USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 4 LYS NZ :NH3+ -159:sc= -0.304 (180deg=-1.75!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -5.76! USER MOD Single : A 10 MET CE :methyl -133:sc= -21.8! (180deg=-26.7!) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0551) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -152:sc= 0.497! USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= -0.0489 (180deg=-0.051) USER MOD Single : A 23 THR OG1 : rot 97:sc= 0.0288 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.221 (180deg=-1.08) USER MOD Single : A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-8.5!) USER MOD Single : A 37 SER OG : rot 69:sc= -4.2! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -106:sc= 0.897 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -94:sc= -4.51! USER MOD Single : A 67 GLN : amide:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 68 MET CE :methyl -114:sc= -14.8! (180deg=-20.2!) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 3 2.519 0.509 -9.045 1.00 62.13 N ATOM 17 CA LEU A 3 3.226 1.137 -10.198 1.00 1.34 C ATOM 18 C LEU A 3 2.838 2.595 -10.335 1.00 35.11 C ATOM 19 O LEU A 3 1.679 2.923 -10.497 1.00 22.31 O ATOM 20 CB LEU A 3 2.724 0.403 -11.443 1.00 35.35 C ATOM 21 CG LEU A 3 3.589 0.727 -12.658 1.00 5.05 C ATOM 22 CD1 LEU A 3 3.463 2.206 -12.989 1.00 2.33 C ATOM 23 CD2 LEU A 3 5.044 0.413 -12.372 1.00 44.52 C ATOM 0 HA LEU A 3 4.306 1.074 -10.064 1.00 1.34 H new ATOM 0 HB2 LEU A 3 2.732 -0.672 -11.263 1.00 35.35 H new ATOM 0 HB3 LEU A 3 1.690 0.685 -11.643 1.00 35.35 H new ATOM 0 HG LEU A 3 3.249 0.121 -13.498 1.00 5.05 H new ATOM 0 HD11 LEU A 3 4.080 2.439 -13.857 1.00 2.33 H new ATOM 0 HD12 LEU A 3 2.422 2.442 -13.211 1.00 2.33 H new ATOM 0 HD13 LEU A 3 3.796 2.799 -12.137 1.00 2.33 H new ATOM 0 HD21 LEU A 3 5.647 0.650 -13.249 1.00 44.52 H new ATOM 0 HD22 LEU A 3 5.385 1.009 -11.525 1.00 44.52 H new ATOM 0 HD23 LEU A 3 5.148 -0.646 -12.136 1.00 44.52 H new ATOM 35 N LYS A 4 3.791 3.468 -10.381 1.00 22.25 N ATOM 36 CA LYS A 4 3.444 4.858 -10.634 1.00 0.45 C ATOM 37 C LYS A 4 3.287 4.954 -12.124 1.00 61.14 C ATOM 38 O LYS A 4 4.221 4.789 -12.852 1.00 50.14 O ATOM 39 CB LYS A 4 4.611 5.694 -10.150 1.00 34.33 C ATOM 40 CG LYS A 4 4.478 7.064 -10.769 1.00 72.51 C ATOM 41 CD LYS A 4 5.217 8.110 -9.935 1.00 14.23 C ATOM 42 CE LYS A 4 4.679 8.106 -8.506 1.00 33.10 C ATOM 43 NZ LYS A 4 3.195 8.113 -8.649 1.00 14.31 N ATOM 0 H LYS A 4 4.784 3.271 -10.254 1.00 22.25 H new ATOM 0 HA LYS A 4 2.537 5.199 -10.134 1.00 0.45 H new ATOM 0 HB2 LYS A 4 4.607 5.763 -9.062 1.00 34.33 H new ATOM 0 HB3 LYS A 4 5.557 5.234 -10.437 1.00 34.33 H new ATOM 0 HG2 LYS A 4 4.879 7.051 -11.782 1.00 72.51 H new ATOM 0 HG3 LYS A 4 3.424 7.332 -10.847 1.00 72.51 H new ATOM 0 HD2 LYS A 4 6.286 7.897 -9.932 1.00 14.23 H new ATOM 0 HD3 LYS A 4 5.090 9.098 -10.378 1.00 14.23 H new ATOM 0 HE2 LYS A 4 5.018 7.226 -7.960 1.00 33.10 H new ATOM 0 HE3 LYS A 4 5.026 8.978 -7.952 1.00 33.10 H new ATOM 0 HZ1 LYS A 4 2.763 8.462 -7.770 1.00 14.31 H new ATOM 0 HZ2 LYS A 4 2.925 8.734 -9.438 1.00 14.31 H new ATOM 0 HZ3 LYS A 4 2.860 7.147 -8.839 1.00 14.31 H new ATOM 57 N ASP A 5 2.115 5.165 -12.585 1.00 41.41 N ATOM 58 CA ASP A 5 1.915 5.187 -14.052 1.00 2.03 C ATOM 59 C ASP A 5 2.709 6.332 -14.684 1.00 13.54 C ATOM 60 O ASP A 5 2.167 7.270 -15.213 1.00 2.13 O ATOM 61 CB ASP A 5 0.407 5.362 -14.224 1.00 52.11 C ATOM 62 CG ASP A 5 -0.014 6.748 -13.732 1.00 54.33 C ATOM 63 OD1 ASP A 5 0.735 7.338 -12.971 1.00 21.43 O ATOM 64 OD2 ASP A 5 -1.081 7.195 -14.122 1.00 31.33 O ATOM 0 H ASP A 5 1.279 5.324 -12.022 1.00 41.41 H new ATOM 0 HA ASP A 5 2.270 4.283 -14.548 1.00 2.03 H new ATOM 0 HB2 ASP A 5 0.135 5.240 -15.272 1.00 52.11 H new ATOM 0 HB3 ASP A 5 -0.124 4.591 -13.665 1.00 52.11 H new ATOM 69 N TYR A 6 4.016 6.240 -14.634 1.00 33.50 N ATOM 70 CA TYR A 6 4.887 7.284 -15.238 1.00 64.51 C ATOM 71 C TYR A 6 4.408 7.604 -16.575 1.00 10.12 C ATOM 72 O TYR A 6 4.068 8.714 -16.912 1.00 2.33 O ATOM 73 CB TYR A 6 6.208 6.638 -15.429 1.00 1.13 C ATOM 74 CG TYR A 6 6.846 6.492 -14.123 1.00 44.25 C ATOM 75 CD1 TYR A 6 6.747 7.464 -13.137 1.00 4.32 C ATOM 76 CD2 TYR A 6 7.528 5.356 -13.910 1.00 54.41 C ATOM 77 CE1 TYR A 6 7.370 7.262 -11.933 1.00 22.22 C ATOM 78 CE2 TYR A 6 8.143 5.116 -12.718 1.00 42.32 C ATOM 79 CZ TYR A 6 8.082 6.076 -11.702 1.00 62.34 C ATOM 80 OH TYR A 6 8.700 5.853 -10.488 1.00 23.21 O ATOM 0 H TYR A 6 4.519 5.471 -14.192 1.00 33.50 H new ATOM 0 HA TYR A 6 4.910 8.177 -14.614 1.00 64.51 H new ATOM 0 HB2 TYR A 6 6.088 5.664 -15.903 1.00 1.13 H new ATOM 0 HB3 TYR A 6 6.832 7.240 -16.090 1.00 1.13 H new ATOM 0 HD1 TYR A 6 6.186 8.369 -13.316 1.00 4.32 H new ATOM 0 HD2 TYR A 6 7.590 4.619 -14.697 1.00 54.41 H new ATOM 0 HE1 TYR A 6 7.313 8.016 -11.162 1.00 22.22 H new ATOM 0 HE2 TYR A 6 8.675 4.190 -12.558 1.00 42.32 H new ATOM 0 HH TYR A 6 9.146 4.980 -10.503 1.00 23.21 H new ATOM 90 N TYR A 7 4.411 6.606 -17.363 1.00 44.33 N ATOM 91 CA TYR A 7 3.994 6.782 -18.716 1.00 0.11 C ATOM 92 C TYR A 7 2.774 7.611 -18.746 1.00 2.23 C ATOM 93 O TYR A 7 2.531 8.411 -19.621 1.00 0.21 O ATOM 94 CB TYR A 7 3.714 5.383 -19.208 1.00 12.21 C ATOM 95 CG TYR A 7 5.005 4.669 -19.325 1.00 33.34 C ATOM 96 CD1 TYR A 7 6.157 5.381 -19.632 1.00 40.43 C ATOM 97 CD2 TYR A 7 5.039 3.301 -19.169 1.00 75.05 C ATOM 98 CE1 TYR A 7 7.358 4.730 -19.779 1.00 21.41 C ATOM 99 CE2 TYR A 7 6.246 2.627 -19.331 1.00 21.43 C ATOM 100 CZ TYR A 7 7.412 3.341 -19.637 1.00 2.11 C ATOM 101 OH TYR A 7 8.602 2.676 -19.799 1.00 63.44 O ATOM 0 H TYR A 7 4.693 5.659 -17.110 1.00 44.33 H new ATOM 0 HA TYR A 7 4.736 7.285 -19.336 1.00 0.11 H new ATOM 0 HB2 TYR A 7 3.052 4.862 -18.516 1.00 12.21 H new ATOM 0 HB3 TYR A 7 3.207 5.413 -20.172 1.00 12.21 H new ATOM 0 HD1 TYR A 7 6.109 6.453 -19.756 1.00 40.43 H new ATOM 0 HD2 TYR A 7 4.139 2.757 -18.924 1.00 75.05 H new ATOM 0 HE1 TYR A 7 8.255 5.288 -20.003 1.00 21.41 H new ATOM 0 HE2 TYR A 7 6.284 1.553 -19.221 1.00 21.43 H new ATOM 0 HH TYR A 7 8.461 1.716 -19.664 1.00 63.44 H new ATOM 111 N ALA A 8 2.035 7.432 -17.757 1.00 4.32 N ATOM 112 CA ALA A 8 0.831 8.200 -17.638 1.00 11.34 C ATOM 113 C ALA A 8 1.224 9.575 -17.154 1.00 52.34 C ATOM 114 O ALA A 8 0.924 10.592 -17.746 1.00 60.05 O ATOM 115 CB ALA A 8 0.104 7.460 -16.545 1.00 35.42 C ATOM 0 H ALA A 8 2.212 6.770 -17.002 1.00 4.32 H new ATOM 0 HA ALA A 8 0.245 8.310 -18.551 1.00 11.34 H new ATOM 0 HB1 ALA A 8 -0.851 7.948 -16.348 1.00 35.42 H new ATOM 0 HB2 ALA A 8 -0.072 6.431 -16.857 1.00 35.42 H new ATOM 0 HB3 ALA A 8 0.708 7.465 -15.638 1.00 35.42 H new ATOM 121 N ILE A 9 1.947 9.574 -16.075 1.00 13.55 N ATOM 122 CA ILE A 9 2.454 10.825 -15.496 1.00 21.43 C ATOM 123 C ILE A 9 2.979 11.682 -16.618 1.00 71.44 C ATOM 124 O ILE A 9 2.637 12.834 -16.796 1.00 64.43 O ATOM 125 CB ILE A 9 3.626 10.361 -14.638 1.00 12.35 C ATOM 126 CG1 ILE A 9 3.147 10.100 -13.240 1.00 53.34 C ATOM 127 CG2 ILE A 9 4.718 11.400 -14.605 1.00 72.50 C ATOM 128 CD1 ILE A 9 3.564 8.697 -12.900 1.00 61.24 C ATOM 0 H ILE A 9 2.210 8.732 -15.563 1.00 13.55 H new ATOM 0 HA ILE A 9 1.708 11.392 -14.939 1.00 21.43 H new ATOM 0 HB ILE A 9 4.031 9.448 -15.074 1.00 12.35 H new ATOM 0 HG12 ILE A 9 3.583 10.814 -12.541 1.00 53.34 H new ATOM 0 HG13 ILE A 9 2.065 10.210 -13.174 1.00 53.34 H new ATOM 0 HG21 ILE A 9 5.541 11.043 -13.986 1.00 72.50 H new ATOM 0 HG22 ILE A 9 5.078 11.582 -15.618 1.00 72.50 H new ATOM 0 HG23 ILE A 9 4.326 12.327 -14.187 1.00 72.50 H new ATOM 0 HD11 ILE A 9 3.238 8.456 -11.888 1.00 61.24 H new ATOM 0 HD12 ILE A 9 3.108 8.001 -13.604 1.00 61.24 H new ATOM 0 HD13 ILE A 9 4.649 8.615 -12.961 1.00 61.24 H new ATOM 140 N MET A 10 3.862 11.081 -17.344 1.00 73.44 N ATOM 141 CA MET A 10 4.526 11.752 -18.451 1.00 70.11 C ATOM 142 C MET A 10 3.665 11.751 -19.707 1.00 75.30 C ATOM 143 O MET A 10 4.111 12.051 -20.791 1.00 64.31 O ATOM 144 CB MET A 10 5.813 11.000 -18.555 1.00 62.40 C ATOM 145 CG MET A 10 5.625 9.629 -19.165 1.00 45.44 C ATOM 146 SD MET A 10 7.073 9.261 -20.168 1.00 72.10 S ATOM 147 CE MET A 10 8.363 10.023 -19.133 1.00 4.42 C ATOM 0 H MET A 10 4.154 10.114 -17.201 1.00 73.44 H new ATOM 0 HA MET A 10 4.703 12.817 -18.304 1.00 70.11 H new ATOM 0 HB2 MET A 10 6.518 11.571 -19.159 1.00 62.40 H new ATOM 0 HB3 MET A 10 6.253 10.897 -17.563 1.00 62.40 H new ATOM 0 HG2 MET A 10 5.502 8.878 -18.384 1.00 45.44 H new ATOM 0 HG3 MET A 10 4.723 9.604 -19.776 1.00 45.44 H new ATOM 0 HE1 MET A 10 9.019 10.630 -19.757 1.00 4.42 H new ATOM 0 HE2 MET A 10 7.897 10.654 -18.376 1.00 4.42 H new ATOM 0 HE3 MET A 10 8.946 9.242 -18.645 1.00 4.42 H new ATOM 157 N GLY A 11 2.416 11.438 -19.542 1.00 12.33 N ATOM 158 CA GLY A 11 1.469 11.445 -20.700 1.00 3.01 C ATOM 159 C GLY A 11 2.128 10.709 -21.839 1.00 20.03 C ATOM 160 O GLY A 11 2.695 11.293 -22.742 1.00 32.43 O ATOM 0 H GLY A 11 2.000 11.174 -18.649 1.00 12.33 H new ATOM 0 HA2 GLY A 11 0.529 10.965 -20.428 1.00 3.01 H new ATOM 0 HA3 GLY A 11 1.231 12.468 -20.993 1.00 3.01 H new ATOM 164 N VAL A 12 2.129 9.427 -21.749 1.00 33.55 N ATOM 165 CA VAL A 12 2.822 8.618 -22.741 1.00 34.32 C ATOM 166 C VAL A 12 2.111 7.296 -22.947 1.00 25.32 C ATOM 167 O VAL A 12 0.936 7.124 -22.688 1.00 2.25 O ATOM 168 CB VAL A 12 4.149 8.424 -22.022 1.00 64.23 C ATOM 169 CG1 VAL A 12 4.250 7.121 -21.317 1.00 21.11 C ATOM 170 CG2 VAL A 12 5.306 8.465 -22.894 1.00 23.30 C ATOM 0 H VAL A 12 1.666 8.899 -21.010 1.00 33.55 H new ATOM 0 HA VAL A 12 2.894 9.053 -23.738 1.00 34.32 H new ATOM 0 HB VAL A 12 4.156 9.263 -21.326 1.00 64.23 H new ATOM 0 HG11 VAL A 12 5.220 7.047 -20.826 1.00 21.11 H new ATOM 0 HG12 VAL A 12 3.459 7.049 -20.571 1.00 21.11 H new ATOM 0 HG13 VAL A 12 4.145 6.309 -22.036 1.00 21.11 H new ATOM 0 HG21 VAL A 12 6.211 8.319 -22.305 1.00 23.30 H new ATOM 0 HG22 VAL A 12 5.227 7.674 -23.640 1.00 23.30 H new ATOM 0 HG23 VAL A 12 5.351 9.433 -23.394 1.00 23.30 H new ATOM 180 N LYS A 13 2.870 6.374 -23.392 1.00 21.50 N ATOM 181 CA LYS A 13 2.378 5.004 -23.636 1.00 73.14 C ATOM 182 C LYS A 13 2.938 4.068 -22.566 1.00 72.24 C ATOM 183 O LYS A 13 4.040 4.265 -22.093 1.00 4.51 O ATOM 184 CB LYS A 13 2.994 4.690 -24.971 1.00 52.33 C ATOM 185 CG LYS A 13 2.100 5.224 -26.091 1.00 61.42 C ATOM 186 CD LYS A 13 2.741 6.477 -26.690 1.00 74.34 C ATOM 187 CE LYS A 13 1.964 7.717 -26.248 1.00 11.31 C ATOM 188 NZ LYS A 13 2.567 8.841 -27.016 1.00 42.32 N ATOM 0 H LYS A 13 3.857 6.509 -23.610 1.00 21.50 H new ATOM 0 HA LYS A 13 1.293 4.900 -23.614 1.00 73.14 H new ATOM 0 HB2 LYS A 13 3.985 5.138 -25.039 1.00 52.33 H new ATOM 0 HB3 LYS A 13 3.123 3.613 -25.078 1.00 52.33 H new ATOM 0 HG2 LYS A 13 1.968 4.464 -26.861 1.00 61.42 H new ATOM 0 HG3 LYS A 13 1.109 5.458 -25.702 1.00 61.42 H new ATOM 0 HD2 LYS A 13 3.780 6.554 -26.369 1.00 74.34 H new ATOM 0 HD3 LYS A 13 2.747 6.409 -27.778 1.00 74.34 H new ATOM 0 HE2 LYS A 13 0.901 7.615 -26.466 1.00 11.31 H new ATOM 0 HE3 LYS A 13 2.055 7.878 -25.174 1.00 11.31 H new ATOM 0 HZ1 LYS A 13 2.359 9.740 -26.536 1.00 42.32 H new ATOM 0 HZ2 LYS A 13 3.597 8.709 -27.073 1.00 42.32 H new ATOM 0 HZ3 LYS A 13 2.167 8.860 -27.976 1.00 42.32 H new ATOM 202 N PRO A 14 2.174 3.075 -22.219 1.00 14.22 N ATOM 203 CA PRO A 14 2.631 2.110 -21.201 1.00 43.24 C ATOM 204 C PRO A 14 3.621 1.112 -21.815 1.00 72.11 C ATOM 205 O PRO A 14 4.331 0.417 -21.116 1.00 24.03 O ATOM 206 CB PRO A 14 1.352 1.413 -20.769 1.00 64.03 C ATOM 207 CG PRO A 14 0.417 1.545 -21.935 1.00 43.22 C ATOM 208 CD PRO A 14 0.835 2.765 -22.723 1.00 23.50 C ATOM 0 HA PRO A 14 3.154 2.580 -20.368 1.00 43.24 H new ATOM 0 HB2 PRO A 14 1.536 0.366 -20.529 1.00 64.03 H new ATOM 0 HB3 PRO A 14 0.934 1.876 -19.875 1.00 64.03 H new ATOM 0 HG2 PRO A 14 0.457 0.653 -22.561 1.00 43.22 H new ATOM 0 HG3 PRO A 14 -0.612 1.646 -21.590 1.00 43.22 H new ATOM 0 HD2 PRO A 14 0.849 2.562 -23.794 1.00 23.50 H new ATOM 0 HD3 PRO A 14 0.148 3.596 -22.565 1.00 23.50 H new ATOM 216 N THR A 15 3.676 1.036 -23.119 1.00 2.14 N ATOM 217 CA THR A 15 4.622 0.083 -23.772 1.00 13.14 C ATOM 218 C THR A 15 5.401 0.788 -24.882 1.00 41.33 C ATOM 219 O THR A 15 5.553 0.278 -25.974 1.00 31.25 O ATOM 220 CB THR A 15 3.736 -1.017 -24.348 1.00 51.40 C ATOM 221 OG1 THR A 15 2.987 -0.499 -25.441 1.00 50.42 O ATOM 222 CG2 THR A 15 2.788 -1.506 -23.260 1.00 53.44 C ATOM 0 H THR A 15 3.108 1.591 -23.759 1.00 2.14 H new ATOM 0 HA THR A 15 5.360 -0.313 -23.074 1.00 13.14 H new ATOM 0 HB THR A 15 4.351 -1.845 -24.699 1.00 51.40 H new ATOM 0 HG1 THR A 15 2.419 -1.206 -25.812 1.00 50.42 H new ATOM 0 HG21 THR A 15 2.149 -2.293 -23.661 1.00 53.44 H new ATOM 0 HG22 THR A 15 3.366 -1.898 -22.423 1.00 53.44 H new ATOM 0 HG23 THR A 15 2.170 -0.677 -22.917 1.00 53.44 H new ATOM 230 N ASP A 16 5.894 1.960 -24.607 1.00 72.43 N ATOM 231 CA ASP A 16 6.665 2.707 -25.642 1.00 63.10 C ATOM 232 C ASP A 16 8.157 2.749 -25.288 1.00 65.34 C ATOM 233 O ASP A 16 8.620 2.013 -24.440 1.00 32.02 O ATOM 234 CB ASP A 16 6.045 4.092 -25.673 1.00 61.22 C ATOM 235 CG ASP A 16 4.982 4.103 -26.775 1.00 12.02 C ATOM 236 OD1 ASP A 16 4.226 3.147 -26.842 1.00 14.35 O ATOM 237 OD2 ASP A 16 4.936 5.058 -27.527 1.00 3.21 O ATOM 0 H ASP A 16 5.798 2.436 -23.710 1.00 72.43 H new ATOM 0 HA ASP A 16 6.614 2.232 -26.622 1.00 63.10 H new ATOM 0 HB2 ASP A 16 5.598 4.332 -24.708 1.00 61.22 H new ATOM 0 HB3 ASP A 16 6.806 4.847 -25.869 1.00 61.22 H new ATOM 242 N ASP A 17 8.915 3.592 -25.937 1.00 31.21 N ATOM 243 CA ASP A 17 10.377 3.663 -25.641 1.00 0.15 C ATOM 244 C ASP A 17 10.727 5.056 -25.130 1.00 62.24 C ATOM 245 O ASP A 17 9.855 5.853 -24.848 1.00 53.55 O ATOM 246 CB ASP A 17 11.073 3.387 -26.975 1.00 51.20 C ATOM 247 CG ASP A 17 11.782 2.032 -26.909 1.00 74.32 C ATOM 248 OD1 ASP A 17 11.160 1.081 -26.465 1.00 50.23 O ATOM 249 OD2 ASP A 17 12.935 1.970 -27.303 1.00 31.05 O ATOM 0 H ASP A 17 8.586 4.234 -26.658 1.00 31.21 H new ATOM 0 HA ASP A 17 10.683 2.949 -24.876 1.00 0.15 H new ATOM 0 HB2 ASP A 17 10.344 3.389 -27.785 1.00 51.20 H new ATOM 0 HB3 ASP A 17 11.793 4.176 -27.192 1.00 51.20 H new ATOM 254 N LEU A 18 11.985 5.368 -24.995 1.00 33.24 N ATOM 255 CA LEU A 18 12.330 6.713 -24.487 1.00 73.52 C ATOM 256 C LEU A 18 11.888 7.786 -25.480 1.00 72.54 C ATOM 257 O LEU A 18 11.584 8.899 -25.100 1.00 40.11 O ATOM 258 CB LEU A 18 13.854 6.733 -24.303 1.00 50.13 C ATOM 259 CG LEU A 18 14.264 7.068 -22.847 1.00 74.20 C ATOM 260 CD1 LEU A 18 15.313 8.183 -22.865 1.00 73.02 C ATOM 261 CD2 LEU A 18 13.090 7.578 -22.029 1.00 71.33 C ATOM 0 H LEU A 18 12.773 4.758 -25.212 1.00 33.24 H new ATOM 0 HA LEU A 18 11.823 6.922 -23.545 1.00 73.52 H new ATOM 0 HB2 LEU A 18 14.264 5.762 -24.580 1.00 50.13 H new ATOM 0 HB3 LEU A 18 14.290 7.468 -24.980 1.00 50.13 H new ATOM 0 HG LEU A 18 14.645 6.150 -22.400 1.00 74.20 H new ATOM 0 HD11 LEU A 18 15.606 8.424 -21.843 1.00 73.02 H new ATOM 0 HD12 LEU A 18 16.188 7.851 -23.424 1.00 73.02 H new ATOM 0 HD13 LEU A 18 14.893 9.070 -23.340 1.00 73.02 H new ATOM 0 HD21 LEU A 18 13.422 7.801 -21.015 1.00 71.33 H new ATOM 0 HD22 LEU A 18 12.693 8.484 -22.488 1.00 71.33 H new ATOM 0 HD23 LEU A 18 12.311 6.816 -21.996 1.00 71.33 H new ATOM 273 N LYS A 19 11.835 7.472 -26.745 1.00 33.02 N ATOM 274 CA LYS A 19 11.394 8.502 -27.720 1.00 33.13 C ATOM 275 C LYS A 19 10.001 8.970 -27.314 1.00 50.41 C ATOM 276 O LYS A 19 9.730 10.154 -27.210 1.00 14.03 O ATOM 277 CB LYS A 19 11.351 7.784 -29.070 1.00 13.14 C ATOM 278 CG LYS A 19 12.764 7.359 -29.475 1.00 73.42 C ATOM 279 CD LYS A 19 12.786 7.019 -30.967 1.00 30.24 C ATOM 280 CE LYS A 19 13.140 5.541 -31.153 1.00 53.53 C ATOM 281 NZ LYS A 19 14.610 5.526 -31.395 1.00 71.13 N ATOM 0 H LYS A 19 12.074 6.562 -27.139 1.00 33.02 H new ATOM 0 HA LYS A 19 12.049 9.372 -27.761 1.00 33.13 H new ATOM 0 HB2 LYS A 19 10.702 6.910 -29.007 1.00 13.14 H new ATOM 0 HB3 LYS A 19 10.927 8.442 -29.829 1.00 13.14 H new ATOM 0 HG2 LYS A 19 13.471 8.161 -29.263 1.00 73.42 H new ATOM 0 HG3 LYS A 19 13.077 6.495 -28.889 1.00 73.42 H new ATOM 0 HD2 LYS A 19 11.814 7.229 -31.412 1.00 30.24 H new ATOM 0 HD3 LYS A 19 13.514 7.645 -31.482 1.00 30.24 H new ATOM 0 HE2 LYS A 19 12.879 4.958 -30.270 1.00 53.53 H new ATOM 0 HE3 LYS A 19 12.597 5.107 -31.993 1.00 53.53 H new ATOM 0 HZ1 LYS A 19 14.929 4.546 -31.532 1.00 71.13 H new ATOM 0 HZ2 LYS A 19 14.827 6.083 -32.246 1.00 71.13 H new ATOM 0 HZ3 LYS A 19 15.101 5.939 -30.576 1.00 71.13 H new ATOM 295 N THR A 20 9.132 8.043 -27.026 1.00 34.23 N ATOM 296 CA THR A 20 7.773 8.425 -26.570 1.00 54.04 C ATOM 297 C THR A 20 7.888 9.022 -25.192 1.00 25.04 C ATOM 298 O THR A 20 7.372 10.083 -24.900 1.00 51.21 O ATOM 299 CB THR A 20 6.984 7.121 -26.442 1.00 24.30 C ATOM 300 OG1 THR A 20 6.463 6.740 -27.704 1.00 11.52 O ATOM 301 CG2 THR A 20 5.866 7.308 -25.427 1.00 75.51 C ATOM 0 H THR A 20 9.306 7.040 -27.087 1.00 34.23 H new ATOM 0 HA THR A 20 7.302 9.131 -27.254 1.00 54.04 H new ATOM 0 HB THR A 20 7.644 6.325 -26.096 1.00 24.30 H new ATOM 0 HG1 THR A 20 5.647 6.212 -27.575 1.00 11.52 H new ATOM 0 HG21 THR A 20 5.301 6.381 -25.333 1.00 75.51 H new ATOM 0 HG22 THR A 20 6.293 7.572 -24.460 1.00 75.51 H new ATOM 0 HG23 THR A 20 5.202 8.105 -25.760 1.00 75.51 H new ATOM 309 N ILE A 21 8.513 8.294 -24.320 1.00 65.21 N ATOM 310 CA ILE A 21 8.602 8.761 -22.949 1.00 13.20 C ATOM 311 C ILE A 21 9.086 10.193 -22.887 1.00 15.54 C ATOM 312 O ILE A 21 8.397 11.034 -22.369 1.00 34.22 O ATOM 313 CB ILE A 21 9.566 7.842 -22.286 1.00 74.02 C ATOM 314 CG1 ILE A 21 8.932 6.464 -22.203 1.00 45.22 C ATOM 315 CG2 ILE A 21 9.834 8.376 -20.892 1.00 11.31 C ATOM 316 CD1 ILE A 21 9.965 5.503 -21.667 1.00 31.54 C ATOM 0 H ILE A 21 8.961 7.398 -24.512 1.00 65.21 H new ATOM 0 HA ILE A 21 7.629 8.753 -22.457 1.00 13.20 H new ATOM 0 HB ILE A 21 10.501 7.776 -22.842 1.00 74.02 H new ATOM 0 HG12 ILE A 21 8.058 6.486 -21.551 1.00 45.22 H new ATOM 0 HG13 ILE A 21 8.588 6.143 -23.186 1.00 45.22 H new ATOM 0 HG21 ILE A 21 10.539 7.721 -20.381 1.00 11.31 H new ATOM 0 HG22 ILE A 21 10.255 9.379 -20.961 1.00 11.31 H new ATOM 0 HG23 ILE A 21 8.900 8.413 -20.331 1.00 11.31 H new ATOM 0 HD11 ILE A 21 9.532 4.505 -21.598 1.00 31.54 H new ATOM 0 HD12 ILE A 21 10.824 5.481 -22.338 1.00 31.54 H new ATOM 0 HD13 ILE A 21 10.286 5.828 -20.677 1.00 31.54 H new ATOM 328 N LYS A 22 10.242 10.519 -23.401 1.00 42.23 N ATOM 329 CA LYS A 22 10.620 11.945 -23.294 1.00 73.13 C ATOM 330 C LYS A 22 9.674 12.755 -24.124 1.00 21.22 C ATOM 331 O LYS A 22 9.266 13.807 -23.731 1.00 14.33 O ATOM 332 CB LYS A 22 12.040 12.136 -23.760 1.00 34.41 C ATOM 333 CG LYS A 22 12.648 13.168 -22.819 1.00 30.11 C ATOM 334 CD LYS A 22 14.140 13.310 -23.048 1.00 10.42 C ATOM 335 CE LYS A 22 14.797 13.871 -21.793 1.00 55.43 C ATOM 336 NZ LYS A 22 14.935 15.333 -22.041 1.00 1.24 N ATOM 0 H LYS A 22 10.904 9.896 -23.864 1.00 42.23 H new ATOM 0 HA LYS A 22 10.559 12.273 -22.256 1.00 73.13 H new ATOM 0 HB2 LYS A 22 12.594 11.198 -23.723 1.00 34.41 H new ATOM 0 HB3 LYS A 22 12.070 12.483 -24.793 1.00 34.41 H new ATOM 0 HG2 LYS A 22 12.161 14.132 -22.969 1.00 30.11 H new ATOM 0 HG3 LYS A 22 12.463 12.875 -21.786 1.00 30.11 H new ATOM 0 HD2 LYS A 22 14.574 12.342 -23.296 1.00 10.42 H new ATOM 0 HD3 LYS A 22 14.327 13.970 -23.895 1.00 10.42 H new ATOM 0 HE2 LYS A 22 14.188 13.678 -20.910 1.00 55.43 H new ATOM 0 HE3 LYS A 22 15.768 13.409 -21.617 1.00 55.43 H new ATOM 0 HZ1 LYS A 22 15.396 15.782 -21.224 1.00 1.24 H new ATOM 0 HZ2 LYS A 22 15.512 15.488 -22.892 1.00 1.24 H new ATOM 0 HZ3 LYS A 22 13.993 15.752 -22.180 1.00 1.24 H new ATOM 350 N THR A 23 9.240 12.270 -25.244 1.00 42.44 N ATOM 351 CA THR A 23 8.245 13.071 -25.973 1.00 40.40 C ATOM 352 C THR A 23 7.186 13.408 -24.938 1.00 30.31 C ATOM 353 O THR A 23 6.724 14.516 -24.850 1.00 14.04 O ATOM 354 CB THR A 23 7.670 12.160 -27.049 1.00 4.11 C ATOM 355 OG1 THR A 23 8.222 12.498 -28.314 1.00 61.22 O ATOM 356 CG2 THR A 23 6.163 12.360 -27.068 1.00 13.43 C ATOM 0 H THR A 23 9.520 11.387 -25.671 1.00 42.44 H new ATOM 0 HA THR A 23 8.637 13.977 -26.436 1.00 40.40 H new ATOM 0 HB THR A 23 7.912 11.118 -26.838 1.00 4.11 H new ATOM 0 HG1 THR A 23 8.971 11.899 -28.515 1.00 61.22 H new ATOM 0 HG21 THR A 23 5.721 11.719 -27.831 1.00 13.43 H new ATOM 0 HG22 THR A 23 5.749 12.102 -26.093 1.00 13.43 H new ATOM 0 HG23 THR A 23 5.937 13.402 -27.294 1.00 13.43 H new ATOM 364 N ALA A 24 6.867 12.412 -24.140 1.00 15.14 N ATOM 365 CA ALA A 24 5.878 12.559 -23.042 1.00 12.41 C ATOM 366 C ALA A 24 6.437 13.421 -21.918 1.00 4.31 C ATOM 367 O ALA A 24 5.871 14.423 -21.565 1.00 52.45 O ATOM 368 CB ALA A 24 5.723 11.152 -22.505 1.00 14.32 C ATOM 0 H ALA A 24 7.270 11.478 -24.215 1.00 15.14 H new ATOM 0 HA ALA A 24 4.954 13.018 -23.393 1.00 12.41 H new ATOM 0 HB1 ALA A 24 5.007 11.153 -21.683 1.00 14.32 H new ATOM 0 HB2 ALA A 24 5.363 10.497 -23.299 1.00 14.32 H new ATOM 0 HB3 ALA A 24 6.687 10.791 -22.146 1.00 14.32 H new ATOM 374 N TYR A 25 7.545 12.998 -21.350 1.00 1.10 N ATOM 375 CA TYR A 25 8.172 13.736 -20.217 1.00 65.11 C ATOM 376 C TYR A 25 8.748 15.050 -20.673 1.00 73.15 C ATOM 377 O TYR A 25 8.900 15.963 -19.914 1.00 52.50 O ATOM 378 CB TYR A 25 9.311 12.831 -19.707 1.00 33.31 C ATOM 379 CG TYR A 25 10.481 13.672 -19.228 1.00 52.54 C ATOM 380 CD1 TYR A 25 11.354 14.245 -20.155 1.00 51.25 C ATOM 381 CD2 TYR A 25 10.660 13.906 -17.863 1.00 31.22 C ATOM 382 CE1 TYR A 25 12.405 15.061 -19.705 1.00 33.25 C ATOM 383 CE2 TYR A 25 11.708 14.708 -17.411 1.00 73.01 C ATOM 384 CZ TYR A 25 12.581 15.292 -18.333 1.00 74.03 C ATOM 385 OH TYR A 25 13.615 16.094 -17.894 1.00 65.21 O ATOM 0 H TYR A 25 8.046 12.156 -21.634 1.00 1.10 H new ATOM 0 HA TYR A 25 7.434 13.957 -19.446 1.00 65.11 H new ATOM 0 HB2 TYR A 25 8.949 12.203 -18.893 1.00 33.31 H new ATOM 0 HB3 TYR A 25 9.637 12.163 -20.504 1.00 33.31 H new ATOM 0 HD1 TYR A 25 11.222 14.062 -21.211 1.00 51.25 H new ATOM 0 HD2 TYR A 25 9.981 13.462 -17.151 1.00 31.22 H new ATOM 0 HE1 TYR A 25 13.080 15.512 -20.418 1.00 33.25 H new ATOM 0 HE2 TYR A 25 11.844 14.877 -16.353 1.00 73.01 H new ATOM 0 HH TYR A 25 13.593 16.150 -16.916 1.00 65.21 H new ATOM 395 N ARG A 26 9.097 15.143 -21.888 1.00 71.52 N ATOM 396 CA ARG A 26 9.688 16.406 -22.361 1.00 23.00 C ATOM 397 C ARG A 26 8.554 17.355 -22.609 1.00 62.24 C ATOM 398 O ARG A 26 8.563 18.480 -22.167 1.00 4.51 O ATOM 399 CB ARG A 26 10.457 16.057 -23.621 1.00 64.11 C ATOM 400 CG ARG A 26 11.686 16.948 -23.712 1.00 1.40 C ATOM 401 CD ARG A 26 11.613 17.789 -24.990 1.00 40.10 C ATOM 402 NE ARG A 26 13.017 18.199 -25.266 1.00 33.51 N ATOM 403 CZ ARG A 26 13.352 18.606 -26.460 1.00 55.21 C ATOM 404 NH1 ARG A 26 13.548 17.738 -27.416 1.00 20.54 N ATOM 405 NH2 ARG A 26 13.484 19.882 -26.700 1.00 53.20 N ATOM 0 H ARG A 26 9.005 14.407 -22.588 1.00 71.52 H new ATOM 0 HA ARG A 26 10.369 16.882 -21.655 1.00 23.00 H new ATOM 0 HB2 ARG A 26 10.753 15.008 -23.604 1.00 64.11 H new ATOM 0 HB3 ARG A 26 9.825 16.196 -24.498 1.00 64.11 H new ATOM 0 HG2 ARG A 26 11.743 17.598 -22.839 1.00 1.40 H new ATOM 0 HG3 ARG A 26 12.590 16.339 -23.715 1.00 1.40 H new ATOM 0 HD2 ARG A 26 11.201 17.212 -25.818 1.00 40.10 H new ATOM 0 HD3 ARG A 26 10.968 18.657 -24.854 1.00 40.10 H new ATOM 0 HE ARG A 26 13.716 18.162 -24.524 1.00 33.51 H new ATOM 0 HH11 ARG A 26 13.439 16.741 -27.230 1.00 20.54 H new ATOM 0 HH12 ARG A 26 13.810 18.057 -28.349 1.00 20.54 H new ATOM 0 HH21 ARG A 26 13.325 20.560 -25.955 1.00 53.20 H new ATOM 0 HH22 ARG A 26 13.746 20.201 -27.633 1.00 53.20 H new ATOM 419 N ARG A 27 7.529 16.874 -23.236 1.00 53.30 N ATOM 420 CA ARG A 27 6.350 17.733 -23.422 1.00 64.15 C ATOM 421 C ARG A 27 5.786 17.922 -22.026 1.00 0.23 C ATOM 422 O ARG A 27 5.373 18.997 -21.649 1.00 74.45 O ATOM 423 CB ARG A 27 5.387 16.973 -24.347 1.00 32.25 C ATOM 424 CG ARG A 27 4.867 15.705 -23.670 1.00 13.02 C ATOM 425 CD ARG A 27 3.877 15.004 -24.586 1.00 61.11 C ATOM 426 NE ARG A 27 2.669 15.875 -24.592 1.00 3.35 N ATOM 427 CZ ARG A 27 2.026 16.085 -25.707 1.00 10.33 C ATOM 428 NH1 ARG A 27 1.985 15.152 -26.618 1.00 0.14 N ATOM 429 NH2 ARG A 27 1.424 17.225 -25.910 1.00 21.21 N ATOM 0 H ARG A 27 7.459 15.933 -23.623 1.00 53.30 H new ATOM 0 HA ARG A 27 6.550 18.704 -23.874 1.00 64.15 H new ATOM 0 HB2 ARG A 27 4.549 17.617 -24.614 1.00 32.25 H new ATOM 0 HB3 ARG A 27 5.897 16.712 -25.274 1.00 32.25 H new ATOM 0 HG2 ARG A 27 5.698 15.038 -23.438 1.00 13.02 H new ATOM 0 HG3 ARG A 27 4.387 15.957 -22.724 1.00 13.02 H new ATOM 0 HD2 ARG A 27 4.284 14.888 -25.590 1.00 61.11 H new ATOM 0 HD3 ARG A 27 3.641 14.005 -24.220 1.00 61.11 H new ATOM 0 HE ARG A 27 2.345 16.306 -23.726 1.00 3.35 H new ATOM 0 HH11 ARG A 27 2.455 14.261 -26.457 1.00 0.14 H new ATOM 0 HH12 ARG A 27 1.483 15.313 -27.491 1.00 0.14 H new ATOM 0 HH21 ARG A 27 1.456 17.953 -25.196 1.00 21.21 H new ATOM 0 HH22 ARG A 27 0.921 17.388 -26.782 1.00 21.21 H new ATOM 443 N LEU A 28 5.846 16.865 -21.245 1.00 5.12 N ATOM 444 CA LEU A 28 5.389 16.915 -19.826 1.00 51.11 C ATOM 445 C LEU A 28 6.262 17.834 -19.039 1.00 60.12 C ATOM 446 O LEU A 28 5.891 18.909 -18.675 1.00 72.12 O ATOM 447 CB LEU A 28 5.598 15.532 -19.266 1.00 64.52 C ATOM 448 CG LEU A 28 4.254 14.883 -19.141 1.00 4.25 C ATOM 449 CD1 LEU A 28 3.440 15.635 -18.134 1.00 60.33 C ATOM 450 CD2 LEU A 28 3.549 14.940 -20.453 1.00 41.13 C ATOM 0 H LEU A 28 6.200 15.956 -21.542 1.00 5.12 H new ATOM 0 HA LEU A 28 4.354 17.252 -19.774 1.00 51.11 H new ATOM 0 HB2 LEU A 28 6.245 14.948 -19.921 1.00 64.52 H new ATOM 0 HB3 LEU A 28 6.090 15.583 -18.295 1.00 64.52 H new ATOM 0 HG LEU A 28 4.381 13.846 -18.831 1.00 4.25 H new ATOM 0 HD11 LEU A 28 2.460 15.169 -18.037 1.00 60.33 H new ATOM 0 HD12 LEU A 28 3.947 15.617 -17.169 1.00 60.33 H new ATOM 0 HD13 LEU A 28 3.320 16.668 -18.461 1.00 60.33 H new ATOM 0 HD21 LEU A 28 2.571 14.468 -20.361 1.00 41.13 H new ATOM 0 HD22 LEU A 28 3.423 15.980 -20.753 1.00 41.13 H new ATOM 0 HD23 LEU A 28 4.137 14.414 -21.205 1.00 41.13 H new ATOM 462 N ALA A 29 7.444 17.395 -18.779 1.00 33.24 N ATOM 463 CA ALA A 29 8.369 18.220 -18.001 1.00 62.01 C ATOM 464 C ALA A 29 8.336 19.633 -18.559 1.00 42.30 C ATOM 465 O ALA A 29 8.588 20.595 -17.875 1.00 61.34 O ATOM 466 CB ALA A 29 9.718 17.609 -18.254 1.00 42.25 C ATOM 0 H ALA A 29 7.810 16.491 -19.076 1.00 33.24 H new ATOM 0 HA ALA A 29 8.126 18.260 -16.939 1.00 62.01 H new ATOM 0 HB1 ALA A 29 10.478 18.166 -17.707 1.00 42.25 H new ATOM 0 HB2 ALA A 29 9.716 16.572 -17.918 1.00 42.25 H new ATOM 0 HB3 ALA A 29 9.939 17.645 -19.321 1.00 42.25 H new ATOM 472 N ARG A 30 7.999 19.758 -19.811 1.00 73.40 N ATOM 473 CA ARG A 30 7.912 21.102 -20.411 1.00 4.10 C ATOM 474 C ARG A 30 6.630 21.758 -19.914 1.00 74.31 C ATOM 475 O ARG A 30 6.597 22.924 -19.574 1.00 64.20 O ATOM 476 CB ARG A 30 7.839 20.853 -21.906 1.00 75.41 C ATOM 477 CG ARG A 30 7.414 22.130 -22.627 1.00 65.31 C ATOM 478 CD ARG A 30 7.316 21.859 -24.131 1.00 24.12 C ATOM 479 NE ARG A 30 8.439 22.627 -24.736 1.00 40.32 N ATOM 480 CZ ARG A 30 8.232 23.831 -25.197 1.00 32.13 C ATOM 481 NH1 ARG A 30 7.821 23.997 -26.425 1.00 11.14 N ATOM 482 NH2 ARG A 30 8.436 24.867 -24.431 1.00 64.32 N ATOM 0 H ARG A 30 7.782 18.984 -20.439 1.00 73.40 H new ATOM 0 HA ARG A 30 8.749 21.752 -20.157 1.00 4.10 H new ATOM 0 HB2 ARG A 30 8.810 20.522 -22.276 1.00 75.41 H new ATOM 0 HB3 ARG A 30 7.129 20.053 -22.116 1.00 75.41 H new ATOM 0 HG2 ARG A 30 6.452 22.473 -22.245 1.00 65.31 H new ATOM 0 HG3 ARG A 30 8.135 22.925 -22.436 1.00 65.31 H new ATOM 0 HD2 ARG A 30 7.405 20.794 -24.347 1.00 24.12 H new ATOM 0 HD3 ARG A 30 6.355 22.186 -24.529 1.00 24.12 H new ATOM 0 HE ARG A 30 9.370 22.213 -24.790 1.00 40.32 H new ATOM 0 HH11 ARG A 30 7.662 23.187 -27.023 1.00 11.14 H new ATOM 0 HH12 ARG A 30 7.659 24.937 -26.786 1.00 11.14 H new ATOM 0 HH21 ARG A 30 8.757 24.737 -23.472 1.00 64.32 H new ATOM 0 HH22 ARG A 30 8.274 25.807 -24.791 1.00 64.32 H new ATOM 496 N LYS A 31 5.578 20.986 -19.830 1.00 71.42 N ATOM 497 CA LYS A 31 4.297 21.518 -19.312 1.00 4.24 C ATOM 498 C LYS A 31 4.284 21.295 -17.803 1.00 63.14 C ATOM 499 O LYS A 31 3.368 21.685 -17.106 1.00 44.14 O ATOM 500 CB LYS A 31 3.220 20.657 -19.997 1.00 62.15 C ATOM 501 CG LYS A 31 3.413 19.179 -19.605 1.00 3.33 C ATOM 502 CD LYS A 31 2.086 18.429 -19.479 1.00 34.22 C ATOM 503 CE LYS A 31 1.533 18.116 -20.867 1.00 63.25 C ATOM 504 NZ LYS A 31 0.680 19.286 -21.226 1.00 43.52 N ATOM 0 H LYS A 31 5.558 20.003 -20.102 1.00 71.42 H new ATOM 0 HA LYS A 31 4.140 22.579 -19.506 1.00 4.24 H new ATOM 0 HB2 LYS A 31 2.227 20.995 -19.701 1.00 62.15 H new ATOM 0 HB3 LYS A 31 3.285 20.768 -21.079 1.00 62.15 H new ATOM 0 HG2 LYS A 31 4.036 18.687 -20.352 1.00 3.33 H new ATOM 0 HG3 LYS A 31 3.949 19.125 -18.657 1.00 3.33 H new ATOM 0 HD2 LYS A 31 2.232 17.505 -18.919 1.00 34.22 H new ATOM 0 HD3 LYS A 31 1.370 19.031 -18.920 1.00 34.22 H new ATOM 0 HE2 LYS A 31 2.338 17.980 -21.589 1.00 63.25 H new ATOM 0 HE3 LYS A 31 0.952 17.194 -20.860 1.00 63.25 H new ATOM 0 HZ1 LYS A 31 -0.156 18.958 -21.750 1.00 43.52 H new ATOM 0 HZ2 LYS A 31 0.376 19.773 -20.359 1.00 43.52 H new ATOM 0 HZ3 LYS A 31 1.225 19.944 -21.819 1.00 43.52 H new ATOM 518 N TYR A 32 5.288 20.607 -17.308 1.00 71.34 N ATOM 519 CA TYR A 32 5.353 20.267 -15.868 1.00 32.21 C ATOM 520 C TYR A 32 6.531 20.942 -15.176 1.00 32.01 C ATOM 521 O TYR A 32 6.515 21.117 -13.976 1.00 11.12 O ATOM 522 CB TYR A 32 5.573 18.764 -15.852 1.00 14.42 C ATOM 523 CG TYR A 32 4.266 18.043 -15.922 1.00 71.05 C ATOM 524 CD1 TYR A 32 3.182 18.615 -16.575 1.00 12.01 C ATOM 525 CD2 TYR A 32 4.162 16.784 -15.356 1.00 41.02 C ATOM 526 CE1 TYR A 32 1.974 17.927 -16.666 1.00 70.14 C ATOM 527 CE2 TYR A 32 2.955 16.080 -15.440 1.00 71.23 C ATOM 528 CZ TYR A 32 1.855 16.651 -16.098 1.00 34.33 C ATOM 529 OH TYR A 32 0.663 15.961 -16.186 1.00 21.44 O ATOM 0 H TYR A 32 6.075 20.265 -17.860 1.00 71.34 H new ATOM 0 HA TYR A 32 4.454 20.593 -15.346 1.00 32.21 H new ATOM 0 HB2 TYR A 32 6.201 18.473 -16.694 1.00 14.42 H new ATOM 0 HB3 TYR A 32 6.105 18.478 -14.944 1.00 14.42 H new ATOM 0 HD1 TYR A 32 3.276 19.597 -17.014 1.00 12.01 H new ATOM 0 HD2 TYR A 32 5.010 16.346 -14.851 1.00 41.02 H new ATOM 0 HE1 TYR A 32 1.132 18.375 -17.172 1.00 70.14 H new ATOM 0 HE2 TYR A 32 2.870 15.098 -14.999 1.00 71.23 H new ATOM 0 HH TYR A 32 0.834 15.054 -16.516 1.00 21.44 H new ATOM 539 N HIS A 33 7.569 21.326 -15.877 1.00 3.31 N ATOM 540 CA HIS A 33 8.676 21.970 -15.134 1.00 31.24 C ATOM 541 C HIS A 33 8.038 23.090 -14.328 1.00 44.22 C ATOM 542 O HIS A 33 7.414 23.971 -14.877 1.00 43.13 O ATOM 543 CB HIS A 33 9.703 22.483 -16.137 1.00 41.13 C ATOM 544 CG HIS A 33 10.886 22.906 -15.328 1.00 73.13 C ATOM 545 ND1 HIS A 33 10.897 24.112 -14.667 1.00 33.02 N ATOM 546 CD2 HIS A 33 12.014 22.239 -14.923 1.00 51.12 C ATOM 547 CE1 HIS A 33 11.979 24.133 -13.879 1.00 74.02 C ATOM 548 NE2 HIS A 33 12.706 23.018 -14.001 1.00 13.23 N ATOM 0 H HIS A 33 7.691 21.225 -16.885 1.00 3.31 H new ATOM 0 HA HIS A 33 9.202 21.290 -14.463 1.00 31.24 H new ATOM 0 HB2 HIS A 33 9.975 21.705 -16.850 1.00 41.13 H new ATOM 0 HB3 HIS A 33 9.304 23.318 -16.713 1.00 41.13 H new ATOM 0 HD2 HIS A 33 12.318 21.261 -15.266 1.00 51.12 H new ATOM 0 HE1 HIS A 33 12.234 24.953 -13.223 1.00 74.02 H new ATOM 0 HE2 HIS A 33 13.577 22.788 -13.523 1.00 13.23 H new ATOM 556 N PRO A 34 8.121 22.949 -13.043 1.00 34.43 N ATOM 557 CA PRO A 34 7.426 23.873 -12.131 1.00 40.35 C ATOM 558 C PRO A 34 7.718 25.346 -12.419 1.00 1.20 C ATOM 559 O PRO A 34 6.905 26.207 -12.150 1.00 25.23 O ATOM 560 CB PRO A 34 7.854 23.403 -10.754 1.00 12.44 C ATOM 561 CG PRO A 34 9.113 22.645 -10.991 1.00 73.12 C ATOM 562 CD PRO A 34 8.901 21.959 -12.308 1.00 50.42 C ATOM 0 HA PRO A 34 6.342 23.843 -12.246 1.00 40.35 H new ATOM 0 HB2 PRO A 34 8.019 24.245 -10.081 1.00 12.44 H new ATOM 0 HB3 PRO A 34 7.092 22.773 -10.296 1.00 12.44 H new ATOM 0 HG2 PRO A 34 9.976 23.310 -11.025 1.00 73.12 H new ATOM 0 HG3 PRO A 34 9.298 21.925 -10.194 1.00 73.12 H new ATOM 0 HD2 PRO A 34 9.844 21.731 -12.806 1.00 50.42 H new ATOM 0 HD3 PRO A 34 8.364 21.017 -12.196 1.00 50.42 H new ATOM 570 N ASP A 35 8.824 25.641 -13.018 1.00 63.14 N ATOM 571 CA ASP A 35 9.103 27.058 -13.383 1.00 13.13 C ATOM 572 C ASP A 35 8.110 27.462 -14.453 1.00 24.43 C ATOM 573 O ASP A 35 7.864 28.624 -14.710 1.00 43.33 O ATOM 574 CB ASP A 35 10.477 27.040 -14.026 1.00 55.45 C ATOM 575 CG ASP A 35 11.225 28.329 -13.688 1.00 54.10 C ATOM 576 OD1 ASP A 35 11.088 29.284 -14.434 1.00 74.53 O ATOM 577 OD2 ASP A 35 11.923 28.340 -12.687 1.00 14.44 O ATOM 0 H ASP A 35 9.550 24.971 -13.273 1.00 63.14 H new ATOM 0 HA ASP A 35 9.042 27.731 -12.528 1.00 13.13 H new ATOM 0 HB2 ASP A 35 11.042 26.178 -13.673 1.00 55.45 H new ATOM 0 HB3 ASP A 35 10.381 26.937 -15.107 1.00 55.45 H new ATOM 582 N VAL A 36 7.572 26.477 -15.100 1.00 51.53 N ATOM 583 CA VAL A 36 6.623 26.705 -16.192 1.00 24.21 C ATOM 584 C VAL A 36 5.845 25.414 -16.362 1.00 11.34 C ATOM 585 O VAL A 36 6.330 24.432 -16.890 1.00 0.21 O ATOM 586 CB VAL A 36 7.542 26.957 -17.410 1.00 15.42 C ATOM 587 CG1 VAL A 36 8.991 26.577 -17.069 1.00 12.41 C ATOM 588 CG2 VAL A 36 7.114 26.086 -18.579 1.00 3.13 C ATOM 0 H VAL A 36 7.762 25.494 -14.904 1.00 51.53 H new ATOM 0 HA VAL A 36 5.917 27.522 -16.043 1.00 24.21 H new ATOM 0 HB VAL A 36 7.470 28.014 -17.668 1.00 15.42 H new ATOM 0 HG11 VAL A 36 9.628 26.759 -17.934 1.00 12.41 H new ATOM 0 HG12 VAL A 36 9.338 27.180 -16.230 1.00 12.41 H new ATOM 0 HG13 VAL A 36 9.037 25.522 -16.800 1.00 12.41 H new ATOM 0 HG21 VAL A 36 7.769 26.272 -19.430 1.00 3.13 H new ATOM 0 HG22 VAL A 36 7.180 25.036 -18.294 1.00 3.13 H new ATOM 0 HG23 VAL A 36 6.086 26.324 -18.853 1.00 3.13 H new ATOM 598 N SER A 37 4.669 25.392 -15.897 1.00 61.33 N ATOM 599 CA SER A 37 3.883 24.160 -16.018 1.00 74.15 C ATOM 600 C SER A 37 2.391 24.444 -15.873 1.00 12.54 C ATOM 601 O SER A 37 2.003 25.251 -15.051 1.00 22.33 O ATOM 602 CB SER A 37 4.438 23.337 -14.894 1.00 31.34 C ATOM 603 OG SER A 37 3.603 23.479 -13.758 1.00 73.35 O ATOM 0 H SER A 37 4.202 26.171 -15.433 1.00 61.33 H new ATOM 0 HA SER A 37 3.958 23.662 -16.985 1.00 74.15 H new ATOM 0 HB2 SER A 37 4.497 22.289 -15.189 1.00 31.34 H new ATOM 0 HB3 SER A 37 5.452 23.659 -14.658 1.00 31.34 H new ATOM 0 HG SER A 37 2.740 23.047 -13.930 1.00 73.35 H new ATOM 609 N LYS A 38 1.532 23.790 -16.605 1.00 63.25 N ATOM 610 CA LYS A 38 0.092 24.080 -16.379 1.00 74.44 C ATOM 611 C LYS A 38 -0.684 22.798 -16.095 1.00 54.14 C ATOM 612 O LYS A 38 -1.352 22.219 -16.929 1.00 13.20 O ATOM 613 CB LYS A 38 -0.415 24.800 -17.629 1.00 73.34 C ATOM 614 CG LYS A 38 -0.545 26.299 -17.348 1.00 43.21 C ATOM 615 CD LYS A 38 -0.771 27.043 -18.667 1.00 20.10 C ATOM 616 CE LYS A 38 -1.104 28.509 -18.380 1.00 41.44 C ATOM 617 NZ LYS A 38 -0.690 29.251 -19.606 1.00 51.31 N ATOM 0 H LYS A 38 1.752 23.097 -17.320 1.00 63.25 H new ATOM 0 HA LYS A 38 -0.052 24.712 -15.503 1.00 74.44 H new ATOM 0 HB2 LYS A 38 0.272 24.635 -18.459 1.00 73.34 H new ATOM 0 HB3 LYS A 38 -1.380 24.392 -17.928 1.00 73.34 H new ATOM 0 HG2 LYS A 38 -1.376 26.482 -16.667 1.00 43.21 H new ATOM 0 HG3 LYS A 38 0.356 26.668 -16.858 1.00 43.21 H new ATOM 0 HD2 LYS A 38 0.121 26.978 -19.290 1.00 20.10 H new ATOM 0 HD3 LYS A 38 -1.584 26.577 -19.224 1.00 20.10 H new ATOM 0 HE2 LYS A 38 -2.168 28.640 -18.181 1.00 41.44 H new ATOM 0 HE3 LYS A 38 -0.569 28.870 -17.502 1.00 41.44 H new ATOM 0 HZ1 LYS A 38 -0.889 30.264 -19.482 1.00 51.31 H new ATOM 0 HZ2 LYS A 38 0.328 29.115 -19.767 1.00 51.31 H new ATOM 0 HZ3 LYS A 38 -1.221 28.892 -20.425 1.00 51.31 H new ATOM 631 N GLU A 39 -0.537 22.377 -14.893 1.00 63.11 N ATOM 632 CA GLU A 39 -1.162 21.135 -14.366 1.00 4.33 C ATOM 633 C GLU A 39 -1.637 21.389 -12.924 1.00 2.34 C ATOM 634 O GLU A 39 -1.263 22.375 -12.324 1.00 40.32 O ATOM 635 CB GLU A 39 -0.034 20.107 -14.408 1.00 51.42 C ATOM 636 CG GLU A 39 0.816 20.237 -13.166 1.00 44.40 C ATOM 637 CD GLU A 39 1.107 21.716 -12.891 1.00 34.35 C ATOM 638 OE1 GLU A 39 1.550 22.393 -13.803 1.00 63.54 O ATOM 639 OE2 GLU A 39 0.921 22.136 -11.761 1.00 12.45 O ATOM 0 H GLU A 39 0.027 22.870 -14.201 1.00 63.11 H new ATOM 0 HA GLU A 39 -2.031 20.801 -14.933 1.00 4.33 H new ATOM 0 HB2 GLU A 39 -0.448 19.101 -14.474 1.00 51.42 H new ATOM 0 HB3 GLU A 39 0.578 20.259 -15.297 1.00 51.42 H new ATOM 0 HG2 GLU A 39 0.302 19.793 -12.314 1.00 44.40 H new ATOM 0 HG3 GLU A 39 1.750 19.690 -13.294 1.00 44.40 H new ATOM 646 N PRO A 40 -2.421 20.502 -12.393 1.00 23.21 N ATOM 647 CA PRO A 40 -2.872 20.671 -10.990 1.00 43.33 C ATOM 648 C PRO A 40 -1.639 20.675 -10.051 1.00 50.14 C ATOM 649 O PRO A 40 -1.559 21.459 -9.126 1.00 41.24 O ATOM 650 CB PRO A 40 -3.776 19.455 -10.765 1.00 62.35 C ATOM 651 CG PRO A 40 -3.323 18.462 -11.786 1.00 64.14 C ATOM 652 CD PRO A 40 -2.935 19.272 -12.995 1.00 31.03 C ATOM 0 HA PRO A 40 -3.398 21.605 -10.791 1.00 43.33 H new ATOM 0 HB2 PRO A 40 -3.669 19.062 -9.754 1.00 62.35 H new ATOM 0 HB3 PRO A 40 -4.827 19.711 -10.898 1.00 62.35 H new ATOM 0 HG2 PRO A 40 -2.479 17.879 -11.418 1.00 64.14 H new ATOM 0 HG3 PRO A 40 -4.118 17.756 -12.026 1.00 64.14 H new ATOM 0 HD2 PRO A 40 -2.180 18.767 -13.597 1.00 31.03 H new ATOM 0 HD3 PRO A 40 -3.787 19.463 -13.647 1.00 31.03 H new ATOM 660 N ASP A 41 -0.671 19.817 -10.301 1.00 5.02 N ATOM 661 CA ASP A 41 0.574 19.776 -9.447 1.00 55.22 C ATOM 662 C ASP A 41 1.786 19.324 -10.291 1.00 64.53 C ATOM 663 O ASP A 41 2.196 18.194 -10.210 1.00 32.11 O ATOM 664 CB ASP A 41 0.273 18.742 -8.359 1.00 51.34 C ATOM 665 CG ASP A 41 0.780 19.252 -7.009 1.00 11.23 C ATOM 666 OD1 ASP A 41 0.598 20.427 -6.734 1.00 11.11 O ATOM 667 OD2 ASP A 41 1.340 18.458 -6.271 1.00 2.45 O ATOM 0 H ASP A 41 -0.687 19.139 -11.063 1.00 5.02 H new ATOM 0 HA ASP A 41 0.819 20.753 -9.030 1.00 55.22 H new ATOM 0 HB2 ASP A 41 -0.800 18.555 -8.308 1.00 51.34 H new ATOM 0 HB3 ASP A 41 0.751 17.793 -8.603 1.00 51.34 H new ATOM 672 N ALA A 42 2.343 20.216 -11.090 1.00 24.11 N ATOM 673 CA ALA A 42 3.524 19.883 -11.985 1.00 60.22 C ATOM 674 C ALA A 42 4.798 19.756 -11.165 1.00 34.44 C ATOM 675 O ALA A 42 5.661 18.974 -11.484 1.00 10.21 O ATOM 676 CB ALA A 42 3.636 21.043 -12.989 1.00 21.30 C ATOM 0 H ALA A 42 2.025 21.182 -11.164 1.00 24.11 H new ATOM 0 HA ALA A 42 3.381 18.930 -12.495 1.00 60.22 H new ATOM 0 HB1 ALA A 42 4.472 20.861 -13.664 1.00 21.30 H new ATOM 0 HB2 ALA A 42 2.714 21.116 -13.565 1.00 21.30 H new ATOM 0 HB3 ALA A 42 3.802 21.976 -12.450 1.00 21.30 H new ATOM 682 N GLU A 43 4.928 20.468 -10.083 1.00 31.01 N ATOM 683 CA GLU A 43 6.156 20.274 -9.271 1.00 3.41 C ATOM 684 C GLU A 43 6.208 18.778 -8.996 1.00 11.33 C ATOM 685 O GLU A 43 7.190 18.097 -9.229 1.00 4.51 O ATOM 686 CB GLU A 43 5.928 21.087 -7.989 1.00 44.11 C ATOM 687 CG GLU A 43 6.623 20.415 -6.800 1.00 62.02 C ATOM 688 CD GLU A 43 8.092 20.159 -7.139 1.00 1.20 C ATOM 689 OE1 GLU A 43 8.567 20.734 -8.104 1.00 1.13 O ATOM 690 OE2 GLU A 43 8.718 19.391 -6.426 1.00 2.04 O ATOM 0 H GLU A 43 4.260 21.155 -9.734 1.00 31.01 H new ATOM 0 HA GLU A 43 7.089 20.594 -9.736 1.00 3.41 H new ATOM 0 HB2 GLU A 43 6.313 22.099 -8.119 1.00 44.11 H new ATOM 0 HB3 GLU A 43 4.860 21.175 -7.792 1.00 44.11 H new ATOM 0 HG2 GLU A 43 6.549 21.050 -5.917 1.00 62.02 H new ATOM 0 HG3 GLU A 43 6.126 19.475 -6.560 1.00 62.02 H new ATOM 697 N ALA A 44 5.092 18.270 -8.568 1.00 51.01 N ATOM 698 CA ALA A 44 4.952 16.821 -8.314 1.00 44.12 C ATOM 699 C ALA A 44 4.835 16.084 -9.633 1.00 70.40 C ATOM 700 O ALA A 44 5.567 15.161 -9.918 1.00 1.45 O ATOM 701 CB ALA A 44 3.622 16.718 -7.603 1.00 41.50 C ATOM 0 H ALA A 44 4.251 18.816 -8.380 1.00 51.01 H new ATOM 0 HA ALA A 44 5.792 16.406 -7.757 1.00 44.12 H new ATOM 0 HB1 ALA A 44 3.416 15.674 -7.365 1.00 41.50 H new ATOM 0 HB2 ALA A 44 3.656 17.300 -6.682 1.00 41.50 H new ATOM 0 HB3 ALA A 44 2.833 17.105 -8.248 1.00 41.50 H new ATOM 707 N ARG A 45 3.894 16.491 -10.435 1.00 45.02 N ATOM 708 CA ARG A 45 3.692 15.830 -11.735 1.00 50.11 C ATOM 709 C ARG A 45 5.014 15.828 -12.496 1.00 23.13 C ATOM 710 O ARG A 45 5.521 14.793 -12.874 1.00 14.22 O ATOM 711 CB ARG A 45 2.638 16.673 -12.453 1.00 2.41 C ATOM 712 CG ARG A 45 1.321 15.908 -12.533 1.00 42.11 C ATOM 713 CD ARG A 45 1.569 14.533 -13.142 1.00 14.44 C ATOM 714 NE ARG A 45 0.914 13.579 -12.207 1.00 74.43 N ATOM 715 CZ ARG A 45 -0.366 13.345 -12.304 1.00 34.53 C ATOM 716 NH1 ARG A 45 -0.809 12.511 -13.203 1.00 73.44 N ATOM 717 NH2 ARG A 45 -1.203 13.949 -11.504 1.00 15.12 N ATOM 0 H ARG A 45 3.255 17.261 -10.237 1.00 45.02 H new ATOM 0 HA ARG A 45 3.366 14.794 -11.646 1.00 50.11 H new ATOM 0 HB2 ARG A 45 2.490 17.613 -11.922 1.00 2.41 H new ATOM 0 HB3 ARG A 45 2.983 16.924 -13.456 1.00 2.41 H new ATOM 0 HG2 ARG A 45 0.887 15.804 -11.538 1.00 42.11 H new ATOM 0 HG3 ARG A 45 0.603 16.461 -13.138 1.00 42.11 H new ATOM 0 HD2 ARG A 45 1.143 14.461 -14.143 1.00 14.44 H new ATOM 0 HD3 ARG A 45 2.636 14.328 -13.234 1.00 14.44 H new ATOM 0 HE ARG A 45 1.466 13.108 -11.490 1.00 74.43 H new ATOM 0 HH11 ARG A 45 -0.155 12.042 -13.830 1.00 73.44 H new ATOM 0 HH12 ARG A 45 -1.809 12.328 -13.279 1.00 73.44 H new ATOM 0 HH21 ARG A 45 -0.856 14.604 -10.803 1.00 15.12 H new ATOM 0 HH22 ARG A 45 -2.204 13.766 -11.580 1.00 15.12 H new ATOM 731 N PHE A 46 5.602 16.974 -12.695 1.00 44.04 N ATOM 732 CA PHE A 46 6.906 16.994 -13.397 1.00 3.22 C ATOM 733 C PHE A 46 7.808 16.008 -12.711 1.00 30.32 C ATOM 734 O PHE A 46 8.292 15.068 -13.305 1.00 71.15 O ATOM 735 CB PHE A 46 7.510 18.375 -13.194 1.00 30.22 C ATOM 736 CG PHE A 46 8.889 18.380 -13.810 1.00 72.31 C ATOM 737 CD1 PHE A 46 9.181 17.563 -14.915 1.00 11.31 C ATOM 738 CD2 PHE A 46 9.878 19.199 -13.273 1.00 14.53 C ATOM 739 CE1 PHE A 46 10.467 17.577 -15.467 1.00 4.45 C ATOM 740 CE2 PHE A 46 11.161 19.216 -13.826 1.00 23.22 C ATOM 741 CZ PHE A 46 11.456 18.404 -14.924 1.00 71.05 C ATOM 0 H PHE A 46 5.240 17.883 -12.406 1.00 44.04 H new ATOM 0 HA PHE A 46 6.790 16.757 -14.455 1.00 3.22 H new ATOM 0 HB2 PHE A 46 6.883 19.136 -13.658 1.00 30.22 H new ATOM 0 HB3 PHE A 46 7.567 18.613 -12.132 1.00 30.22 H new ATOM 0 HD1 PHE A 46 8.417 16.927 -15.337 1.00 11.31 H new ATOM 0 HD2 PHE A 46 9.652 19.826 -12.423 1.00 14.53 H new ATOM 0 HE1 PHE A 46 10.696 16.948 -16.314 1.00 4.45 H new ATOM 0 HE2 PHE A 46 11.923 19.855 -13.406 1.00 23.22 H new ATOM 0 HZ PHE A 46 12.447 18.415 -15.353 1.00 71.05 H new ATOM 751 N LYS A 47 8.029 16.201 -11.442 1.00 3.22 N ATOM 752 CA LYS A 47 8.888 15.245 -10.742 1.00 65.42 C ATOM 753 C LYS A 47 8.352 13.849 -11.032 1.00 65.31 C ATOM 754 O LYS A 47 9.106 12.918 -11.216 1.00 71.30 O ATOM 755 CB LYS A 47 8.794 15.578 -9.262 1.00 34.42 C ATOM 756 CG LYS A 47 9.733 16.746 -8.940 1.00 31.32 C ATOM 757 CD LYS A 47 10.387 16.511 -7.577 1.00 4.30 C ATOM 758 CE LYS A 47 11.891 16.296 -7.762 1.00 63.32 C ATOM 759 NZ LYS A 47 12.521 16.996 -6.608 1.00 73.11 N ATOM 0 H LYS A 47 7.656 16.966 -10.880 1.00 3.22 H new ATOM 0 HA LYS A 47 9.930 15.291 -11.060 1.00 65.42 H new ATOM 0 HB2 LYS A 47 7.768 15.840 -9.002 1.00 34.42 H new ATOM 0 HB3 LYS A 47 9.062 14.707 -8.665 1.00 34.42 H new ATOM 0 HG2 LYS A 47 10.497 16.836 -9.712 1.00 31.32 H new ATOM 0 HG3 LYS A 47 9.176 17.683 -8.932 1.00 31.32 H new ATOM 0 HD2 LYS A 47 10.209 17.365 -6.924 1.00 4.30 H new ATOM 0 HD3 LYS A 47 9.942 15.642 -7.093 1.00 4.30 H new ATOM 0 HE2 LYS A 47 12.141 15.235 -7.766 1.00 63.32 H new ATOM 0 HE3 LYS A 47 12.236 16.708 -8.710 1.00 63.32 H new ATOM 0 HZ1 LYS A 47 13.555 16.895 -6.663 1.00 73.11 H new ATOM 0 HZ2 LYS A 47 12.270 18.005 -6.635 1.00 73.11 H new ATOM 0 HZ3 LYS A 47 12.179 16.578 -5.719 1.00 73.11 H new ATOM 773 N GLU A 48 7.044 13.703 -11.127 1.00 1.03 N ATOM 774 CA GLU A 48 6.490 12.386 -11.461 1.00 55.41 C ATOM 775 C GLU A 48 7.004 12.022 -12.829 1.00 42.15 C ATOM 776 O GLU A 48 7.395 10.902 -13.094 1.00 5.21 O ATOM 777 CB GLU A 48 4.983 12.566 -11.508 1.00 3.53 C ATOM 778 CG GLU A 48 4.380 11.813 -10.360 1.00 44.34 C ATOM 779 CD GLU A 48 3.373 12.700 -9.624 1.00 70.31 C ATOM 780 OE1 GLU A 48 2.485 13.222 -10.277 1.00 21.04 O ATOM 781 OE2 GLU A 48 3.507 12.843 -8.419 1.00 25.33 O ATOM 0 H GLU A 48 6.359 14.445 -10.985 1.00 1.03 H new ATOM 0 HA GLU A 48 6.764 11.609 -10.747 1.00 55.41 H new ATOM 0 HB2 GLU A 48 4.725 13.623 -11.445 1.00 3.53 H new ATOM 0 HB3 GLU A 48 4.586 12.197 -12.454 1.00 3.53 H new ATOM 0 HG2 GLU A 48 3.886 10.912 -10.724 1.00 44.34 H new ATOM 0 HG3 GLU A 48 5.163 11.491 -9.674 1.00 44.34 H new ATOM 788 N VAL A 49 7.021 12.975 -13.707 1.00 23.40 N ATOM 789 CA VAL A 49 7.531 12.691 -15.056 1.00 31.24 C ATOM 790 C VAL A 49 8.971 12.444 -14.964 1.00 72.02 C ATOM 791 O VAL A 49 9.462 11.429 -15.308 1.00 42.14 O ATOM 792 CB VAL A 49 7.384 13.945 -15.850 1.00 34.54 C ATOM 793 CG1 VAL A 49 7.802 13.637 -17.254 1.00 4.25 C ATOM 794 CG2 VAL A 49 5.962 14.377 -15.822 1.00 63.42 C ATOM 0 H VAL A 49 6.705 13.931 -13.546 1.00 23.40 H new ATOM 0 HA VAL A 49 7.004 11.844 -15.495 1.00 31.24 H new ATOM 0 HB VAL A 49 7.998 14.747 -15.440 1.00 34.54 H new ATOM 0 HG11 VAL A 49 7.708 14.534 -17.867 1.00 4.25 H new ATOM 0 HG12 VAL A 49 8.839 13.301 -17.260 1.00 4.25 H new ATOM 0 HG13 VAL A 49 7.164 12.852 -17.660 1.00 4.25 H new ATOM 0 HG21 VAL A 49 5.849 15.294 -16.401 1.00 63.42 H new ATOM 0 HG22 VAL A 49 5.336 13.596 -16.253 1.00 63.42 H new ATOM 0 HG23 VAL A 49 5.657 14.559 -14.791 1.00 63.42 H new ATOM 804 N ALA A 50 9.649 13.395 -14.480 1.00 43.10 N ATOM 805 CA ALA A 50 11.080 13.253 -14.342 1.00 3.12 C ATOM 806 C ALA A 50 11.369 11.905 -13.698 1.00 1.03 C ATOM 807 O ALA A 50 12.103 11.125 -14.241 1.00 22.21 O ATOM 808 CB ALA A 50 11.395 14.407 -13.459 1.00 64.23 C ATOM 0 H ALA A 50 9.266 14.287 -14.166 1.00 43.10 H new ATOM 0 HA ALA A 50 11.667 13.264 -15.260 1.00 3.12 H new ATOM 0 HB1 ALA A 50 12.467 14.432 -13.261 1.00 64.23 H new ATOM 0 HB2 ALA A 50 11.095 15.333 -13.949 1.00 64.23 H new ATOM 0 HB3 ALA A 50 10.855 14.303 -12.518 1.00 64.23 H new ATOM 814 N GLU A 51 10.741 11.585 -12.593 1.00 51.10 N ATOM 815 CA GLU A 51 10.968 10.236 -12.010 1.00 23.11 C ATOM 816 C GLU A 51 10.474 9.206 -12.998 1.00 21.32 C ATOM 817 O GLU A 51 11.135 8.220 -13.241 1.00 32.33 O ATOM 818 CB GLU A 51 10.185 10.171 -10.713 1.00 3.41 C ATOM 819 CG GLU A 51 8.695 10.069 -10.970 1.00 40.13 C ATOM 820 CD GLU A 51 7.994 9.637 -9.677 1.00 0.51 C ATOM 821 OE1 GLU A 51 8.611 8.918 -8.908 1.00 24.44 O ATOM 822 OE2 GLU A 51 6.856 10.025 -9.478 1.00 63.22 O ATOM 0 H GLU A 51 10.096 12.188 -12.082 1.00 51.10 H new ATOM 0 HA GLU A 51 12.022 10.043 -11.808 1.00 23.11 H new ATOM 0 HB2 GLU A 51 10.515 9.311 -10.130 1.00 3.41 H new ATOM 0 HB3 GLU A 51 10.393 11.059 -10.116 1.00 3.41 H new ATOM 0 HG2 GLU A 51 8.305 11.029 -11.307 1.00 40.13 H new ATOM 0 HG3 GLU A 51 8.498 9.348 -11.764 1.00 40.13 H new ATOM 829 N ALA A 52 9.356 9.450 -13.633 1.00 55.41 N ATOM 830 CA ALA A 52 8.916 8.488 -14.663 1.00 41.44 C ATOM 831 C ALA A 52 10.012 8.512 -15.672 1.00 4.00 C ATOM 832 O ALA A 52 10.673 7.584 -16.038 1.00 61.12 O ATOM 833 CB ALA A 52 7.694 9.106 -15.314 1.00 30.21 C ATOM 0 H ALA A 52 8.748 10.255 -13.482 1.00 55.41 H new ATOM 0 HA ALA A 52 8.704 7.489 -14.283 1.00 41.44 H new ATOM 0 HB1 ALA A 52 7.318 8.439 -16.090 1.00 30.21 H new ATOM 0 HB2 ALA A 52 6.920 9.260 -14.562 1.00 30.21 H new ATOM 0 HB3 ALA A 52 7.964 10.064 -15.759 1.00 30.21 H new ATOM 839 N TRP A 53 10.208 9.621 -16.100 1.00 12.31 N ATOM 840 CA TRP A 53 11.237 9.854 -17.048 1.00 41.23 C ATOM 841 C TRP A 53 12.539 9.218 -16.559 1.00 11.11 C ATOM 842 O TRP A 53 13.309 8.731 -17.349 1.00 31.22 O ATOM 843 CB TRP A 53 11.275 11.340 -17.092 1.00 40.23 C ATOM 844 CG TRP A 53 12.359 11.683 -17.977 1.00 25.21 C ATOM 845 CD1 TRP A 53 13.385 12.477 -17.702 1.00 63.32 C ATOM 846 CD2 TRP A 53 12.539 11.182 -19.278 1.00 24.41 C ATOM 847 NE1 TRP A 53 14.234 12.481 -18.793 1.00 63.44 N ATOM 848 CE2 TRP A 53 13.729 11.681 -19.801 1.00 30.32 C ATOM 849 CE3 TRP A 53 11.763 10.335 -20.042 1.00 60.43 C ATOM 850 CZ2 TRP A 53 14.141 11.326 -21.065 1.00 72.32 C ATOM 851 CZ3 TRP A 53 12.150 9.982 -21.295 1.00 42.41 C ATOM 852 CH2 TRP A 53 13.350 10.468 -21.825 1.00 23.41 C ATOM 0 H TRP A 53 9.676 10.448 -15.830 1.00 12.31 H new ATOM 0 HA TRP A 53 11.081 9.422 -18.036 1.00 41.23 H new ATOM 0 HB2 TRP A 53 10.331 11.744 -17.457 1.00 40.23 H new ATOM 0 HB3 TRP A 53 11.437 11.756 -16.098 1.00 40.23 H new ATOM 0 HD1 TRP A 53 13.532 13.026 -16.784 1.00 63.32 H new ATOM 0 HE1 TRP A 53 15.110 13.001 -18.847 1.00 63.44 H new ATOM 0 HE3 TRP A 53 10.838 9.949 -19.640 1.00 60.43 H new ATOM 0 HZ2 TRP A 53 15.069 11.709 -21.464 1.00 72.32 H new ATOM 0 HZ3 TRP A 53 11.529 9.324 -21.884 1.00 42.41 H new ATOM 0 HH2 TRP A 53 13.661 10.179 -22.818 1.00 23.41 H new ATOM 863 N GLU A 54 12.774 9.120 -15.269 1.00 51.14 N ATOM 864 CA GLU A 54 14.008 8.400 -14.875 1.00 12.34 C ATOM 865 C GLU A 54 13.778 7.001 -15.362 1.00 2.11 C ATOM 866 O GLU A 54 14.341 6.557 -16.322 1.00 0.01 O ATOM 867 CB GLU A 54 14.056 8.334 -13.345 1.00 52.43 C ATOM 868 CG GLU A 54 14.134 9.709 -12.731 1.00 14.14 C ATOM 869 CD GLU A 54 15.576 10.216 -12.777 1.00 31.14 C ATOM 870 OE1 GLU A 54 16.302 9.796 -13.662 1.00 4.13 O ATOM 871 OE2 GLU A 54 15.930 11.015 -11.925 1.00 43.11 O ATOM 0 H GLU A 54 12.194 9.489 -14.515 1.00 51.14 H new ATOM 0 HA GLU A 54 14.914 8.866 -15.262 1.00 12.34 H new ATOM 0 HB2 GLU A 54 13.169 7.820 -12.975 1.00 52.43 H new ATOM 0 HB3 GLU A 54 14.919 7.746 -13.033 1.00 52.43 H new ATOM 0 HG2 GLU A 54 13.480 10.395 -13.269 1.00 14.14 H new ATOM 0 HG3 GLU A 54 13.783 9.677 -11.700 1.00 14.14 H new ATOM 878 N VAL A 55 12.840 6.359 -14.738 1.00 23.02 N ATOM 879 CA VAL A 55 12.435 5.004 -15.146 1.00 24.20 C ATOM 880 C VAL A 55 12.334 4.904 -16.608 1.00 52.52 C ATOM 881 O VAL A 55 13.026 4.162 -17.237 1.00 23.40 O ATOM 882 CB VAL A 55 11.040 4.788 -14.553 1.00 4.22 C ATOM 883 CG1 VAL A 55 11.111 4.170 -13.186 1.00 63.11 C ATOM 884 CG2 VAL A 55 10.315 6.064 -14.403 1.00 44.15 C ATOM 0 H VAL A 55 12.326 6.732 -13.940 1.00 23.02 H new ATOM 0 HA VAL A 55 13.163 4.269 -14.804 1.00 24.20 H new ATOM 0 HB VAL A 55 10.521 4.127 -15.247 1.00 4.22 H new ATOM 0 HG11 VAL A 55 10.102 4.032 -12.796 1.00 63.11 H new ATOM 0 HG12 VAL A 55 11.611 3.204 -13.249 1.00 63.11 H new ATOM 0 HG13 VAL A 55 11.671 4.826 -12.519 1.00 63.11 H new ATOM 0 HG21 VAL A 55 9.329 5.874 -13.980 1.00 44.15 H new ATOM 0 HG22 VAL A 55 10.874 6.724 -13.740 1.00 44.15 H new ATOM 0 HG23 VAL A 55 10.206 6.537 -15.379 1.00 44.15 H new ATOM 894 N LEU A 56 11.494 5.656 -17.143 1.00 40.14 N ATOM 895 CA LEU A 56 11.300 5.601 -18.575 1.00 62.42 C ATOM 896 C LEU A 56 12.606 5.883 -19.298 1.00 74.43 C ATOM 897 O LEU A 56 12.933 5.259 -20.287 1.00 41.31 O ATOM 898 CB LEU A 56 10.232 6.631 -18.824 1.00 42.10 C ATOM 899 CG LEU A 56 9.118 6.503 -17.797 1.00 32.42 C ATOM 900 CD1 LEU A 56 7.872 7.090 -18.342 1.00 63.14 C ATOM 901 CD2 LEU A 56 8.890 5.059 -17.448 1.00 4.44 C ATOM 0 H LEU A 56 10.911 6.330 -16.647 1.00 40.14 H new ATOM 0 HA LEU A 56 10.995 4.624 -18.950 1.00 62.42 H new ATOM 0 HB2 LEU A 56 10.665 7.630 -18.777 1.00 42.10 H new ATOM 0 HB3 LEU A 56 9.825 6.506 -19.828 1.00 42.10 H new ATOM 0 HG LEU A 56 9.408 7.038 -16.893 1.00 32.42 H new ATOM 0 HD11 LEU A 56 7.074 6.998 -17.605 1.00 63.14 H new ATOM 0 HD12 LEU A 56 8.035 8.143 -18.570 1.00 63.14 H new ATOM 0 HD13 LEU A 56 7.588 6.561 -19.252 1.00 63.14 H new ATOM 0 HD21 LEU A 56 8.090 4.985 -16.712 1.00 4.44 H new ATOM 0 HD22 LEU A 56 8.610 4.508 -18.346 1.00 4.44 H new ATOM 0 HD23 LEU A 56 9.805 4.636 -17.033 1.00 4.44 H new ATOM 913 N SER A 57 13.371 6.789 -18.787 1.00 30.13 N ATOM 914 CA SER A 57 14.695 7.079 -19.428 1.00 62.34 C ATOM 915 C SER A 57 15.795 6.256 -18.744 1.00 70.41 C ATOM 916 O SER A 57 16.970 6.450 -18.984 1.00 63.50 O ATOM 917 CB SER A 57 14.947 8.574 -19.239 1.00 65.11 C ATOM 918 OG SER A 57 15.565 8.788 -17.977 1.00 54.20 O ATOM 0 H SER A 57 13.152 7.345 -17.960 1.00 30.13 H new ATOM 0 HA SER A 57 14.696 6.815 -20.486 1.00 62.34 H new ATOM 0 HB2 SER A 57 15.585 8.951 -20.038 1.00 65.11 H new ATOM 0 HB3 SER A 57 14.007 9.123 -19.295 1.00 65.11 H new ATOM 0 HG SER A 57 14.912 9.168 -17.353 1.00 54.20 H new ATOM 924 N ASP A 58 15.416 5.333 -17.898 1.00 13.51 N ATOM 925 CA ASP A 58 16.427 4.487 -17.198 1.00 41.44 C ATOM 926 C ASP A 58 16.189 3.024 -17.532 1.00 0.10 C ATOM 927 O ASP A 58 15.200 2.447 -17.123 1.00 70.34 O ATOM 928 CB ASP A 58 16.204 4.682 -15.692 1.00 4.30 C ATOM 929 CG ASP A 58 17.552 4.900 -15.003 1.00 43.32 C ATOM 930 OD1 ASP A 58 18.230 5.851 -15.357 1.00 23.22 O ATOM 931 OD2 ASP A 58 17.887 4.110 -14.135 1.00 75.51 O ATOM 0 H ASP A 58 14.445 5.128 -17.661 1.00 13.51 H new ATOM 0 HA ASP A 58 17.437 4.764 -17.500 1.00 41.44 H new ATOM 0 HB2 ASP A 58 15.551 5.537 -15.518 1.00 4.30 H new ATOM 0 HB3 ASP A 58 15.705 3.809 -15.271 1.00 4.30 H new ATOM 936 N GLU A 59 17.077 2.404 -18.247 1.00 13.55 N ATOM 937 CA GLU A 59 16.866 0.971 -18.556 1.00 62.52 C ATOM 938 C GLU A 59 16.480 0.245 -17.267 1.00 13.52 C ATOM 939 O GLU A 59 15.662 -0.655 -17.270 1.00 25.10 O ATOM 940 CB GLU A 59 18.209 0.464 -19.084 1.00 41.34 C ATOM 941 CG GLU A 59 17.989 -0.828 -19.874 1.00 22.32 C ATOM 942 CD GLU A 59 19.049 -0.945 -20.971 1.00 44.43 C ATOM 943 OE1 GLU A 59 20.161 -1.336 -20.654 1.00 35.02 O ATOM 944 OE2 GLU A 59 18.732 -0.642 -22.109 1.00 15.35 O ATOM 0 H GLU A 59 17.928 2.820 -18.626 1.00 13.55 H new ATOM 0 HA GLU A 59 16.073 0.805 -19.285 1.00 62.52 H new ATOM 0 HB2 GLU A 59 18.670 1.219 -19.721 1.00 41.34 H new ATOM 0 HB3 GLU A 59 18.894 0.284 -18.255 1.00 41.34 H new ATOM 0 HG2 GLU A 59 18.045 -1.688 -19.207 1.00 22.32 H new ATOM 0 HG3 GLU A 59 16.992 -0.831 -20.315 1.00 22.32 H new ATOM 951 N GLN A 60 17.044 0.652 -16.154 1.00 44.32 N ATOM 952 CA GLN A 60 16.702 -0.005 -14.869 1.00 73.30 C ATOM 953 C GLN A 60 15.389 0.550 -14.336 1.00 4.11 C ATOM 954 O GLN A 60 14.426 -0.171 -14.189 1.00 60.05 O ATOM 955 CB GLN A 60 17.854 0.318 -13.923 1.00 71.44 C ATOM 956 CG GLN A 60 18.346 -0.981 -13.283 1.00 23.53 C ATOM 957 CD GLN A 60 19.593 -0.700 -12.442 1.00 42.41 C ATOM 958 OE1 GLN A 60 19.530 0.012 -11.460 1.00 13.31 O ATOM 959 NE2 GLN A 60 20.732 -1.233 -12.789 1.00 43.21 N ATOM 0 H GLN A 60 17.724 1.410 -16.088 1.00 44.32 H new ATOM 0 HA GLN A 60 16.572 -1.082 -14.979 1.00 73.30 H new ATOM 0 HB2 GLN A 60 18.665 0.801 -14.468 1.00 71.44 H new ATOM 0 HB3 GLN A 60 17.526 1.017 -13.154 1.00 71.44 H new ATOM 0 HG2 GLN A 60 17.563 -1.409 -12.658 1.00 23.53 H new ATOM 0 HG3 GLN A 60 18.574 -1.715 -14.056 1.00 23.53 H new ATOM 0 HE21 GLN A 60 20.785 -1.831 -13.614 1.00 43.21 H new ATOM 0 HE22 GLN A 60 21.569 -1.052 -12.236 1.00 43.21 H new ATOM 968 N ARG A 61 15.316 1.817 -14.041 1.00 24.51 N ATOM 969 CA ARG A 61 14.023 2.323 -13.530 1.00 51.40 C ATOM 970 C ARG A 61 12.921 1.982 -14.539 1.00 52.41 C ATOM 971 O ARG A 61 11.921 1.442 -14.154 1.00 51.23 O ATOM 972 CB ARG A 61 14.167 3.826 -13.275 1.00 22.51 C ATOM 973 CG ARG A 61 15.061 4.039 -12.099 1.00 25.13 C ATOM 974 CD ARG A 61 15.432 5.512 -12.015 1.00 23.44 C ATOM 975 NE ARG A 61 15.120 5.911 -10.616 1.00 12.13 N ATOM 976 CZ ARG A 61 16.065 5.929 -9.717 1.00 54.55 C ATOM 977 NH1 ARG A 61 17.031 5.053 -9.767 1.00 52.12 N ATOM 978 NH2 ARG A 61 16.044 6.826 -8.768 1.00 53.41 N ATOM 0 H ARG A 61 16.069 2.500 -14.128 1.00 24.51 H new ATOM 0 HA ARG A 61 13.743 1.853 -12.587 1.00 51.40 H new ATOM 0 HB2 ARG A 61 14.580 4.319 -14.155 1.00 22.51 H new ATOM 0 HB3 ARG A 61 13.189 4.271 -13.090 1.00 22.51 H new ATOM 0 HG2 ARG A 61 14.559 3.725 -11.184 1.00 25.13 H new ATOM 0 HG3 ARG A 61 15.960 3.430 -12.195 1.00 25.13 H new ATOM 0 HD2 ARG A 61 16.487 5.667 -12.243 1.00 23.44 H new ATOM 0 HD3 ARG A 61 14.861 6.104 -12.730 1.00 23.44 H new ATOM 0 HE ARG A 61 14.167 6.170 -10.360 1.00 12.13 H new ATOM 0 HH11 ARG A 61 17.047 4.354 -10.509 1.00 52.12 H new ATOM 0 HH12 ARG A 61 17.770 5.068 -9.064 1.00 52.12 H new ATOM 0 HH21 ARG A 61 15.289 7.511 -8.731 1.00 53.41 H new ATOM 0 HH22 ARG A 61 16.782 6.841 -8.064 1.00 53.41 H new ATOM 992 N ARG A 62 13.058 2.225 -15.826 1.00 44.10 N ATOM 993 CA ARG A 62 11.922 1.782 -16.694 1.00 31.12 C ATOM 994 C ARG A 62 11.776 0.288 -16.465 1.00 55.15 C ATOM 995 O ARG A 62 10.703 -0.211 -16.292 1.00 75.11 O ATOM 996 CB ARG A 62 12.238 1.993 -18.168 1.00 74.13 C ATOM 997 CG ARG A 62 10.906 2.157 -18.898 1.00 4.23 C ATOM 998 CD ARG A 62 11.150 2.027 -20.403 1.00 60.11 C ATOM 999 NE ARG A 62 11.660 0.641 -20.596 1.00 1.13 N ATOM 1000 CZ ARG A 62 10.859 -0.297 -21.023 1.00 55.24 C ATOM 1001 NH1 ARG A 62 10.029 -0.052 -22.001 1.00 23.45 N ATOM 1002 NH2 ARG A 62 10.888 -1.479 -20.473 1.00 23.12 N ATOM 0 H ARG A 62 13.848 2.678 -16.285 1.00 44.10 H new ATOM 0 HA ARG A 62 11.024 2.349 -16.449 1.00 31.12 H new ATOM 0 HB2 ARG A 62 12.863 2.876 -18.305 1.00 74.13 H new ATOM 0 HB3 ARG A 62 12.793 1.144 -18.567 1.00 74.13 H new ATOM 0 HG2 ARG A 62 10.197 1.400 -18.564 1.00 4.23 H new ATOM 0 HG3 ARG A 62 10.467 3.128 -18.669 1.00 4.23 H new ATOM 0 HD2 ARG A 62 10.232 2.191 -20.967 1.00 60.11 H new ATOM 0 HD3 ARG A 62 11.873 2.765 -20.750 1.00 60.11 H new ATOM 0 HE ARG A 62 12.636 0.425 -20.394 1.00 1.13 H new ATOM 0 HH11 ARG A 62 10.007 0.872 -22.431 1.00 23.45 H new ATOM 0 HH12 ARG A 62 9.403 -0.785 -22.335 1.00 23.45 H new ATOM 0 HH21 ARG A 62 11.536 -1.670 -19.709 1.00 23.12 H new ATOM 0 HH22 ARG A 62 10.262 -2.212 -20.806 1.00 23.12 H new ATOM 1016 N ALA A 63 12.873 -0.439 -16.456 1.00 35.33 N ATOM 1017 CA ALA A 63 12.776 -1.908 -16.222 1.00 75.21 C ATOM 1018 C ALA A 63 12.007 -2.156 -14.931 1.00 4.12 C ATOM 1019 O ALA A 63 10.969 -2.779 -14.930 1.00 70.42 O ATOM 1020 CB ALA A 63 14.214 -2.388 -16.066 1.00 74.24 C ATOM 0 H ALA A 63 13.817 -0.079 -16.599 1.00 35.33 H new ATOM 0 HA ALA A 63 12.262 -2.426 -17.031 1.00 75.21 H new ATOM 0 HB1 ALA A 63 14.221 -3.464 -15.890 1.00 74.24 H new ATOM 0 HB2 ALA A 63 14.773 -2.165 -16.975 1.00 74.24 H new ATOM 0 HB3 ALA A 63 14.678 -1.879 -15.221 1.00 74.24 H new ATOM 1026 N GLU A 64 12.492 -1.638 -13.835 1.00 61.14 N ATOM 1027 CA GLU A 64 11.766 -1.814 -12.558 1.00 63.34 C ATOM 1028 C GLU A 64 10.384 -1.198 -12.743 1.00 11.13 C ATOM 1029 O GLU A 64 9.370 -1.792 -12.420 1.00 5.53 O ATOM 1030 CB GLU A 64 12.624 -1.065 -11.517 1.00 31.14 C ATOM 1031 CG GLU A 64 11.800 -0.007 -10.777 1.00 11.30 C ATOM 1032 CD GLU A 64 12.461 0.310 -9.433 1.00 12.52 C ATOM 1033 OE1 GLU A 64 13.633 0.005 -9.285 1.00 52.43 O ATOM 1034 OE2 GLU A 64 11.783 0.852 -8.576 1.00 52.15 O ATOM 0 H GLU A 64 13.358 -1.103 -13.775 1.00 61.14 H new ATOM 0 HA GLU A 64 11.622 -2.847 -12.241 1.00 63.34 H new ATOM 0 HB2 GLU A 64 13.034 -1.777 -10.801 1.00 31.14 H new ATOM 0 HB3 GLU A 64 13.470 -0.589 -12.014 1.00 31.14 H new ATOM 0 HG2 GLU A 64 11.726 0.898 -11.380 1.00 11.30 H new ATOM 0 HG3 GLU A 64 10.784 -0.368 -10.618 1.00 11.30 H new ATOM 1041 N TYR A 65 10.340 -0.014 -13.291 1.00 65.45 N ATOM 1042 CA TYR A 65 9.037 0.628 -13.526 1.00 15.13 C ATOM 1043 C TYR A 65 8.155 -0.338 -14.286 1.00 32.15 C ATOM 1044 O TYR A 65 7.082 -0.705 -13.871 1.00 21.51 O ATOM 1045 CB TYR A 65 9.313 1.836 -14.432 1.00 14.03 C ATOM 1046 CG TYR A 65 8.012 2.454 -14.727 1.00 41.10 C ATOM 1047 CD1 TYR A 65 7.142 2.657 -13.677 1.00 14.13 C ATOM 1048 CD2 TYR A 65 7.657 2.822 -16.030 1.00 41.13 C ATOM 1049 CE1 TYR A 65 5.915 3.204 -13.906 1.00 50.33 C ATOM 1050 CE2 TYR A 65 6.413 3.392 -16.257 1.00 34.21 C ATOM 1051 CZ TYR A 65 5.533 3.580 -15.194 1.00 43.12 C ATOM 1052 OH TYR A 65 4.283 4.105 -15.426 1.00 12.13 O ATOM 0 H TYR A 65 11.154 0.527 -13.582 1.00 65.45 H new ATOM 0 HA TYR A 65 8.554 0.916 -12.592 1.00 15.13 H new ATOM 0 HB2 TYR A 65 9.975 2.547 -13.937 1.00 14.03 H new ATOM 0 HB3 TYR A 65 9.810 1.524 -15.351 1.00 14.03 H new ATOM 0 HD1 TYR A 65 7.433 2.383 -12.674 1.00 14.13 H new ATOM 0 HD2 TYR A 65 8.343 2.664 -16.849 1.00 41.13 H new ATOM 0 HE1 TYR A 65 5.232 3.348 -13.082 1.00 50.33 H new ATOM 0 HE2 TYR A 65 6.128 3.689 -17.255 1.00 34.21 H new ATOM 0 HH TYR A 65 3.674 3.389 -15.702 1.00 12.13 H new ATOM 1062 N ASP A 66 8.634 -0.764 -15.398 1.00 22.24 N ATOM 1063 CA ASP A 66 7.852 -1.731 -16.219 1.00 34.45 C ATOM 1064 C ASP A 66 7.675 -3.034 -15.438 1.00 53.55 C ATOM 1065 O ASP A 66 6.668 -3.705 -15.545 1.00 14.02 O ATOM 1066 CB ASP A 66 8.676 -1.978 -17.486 1.00 53.24 C ATOM 1067 CG ASP A 66 8.061 -1.208 -18.656 1.00 51.04 C ATOM 1068 OD1 ASP A 66 7.083 -1.688 -19.206 1.00 72.43 O ATOM 1069 OD2 ASP A 66 8.578 -0.153 -18.982 1.00 3.12 O ATOM 0 H ASP A 66 9.536 -0.491 -15.788 1.00 22.24 H new ATOM 0 HA ASP A 66 6.861 -1.350 -16.464 1.00 34.45 H new ATOM 0 HB2 ASP A 66 9.707 -1.660 -17.330 1.00 53.24 H new ATOM 0 HB3 ASP A 66 8.703 -3.044 -17.713 1.00 53.24 H new ATOM 1074 N GLN A 67 8.650 -3.388 -14.644 1.00 14.13 N ATOM 1075 CA GLN A 67 8.548 -4.643 -13.848 1.00 4.41 C ATOM 1076 C GLN A 67 7.262 -4.631 -13.029 1.00 3.55 C ATOM 1077 O GLN A 67 6.497 -5.575 -13.041 1.00 11.05 O ATOM 1078 CB GLN A 67 9.767 -4.633 -12.927 1.00 11.32 C ATOM 1079 CG GLN A 67 10.176 -6.072 -12.609 1.00 31.34 C ATOM 1080 CD GLN A 67 9.993 -6.337 -11.114 1.00 53.51 C ATOM 1081 OE1 GLN A 67 9.213 -7.183 -10.725 1.00 54.52 O ATOM 1082 NE2 GLN A 67 10.686 -5.643 -10.253 1.00 71.43 N ATOM 0 H GLN A 67 9.513 -2.861 -14.513 1.00 14.13 H new ATOM 0 HA GLN A 67 8.524 -5.533 -14.477 1.00 4.41 H new ATOM 0 HB2 GLN A 67 10.593 -4.106 -13.405 1.00 11.32 H new ATOM 0 HB3 GLN A 67 9.536 -4.097 -12.006 1.00 11.32 H new ATOM 0 HG2 GLN A 67 9.572 -6.769 -13.189 1.00 31.34 H new ATOM 0 HG3 GLN A 67 11.215 -6.237 -12.894 1.00 31.34 H new ATOM 0 HE21 GLN A 67 11.341 -4.933 -10.580 1.00 71.43 H new ATOM 0 HE22 GLN A 67 10.573 -5.811 -9.253 1.00 71.43 H new ATOM 1091 N MET A 68 7.007 -3.561 -12.330 1.00 73.35 N ATOM 1092 CA MET A 68 5.745 -3.501 -11.526 1.00 24.43 C ATOM 1093 C MET A 68 4.567 -3.287 -12.477 1.00 14.35 C ATOM 1094 O MET A 68 3.491 -3.815 -12.280 1.00 31.54 O ATOM 1095 CB MET A 68 5.845 -2.323 -10.523 1.00 1.51 C ATOM 1096 CG MET A 68 7.169 -1.556 -10.646 1.00 55.22 C ATOM 1097 SD MET A 68 7.213 -0.217 -9.425 1.00 73.34 S ATOM 1098 CE MET A 68 7.009 1.156 -10.587 1.00 22.01 C ATOM 0 H MET A 68 7.604 -2.736 -12.277 1.00 73.35 H new ATOM 0 HA MET A 68 5.597 -4.429 -10.973 1.00 24.43 H new ATOM 0 HB2 MET A 68 5.015 -1.637 -10.690 1.00 1.51 H new ATOM 0 HB3 MET A 68 5.744 -2.705 -9.507 1.00 1.51 H new ATOM 0 HG2 MET A 68 8.009 -2.233 -10.489 1.00 55.22 H new ATOM 0 HG3 MET A 68 7.272 -1.148 -11.652 1.00 55.22 H new ATOM 0 HE1 MET A 68 7.916 1.760 -10.599 1.00 22.01 H new ATOM 0 HE2 MET A 68 6.822 0.762 -11.586 1.00 22.01 H new ATOM 0 HE3 MET A 68 6.166 1.773 -10.276 1.00 22.01 H new ATOM 1108 N TRP A 69 4.765 -2.513 -13.510 1.00 33.41 N ATOM 1109 CA TRP A 69 3.657 -2.264 -14.479 1.00 44.30 C ATOM 1110 C TRP A 69 3.291 -3.558 -15.244 1.00 31.51 C ATOM 1111 O TRP A 69 2.710 -4.464 -14.680 1.00 62.13 O ATOM 1112 CB TRP A 69 4.194 -1.164 -15.405 1.00 43.51 C ATOM 1113 CG TRP A 69 3.090 -0.212 -15.774 1.00 12.14 C ATOM 1114 CD1 TRP A 69 3.235 1.131 -15.844 1.00 42.32 C ATOM 1115 CD2 TRP A 69 1.693 -0.487 -16.116 1.00 62.50 C ATOM 1116 NE1 TRP A 69 2.028 1.698 -16.205 1.00 12.51 N ATOM 1117 CE2 TRP A 69 1.048 0.746 -16.386 1.00 33.11 C ATOM 1118 CE3 TRP A 69 0.928 -1.664 -16.222 1.00 4.43 C ATOM 1119 CZ2 TRP A 69 -0.300 0.806 -16.744 1.00 70.24 C ATOM 1120 CZ3 TRP A 69 -0.428 -1.606 -16.581 1.00 51.34 C ATOM 1121 CH2 TRP A 69 -1.040 -0.373 -16.842 1.00 3.13 C ATOM 0 H TRP A 69 5.644 -2.043 -13.725 1.00 33.41 H new ATOM 0 HA TRP A 69 2.732 -1.954 -13.994 1.00 44.30 H new ATOM 0 HB2 TRP A 69 5.000 -0.623 -14.910 1.00 43.51 H new ATOM 0 HB3 TRP A 69 4.616 -1.610 -16.306 1.00 43.51 H new ATOM 0 HD1 TRP A 69 4.148 1.673 -15.649 1.00 42.32 H new ATOM 0 HE1 TRP A 69 1.880 2.700 -16.323 1.00 12.51 H new ATOM 0 HE3 TRP A 69 1.389 -2.621 -16.025 1.00 4.43 H new ATOM 0 HZ2 TRP A 69 -0.767 1.759 -16.944 1.00 70.24 H new ATOM 0 HZ3 TRP A 69 -1.003 -2.517 -16.656 1.00 51.34 H new ATOM 0 HH2 TRP A 69 -2.083 -0.335 -17.119 1.00 3.13 H new