USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 429 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 7 TYR OH : rot -173:sc= -5! USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= -2.34 (180deg=-2.47) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0536) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 77:sc= -1.13! USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -2.55! (180deg=-5.25!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0458 (180deg=-0.348) USER MOD Single : A 42 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.011) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 0.312 (180deg=0.00623) USER MOD Single : A 51 TYR OH : rot -119:sc= 0.366 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.687 9.699 9.872 1.00 8.06 N ATOM 2 CA GLY A 1 -19.367 9.228 10.378 1.00 7.57 C ATOM 3 C GLY A 1 -18.906 7.952 9.701 1.00 6.85 C ATOM 4 O GLY A 1 -19.680 7.006 9.552 1.00 7.15 O ATOM 0 H1 GLY A 1 -20.956 10.573 10.366 1.00 8.06 H new ATOM 0 H2 GLY A 1 -20.621 9.885 8.851 1.00 8.06 H new ATOM 0 H3 GLY A 1 -21.406 8.968 10.045 1.00 8.06 H new ATOM 0 HA2 GLY A 1 -18.622 10.008 10.221 1.00 7.57 H new ATOM 0 HA3 GLY A 1 -19.432 9.062 11.453 1.00 7.57 H new ATOM 10 N SER A 2 -17.643 7.926 9.290 1.00 6.18 N ATOM 11 CA SER A 2 -17.077 6.758 8.626 1.00 5.72 C ATOM 12 C SER A 2 -17.793 6.471 7.309 1.00 4.72 C ATOM 13 O SER A 2 -19.020 6.446 7.260 1.00 4.80 O ATOM 14 CB SER A 2 -17.162 5.536 9.542 1.00 6.23 C ATOM 15 OG SER A 2 -16.640 4.383 8.905 1.00 6.61 O ATOM 0 H SER A 2 -16.991 8.702 9.405 1.00 6.18 H new ATOM 0 HA SER A 2 -16.031 6.971 8.407 1.00 5.72 H new ATOM 0 HB2 SER A 2 -16.610 5.728 10.462 1.00 6.23 H new ATOM 0 HB3 SER A 2 -18.200 5.361 9.824 1.00 6.23 H new ATOM 0 HG SER A 2 -16.704 3.616 9.512 1.00 6.61 H new ATOM 21 N GLN A 3 -17.001 6.252 6.257 1.00 4.14 N ATOM 22 CA GLN A 3 -17.510 5.953 4.912 1.00 3.35 C ATOM 23 C GLN A 3 -18.588 6.940 4.465 1.00 2.59 C ATOM 24 O GLN A 3 -19.661 7.025 5.061 1.00 2.90 O ATOM 25 CB GLN A 3 -18.047 4.518 4.838 1.00 3.86 C ATOM 26 CG GLN A 3 -19.176 4.219 5.815 1.00 4.58 C ATOM 27 CD GLN A 3 -19.769 2.818 5.674 1.00 5.22 C ATOM 28 OE1 GLN A 3 -19.216 1.986 4.789 1.00 5.66 O flip ATOM 29 NE2 GLN A 3 -20.726 2.481 6.371 1.00 5.68 N flip ATOM 0 H GLN A 3 -15.983 6.277 6.312 1.00 4.14 H new ATOM 0 HA GLN A 3 -16.667 6.055 4.228 1.00 3.35 H new ATOM 0 HB2 GLN A 3 -18.399 4.326 3.824 1.00 3.86 H new ATOM 0 HB3 GLN A 3 -17.227 3.826 5.026 1.00 3.86 H new ATOM 0 HG2 GLN A 3 -18.804 4.344 6.832 1.00 4.58 H new ATOM 0 HG3 GLN A 3 -19.969 4.953 5.673 1.00 4.58 H new ATOM 0 HE21 GLN A 3 -21.127 3.139 7.039 1.00 5.68 H new ATOM 0 HE22 GLN A 3 -21.118 1.544 6.281 1.00 5.68 H new ATOM 38 N VAL A 4 -18.311 7.672 3.386 1.00 1.80 N ATOM 39 CA VAL A 4 -19.278 8.623 2.866 1.00 1.52 C ATOM 40 C VAL A 4 -20.524 7.898 2.356 1.00 1.35 C ATOM 41 O VAL A 4 -21.517 7.766 3.074 1.00 1.75 O ATOM 42 CB VAL A 4 -18.658 9.500 1.746 1.00 1.48 C ATOM 43 CG1 VAL A 4 -19.724 10.312 1.017 1.00 2.08 C ATOM 44 CG2 VAL A 4 -17.616 10.426 2.345 1.00 1.97 C ATOM 0 H VAL A 4 -17.436 7.622 2.865 1.00 1.80 H new ATOM 0 HA VAL A 4 -19.571 9.283 3.682 1.00 1.52 H new ATOM 0 HB VAL A 4 -18.188 8.840 1.017 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -19.254 10.914 0.240 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -20.449 9.636 0.564 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -20.231 10.966 1.726 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -17.181 11.042 1.558 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -18.085 11.068 3.090 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -16.832 9.834 2.818 1.00 1.97 H new ATOM 54 N PHE A 5 -20.458 7.429 1.114 1.00 1.32 N ATOM 55 CA PHE A 5 -21.558 6.727 0.524 1.00 1.88 C ATOM 56 C PHE A 5 -21.814 5.451 1.337 1.00 1.68 C ATOM 57 O PHE A 5 -21.568 5.405 2.543 1.00 1.78 O ATOM 58 CB PHE A 5 -21.233 6.428 -0.948 1.00 2.50 C ATOM 59 CG PHE A 5 -22.442 6.298 -1.836 1.00 2.99 C ATOM 60 CD1 PHE A 5 -23.517 7.161 -1.691 1.00 3.34 C ATOM 61 CD2 PHE A 5 -22.504 5.318 -2.815 1.00 3.37 C ATOM 62 CE1 PHE A 5 -24.629 7.050 -2.503 1.00 4.01 C ATOM 63 CE2 PHE A 5 -23.614 5.202 -3.630 1.00 3.96 C ATOM 64 CZ PHE A 5 -24.672 6.046 -3.478 1.00 4.27 C ATOM 0 H PHE A 5 -19.645 7.530 0.507 1.00 1.32 H new ATOM 0 HA PHE A 5 -22.468 7.327 0.542 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -20.596 7.223 -1.336 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -20.657 5.504 -1.000 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -23.485 7.930 -0.933 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -21.675 4.637 -2.942 1.00 3.37 H new ATOM 0 HE1 PHE A 5 -25.458 7.732 -2.387 1.00 4.01 H new ATOM 0 HE2 PHE A 5 -23.643 4.437 -4.392 1.00 3.96 H new ATOM 0 HZ PHE A 5 -25.543 5.941 -4.108 1.00 4.27 H new ATOM 74 N GLU A 6 -22.289 4.421 0.656 1.00 1.60 N ATOM 75 CA GLU A 6 -22.559 3.155 1.276 1.00 1.52 C ATOM 76 C GLU A 6 -21.266 2.353 1.407 1.00 1.24 C ATOM 77 O GLU A 6 -21.068 1.603 2.362 1.00 1.24 O ATOM 78 CB GLU A 6 -23.586 2.414 0.446 1.00 1.66 C ATOM 79 CG GLU A 6 -23.075 2.001 -0.918 1.00 2.10 C ATOM 80 CD GLU A 6 -24.051 1.110 -1.664 1.00 2.44 C ATOM 81 OE1 GLU A 6 -24.373 0.020 -1.147 1.00 2.84 O ATOM 82 OE2 GLU A 6 -24.495 1.504 -2.763 1.00 2.75 O ATOM 0 H GLU A 6 -22.495 4.449 -0.343 1.00 1.60 H new ATOM 0 HA GLU A 6 -22.959 3.304 2.279 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -23.908 1.525 0.989 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -24.465 3.046 0.320 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -22.876 2.893 -1.512 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -22.126 1.477 -0.803 1.00 2.10 H new ATOM 89 N TYR A 7 -20.393 2.536 0.421 1.00 1.11 N ATOM 90 CA TYR A 7 -19.098 1.861 0.370 1.00 0.94 C ATOM 91 C TYR A 7 -19.248 0.349 0.486 1.00 0.89 C ATOM 92 O TYR A 7 -18.572 -0.302 1.283 1.00 1.24 O ATOM 93 CB TYR A 7 -18.149 2.401 1.445 1.00 1.04 C ATOM 94 CG TYR A 7 -17.035 3.272 0.890 1.00 0.98 C ATOM 95 CD1 TYR A 7 -16.448 2.991 -0.339 1.00 0.85 C ATOM 96 CD2 TYR A 7 -16.566 4.381 1.594 1.00 1.26 C ATOM 97 CE1 TYR A 7 -15.432 3.777 -0.845 1.00 1.02 C ATOM 98 CE2 TYR A 7 -15.557 5.175 1.088 1.00 1.37 C ATOM 99 CZ TYR A 7 -14.995 4.868 -0.127 1.00 1.27 C ATOM 100 OH TYR A 7 -13.972 5.640 -0.619 1.00 1.49 O ATOM 0 H TYR A 7 -20.563 3.159 -0.369 1.00 1.11 H new ATOM 0 HA TYR A 7 -18.660 2.074 -0.605 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -18.724 2.978 2.169 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -17.709 1.562 1.984 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -16.794 2.141 -0.909 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -17.000 4.623 2.553 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -14.983 3.538 -1.798 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -15.211 6.033 1.645 1.00 1.37 H new ATOM 0 HH TYR A 7 -13.708 6.301 0.054 1.00 1.49 H new ATOM 110 N ALA A 8 -20.120 -0.199 -0.346 1.00 0.77 N ATOM 111 CA ALA A 8 -20.363 -1.626 -0.398 1.00 0.72 C ATOM 112 C ALA A 8 -20.102 -2.072 -1.819 1.00 0.62 C ATOM 113 O ALA A 8 -20.964 -2.648 -2.483 1.00 0.69 O ATOM 114 CB ALA A 8 -21.784 -1.957 0.034 1.00 0.89 C ATOM 0 H ALA A 8 -20.680 0.340 -1.006 1.00 0.77 H new ATOM 0 HA ALA A 8 -19.703 -2.152 0.292 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -21.937 -3.035 -0.015 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -21.943 -1.614 1.056 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -22.491 -1.459 -0.629 1.00 0.89 H new ATOM 120 N GLU A 9 -18.893 -1.786 -2.273 1.00 0.57 N ATOM 121 CA GLU A 9 -18.477 -2.132 -3.606 1.00 0.59 C ATOM 122 C GLU A 9 -18.098 -3.596 -3.627 1.00 0.51 C ATOM 123 O GLU A 9 -18.322 -4.306 -4.607 1.00 0.56 O ATOM 124 CB GLU A 9 -17.324 -1.242 -4.096 1.00 0.71 C ATOM 125 CG GLU A 9 -16.672 -0.332 -3.057 1.00 0.64 C ATOM 126 CD GLU A 9 -16.173 0.956 -3.670 1.00 0.75 C ATOM 127 OE1 GLU A 9 -16.173 1.061 -4.914 1.00 1.19 O ATOM 128 OE2 GLU A 9 -15.829 1.879 -2.905 1.00 1.28 O ATOM 0 H GLU A 9 -18.179 -1.308 -1.723 1.00 0.57 H new ATOM 0 HA GLU A 9 -19.303 -1.960 -4.296 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -16.552 -1.886 -4.517 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -17.697 -0.619 -4.909 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -17.392 -0.105 -2.271 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -15.840 -0.856 -2.586 1.00 0.64 H new ATOM 135 N VAL A 10 -17.557 -4.033 -2.499 1.00 0.43 N ATOM 136 CA VAL A 10 -17.172 -5.410 -2.292 1.00 0.42 C ATOM 137 C VAL A 10 -16.395 -5.974 -3.458 1.00 0.46 C ATOM 138 O VAL A 10 -16.707 -7.048 -3.966 1.00 0.53 O ATOM 139 CB VAL A 10 -18.410 -6.249 -2.008 1.00 0.52 C ATOM 140 CG1 VAL A 10 -19.331 -6.334 -3.220 1.00 0.94 C ATOM 141 CG2 VAL A 10 -18.033 -7.631 -1.500 1.00 1.06 C ATOM 0 H VAL A 10 -17.374 -3.430 -1.697 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.504 -5.444 -1.431 1.00 0.42 H new ATOM 0 HB VAL A 10 -18.967 -5.744 -1.219 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -20.202 -6.942 -2.973 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -19.656 -5.332 -3.501 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.795 -6.789 -4.053 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -18.938 -8.207 -1.306 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -17.431 -8.143 -2.251 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -17.459 -7.536 -0.578 1.00 1.06 H new ATOM 151 N ASP A 11 -15.383 -5.222 -3.852 1.00 0.45 N ATOM 152 CA ASP A 11 -14.482 -5.566 -4.975 1.00 0.53 C ATOM 153 C ASP A 11 -13.870 -4.303 -5.621 1.00 0.54 C ATOM 154 O ASP A 11 -12.886 -4.385 -6.353 1.00 0.68 O ATOM 155 CB ASP A 11 -15.211 -6.373 -6.069 1.00 0.64 C ATOM 156 CG ASP A 11 -14.315 -6.732 -7.240 1.00 1.20 C ATOM 157 OD1 ASP A 11 -13.081 -6.599 -7.104 1.00 1.94 O ATOM 158 OD2 ASP A 11 -14.845 -7.114 -8.304 1.00 1.69 O ATOM 0 H ASP A 11 -15.147 -4.337 -3.403 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.687 -6.177 -4.547 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -15.611 -7.288 -5.632 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -16.061 -5.795 -6.433 1.00 0.64 H new ATOM 163 N GLU A 12 -14.506 -3.146 -5.413 1.00 0.49 N ATOM 164 CA GLU A 12 -14.066 -1.888 -6.061 1.00 0.54 C ATOM 165 C GLU A 12 -13.494 -0.852 -5.094 1.00 0.50 C ATOM 166 O GLU A 12 -13.978 0.266 -5.031 1.00 0.60 O ATOM 167 CB GLU A 12 -15.258 -1.259 -6.752 1.00 0.64 C ATOM 168 CG GLU A 12 -16.079 -2.236 -7.575 1.00 1.27 C ATOM 169 CD GLU A 12 -17.220 -1.563 -8.314 1.00 1.74 C ATOM 170 OE1 GLU A 12 -18.092 -0.970 -7.644 1.00 2.23 O ATOM 171 OE2 GLU A 12 -17.241 -1.626 -9.561 1.00 2.26 O ATOM 0 H GLU A 12 -15.321 -3.045 -4.808 1.00 0.49 H new ATOM 0 HA GLU A 12 -13.268 -2.163 -6.751 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -15.902 -0.802 -6.000 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -14.907 -0.457 -7.402 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -15.429 -2.735 -8.294 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -16.481 -3.009 -6.920 1.00 1.27 H new ATOM 178 N ILE A 13 -12.466 -1.225 -4.377 1.00 0.42 N ATOM 179 CA ILE A 13 -11.796 -0.352 -3.398 1.00 0.38 C ATOM 180 C ILE A 13 -12.769 0.497 -2.549 1.00 0.39 C ATOM 181 O ILE A 13 -13.538 1.299 -3.059 1.00 0.52 O ATOM 182 CB ILE A 13 -10.773 0.578 -4.095 1.00 0.48 C ATOM 183 CG1 ILE A 13 -11.457 1.788 -4.751 1.00 1.00 C ATOM 184 CG2 ILE A 13 -10.006 -0.199 -5.149 1.00 0.95 C ATOM 185 CD1 ILE A 13 -10.503 2.681 -5.504 1.00 1.56 C ATOM 0 H ILE A 13 -12.051 -2.154 -4.444 1.00 0.42 H new ATOM 0 HA ILE A 13 -11.283 -1.027 -2.713 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.090 0.948 -3.331 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -12.228 1.433 -5.435 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -11.960 2.373 -3.981 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -9.288 0.460 -5.636 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -9.477 -1.027 -4.677 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -10.702 -0.589 -5.892 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -11.053 3.514 -5.941 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -9.747 3.065 -4.819 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -10.019 2.110 -6.296 1.00 1.56 H new ATOM 197 N VAL A 14 -12.695 0.334 -1.235 1.00 0.33 N ATOM 198 CA VAL A 14 -13.536 1.084 -0.316 1.00 0.37 C ATOM 199 C VAL A 14 -12.686 2.010 0.548 1.00 0.37 C ATOM 200 O VAL A 14 -13.185 3.015 1.058 1.00 0.48 O ATOM 201 CB VAL A 14 -14.419 0.132 0.564 1.00 0.38 C ATOM 202 CG1 VAL A 14 -14.400 0.488 2.056 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.856 0.149 0.078 1.00 0.51 C ATOM 0 H VAL A 14 -12.055 -0.317 -0.780 1.00 0.33 H new ATOM 0 HA VAL A 14 -14.217 1.697 -0.905 1.00 0.37 H new ATOM 0 HB VAL A 14 -13.984 -0.862 0.457 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -15.031 -0.211 2.605 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -13.379 0.426 2.432 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -14.776 1.502 2.193 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -16.458 -0.516 0.698 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -16.251 1.163 0.145 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.894 -0.188 -0.958 1.00 0.51 H new ATOM 213 N GLU A 15 -11.413 1.667 0.744 1.00 0.28 N ATOM 214 CA GLU A 15 -10.574 2.505 1.589 1.00 0.30 C ATOM 215 C GLU A 15 -9.158 2.676 1.039 1.00 0.31 C ATOM 216 O GLU A 15 -8.872 2.306 -0.101 1.00 0.56 O ATOM 217 CB GLU A 15 -10.498 1.944 3.005 1.00 0.33 C ATOM 218 CG GLU A 15 -10.831 2.996 4.047 1.00 0.77 C ATOM 219 CD GLU A 15 -10.650 2.493 5.464 1.00 1.01 C ATOM 220 OE1 GLU A 15 -11.312 1.497 5.830 1.00 1.34 O ATOM 221 OE2 GLU A 15 -9.846 3.090 6.208 1.00 1.44 O ATOM 0 H GLU A 15 -10.957 0.847 0.345 1.00 0.28 H new ATOM 0 HA GLU A 15 -11.046 3.487 1.603 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -11.188 1.106 3.101 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -9.496 1.555 3.189 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -10.197 3.869 3.892 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -11.862 3.323 3.911 1.00 0.77 H new ATOM 228 N LYS A 16 -8.270 3.235 1.874 1.00 0.26 N ATOM 229 CA LYS A 16 -6.879 3.450 1.477 1.00 0.29 C ATOM 230 C LYS A 16 -6.046 4.030 2.627 1.00 0.47 C ATOM 231 O LYS A 16 -6.338 3.774 3.797 1.00 0.82 O ATOM 232 CB LYS A 16 -6.813 4.380 0.266 1.00 0.45 C ATOM 233 CG LYS A 16 -7.109 5.855 0.554 1.00 0.89 C ATOM 234 CD LYS A 16 -8.463 6.070 1.217 1.00 1.44 C ATOM 235 CE LYS A 16 -8.352 6.294 2.722 1.00 2.23 C ATOM 236 NZ LYS A 16 -7.539 7.499 3.056 1.00 3.04 N ATOM 0 H LYS A 16 -8.492 3.543 2.821 1.00 0.26 H new ATOM 0 HA LYS A 16 -6.458 2.480 1.213 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -5.819 4.306 -0.174 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -7.521 4.024 -0.483 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -6.327 6.258 1.198 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -7.074 6.416 -0.380 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -8.954 6.930 0.761 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -9.097 5.204 1.028 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -9.350 6.403 3.146 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -7.903 5.416 3.186 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -7.520 7.630 4.088 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -6.568 7.371 2.705 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -7.961 8.338 2.609 1.00 3.04 H new ATOM 250 N ARG A 17 -5.006 4.814 2.291 1.00 0.44 N ATOM 251 CA ARG A 17 -4.132 5.441 3.270 1.00 0.63 C ATOM 252 C ARG A 17 -3.042 4.463 3.680 1.00 1.08 C ATOM 253 O ARG A 17 -3.331 3.358 4.142 1.00 1.89 O ATOM 254 CB ARG A 17 -4.918 5.914 4.493 1.00 1.24 C ATOM 255 CG ARG A 17 -4.196 6.976 5.294 1.00 2.28 C ATOM 256 CD ARG A 17 -2.979 6.417 6.013 1.00 3.13 C ATOM 257 NE ARG A 17 -2.389 7.395 6.922 1.00 3.73 N ATOM 258 CZ ARG A 17 -1.301 7.162 7.650 1.00 4.40 C ATOM 259 NH1 ARG A 17 -0.674 5.998 7.548 1.00 4.67 N ATOM 260 NH2 ARG A 17 -0.834 8.092 8.472 1.00 5.19 N ATOM 0 H ARG A 17 -4.756 5.025 1.325 1.00 0.44 H new ATOM 0 HA ARG A 17 -3.675 6.319 2.815 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -5.882 6.306 4.168 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -5.123 5.059 5.137 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -3.886 7.783 4.630 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -4.881 7.409 6.023 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -3.265 5.527 6.573 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -2.234 6.107 5.280 1.00 3.13 H new ATOM 0 HE ARG A 17 -2.836 8.308 7.003 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -1.026 5.283 6.912 1.00 4.67 H new ATOM 0 HH12 ARG A 17 0.161 5.818 8.106 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -1.310 8.991 8.548 1.00 5.19 H new ATOM 0 HH22 ARG A 17 0.001 7.908 9.028 1.00 5.19 H new ATOM 274 N GLY A 18 -1.787 4.844 3.470 1.00 1.31 N ATOM 275 CA GLY A 18 -0.694 3.935 3.797 1.00 2.00 C ATOM 276 C GLY A 18 0.650 4.541 3.484 1.00 2.22 C ATOM 277 O GLY A 18 1.006 5.549 4.092 1.00 2.45 O ATOM 0 H GLY A 18 -1.506 5.747 3.087 1.00 1.31 H new ATOM 0 HA2 GLY A 18 -0.739 3.678 4.855 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -0.813 3.007 3.238 1.00 2.00 H new ATOM 281 N LYS A 19 1.400 3.991 2.537 1.00 2.48 N ATOM 282 CA LYS A 19 2.693 4.581 2.176 1.00 2.97 C ATOM 283 C LYS A 19 3.666 4.487 3.340 1.00 2.66 C ATOM 284 O LYS A 19 4.523 3.602 3.359 1.00 2.54 O ATOM 285 CB LYS A 19 2.480 6.043 1.768 1.00 3.46 C ATOM 286 CG LYS A 19 3.697 6.723 1.146 1.00 4.17 C ATOM 287 CD LYS A 19 4.852 6.851 2.126 1.00 4.98 C ATOM 288 CE LYS A 19 5.910 7.809 1.607 1.00 5.96 C ATOM 289 NZ LYS A 19 6.454 7.376 0.291 1.00 6.54 N ATOM 0 H LYS A 19 1.147 3.154 2.012 1.00 2.48 H new ATOM 0 HA LYS A 19 3.121 4.031 1.338 1.00 2.97 H new ATOM 0 HB2 LYS A 19 1.654 6.090 1.058 1.00 3.46 H new ATOM 0 HB3 LYS A 19 2.176 6.610 2.648 1.00 3.46 H new ATOM 0 HG2 LYS A 19 4.023 6.153 0.276 1.00 4.17 H new ATOM 0 HG3 LYS A 19 3.414 7.714 0.790 1.00 4.17 H new ATOM 0 HD2 LYS A 19 4.479 7.204 3.088 1.00 4.98 H new ATOM 0 HD3 LYS A 19 5.298 5.871 2.297 1.00 4.98 H new ATOM 0 HE2 LYS A 19 5.481 8.807 1.512 1.00 5.96 H new ATOM 0 HE3 LYS A 19 6.722 7.879 2.330 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 7.274 7.965 0.044 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 6.748 6.380 0.348 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 5.720 7.480 -0.439 1.00 6.54 H new ATOM 303 N GLY A 20 3.510 5.343 4.335 1.00 2.95 N ATOM 304 CA GLY A 20 4.367 5.243 5.487 1.00 3.08 C ATOM 305 C GLY A 20 4.076 3.960 6.245 1.00 2.93 C ATOM 306 O GLY A 20 4.858 3.539 7.098 1.00 3.38 O ATOM 0 H GLY A 20 2.818 6.091 4.364 1.00 2.95 H new ATOM 0 HA2 GLY A 20 5.411 5.261 5.175 1.00 3.08 H new ATOM 0 HA3 GLY A 20 4.214 6.103 6.139 1.00 3.08 H new ATOM 310 N LYS A 21 2.919 3.354 5.945 1.00 2.71 N ATOM 311 CA LYS A 21 2.488 2.138 6.610 1.00 2.99 C ATOM 312 C LYS A 21 1.699 1.222 5.659 1.00 2.67 C ATOM 313 O LYS A 21 0.717 0.607 6.062 1.00 3.19 O ATOM 314 CB LYS A 21 1.637 2.524 7.819 1.00 3.64 C ATOM 315 CG LYS A 21 1.085 1.340 8.605 1.00 4.42 C ATOM 316 CD LYS A 21 0.675 1.746 10.011 1.00 5.23 C ATOM 317 CE LYS A 21 -0.429 2.789 9.993 1.00 5.87 C ATOM 318 NZ LYS A 21 -0.843 3.180 11.370 1.00 6.40 N ATOM 0 H LYS A 21 2.267 3.697 5.239 1.00 2.71 H new ATOM 0 HA LYS A 21 3.365 1.577 6.933 1.00 2.99 H new ATOM 0 HB2 LYS A 21 2.237 3.141 8.488 1.00 3.64 H new ATOM 0 HB3 LYS A 21 0.804 3.139 7.480 1.00 3.64 H new ATOM 0 HG2 LYS A 21 0.225 0.923 8.080 1.00 4.42 H new ATOM 0 HG3 LYS A 21 1.838 0.554 8.657 1.00 4.42 H new ATOM 0 HD2 LYS A 21 0.337 0.867 10.560 1.00 5.23 H new ATOM 0 HD3 LYS A 21 1.540 2.141 10.543 1.00 5.23 H new ATOM 0 HE2 LYS A 21 -0.087 3.671 9.452 1.00 5.87 H new ATOM 0 HE3 LYS A 21 -1.290 2.397 9.452 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 -1.598 3.893 11.316 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 -1.193 2.343 11.878 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 -0.027 3.577 11.878 1.00 6.40 H new ATOM 332 N ASP A 22 2.128 1.129 4.398 1.00 2.05 N ATOM 333 CA ASP A 22 1.444 0.285 3.428 1.00 1.82 C ATOM 334 C ASP A 22 0.078 0.855 3.060 1.00 1.49 C ATOM 335 O ASP A 22 -0.839 0.931 3.879 1.00 1.91 O ATOM 336 CB ASP A 22 1.284 -1.132 3.980 1.00 2.35 C ATOM 337 CG ASP A 22 2.583 -1.691 4.532 1.00 2.77 C ATOM 338 OD1 ASP A 22 3.165 -1.053 5.434 1.00 3.13 O ATOM 339 OD2 ASP A 22 3.013 -2.766 4.069 1.00 3.28 O ATOM 0 H ASP A 22 2.940 1.625 4.031 1.00 2.05 H new ATOM 0 HA ASP A 22 2.054 0.254 2.525 1.00 1.82 H new ATOM 0 HB2 ASP A 22 0.530 -1.129 4.767 1.00 2.35 H new ATOM 0 HB3 ASP A 22 0.917 -1.787 3.190 1.00 2.35 H new ATOM 344 N VAL A 23 -0.022 1.248 1.798 1.00 0.98 N ATOM 345 CA VAL A 23 -1.232 1.819 1.219 1.00 0.77 C ATOM 346 C VAL A 23 -1.760 0.920 0.128 1.00 0.57 C ATOM 347 O VAL A 23 -1.030 0.091 -0.382 1.00 0.70 O ATOM 348 CB VAL A 23 -0.935 3.194 0.585 1.00 0.90 C ATOM 349 CG1 VAL A 23 0.110 3.069 -0.516 1.00 1.50 C ATOM 350 CG2 VAL A 23 -2.206 3.835 0.052 1.00 1.54 C ATOM 0 H VAL A 23 0.750 1.178 1.135 1.00 0.98 H new ATOM 0 HA VAL A 23 -1.964 1.924 2.020 1.00 0.77 H new ATOM 0 HB VAL A 23 -0.532 3.842 1.364 1.00 0.90 H new ATOM 0 HG11 VAL A 23 0.303 4.051 -0.948 1.00 1.50 H new ATOM 0 HG12 VAL A 23 1.034 2.669 -0.097 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -0.257 2.397 -1.292 1.00 1.50 H new ATOM 0 HG21 VAL A 23 -1.968 4.803 -0.389 1.00 1.54 H new ATOM 0 HG22 VAL A 23 -2.649 3.189 -0.706 1.00 1.54 H new ATOM 0 HG23 VAL A 23 -2.914 3.973 0.869 1.00 1.54 H new ATOM 360 N GLU A 24 -3.012 1.125 -0.239 1.00 0.53 N ATOM 361 CA GLU A 24 -3.659 0.388 -1.313 1.00 0.45 C ATOM 362 C GLU A 24 -5.114 0.781 -1.363 1.00 0.44 C ATOM 363 O GLU A 24 -5.595 1.564 -0.549 1.00 0.47 O ATOM 364 CB GLU A 24 -3.498 -1.147 -1.228 1.00 0.66 C ATOM 365 CG GLU A 24 -3.533 -1.802 -2.598 1.00 1.82 C ATOM 366 CD GLU A 24 -4.788 -2.587 -2.902 1.00 2.49 C ATOM 367 OE1 GLU A 24 -4.875 -3.742 -2.460 1.00 3.03 O ATOM 368 OE2 GLU A 24 -5.673 -2.048 -3.593 1.00 2.95 O ATOM 0 H GLU A 24 -3.617 1.816 0.205 1.00 0.53 H new ATOM 0 HA GLU A 24 -3.153 0.663 -2.238 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -2.555 -1.385 -0.737 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -4.294 -1.561 -0.608 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -3.415 -1.028 -3.357 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -2.676 -2.469 -2.687 1.00 1.82 H new ATOM 375 N TYR A 25 -5.779 0.276 -2.359 1.00 0.44 N ATOM 376 CA TYR A 25 -7.161 0.593 -2.602 1.00 0.46 C ATOM 377 C TYR A 25 -7.848 -0.710 -2.846 1.00 0.50 C ATOM 378 O TYR A 25 -7.924 -1.228 -3.957 1.00 0.76 O ATOM 379 CB TYR A 25 -7.230 1.620 -3.740 1.00 0.46 C ATOM 380 CG TYR A 25 -6.262 2.725 -3.414 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.903 2.525 -3.593 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.678 3.887 -2.807 1.00 0.48 C ATOM 383 CE1 TYR A 25 -3.985 3.451 -3.179 1.00 0.46 C ATOM 384 CE2 TYR A 25 -5.758 4.837 -2.408 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.412 4.610 -2.590 1.00 0.49 C ATOM 386 OH TYR A 25 -3.489 5.538 -2.169 1.00 0.67 O ATOM 0 H TYR A 25 -5.377 -0.374 -3.034 1.00 0.44 H new ATOM 0 HA TYR A 25 -7.676 1.072 -1.770 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -6.974 1.155 -4.692 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -8.241 2.014 -3.840 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -4.561 1.618 -4.070 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.731 4.058 -2.641 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -2.929 3.268 -3.316 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -6.094 5.757 -1.954 1.00 0.56 H new ATOM 0 HH TYR A 25 -3.148 6.034 -2.942 1.00 0.67 H new ATOM 396 N LEU A 26 -8.207 -1.286 -1.722 1.00 0.29 N ATOM 397 CA LEU A 26 -8.758 -2.597 -1.663 1.00 0.30 C ATOM 398 C LEU A 26 -9.242 -2.839 -0.244 1.00 0.25 C ATOM 399 O LEU A 26 -8.596 -3.515 0.548 1.00 0.35 O ATOM 400 CB LEU A 26 -7.642 -3.529 -2.102 1.00 0.43 C ATOM 401 CG LEU A 26 -7.792 -5.002 -1.764 1.00 0.86 C ATOM 402 CD1 LEU A 26 -8.978 -5.591 -2.488 1.00 1.45 C ATOM 403 CD2 LEU A 26 -6.540 -5.788 -2.123 1.00 1.65 C ATOM 0 H LEU A 26 -8.117 -0.837 -0.811 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.620 -2.756 -2.311 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -7.534 -3.440 -3.183 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -6.712 -3.174 -1.658 1.00 0.43 H new ATOM 0 HG LEU A 26 -7.948 -5.074 -0.688 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -9.071 -6.647 -2.235 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -9.885 -5.065 -2.189 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -8.836 -5.487 -3.564 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -6.684 -6.838 -1.867 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -6.348 -5.698 -3.192 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -5.690 -5.392 -1.567 1.00 1.65 H new ATOM 415 N VAL A 27 -10.371 -2.210 0.090 1.00 0.22 N ATOM 416 CA VAL A 27 -10.933 -2.304 1.429 1.00 0.23 C ATOM 417 C VAL A 27 -12.452 -2.449 1.378 1.00 0.22 C ATOM 418 O VAL A 27 -13.172 -1.836 2.158 1.00 0.33 O ATOM 419 CB VAL A 27 -10.627 -1.056 2.257 1.00 0.30 C ATOM 420 CG1 VAL A 27 -11.016 -1.270 3.712 1.00 0.39 C ATOM 421 CG2 VAL A 27 -9.171 -0.639 2.135 1.00 0.41 C ATOM 0 H VAL A 27 -10.911 -1.631 -0.553 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.477 -3.181 1.889 1.00 0.23 H new ATOM 0 HB VAL A 27 -11.228 -0.239 1.857 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -10.790 -0.371 4.285 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -12.083 -1.483 3.776 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -10.454 -2.110 4.119 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -8.996 0.252 2.739 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -8.530 -1.448 2.487 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.941 -0.421 1.092 1.00 0.41 H new ATOM 431 N ARG A 28 -12.918 -3.202 0.404 1.00 0.17 N ATOM 432 CA ARG A 28 -14.361 -3.363 0.153 1.00 0.23 C ATOM 433 C ARG A 28 -14.909 -4.801 0.157 1.00 0.29 C ATOM 434 O ARG A 28 -15.877 -5.122 0.848 1.00 0.51 O ATOM 435 CB ARG A 28 -14.682 -2.752 -1.220 1.00 0.30 C ATOM 436 CG ARG A 28 -13.490 -2.524 -2.177 1.00 0.32 C ATOM 437 CD ARG A 28 -12.682 -3.792 -2.523 1.00 0.44 C ATOM 438 NE ARG A 28 -11.514 -3.572 -3.357 1.00 0.66 N ATOM 439 CZ ARG A 28 -11.042 -4.470 -4.208 1.00 0.88 C ATOM 440 NH1 ARG A 28 -11.486 -5.717 -4.168 1.00 0.60 N ATOM 441 NH2 ARG A 28 -10.077 -4.142 -5.057 1.00 1.56 N ATOM 0 H ARG A 28 -12.323 -3.723 -0.240 1.00 0.17 H new ATOM 0 HA ARG A 28 -14.844 -2.864 0.993 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -15.401 -3.401 -1.721 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -15.176 -1.794 -1.058 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.865 -2.086 -3.102 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.817 -1.793 -1.728 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -12.362 -4.264 -1.594 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -13.342 -4.497 -3.028 1.00 0.44 H new ATOM 0 HE ARG A 28 -11.031 -2.677 -3.283 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -12.191 -5.985 -3.482 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -11.123 -6.409 -4.823 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -9.696 -3.196 -5.056 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -9.716 -4.836 -5.711 1.00 1.56 H new ATOM 455 N TRP A 29 -14.296 -5.621 -0.673 1.00 0.30 N ATOM 456 CA TRP A 29 -14.656 -6.991 -0.896 1.00 0.36 C ATOM 457 C TRP A 29 -14.925 -7.824 0.373 1.00 0.37 C ATOM 458 O TRP A 29 -16.076 -8.064 0.733 1.00 0.52 O ATOM 459 CB TRP A 29 -13.606 -7.619 -1.856 1.00 0.44 C ATOM 460 CG TRP A 29 -12.146 -7.658 -1.414 1.00 0.43 C ATOM 461 CD1 TRP A 29 -11.186 -8.477 -1.946 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.466 -6.880 -0.396 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.983 -8.281 -1.314 1.00 0.60 N ATOM 464 CE2 TRP A 29 -10.125 -7.306 -0.372 1.00 0.45 C ATOM 465 CE3 TRP A 29 -11.848 -5.879 0.503 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -9.186 -6.767 0.505 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -10.933 -5.359 1.361 1.00 0.47 C ATOM 468 CH2 TRP A 29 -9.614 -5.797 1.368 1.00 0.44 C ATOM 0 H TRP A 29 -13.496 -5.328 -1.233 1.00 0.30 H new ATOM 0 HA TRP A 29 -15.638 -7.006 -1.368 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.917 -8.643 -2.063 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -13.652 -7.075 -2.799 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -11.352 -9.179 -2.750 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -9.120 -8.785 -1.517 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -12.867 -5.521 0.515 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -8.159 -7.103 0.503 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.237 -4.588 2.053 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -8.915 -5.363 2.068 1.00 0.44 H new ATOM 479 N LYS A 30 -13.874 -8.301 0.996 1.00 0.35 N ATOM 480 CA LYS A 30 -13.978 -9.158 2.172 1.00 0.43 C ATOM 481 C LYS A 30 -13.982 -8.368 3.471 1.00 0.45 C ATOM 482 O LYS A 30 -14.759 -8.650 4.384 1.00 0.84 O ATOM 483 CB LYS A 30 -12.829 -10.167 2.191 1.00 0.52 C ATOM 484 CG LYS A 30 -12.883 -11.169 1.049 1.00 1.24 C ATOM 485 CD LYS A 30 -11.821 -12.253 1.185 1.00 1.88 C ATOM 486 CE LYS A 30 -10.415 -11.714 0.968 1.00 2.53 C ATOM 487 NZ LYS A 30 -9.980 -10.804 2.064 1.00 3.39 N ATOM 0 H LYS A 30 -12.915 -8.110 0.707 1.00 0.35 H new ATOM 0 HA LYS A 30 -14.933 -9.679 2.101 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -11.882 -9.629 2.147 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -12.845 -10.706 3.138 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -13.870 -11.631 1.019 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -12.747 -10.646 0.102 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -11.887 -12.701 2.177 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -12.019 -13.045 0.463 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -9.717 -12.548 0.893 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -10.376 -11.180 0.019 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -8.968 -10.950 2.255 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -10.140 -9.817 1.779 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -10.528 -11.009 2.924 1.00 3.39 H new ATOM 501 N ASP A 31 -13.071 -7.406 3.555 1.00 0.56 N ATOM 502 CA ASP A 31 -12.901 -6.581 4.749 1.00 0.58 C ATOM 503 C ASP A 31 -14.219 -6.274 5.456 1.00 0.89 C ATOM 504 O ASP A 31 -15.243 -6.009 4.827 1.00 1.45 O ATOM 505 CB ASP A 31 -12.200 -5.272 4.391 1.00 0.73 C ATOM 506 CG ASP A 31 -13.090 -4.337 3.597 1.00 1.49 C ATOM 507 OD1 ASP A 31 -13.479 -4.707 2.468 1.00 2.14 O ATOM 508 OD2 ASP A 31 -13.393 -3.233 4.097 1.00 2.01 O ATOM 0 H ASP A 31 -12.428 -7.174 2.798 1.00 0.56 H new ATOM 0 HA ASP A 31 -12.289 -7.161 5.440 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -11.879 -4.774 5.305 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -11.301 -5.490 3.814 1.00 0.73 H new ATOM 513 N GLY A 32 -14.155 -6.294 6.780 1.00 1.01 N ATOM 514 CA GLY A 32 -15.302 -5.998 7.613 1.00 1.34 C ATOM 515 C GLY A 32 -14.838 -5.523 8.970 1.00 1.55 C ATOM 516 O GLY A 32 -15.166 -4.417 9.402 1.00 1.78 O ATOM 0 H GLY A 32 -13.307 -6.516 7.302 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -15.919 -5.233 7.141 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -15.924 -6.887 7.721 1.00 1.34 H new ATOM 520 N GLY A 33 -14.034 -6.357 9.620 1.00 1.72 N ATOM 521 CA GLY A 33 -13.482 -6.005 10.910 1.00 2.06 C ATOM 522 C GLY A 33 -12.137 -5.316 10.757 1.00 1.90 C ATOM 523 O GLY A 33 -11.819 -4.373 11.482 1.00 2.08 O ATOM 0 H GLY A 33 -13.755 -7.274 9.272 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -14.173 -5.348 11.438 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -13.368 -6.903 11.518 1.00 2.06 H new ATOM 527 N ASP A 34 -11.348 -5.806 9.797 1.00 1.71 N ATOM 528 CA ASP A 34 -10.024 -5.259 9.517 1.00 1.59 C ATOM 529 C ASP A 34 -9.839 -5.057 8.016 1.00 1.24 C ATOM 530 O ASP A 34 -10.530 -5.680 7.211 1.00 1.42 O ATOM 531 CB ASP A 34 -8.926 -6.185 10.045 1.00 1.74 C ATOM 532 CG ASP A 34 -7.541 -5.607 9.821 1.00 2.18 C ATOM 533 OD1 ASP A 34 -7.261 -4.513 10.354 1.00 2.53 O ATOM 534 OD2 ASP A 34 -6.736 -6.251 9.116 1.00 2.74 O ATOM 0 H ASP A 34 -11.610 -6.588 9.197 1.00 1.71 H new ATOM 0 HA ASP A 34 -9.946 -4.297 10.024 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -9.079 -6.359 11.110 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -8.999 -7.154 9.550 1.00 1.74 H new ATOM 539 N CYS A 35 -8.901 -4.195 7.643 1.00 1.02 N ATOM 540 CA CYS A 35 -8.629 -3.929 6.233 1.00 0.90 C ATOM 541 C CYS A 35 -7.663 -4.966 5.658 1.00 0.76 C ATOM 542 O CYS A 35 -6.673 -5.319 6.298 1.00 0.96 O ATOM 543 CB CYS A 35 -8.052 -2.523 6.067 1.00 1.24 C ATOM 544 SG CYS A 35 -9.131 -1.208 6.679 1.00 1.85 S ATOM 0 H CYS A 35 -8.317 -3.669 8.293 1.00 1.02 H new ATOM 0 HA CYS A 35 -9.568 -3.997 5.684 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -7.098 -2.469 6.591 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -7.846 -2.348 5.011 1.00 1.24 H new ATOM 0 HG CYS A 35 -8.557 -0.056 6.497 1.00 1.85 H new ATOM 550 N GLU A 36 -7.946 -5.451 4.448 1.00 0.54 N ATOM 551 CA GLU A 36 -7.079 -6.445 3.807 1.00 0.50 C ATOM 552 C GLU A 36 -6.436 -5.889 2.541 1.00 0.41 C ATOM 553 O GLU A 36 -5.807 -6.623 1.780 1.00 0.54 O ATOM 554 CB GLU A 36 -7.860 -7.697 3.433 1.00 0.53 C ATOM 555 CG GLU A 36 -9.101 -7.945 4.278 1.00 0.65 C ATOM 556 CD GLU A 36 -8.781 -8.136 5.748 1.00 1.34 C ATOM 557 OE1 GLU A 36 -7.584 -8.093 6.105 1.00 2.09 O ATOM 558 OE2 GLU A 36 -9.726 -8.326 6.543 1.00 1.76 O ATOM 0 H GLU A 36 -8.759 -5.177 3.896 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.304 -6.695 4.532 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -8.157 -7.625 2.387 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -7.200 -8.560 3.518 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -9.786 -7.104 4.166 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -9.618 -8.829 3.905 1.00 0.65 H new ATOM 565 N TRP A 37 -6.589 -4.595 2.331 1.00 0.43 N ATOM 566 CA TRP A 37 -6.022 -3.927 1.176 1.00 0.45 C ATOM 567 C TRP A 37 -4.527 -4.313 1.029 1.00 0.52 C ATOM 568 O TRP A 37 -3.840 -4.536 2.027 1.00 0.93 O ATOM 569 CB TRP A 37 -6.225 -2.438 1.372 1.00 0.82 C ATOM 570 CG TRP A 37 -5.145 -1.754 2.132 1.00 0.51 C ATOM 571 CD1 TRP A 37 -4.391 -0.738 1.673 1.00 0.78 C ATOM 572 CD2 TRP A 37 -4.694 -2.037 3.462 1.00 0.85 C ATOM 573 NE1 TRP A 37 -3.484 -0.355 2.631 1.00 1.38 N ATOM 574 CE2 TRP A 37 -3.655 -1.141 3.739 1.00 1.36 C ATOM 575 CE3 TRP A 37 -5.065 -2.955 4.445 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -2.986 -1.142 4.956 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -4.400 -2.954 5.648 1.00 1.44 C ATOM 578 CH2 TRP A 37 -3.371 -2.054 5.895 1.00 1.83 C ATOM 0 H TRP A 37 -7.109 -3.979 2.956 1.00 0.43 H new ATOM 0 HA TRP A 37 -6.511 -4.231 0.250 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -6.316 -1.966 0.393 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -7.171 -2.280 1.891 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -4.485 -0.290 0.695 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -2.796 0.392 2.533 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -5.865 -3.658 4.263 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -2.186 -0.443 5.153 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -4.682 -3.663 6.412 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -2.866 -2.077 6.849 1.00 1.83 H new ATOM 589 N VAL A 38 -4.046 -4.426 -0.210 1.00 0.44 N ATOM 590 CA VAL A 38 -2.658 -4.828 -0.473 1.00 0.55 C ATOM 591 C VAL A 38 -1.695 -3.614 -0.600 1.00 0.56 C ATOM 592 O VAL A 38 -1.516 -2.875 0.368 1.00 1.64 O ATOM 593 CB VAL A 38 -2.584 -5.736 -1.722 1.00 0.99 C ATOM 594 CG1 VAL A 38 -1.188 -6.317 -1.890 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.620 -6.847 -1.631 1.00 1.37 C ATOM 0 H VAL A 38 -4.596 -4.245 -1.050 1.00 0.44 H new ATOM 0 HA VAL A 38 -2.320 -5.397 0.393 1.00 0.55 H new ATOM 0 HB VAL A 38 -2.803 -5.128 -2.600 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -1.162 -6.952 -2.776 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -0.468 -5.507 -2.003 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -0.932 -6.909 -1.011 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.556 -7.478 -2.517 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -3.431 -7.449 -0.742 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -4.617 -6.411 -1.568 1.00 1.37 H new ATOM 605 N LYS A 39 -1.092 -3.399 -1.788 1.00 0.48 N ATOM 606 CA LYS A 39 -0.183 -2.270 -2.022 1.00 0.37 C ATOM 607 C LYS A 39 -0.719 -1.378 -3.147 1.00 0.42 C ATOM 608 O LYS A 39 -0.954 -1.835 -4.265 1.00 1.01 O ATOM 609 CB LYS A 39 1.219 -2.769 -2.379 1.00 0.93 C ATOM 610 CG LYS A 39 1.857 -3.633 -1.305 1.00 1.70 C ATOM 611 CD LYS A 39 2.050 -2.860 -0.012 1.00 2.26 C ATOM 612 CE LYS A 39 2.770 -3.698 1.032 1.00 2.93 C ATOM 613 NZ LYS A 39 4.118 -4.128 0.568 1.00 3.46 N ATOM 0 H LYS A 39 -1.223 -4.000 -2.602 1.00 0.48 H new ATOM 0 HA LYS A 39 -0.123 -1.687 -1.103 1.00 0.37 H new ATOM 0 HB2 LYS A 39 1.166 -3.340 -3.306 1.00 0.93 H new ATOM 0 HB3 LYS A 39 1.862 -1.910 -2.570 1.00 0.93 H new ATOM 0 HG2 LYS A 39 1.231 -4.506 -1.119 1.00 1.70 H new ATOM 0 HG3 LYS A 39 2.820 -4.001 -1.657 1.00 1.70 H new ATOM 0 HD2 LYS A 39 2.621 -1.953 -0.210 1.00 2.26 H new ATOM 0 HD3 LYS A 39 1.080 -2.548 0.375 1.00 2.26 H new ATOM 0 HE2 LYS A 39 2.870 -3.123 1.953 1.00 2.93 H new ATOM 0 HE3 LYS A 39 2.170 -4.577 1.268 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 4.689 -4.423 1.386 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 4.020 -4.926 -0.091 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 4.588 -3.336 0.085 1.00 3.46 H new ATOM 627 N GLY A 40 -0.943 -0.114 -2.815 1.00 0.34 N ATOM 628 CA GLY A 40 -1.489 0.843 -3.748 1.00 0.25 C ATOM 629 C GLY A 40 -0.497 1.291 -4.779 1.00 0.40 C ATOM 630 O GLY A 40 -0.811 1.342 -5.969 1.00 0.49 O ATOM 0 H GLY A 40 -0.749 0.270 -1.890 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -2.351 0.402 -4.249 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.850 1.712 -3.198 1.00 0.25 H new ATOM 634 N VAL A 41 0.714 1.612 -4.332 1.00 0.54 N ATOM 635 CA VAL A 41 1.766 2.051 -5.245 1.00 0.73 C ATOM 636 C VAL A 41 1.794 1.138 -6.467 1.00 0.78 C ATOM 637 O VAL A 41 2.080 1.570 -7.584 1.00 0.95 O ATOM 638 CB VAL A 41 3.142 2.056 -4.553 1.00 0.90 C ATOM 639 CG1 VAL A 41 3.549 0.643 -4.161 1.00 1.46 C ATOM 640 CG2 VAL A 41 4.192 2.696 -5.448 1.00 1.53 C ATOM 0 H VAL A 41 0.990 1.577 -3.351 1.00 0.54 H new ATOM 0 HA VAL A 41 1.548 3.072 -5.557 1.00 0.73 H new ATOM 0 HB VAL A 41 3.067 2.652 -3.643 1.00 0.90 H new ATOM 0 HG11 VAL A 41 4.524 0.667 -3.674 1.00 1.46 H new ATOM 0 HG12 VAL A 41 2.810 0.229 -3.475 1.00 1.46 H new ATOM 0 HG13 VAL A 41 3.605 0.020 -5.053 1.00 1.46 H new ATOM 0 HG21 VAL A 41 5.156 2.689 -4.940 1.00 1.53 H new ATOM 0 HG22 VAL A 41 4.268 2.134 -6.379 1.00 1.53 H new ATOM 0 HG23 VAL A 41 3.905 3.724 -5.668 1.00 1.53 H new ATOM 650 N HIS A 42 1.433 -0.118 -6.235 1.00 0.68 N ATOM 651 CA HIS A 42 1.343 -1.105 -7.291 1.00 0.76 C ATOM 652 C HIS A 42 -0.093 -1.141 -7.811 1.00 0.71 C ATOM 653 O HIS A 42 -0.333 -1.287 -9.010 1.00 0.84 O ATOM 654 CB HIS A 42 1.759 -2.483 -6.770 1.00 0.78 C ATOM 655 CG HIS A 42 3.156 -2.523 -6.233 1.00 1.62 C ATOM 656 ND1 HIS A 42 4.264 -2.211 -6.992 1.00 2.42 N ATOM 657 CD2 HIS A 42 3.623 -2.843 -5.002 1.00 2.23 C ATOM 658 CE1 HIS A 42 5.352 -2.339 -6.252 1.00 3.43 C ATOM 659 NE2 HIS A 42 4.991 -2.720 -5.041 1.00 3.33 N ATOM 0 H HIS A 42 1.196 -0.475 -5.310 1.00 0.68 H new ATOM 0 HA HIS A 42 2.018 -0.835 -8.103 1.00 0.76 H new ATOM 0 HB2 HIS A 42 1.068 -2.789 -5.985 1.00 0.78 H new ATOM 0 HB3 HIS A 42 1.668 -3.210 -7.577 1.00 0.78 H new ATOM 0 HD2 HIS A 42 3.030 -3.139 -4.149 1.00 2.23 H new ATOM 0 HE1 HIS A 42 6.365 -2.162 -6.582 1.00 3.43 H new ATOM 0 HE2 HIS A 42 5.625 -2.895 -4.261 1.00 3.33 H new ATOM 668 N VAL A 43 -1.045 -0.995 -6.883 1.00 0.57 N ATOM 669 CA VAL A 43 -2.466 -0.996 -7.217 1.00 0.58 C ATOM 670 C VAL A 43 -2.972 0.422 -7.508 1.00 0.56 C ATOM 671 O VAL A 43 -4.038 0.819 -7.036 1.00 0.55 O ATOM 672 CB VAL A 43 -3.319 -1.624 -6.082 1.00 0.53 C ATOM 673 CG1 VAL A 43 -4.788 -1.667 -6.475 1.00 0.62 C ATOM 674 CG2 VAL A 43 -2.817 -3.022 -5.755 1.00 0.56 C ATOM 0 H VAL A 43 -0.851 -0.874 -5.889 1.00 0.57 H new ATOM 0 HA VAL A 43 -2.576 -1.604 -8.115 1.00 0.58 H new ATOM 0 HB VAL A 43 -3.220 -1.001 -5.193 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -5.368 -2.111 -5.666 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -5.144 -0.654 -6.664 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -4.906 -2.267 -7.377 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -3.425 -3.450 -4.958 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -2.888 -3.651 -6.642 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -1.778 -2.969 -5.430 1.00 0.56 H new ATOM 684 N ALA A 44 -2.205 1.188 -8.286 1.00 0.62 N ATOM 685 CA ALA A 44 -2.595 2.556 -8.626 1.00 0.63 C ATOM 686 C ALA A 44 -2.794 3.382 -7.374 1.00 0.50 C ATOM 687 O ALA A 44 -3.920 3.710 -6.998 1.00 0.51 O ATOM 688 CB ALA A 44 -3.854 2.559 -9.479 1.00 0.75 C ATOM 0 H ALA A 44 -1.318 0.887 -8.689 1.00 0.62 H new ATOM 0 HA ALA A 44 -1.790 3.006 -9.206 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -4.127 3.586 -9.721 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -3.671 2.006 -10.400 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -4.668 2.087 -8.928 1.00 0.75 H new ATOM 694 N GLU A 45 -1.689 3.700 -6.723 1.00 0.46 N ATOM 695 CA GLU A 45 -1.732 4.473 -5.498 1.00 0.37 C ATOM 696 C GLU A 45 -2.386 5.832 -5.693 1.00 0.35 C ATOM 697 O GLU A 45 -3.328 6.179 -4.982 1.00 0.39 O ATOM 698 CB GLU A 45 -0.320 4.615 -4.899 1.00 0.48 C ATOM 699 CG GLU A 45 -0.122 5.846 -4.013 1.00 0.57 C ATOM 700 CD GLU A 45 1.022 5.686 -3.032 1.00 0.76 C ATOM 701 OE1 GLU A 45 2.170 5.491 -3.484 1.00 1.21 O ATOM 702 OE2 GLU A 45 0.770 5.756 -1.810 1.00 1.28 O ATOM 0 H GLU A 45 -0.751 3.434 -7.024 1.00 0.46 H new ATOM 0 HA GLU A 45 -2.356 3.926 -4.791 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -0.097 3.723 -4.313 1.00 0.48 H new ATOM 0 HB3 GLU A 45 0.403 4.650 -5.714 1.00 0.48 H new ATOM 0 HG2 GLU A 45 0.065 6.715 -4.643 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -1.042 6.043 -3.462 1.00 0.57 H new ATOM 709 N ASP A 46 -1.877 6.609 -6.630 1.00 0.38 N ATOM 710 CA ASP A 46 -2.420 7.933 -6.859 1.00 0.43 C ATOM 711 C ASP A 46 -3.623 7.910 -7.804 1.00 0.45 C ATOM 712 O ASP A 46 -3.912 8.913 -8.456 1.00 0.67 O ATOM 713 CB ASP A 46 -1.339 8.858 -7.419 1.00 0.57 C ATOM 714 CG ASP A 46 -0.157 8.999 -6.482 1.00 1.40 C ATOM 715 OD1 ASP A 46 -0.355 9.461 -5.339 1.00 2.07 O ATOM 716 OD2 ASP A 46 0.970 8.644 -6.891 1.00 2.14 O ATOM 0 H ASP A 46 -1.099 6.351 -7.237 1.00 0.38 H new ATOM 0 HA ASP A 46 -2.764 8.310 -5.896 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -0.995 8.471 -8.378 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -1.769 9.842 -7.608 1.00 0.57 H new ATOM 721 N VAL A 47 -4.330 6.779 -7.888 1.00 0.35 N ATOM 722 CA VAL A 47 -5.486 6.696 -8.768 1.00 0.41 C ATOM 723 C VAL A 47 -6.762 6.425 -7.986 1.00 0.41 C ATOM 724 O VAL A 47 -7.831 6.925 -8.337 1.00 0.51 O ATOM 725 CB VAL A 47 -5.299 5.590 -9.826 1.00 0.50 C ATOM 726 CG1 VAL A 47 -6.511 5.513 -10.744 1.00 0.59 C ATOM 727 CG2 VAL A 47 -4.029 5.827 -10.628 1.00 0.56 C ATOM 0 H VAL A 47 -4.123 5.927 -7.366 1.00 0.35 H new ATOM 0 HA VAL A 47 -5.574 7.661 -9.266 1.00 0.41 H new ATOM 0 HB VAL A 47 -5.204 4.635 -9.310 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -6.358 4.726 -11.483 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -7.400 5.290 -10.155 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -6.643 6.468 -11.253 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -3.914 5.036 -11.370 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -4.092 6.791 -11.132 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -3.169 5.823 -9.958 1.00 0.56 H new ATOM 737 N ALA A 48 -6.652 5.620 -6.941 1.00 0.38 N ATOM 738 CA ALA A 48 -7.813 5.273 -6.133 1.00 0.44 C ATOM 739 C ALA A 48 -7.973 6.190 -4.921 1.00 0.39 C ATOM 740 O ALA A 48 -9.087 6.427 -4.456 1.00 0.46 O ATOM 741 CB ALA A 48 -7.713 3.825 -5.696 1.00 0.52 C ATOM 0 H ALA A 48 -5.777 5.196 -6.633 1.00 0.38 H new ATOM 0 HA ALA A 48 -8.701 5.410 -6.750 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -8.582 3.567 -5.091 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -7.678 3.181 -6.575 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -6.807 3.684 -5.107 1.00 0.52 H new ATOM 747 N LYS A 49 -6.857 6.682 -4.400 1.00 0.35 N ATOM 748 CA LYS A 49 -6.879 7.550 -3.225 1.00 0.41 C ATOM 749 C LYS A 49 -7.749 8.771 -3.419 1.00 0.43 C ATOM 750 O LYS A 49 -8.638 9.040 -2.616 1.00 0.59 O ATOM 751 CB LYS A 49 -5.453 7.975 -2.861 1.00 0.49 C ATOM 752 CG LYS A 49 -5.377 8.966 -1.711 1.00 1.19 C ATOM 753 CD LYS A 49 -3.940 9.352 -1.403 1.00 1.51 C ATOM 754 CE LYS A 49 -3.861 10.331 -0.240 1.00 1.95 C ATOM 755 NZ LYS A 49 -4.574 11.605 -0.535 1.00 2.65 N ATOM 0 H LYS A 49 -5.925 6.497 -4.770 1.00 0.35 H new ATOM 0 HA LYS A 49 -7.314 6.973 -2.409 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -4.876 7.088 -2.601 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -4.981 8.416 -3.739 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -5.949 9.859 -1.961 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.836 8.531 -0.823 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -3.365 8.457 -1.166 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -3.485 9.798 -2.287 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -4.291 9.872 0.650 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -2.816 10.544 -0.015 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -4.265 12.339 0.134 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -4.356 11.908 -1.506 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -5.599 11.459 -0.440 1.00 2.65 H new ATOM 769 N ASP A 50 -7.492 9.519 -4.472 1.00 0.41 N ATOM 770 CA ASP A 50 -8.257 10.725 -4.732 1.00 0.50 C ATOM 771 C ASP A 50 -9.755 10.487 -4.603 1.00 0.51 C ATOM 772 O ASP A 50 -10.500 11.358 -4.156 1.00 0.68 O ATOM 773 CB ASP A 50 -7.904 11.290 -6.103 1.00 0.58 C ATOM 774 CG ASP A 50 -6.510 11.885 -6.141 1.00 1.27 C ATOM 775 OD1 ASP A 50 -5.825 11.858 -5.097 1.00 1.69 O ATOM 776 OD2 ASP A 50 -6.105 12.377 -7.214 1.00 1.96 O ATOM 0 H ASP A 50 -6.765 9.317 -5.158 1.00 0.41 H new ATOM 0 HA ASP A 50 -7.988 11.460 -3.974 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -7.979 10.499 -6.849 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -8.630 12.055 -6.376 1.00 0.58 H new ATOM 781 N TYR A 51 -10.179 9.299 -4.975 1.00 0.51 N ATOM 782 CA TYR A 51 -11.576 8.918 -4.885 1.00 0.57 C ATOM 783 C TYR A 51 -11.992 8.675 -3.445 1.00 0.52 C ATOM 784 O TYR A 51 -12.977 9.221 -2.947 1.00 0.58 O ATOM 785 CB TYR A 51 -11.782 7.622 -5.653 1.00 0.66 C ATOM 786 CG TYR A 51 -13.016 6.831 -5.231 1.00 0.68 C ATOM 787 CD1 TYR A 51 -14.260 7.445 -5.131 1.00 1.08 C ATOM 788 CD2 TYR A 51 -12.922 5.488 -4.894 1.00 0.72 C ATOM 789 CE1 TYR A 51 -15.375 6.740 -4.714 1.00 1.16 C ATOM 790 CE2 TYR A 51 -14.032 4.775 -4.481 1.00 0.78 C ATOM 791 CZ TYR A 51 -15.256 5.404 -4.394 1.00 0.86 C ATOM 792 OH TYR A 51 -16.366 4.700 -3.980 1.00 0.99 O ATOM 0 H TYR A 51 -9.570 8.571 -5.347 1.00 0.51 H new ATOM 0 HA TYR A 51 -12.175 9.730 -5.298 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -11.858 7.851 -6.716 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -10.901 6.993 -5.525 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -14.357 8.491 -5.383 1.00 1.08 H new ATOM 0 HD2 TYR A 51 -11.965 4.991 -4.955 1.00 0.72 H new ATOM 0 HE1 TYR A 51 -16.333 7.233 -4.640 1.00 1.16 H new ATOM 0 HE2 TYR A 51 -13.941 3.729 -4.227 1.00 0.78 H new ATOM 0 HH TYR A 51 -16.217 4.357 -3.074 1.00 0.99 H new ATOM 802 N GLU A 52 -11.251 7.779 -2.828 1.00 0.49 N ATOM 803 CA GLU A 52 -11.524 7.338 -1.476 1.00 0.58 C ATOM 804 C GLU A 52 -11.163 8.417 -0.477 1.00 0.57 C ATOM 805 O GLU A 52 -12.014 8.950 0.234 1.00 0.66 O ATOM 806 CB GLU A 52 -10.711 6.074 -1.207 1.00 0.78 C ATOM 807 CG GLU A 52 -11.310 5.142 -0.173 1.00 1.39 C ATOM 808 CD GLU A 52 -11.788 5.861 1.076 1.00 2.19 C ATOM 809 OE1 GLU A 52 -11.016 6.668 1.632 1.00 2.76 O ATOM 810 OE2 GLU A 52 -12.930 5.604 1.507 1.00 2.81 O ATOM 0 H GLU A 52 -10.438 7.333 -3.253 1.00 0.49 H new ATOM 0 HA GLU A 52 -12.588 7.128 -1.368 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -10.594 5.528 -2.143 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -9.713 6.364 -0.880 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -12.148 4.606 -0.619 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -10.567 4.395 0.107 1.00 1.39 H new ATOM 817 N ASP A 53 -9.877 8.722 -0.449 1.00 0.57 N ATOM 818 CA ASP A 53 -9.305 9.736 0.431 1.00 0.66 C ATOM 819 C ASP A 53 -10.269 10.915 0.642 1.00 0.78 C ATOM 820 O ASP A 53 -10.471 11.374 1.766 1.00 0.99 O ATOM 821 CB ASP A 53 -7.969 10.205 -0.178 1.00 0.69 C ATOM 822 CG ASP A 53 -8.092 11.419 -1.091 1.00 1.27 C ATOM 823 OD1 ASP A 53 -8.905 11.367 -2.038 1.00 1.61 O ATOM 824 OD2 ASP A 53 -7.379 12.415 -0.856 1.00 2.12 O ATOM 0 H ASP A 53 -9.186 8.266 -1.046 1.00 0.57 H new ATOM 0 HA ASP A 53 -9.131 9.305 1.417 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -7.277 10.441 0.630 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -7.531 9.382 -0.743 1.00 0.69 H new ATOM 829 N GLY A 54 -10.857 11.390 -0.452 1.00 0.76 N ATOM 830 CA GLY A 54 -11.786 12.501 -0.380 1.00 0.99 C ATOM 831 C GLY A 54 -13.087 12.124 0.302 1.00 1.06 C ATOM 832 O GLY A 54 -13.567 12.846 1.176 1.00 1.27 O ATOM 0 H GLY A 54 -10.705 11.022 -1.391 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -11.321 13.325 0.161 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -11.998 12.860 -1.387 1.00 0.99 H new ATOM 836 N LEU A 55 -13.656 10.990 -0.093 1.00 0.96 N ATOM 837 CA LEU A 55 -14.905 10.524 0.498 1.00 1.08 C ATOM 838 C LEU A 55 -14.714 10.265 1.986 1.00 1.17 C ATOM 839 O LEU A 55 -15.070 11.094 2.823 1.00 1.46 O ATOM 840 CB LEU A 55 -15.402 9.252 -0.204 1.00 1.14 C ATOM 841 CG LEU A 55 -16.240 9.460 -1.477 1.00 1.50 C ATOM 842 CD1 LEU A 55 -17.527 10.209 -1.165 1.00 2.32 C ATOM 843 CD2 LEU A 55 -15.448 10.191 -2.555 1.00 2.04 C ATOM 0 H LEU A 55 -13.275 10.380 -0.816 1.00 0.96 H new ATOM 0 HA LEU A 55 -15.658 11.301 0.366 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -14.536 8.642 -0.460 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -15.997 8.679 0.507 1.00 1.14 H new ATOM 0 HG LEU A 55 -16.498 8.473 -1.861 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -18.101 10.343 -2.082 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -18.116 9.637 -0.448 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -17.287 11.184 -0.741 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -16.071 10.320 -3.440 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -15.141 11.168 -2.181 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -14.565 9.608 -2.816 1.00 2.04 H new ATOM 855 N GLU A 56 -14.137 9.114 2.309 1.00 1.14 N ATOM 856 CA GLU A 56 -13.880 8.747 3.696 1.00 1.35 C ATOM 857 C GLU A 56 -12.586 9.390 4.195 1.00 1.40 C ATOM 858 O GLU A 56 -11.691 8.707 4.689 1.00 1.53 O ATOM 859 CB GLU A 56 -13.803 7.225 3.838 1.00 1.50 C ATOM 860 CG GLU A 56 -13.655 6.746 5.275 1.00 2.03 C ATOM 861 CD GLU A 56 -13.766 5.240 5.401 1.00 2.47 C ATOM 862 OE1 GLU A 56 -13.962 4.571 4.366 1.00 2.88 O ATOM 863 OE2 GLU A 56 -13.658 4.730 6.537 1.00 2.96 O ATOM 0 H GLU A 56 -13.837 8.417 1.627 1.00 1.14 H new ATOM 0 HA GLU A 56 -14.705 9.116 4.306 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -14.703 6.784 3.409 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -12.959 6.858 3.254 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -12.690 7.069 5.664 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -14.421 7.216 5.892 1.00 2.03 H new ATOM 870 N TYR A 57 -12.490 10.708 4.056 1.00 1.40 N ATOM 871 CA TYR A 57 -11.302 11.434 4.488 1.00 1.54 C ATOM 872 C TYR A 57 -11.132 11.344 6.001 1.00 1.86 C ATOM 873 O TYR A 57 -10.851 10.232 6.499 1.00 2.28 O ATOM 874 CB TYR A 57 -11.390 12.899 4.057 1.00 1.67 C ATOM 875 CG TYR A 57 -10.174 13.715 4.435 1.00 2.04 C ATOM 876 CD1 TYR A 57 -8.892 13.223 4.225 1.00 2.75 C ATOM 877 CD2 TYR A 57 -10.309 14.976 5.002 1.00 2.29 C ATOM 878 CE1 TYR A 57 -7.778 13.965 4.569 1.00 3.60 C ATOM 879 CE2 TYR A 57 -9.200 15.724 5.348 1.00 3.06 C ATOM 880 CZ TYR A 57 -7.938 15.215 5.131 1.00 3.70 C ATOM 881 OH TYR A 57 -6.832 15.956 5.474 1.00 4.67 O ATOM 882 OXT TYR A 57 -11.281 12.384 6.677 1.00 2.26 O ATOM 0 H TYR A 57 -13.219 11.294 3.649 1.00 1.40 H new ATOM 0 HA TYR A 57 -10.433 10.976 4.015 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -11.526 12.944 2.976 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -12.274 13.349 4.508 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -8.764 12.245 3.786 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -11.296 15.378 5.175 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -6.788 13.569 4.399 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -9.322 16.703 5.787 1.00 3.06 H new ATOM 0 HH TYR A 57 -7.117 16.812 5.856 1.00 4.67 H new TER 892 TYR A 57