATOM 0 HA LEU A 58 8.418 14.731 22.060 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.931 12.584 21.040 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.751 13.434 20.061 1.00 0.00 H new ATOM 0 HG LEU A 58 9.922 14.140 18.682 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.558 12.286 18.444 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.610 13.057 20.047 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.816 11.478 19.845 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.503 12.209 17.127 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.548 11.420 18.405 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.996 12.961 17.704 1.00 0.00 H new ATOM 958 N HIS A 59 11.401 15.477 20.947 1.00 0.00 N ATOM 959 CA HIS A 59 12.854 15.524 21.240 1.00 0.00 C ATOM 960 C HIS A 59 13.121 16.432 22.452 1.00 0.00 C ATOM 961 O HIS A 59 14.009 16.167 23.269 1.00 0.00 O ATOM 962 CB HIS A 59 13.625 16.022 19.991 1.00 0.00 C ATOM 963 CG HIS A 59 15.111 15.761 20.015 1.00 0.00 C ATOM 964 ND1 HIS A 59 16.050 16.704 19.651 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.810 14.631 20.284 1.00 0.00 C ATOM 966 CE1 HIS A 59 17.253 16.165 19.692 1.00 0.00 C ATOM 967 NE2 HIS A 59 17.136 14.909 20.072 1.00 0.00 N ATOM 0 H HIS A 59 11.135 16.000 20.113 1.00 0.00 H new ATOM 0 HA HIS A 59 13.206 14.522 21.485 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.202 15.545 19.107 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.461 17.094 19.885 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.398 13.686 20.606 1.00 0.00 H new ATOM 0 HE1 HIS A 59 18.178 16.669 19.454 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.906 14.251 20.189 1.00 0.00 H new ATOM 976 N MET A 60 12.326 17.503 22.539 1.00 0.00 N ATOM 977 CA MET A 60 12.301 18.420 23.680 1.00 0.00 C ATOM 978 C MET A 60 10.834 18.807 23.934 1.00 0.00 C ATOM 979 O MET A 60 10.292 19.710 23.282 1.00 0.00 O ATOM 980 CB MET A 60 13.198 19.660 23.405 1.00 0.00 C ATOM 981 CG MET A 60 13.303 20.653 24.573 1.00 0.00 C ATOM 982 SD MET A 60 14.413 22.042 24.225 1.00 0.00 S ATOM 983 CE MET A 60 15.996 21.216 24.009 1.00 0.00 C ATOM 0 H MET A 60 11.669 17.761 21.803 1.00 0.00 H new ATOM 0 HA MET A 60 12.707 17.943 24.572 1.00 0.00 H new ATOM 0 HB2 MET A 60 14.200 19.316 23.148 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.809 20.186 22.533 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.310 21.038 24.805 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.656 20.126 25.460 1.00 0.00 H new ATOM 0 HE1 MET A 60 16.801 21.946 24.092 1.00 0.00 H new ATOM 0 HE2 MET A 60 16.117 20.454 24.779 1.00 0.00 H new ATOM 0 HE3 MET A 60 16.031 20.747 23.026 1.00 0.00 H new ATOM 993 N SER A 61 10.183 18.051 24.836 1.00 0.00 N ATOM 994 CA SER A 61 8.761 18.215 25.148 1.00 0.00 C ATOM 995 C SER A 61 8.561 19.406 26.106 1.00 0.00 C ATOM 996 O SER A 61 8.906 19.333 27.295 1.00 0.00 O ATOM 997 CB SER A 61 8.195 16.904 25.747 1.00 0.00 C ATOM 998 OG SER A 61 6.783 16.970 25.925 1.00 0.00 O ATOM 0 H SER A 61 10.635 17.307 25.369 1.00 0.00 H new ATOM 0 HA SER A 61 8.213 18.429 24.231 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.440 16.069 25.091 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.673 16.706 26.706 1.00 0.00 H new ATOM 0 HG SER A 61 6.461 16.125 26.303 1.00 0.00 H new ATOM 1004 N LYS A 62 8.048 20.508 25.548 1.00 0.00 N ATOM 1005 CA LYS A 62 7.729 21.739 26.279 1.00 0.00 C ATOM 1006 C LYS A 62 6.211 21.944 26.221 1.00 0.00 C ATOM 1007 O LYS A 62 5.653 22.125 25.135 1.00 0.00 O ATOM 1008 CB LYS A 62 8.523 22.936 25.648 1.00 0.00 C ATOM 1009 CG LYS A 62 8.279 24.351 26.262 1.00 0.00 C ATOM 1010 CD LYS A 62 7.094 25.117 25.616 1.00 0.00 C ATOM 1011 CE LYS A 62 6.889 26.514 26.219 1.00 0.00 C ATOM 1012 NZ LYS A 62 6.554 26.465 27.664 1.00 0.00 N ATOM 0 H LYS A 62 7.838 20.570 24.552 1.00 0.00 H new ATOM 0 HA LYS A 62 8.026 21.675 27.326 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.587 22.713 25.723 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.281 22.981 24.586 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.092 24.246 27.331 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.186 24.945 26.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.269 25.211 24.544 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.181 24.535 25.740 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.795 27.103 26.079 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.090 27.025 25.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.165 27.382 27.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.849 25.719 27.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.413 26.259 28.213 1.00 0.00 H new ATOM 1026 N ASP A 63 5.552 21.873 27.387 1.00 0.00 N ATOM 1027 CA ASP A 63 4.099 22.111 27.523 1.00 0.00 C ATOM 1028 C ASP A 63 3.799 23.622 27.441 1.00 0.00 C ATOM 1029 O ASP A 63 4.640 24.431 27.840 1.00 0.00 O ATOM 1030 CB ASP A 63 3.601 21.511 28.866 1.00 0.00 C ATOM 1031 CG ASP A 63 2.077 21.600 29.054 1.00 0.00 C ATOM 1032 OD1 ASP A 63 1.343 20.866 28.358 1.00 0.00 O ATOM 1033 OD2 ASP A 63 1.608 22.391 29.896 1.00 0.00 O ATOM 0 H ASP A 63 6.011 21.648 28.270 1.00 0.00 H new ATOM 0 HA ASP A 63 3.569 21.621 26.707 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.905 20.466 28.922 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.091 22.030 29.690 1.00 0.00 H new ATOM 1038 N LYS A 64 2.586 23.965 26.948 1.00 0.00 N ATOM 1039 CA LYS A 64 2.174 25.348 26.586 1.00 0.00 C ATOM 1040 C LYS A 64 2.498 26.395 27.703 1.00 0.00 C ATOM 1041 O LYS A 64 1.734 26.495 28.680 1.00 0.00 O ATOM 1042 CB LYS A 64 0.652 25.365 26.251 1.00 0.00 C ATOM 1043 CG LYS A 64 0.221 24.446 25.085 1.00 0.00 C ATOM 1044 CD LYS A 64 -1.312 24.459 24.839 1.00 0.00 C ATOM 1045 CE LYS A 64 -1.863 25.856 24.484 1.00 0.00 C ATOM 1046 NZ LYS A 64 -1.247 26.413 23.254 1.00 0.00 N ATOM 1047 OXT LYS A 64 3.532 27.098 27.596 1.00 0.00 O ATOM 0 H LYS A 64 1.850 23.278 26.786 1.00 0.00 H new ATOM 0 HA LYS A 64 2.754 25.642 25.712 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.097 25.076 27.144 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.361 26.388 26.012 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.732 24.759 24.175 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.541 23.426 25.296 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.549 23.767 24.031 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.819 24.092 25.732 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.943 25.794 24.350 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.684 26.536 25.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.674 27.337 23.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.224 26.530 23.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.410 25.763 22.459 1.00 0.00 H new TER 1061 LYS A 64