USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 565 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 NoAdj-H: A 37 HIS HE2 : A 37 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HE2 : A 41 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0882 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00368 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.31 F(o=-8.6!,f=-1.3) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -0.858 (180deg=-1.06) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 30 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= -0.2 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 130:sc= -0.128 USER MOD Single : A 42 THR OG1 : rot 29:sc= 0.865 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= -0.316 (180deg=-1.76!) USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= -0.0709 (180deg=-0.0896) USER MOD Single : A 58 GLN : amide:sc= -0.0659 K(o=-0.066,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -3.11! C(o=-3.9!,f=-3.1!) USER MOD Single : A 66 HIS : no HE2:sc= -0.0339 K(o=-0.034,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 37:sc= 0.413 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 10:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.970 26.760 -29.477 1.00 0.00 N ATOM 2 CA GLY A 1 9.822 26.427 -28.653 1.00 0.00 C ATOM 3 C GLY A 1 10.064 26.705 -27.182 1.00 0.00 C ATOM 4 O GLY A 1 11.182 27.027 -26.780 1.00 0.00 O ATOM 0 H1 GLY A 1 10.709 27.508 -30.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.746 27.095 -28.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.279 25.916 -30.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.958 27.000 -28.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.577 25.373 -28.785 1.00 0.00 H new ATOM 8 N SER A 2 9.013 26.582 -26.378 1.00 0.00 N ATOM 9 CA SER A 2 9.115 26.828 -24.944 1.00 0.00 C ATOM 10 C SER A 2 8.139 25.945 -24.171 1.00 0.00 C ATOM 11 O SER A 2 7.285 25.282 -24.759 1.00 0.00 O ATOM 12 CB SER A 2 8.841 28.301 -24.637 1.00 0.00 C ATOM 13 OG SER A 2 9.755 29.142 -25.319 1.00 0.00 O ATOM 0 H SER A 2 8.081 26.314 -26.695 1.00 0.00 H new ATOM 0 HA SER A 2 10.129 26.582 -24.629 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.822 28.553 -24.930 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.916 28.472 -23.563 1.00 0.00 H new ATOM 0 HG SER A 2 9.558 30.078 -25.108 1.00 0.00 H new ATOM 19 N SER A 3 8.273 25.944 -22.849 1.00 0.00 N ATOM 20 CA SER A 3 7.406 25.141 -21.994 1.00 0.00 C ATOM 21 C SER A 3 7.585 25.522 -20.528 1.00 0.00 C ATOM 22 O SER A 3 8.694 25.811 -20.081 1.00 0.00 O ATOM 23 CB SER A 3 7.703 23.652 -22.185 1.00 0.00 C ATOM 24 OG SER A 3 6.594 22.858 -21.802 1.00 0.00 O ATOM 0 H SER A 3 8.973 26.490 -22.347 1.00 0.00 H new ATOM 0 HA SER A 3 6.373 25.338 -22.279 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.950 23.458 -23.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.575 23.373 -21.594 1.00 0.00 H new ATOM 0 HG SER A 3 6.808 21.911 -21.935 1.00 0.00 H new ATOM 30 N GLY A 4 6.483 25.521 -19.783 1.00 0.00 N ATOM 31 CA GLY A 4 6.539 25.868 -18.375 1.00 0.00 C ATOM 32 C GLY A 4 6.253 24.683 -17.474 1.00 0.00 C ATOM 33 O GLY A 4 6.074 23.562 -17.949 1.00 0.00 O ATOM 0 H GLY A 4 5.553 25.286 -20.130 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.526 26.268 -18.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.818 26.659 -18.170 1.00 0.00 H new ATOM 37 N SER A 5 6.210 24.931 -16.169 1.00 0.00 N ATOM 38 CA SER A 5 5.949 23.875 -15.198 1.00 0.00 C ATOM 39 C SER A 5 5.085 24.392 -14.052 1.00 0.00 C ATOM 40 O SER A 5 5.159 25.564 -13.684 1.00 0.00 O ATOM 41 CB SER A 5 7.265 23.320 -14.650 1.00 0.00 C ATOM 42 OG SER A 5 8.101 24.363 -14.180 1.00 0.00 O ATOM 0 H SER A 5 6.353 25.854 -15.760 1.00 0.00 H new ATOM 0 HA SER A 5 5.409 23.075 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.059 22.621 -13.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.780 22.760 -15.430 1.00 0.00 H new ATOM 0 HG SER A 5 8.935 23.983 -13.833 1.00 0.00 H new ATOM 48 N SER A 6 4.267 23.507 -13.491 1.00 0.00 N ATOM 49 CA SER A 6 3.385 23.874 -12.389 1.00 0.00 C ATOM 50 C SER A 6 3.089 22.666 -11.505 1.00 0.00 C ATOM 51 O SER A 6 3.142 21.523 -11.959 1.00 0.00 O ATOM 52 CB SER A 6 2.078 24.460 -12.926 1.00 0.00 C ATOM 53 OG SER A 6 1.520 25.387 -12.011 1.00 0.00 O ATOM 0 H SER A 6 4.197 22.532 -13.781 1.00 0.00 H new ATOM 0 HA SER A 6 3.892 24.628 -11.787 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.262 24.953 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.366 23.656 -13.114 1.00 0.00 H new ATOM 0 HG SER A 6 0.686 25.748 -12.379 1.00 0.00 H new ATOM 59 N GLY A 7 2.776 22.928 -10.240 1.00 0.00 N ATOM 60 CA GLY A 7 2.476 21.853 -9.312 1.00 0.00 C ATOM 61 C GLY A 7 1.249 22.140 -8.470 1.00 0.00 C ATOM 62 O GLY A 7 0.377 22.909 -8.874 1.00 0.00 O ATOM 0 H GLY A 7 2.725 23.865 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.323 20.929 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.333 21.692 -8.657 1.00 0.00 H new ATOM 66 N ARG A 8 1.179 21.519 -7.297 1.00 0.00 N ATOM 67 CA ARG A 8 0.048 21.709 -6.397 1.00 0.00 C ATOM 68 C ARG A 8 0.495 22.363 -5.093 1.00 0.00 C ATOM 69 O ARG A 8 1.313 21.810 -4.359 1.00 0.00 O ATOM 70 CB ARG A 8 -0.628 20.369 -6.103 1.00 0.00 C ATOM 71 CG ARG A 8 -1.240 19.713 -7.330 1.00 0.00 C ATOM 72 CD ARG A 8 -1.945 18.413 -6.974 1.00 0.00 C ATOM 73 NE ARG A 8 -2.881 17.995 -8.014 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.503 17.540 -9.203 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.214 17.443 -9.501 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.414 17.179 -10.097 1.00 0.00 N ATOM 0 H ARG A 8 1.893 20.880 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.668 22.369 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.105 19.690 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.407 20.521 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.950 20.398 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.460 19.516 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.203 17.630 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.481 18.537 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.880 18.056 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.510 17.718 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.927 17.093 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.406 17.251 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.122 16.830 -11.010 1.00 0.00 H new ATOM 90 N SER A 9 -0.049 23.543 -4.812 1.00 0.00 N ATOM 91 CA SER A 9 0.297 24.274 -3.599 1.00 0.00 C ATOM 92 C SER A 9 -0.312 23.607 -2.370 1.00 0.00 C ATOM 93 O SER A 9 -1.533 23.560 -2.218 1.00 0.00 O ATOM 94 CB SER A 9 -0.184 25.723 -3.697 1.00 0.00 C ATOM 95 OG SER A 9 0.777 26.536 -4.348 1.00 0.00 O ATOM 0 H SER A 9 -0.731 24.013 -5.408 1.00 0.00 H new ATOM 0 HA SER A 9 1.382 24.264 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.127 25.761 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.379 26.113 -2.698 1.00 0.00 H new ATOM 0 HG SER A 9 0.445 27.457 -4.400 1.00 0.00 H new ATOM 101 N GLU A 10 0.547 23.092 -1.496 1.00 0.00 N ATOM 102 CA GLU A 10 0.094 22.426 -0.281 1.00 0.00 C ATOM 103 C GLU A 10 0.163 23.371 0.915 1.00 0.00 C ATOM 104 O GLU A 10 1.141 24.097 1.090 1.00 0.00 O ATOM 105 CB GLU A 10 0.939 21.179 -0.010 1.00 0.00 C ATOM 106 CG GLU A 10 0.877 20.148 -1.124 1.00 0.00 C ATOM 107 CD GLU A 10 -0.546 19.792 -1.511 1.00 0.00 C ATOM 108 OE1 GLU A 10 -1.167 20.568 -2.267 1.00 0.00 O ATOM 109 OE2 GLU A 10 -1.037 18.737 -1.058 1.00 0.00 O ATOM 0 H GLU A 10 1.560 23.123 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.944 22.127 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.976 21.479 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.604 20.718 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.402 20.532 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.400 19.245 -0.808 1.00 0.00 H new ATOM 116 N TRP A 11 -0.882 23.355 1.735 1.00 0.00 N ATOM 117 CA TRP A 11 -0.940 24.211 2.915 1.00 0.00 C ATOM 118 C TRP A 11 -1.187 23.386 4.173 1.00 0.00 C ATOM 119 O TRP A 11 -0.562 23.616 5.208 1.00 0.00 O ATOM 120 CB TRP A 11 -2.040 25.261 2.754 1.00 0.00 C ATOM 121 CG TRP A 11 -2.281 25.656 1.328 1.00 0.00 C ATOM 122 CD1 TRP A 11 -1.797 26.763 0.692 1.00 0.00 C ATOM 123 CD2 TRP A 11 -3.066 24.947 0.364 1.00 0.00 C ATOM 124 NE1 TRP A 11 -2.235 26.785 -0.611 1.00 0.00 N ATOM 125 CE2 TRP A 11 -3.014 25.682 -0.837 1.00 0.00 C ATOM 126 CE3 TRP A 11 -3.807 23.762 0.397 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -3.675 25.269 -1.991 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -4.463 23.355 -0.749 1.00 0.00 C ATOM 129 CH2 TRP A 11 -4.393 24.106 -1.930 1.00 0.00 C ATOM 0 H TRP A 11 -1.700 22.759 1.605 1.00 0.00 H new ATOM 0 HA TRP A 11 0.021 24.715 3.017 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.967 24.874 3.178 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.773 26.148 3.329 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.164 27.511 1.146 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.015 27.506 -1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.866 23.175 1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.623 25.846 -2.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.040 22.442 -0.734 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.916 23.760 -2.809 1.00 0.00 H new ATOM 140 N GLN A 12 -2.101 22.426 4.077 1.00 0.00 N ATOM 141 CA GLN A 12 -2.430 21.568 5.209 1.00 0.00 C ATOM 142 C GLN A 12 -1.189 21.268 6.043 1.00 0.00 C ATOM 143 O GLN A 12 -0.096 21.093 5.505 1.00 0.00 O ATOM 144 CB GLN A 12 -3.059 20.262 4.721 1.00 0.00 C ATOM 145 CG GLN A 12 -2.092 19.368 3.961 1.00 0.00 C ATOM 146 CD GLN A 12 -2.080 19.653 2.473 1.00 0.00 C ATOM 147 OE1 GLN A 12 -1.446 20.754 2.086 1.00 0.00 O flip ATOM 148 NE2 GLN A 12 -2.634 18.893 1.679 1.00 0.00 N flip ATOM 0 H GLN A 12 -2.627 22.223 3.227 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.148 22.096 5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.450 19.714 5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.907 20.495 4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.087 19.504 4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.362 18.325 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.110 18.058 2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.617 19.098 0.680 1.00 0.00 H new ATOM 157 N GLN A 13 -1.366 21.212 7.359 1.00 0.00 N ATOM 158 CA GLN A 13 -0.259 20.934 8.267 1.00 0.00 C ATOM 159 C GLN A 13 0.139 19.464 8.206 1.00 0.00 C ATOM 160 O GLN A 13 -0.247 18.670 9.064 1.00 0.00 O ATOM 161 CB GLN A 13 -0.639 21.313 9.699 1.00 0.00 C ATOM 162 CG GLN A 13 -0.566 22.806 9.974 1.00 0.00 C ATOM 163 CD GLN A 13 -0.520 23.126 11.455 1.00 0.00 C ATOM 164 OE1 GLN A 13 -0.867 22.293 12.293 1.00 0.00 O ATOM 165 NE2 GLN A 13 -0.091 24.338 11.787 1.00 0.00 N ATOM 0 H GLN A 13 -2.264 21.355 7.820 1.00 0.00 H new ATOM 0 HA GLN A 13 0.594 21.535 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.652 20.964 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.022 20.792 10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.320 23.218 9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.431 23.296 9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.187 24.997 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.039 24.609 12.769 1.00 0.00 H new ATOM 174 N ARG A 14 0.913 19.107 7.186 1.00 0.00 N ATOM 175 CA ARG A 14 1.363 17.731 7.013 1.00 0.00 C ATOM 176 C ARG A 14 2.073 17.229 8.266 1.00 0.00 C ATOM 177 O ARG A 14 3.205 17.620 8.548 1.00 0.00 O ATOM 178 CB ARG A 14 2.298 17.625 5.806 1.00 0.00 C ATOM 179 CG ARG A 14 1.572 17.381 4.493 1.00 0.00 C ATOM 180 CD ARG A 14 2.513 16.835 3.431 1.00 0.00 C ATOM 181 NE ARG A 14 3.218 17.901 2.724 1.00 0.00 N ATOM 182 CZ ARG A 14 4.291 17.697 1.967 1.00 0.00 C ATOM 183 NH1 ARG A 14 4.780 16.474 1.821 1.00 0.00 N ATOM 184 NH2 ARG A 14 4.877 18.719 1.356 1.00 0.00 N ATOM 0 H ARG A 14 1.241 19.752 6.467 1.00 0.00 H new ATOM 0 HA ARG A 14 0.486 17.108 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.879 18.544 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.006 16.814 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.755 16.678 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.127 18.313 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.238 16.168 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.946 16.239 2.716 1.00 0.00 H new ATOM 0 HE ARG A 14 2.868 18.854 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.333 15.687 2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.604 16.320 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.504 19.662 1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.701 18.562 0.775 1.00 0.00 H new ATOM 198 N GLU A 15 1.400 16.360 9.014 1.00 0.00 N ATOM 199 CA GLU A 15 1.967 15.806 10.238 1.00 0.00 C ATOM 200 C GLU A 15 3.348 15.211 9.977 1.00 0.00 C ATOM 201 O GLU A 15 3.583 14.593 8.938 1.00 0.00 O ATOM 202 CB GLU A 15 1.040 14.736 10.818 1.00 0.00 C ATOM 203 CG GLU A 15 0.844 13.540 9.902 1.00 0.00 C ATOM 204 CD GLU A 15 -0.268 12.621 10.372 1.00 0.00 C ATOM 205 OE1 GLU A 15 -0.278 12.269 11.571 1.00 0.00 O ATOM 206 OE2 GLU A 15 -1.126 12.255 9.543 1.00 0.00 O ATOM 0 H GLU A 15 0.462 16.025 8.794 1.00 0.00 H new ATOM 0 HA GLU A 15 2.070 16.617 10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.446 14.392 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.069 15.184 11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.619 13.891 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.775 12.976 9.842 1.00 0.00 H new ATOM 213 N ARG A 16 4.258 15.403 10.926 1.00 0.00 N ATOM 214 CA ARG A 16 5.615 14.887 10.799 1.00 0.00 C ATOM 215 C ARG A 16 6.153 14.430 12.152 1.00 0.00 C ATOM 216 O ARG A 16 5.879 15.049 13.181 1.00 0.00 O ATOM 217 CB ARG A 16 6.536 15.955 10.207 1.00 0.00 C ATOM 218 CG ARG A 16 6.339 16.170 8.715 1.00 0.00 C ATOM 219 CD ARG A 16 7.162 15.188 7.897 1.00 0.00 C ATOM 220 NE ARG A 16 7.371 15.654 6.529 1.00 0.00 N ATOM 221 CZ ARG A 16 8.267 16.577 6.196 1.00 0.00 C ATOM 222 NH1 ARG A 16 9.033 17.128 7.127 1.00 0.00 N ATOM 223 NH2 ARG A 16 8.398 16.949 4.929 1.00 0.00 N ATOM 0 H ARG A 16 4.080 15.912 11.792 1.00 0.00 H new ATOM 0 HA ARG A 16 5.588 14.027 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.366 16.898 10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.572 15.672 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.284 16.057 8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.621 17.190 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.128 15.035 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.659 14.221 7.878 1.00 0.00 H new ATOM 0 HE ARG A 16 6.798 15.249 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.935 16.844 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.720 17.836 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.811 16.526 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.086 17.658 4.674 1.00 0.00 H new ATOM 237 N ARG A 17 6.917 13.343 12.143 1.00 0.00 N ATOM 238 CA ARG A 17 7.491 12.802 13.369 1.00 0.00 C ATOM 239 C ARG A 17 9.014 12.887 13.340 1.00 0.00 C ATOM 240 O ARG A 17 9.597 13.436 12.405 1.00 0.00 O ATOM 241 CB ARG A 17 7.054 11.349 13.565 1.00 0.00 C ATOM 242 CG ARG A 17 5.765 11.202 14.356 1.00 0.00 C ATOM 243 CD ARG A 17 4.549 11.541 13.509 1.00 0.00 C ATOM 244 NE ARG A 17 3.345 10.863 13.983 1.00 0.00 N ATOM 245 CZ ARG A 17 2.695 11.208 15.089 1.00 0.00 C ATOM 246 NH1 ARG A 17 3.130 12.218 15.830 1.00 0.00 N ATOM 247 NH2 ARG A 17 1.607 10.543 15.455 1.00 0.00 N ATOM 0 H ARG A 17 7.153 12.819 11.300 1.00 0.00 H new ATOM 0 HA ARG A 17 7.127 13.399 14.205 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.926 10.882 12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.848 10.806 14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.679 10.180 14.726 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.796 11.855 15.228 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.387 12.619 13.522 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.739 11.260 12.473 1.00 0.00 H new ATOM 0 HE ARG A 17 2.984 10.082 13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.966 12.732 15.551 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.629 12.481 16.679 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.269 9.766 14.887 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.109 10.809 16.304 1.00 0.00 H new ATOM 261 N ARG A 18 9.652 12.340 14.370 1.00 0.00 N ATOM 262 CA ARG A 18 11.107 12.356 14.464 1.00 0.00 C ATOM 263 C ARG A 18 11.734 11.593 13.301 1.00 0.00 C ATOM 264 O ARG A 18 12.626 12.101 12.620 1.00 0.00 O ATOM 265 CB ARG A 18 11.560 11.746 15.791 1.00 0.00 C ATOM 266 CG ARG A 18 11.317 12.649 16.990 1.00 0.00 C ATOM 267 CD ARG A 18 12.277 13.828 17.003 1.00 0.00 C ATOM 268 NE ARG A 18 13.608 13.446 17.467 1.00 0.00 N ATOM 269 CZ ARG A 18 14.670 14.240 17.386 1.00 0.00 C ATOM 270 NH1 ARG A 18 14.557 15.452 16.862 1.00 0.00 N ATOM 271 NH2 ARG A 18 15.848 13.820 17.829 1.00 0.00 N ATOM 0 H ARG A 18 9.184 11.880 15.151 1.00 0.00 H new ATOM 0 HA ARG A 18 11.438 13.393 14.417 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.036 10.802 15.945 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.623 11.514 15.731 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.290 13.015 16.969 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.432 12.074 17.909 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.350 14.247 15.999 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.880 14.612 17.648 1.00 0.00 H new ATOM 0 HE ARG A 18 13.729 12.519 17.875 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.653 15.777 16.520 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.374 16.059 16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.938 12.887 18.232 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.663 14.430 17.767 1.00 0.00 H new ATOM 285 N TYR A 19 11.263 10.371 13.079 1.00 0.00 N ATOM 286 CA TYR A 19 11.780 9.536 12.001 1.00 0.00 C ATOM 287 C TYR A 19 10.960 9.721 10.728 1.00 0.00 C ATOM 288 O TYR A 19 9.820 10.183 10.771 1.00 0.00 O ATOM 289 CB TYR A 19 11.770 8.064 12.417 1.00 0.00 C ATOM 290 CG TYR A 19 12.798 7.727 13.474 1.00 0.00 C ATOM 291 CD1 TYR A 19 12.865 8.447 14.661 1.00 0.00 C ATOM 292 CD2 TYR A 19 13.701 6.688 13.286 1.00 0.00 C ATOM 293 CE1 TYR A 19 13.803 8.143 15.628 1.00 0.00 C ATOM 294 CE2 TYR A 19 14.641 6.375 14.249 1.00 0.00 C ATOM 295 CZ TYR A 19 14.688 7.106 15.418 1.00 0.00 C ATOM 296 OH TYR A 19 15.623 6.799 16.380 1.00 0.00 O ATOM 0 H TYR A 19 10.524 9.936 13.631 1.00 0.00 H new ATOM 0 HA TYR A 19 12.806 9.843 11.799 1.00 0.00 H new ATOM 0 HB2 TYR A 19 10.779 7.807 12.791 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.949 7.445 11.538 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.172 9.258 14.830 1.00 0.00 H new ATOM 0 HD2 TYR A 19 13.668 6.115 12.371 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.843 8.714 16.544 1.00 0.00 H new ATOM 0 HE2 TYR A 19 15.335 5.563 14.088 1.00 0.00 H new ATOM 0 HH TYR A 19 16.168 6.043 16.077 1.00 0.00 H new ATOM 306 N LYS A 20 11.549 9.357 9.594 1.00 0.00 N ATOM 307 CA LYS A 20 10.875 9.480 8.307 1.00 0.00 C ATOM 308 C LYS A 20 11.621 8.704 7.226 1.00 0.00 C ATOM 309 O LYS A 20 12.843 8.802 7.108 1.00 0.00 O ATOM 310 CB LYS A 20 10.762 10.953 7.906 1.00 0.00 C ATOM 311 CG LYS A 20 10.064 11.169 6.574 1.00 0.00 C ATOM 312 CD LYS A 20 9.970 12.645 6.227 1.00 0.00 C ATOM 313 CE LYS A 20 9.784 12.855 4.732 1.00 0.00 C ATOM 314 NZ LYS A 20 9.224 14.200 4.427 1.00 0.00 N ATOM 0 H LYS A 20 12.493 8.974 9.540 1.00 0.00 H new ATOM 0 HA LYS A 20 9.875 9.059 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.219 11.492 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.761 11.385 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.607 10.643 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.063 10.739 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.135 13.094 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.874 13.156 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.743 12.738 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.119 12.087 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.285 14.378 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.229 14.238 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.767 14.926 4.937 1.00 0.00 H new ATOM 328 N CYS A 21 10.878 7.934 6.438 1.00 0.00 N ATOM 329 CA CYS A 21 11.468 7.141 5.366 1.00 0.00 C ATOM 330 C CYS A 21 11.532 7.943 4.069 1.00 0.00 C ATOM 331 O CYS A 21 10.736 7.728 3.155 1.00 0.00 O ATOM 332 CB CYS A 21 10.662 5.860 5.148 1.00 0.00 C ATOM 333 SG CYS A 21 11.611 4.504 4.386 1.00 0.00 S ATOM 0 H CYS A 21 9.866 7.842 6.522 1.00 0.00 H new ATOM 0 HA CYS A 21 12.484 6.877 5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 21 10.272 5.521 6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.803 6.087 4.517 1.00 0.00 H new ATOM 338 N ASP A 22 12.484 8.866 3.998 1.00 0.00 N ATOM 339 CA ASP A 22 12.654 9.699 2.813 1.00 0.00 C ATOM 340 C ASP A 22 12.421 8.889 1.541 1.00 0.00 C ATOM 341 O ASP A 22 12.005 9.430 0.517 1.00 0.00 O ATOM 342 CB ASP A 22 14.054 10.315 2.792 1.00 0.00 C ATOM 343 CG ASP A 22 14.160 11.542 3.675 1.00 0.00 C ATOM 344 OD1 ASP A 22 13.329 12.461 3.517 1.00 0.00 O ATOM 345 OD2 ASP A 22 15.073 11.584 4.525 1.00 0.00 O ATOM 0 H ASP A 22 13.150 9.057 4.747 1.00 0.00 H new ATOM 0 HA ASP A 22 11.915 10.499 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.780 9.571 3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.314 10.584 1.768 1.00 0.00 H new ATOM 350 N GLU A 23 12.694 7.590 1.615 1.00 0.00 N ATOM 351 CA GLU A 23 12.517 6.707 0.468 1.00 0.00 C ATOM 352 C GLU A 23 11.126 6.874 -0.137 1.00 0.00 C ATOM 353 O GLU A 23 10.978 7.023 -1.350 1.00 0.00 O ATOM 354 CB GLU A 23 12.734 5.250 0.881 1.00 0.00 C ATOM 355 CG GLU A 23 14.198 4.862 0.997 1.00 0.00 C ATOM 356 CD GLU A 23 14.888 5.535 2.168 1.00 0.00 C ATOM 357 OE1 GLU A 23 14.417 5.364 3.312 1.00 0.00 O ATOM 358 OE2 GLU A 23 15.899 6.232 1.940 1.00 0.00 O ATOM 0 H GLU A 23 13.038 7.126 2.456 1.00 0.00 H new ATOM 0 HA GLU A 23 13.257 6.978 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.244 5.076 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.251 4.599 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.276 3.780 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.715 5.127 0.074 1.00 0.00 H new ATOM 365 N CYS A 24 10.108 6.847 0.718 1.00 0.00 N ATOM 366 CA CYS A 24 8.729 6.994 0.270 1.00 0.00 C ATOM 367 C CYS A 24 8.124 8.296 0.788 1.00 0.00 C ATOM 368 O CYS A 24 7.552 9.074 0.027 1.00 0.00 O ATOM 369 CB CYS A 24 7.888 5.805 0.740 1.00 0.00 C ATOM 370 SG CYS A 24 8.380 5.144 2.365 1.00 0.00 S ATOM 0 H CYS A 24 10.213 6.725 1.725 1.00 0.00 H new ATOM 0 HA CYS A 24 8.729 7.022 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.842 6.108 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.958 5.009 -0.001 1.00 0.00 H new ATOM 375 N GLY A 25 8.256 8.525 2.091 1.00 0.00 N ATOM 376 CA GLY A 25 7.719 9.733 2.690 1.00 0.00 C ATOM 377 C GLY A 25 6.881 9.447 3.921 1.00 0.00 C ATOM 378 O GLY A 25 6.122 10.302 4.378 1.00 0.00 O ATOM 0 H GLY A 25 8.725 7.896 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.540 10.397 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.111 10.260 1.955 1.00 0.00 H new ATOM 382 N LYS A 26 7.017 8.240 4.459 1.00 0.00 N ATOM 383 CA LYS A 26 6.267 7.841 5.644 1.00 0.00 C ATOM 384 C LYS A 26 6.983 8.284 6.916 1.00 0.00 C ATOM 385 O LYS A 26 8.121 8.752 6.868 1.00 0.00 O ATOM 386 CB LYS A 26 6.067 6.324 5.660 1.00 0.00 C ATOM 387 CG LYS A 26 4.774 5.873 5.004 1.00 0.00 C ATOM 388 CD LYS A 26 4.968 5.593 3.523 1.00 0.00 C ATOM 389 CE LYS A 26 4.717 6.835 2.683 1.00 0.00 C ATOM 390 NZ LYS A 26 3.263 7.087 2.484 1.00 0.00 N ATOM 0 H LYS A 26 7.640 7.520 4.093 1.00 0.00 H new ATOM 0 HA LYS A 26 5.293 8.329 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.907 5.850 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.081 5.975 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.407 4.974 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.012 6.642 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.983 5.234 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.291 4.798 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.172 7.699 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.202 6.721 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.135 7.942 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.833 6.274 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.804 7.221 3.408 1.00 0.00 H new ATOM 404 N SER A 27 6.311 8.131 8.052 1.00 0.00 N ATOM 405 CA SER A 27 6.883 8.517 9.337 1.00 0.00 C ATOM 406 C SER A 27 6.393 7.595 10.449 1.00 0.00 C ATOM 407 O SER A 27 5.258 7.119 10.421 1.00 0.00 O ATOM 408 CB SER A 27 6.521 9.967 9.665 1.00 0.00 C ATOM 409 OG SER A 27 5.118 10.161 9.641 1.00 0.00 O ATOM 0 H SER A 27 5.370 7.742 8.109 1.00 0.00 H new ATOM 0 HA SER A 27 7.967 8.427 9.266 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.910 10.229 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.996 10.635 8.946 1.00 0.00 H new ATOM 0 HG SER A 27 4.913 11.095 9.856 1.00 0.00 H new ATOM 415 N PHE A 28 7.257 7.348 11.428 1.00 0.00 N ATOM 416 CA PHE A 28 6.914 6.482 12.550 1.00 0.00 C ATOM 417 C PHE A 28 7.595 6.956 13.831 1.00 0.00 C ATOM 418 O PHE A 28 8.813 7.129 13.872 1.00 0.00 O ATOM 419 CB PHE A 28 7.319 5.037 12.249 1.00 0.00 C ATOM 420 CG PHE A 28 6.985 4.600 10.851 1.00 0.00 C ATOM 421 CD1 PHE A 28 7.575 5.216 9.759 1.00 0.00 C ATOM 422 CD2 PHE A 28 6.081 3.574 10.630 1.00 0.00 C ATOM 423 CE1 PHE A 28 7.270 4.816 8.472 1.00 0.00 C ATOM 424 CE2 PHE A 28 5.772 3.169 9.345 1.00 0.00 C ATOM 425 CZ PHE A 28 6.367 3.792 8.264 1.00 0.00 C ATOM 0 H PHE A 28 8.200 7.735 11.467 1.00 0.00 H new ATOM 0 HA PHE A 28 5.835 6.527 12.695 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.392 4.928 12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.822 4.374 12.957 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.281 6.018 9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.612 3.085 11.471 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.737 5.304 7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.067 2.367 9.186 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.126 3.479 7.259 1.00 0.00 H new ATOM 435 N SER A 29 6.799 7.166 14.874 1.00 0.00 N ATOM 436 CA SER A 29 7.323 7.624 16.155 1.00 0.00 C ATOM 437 C SER A 29 8.370 6.654 16.693 1.00 0.00 C ATOM 438 O SER A 29 9.334 7.060 17.343 1.00 0.00 O ATOM 439 CB SER A 29 6.187 7.779 17.169 1.00 0.00 C ATOM 440 OG SER A 29 5.216 8.702 16.709 1.00 0.00 O ATOM 0 H SER A 29 5.789 7.026 14.857 1.00 0.00 H new ATOM 0 HA SER A 29 7.797 8.593 15.999 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.718 6.811 17.346 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.591 8.116 18.124 1.00 0.00 H new ATOM 0 HG SER A 29 4.500 8.782 17.373 1.00 0.00 H new ATOM 446 N HIS A 30 8.175 5.369 16.416 1.00 0.00 N ATOM 447 CA HIS A 30 9.102 4.339 16.870 1.00 0.00 C ATOM 448 C HIS A 30 10.084 3.966 15.764 1.00 0.00 C ATOM 449 O HIS A 30 9.683 3.666 14.640 1.00 0.00 O ATOM 450 CB HIS A 30 8.335 3.098 17.328 1.00 0.00 C ATOM 451 CG HIS A 30 9.002 2.360 18.448 1.00 0.00 C ATOM 452 ND1 HIS A 30 9.253 1.005 18.412 1.00 0.00 N ATOM 453 CD2 HIS A 30 9.472 2.797 19.639 1.00 0.00 C ATOM 454 CE1 HIS A 30 9.847 0.640 19.534 1.00 0.00 C ATOM 455 NE2 HIS A 30 9.992 1.709 20.296 1.00 0.00 N ATOM 0 H HIS A 30 7.383 5.016 15.879 1.00 0.00 H new ATOM 0 HA HIS A 30 9.666 4.739 17.712 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.335 3.395 17.645 1.00 0.00 H new ATOM 0 HB3 HIS A 30 8.214 2.423 16.481 1.00 0.00 H new ATOM 0 HD1 HIS A 30 9.017 0.382 17.640 1.00 0.00 H new ATOM 0 HD2 HIS A 30 9.444 3.813 20.005 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.161 -0.362 19.786 1.00 0.00 H new ATOM 463 N SER A 31 11.372 3.987 16.091 1.00 0.00 N ATOM 464 CA SER A 31 12.412 3.656 15.123 1.00 0.00 C ATOM 465 C SER A 31 12.302 2.198 14.686 1.00 0.00 C ATOM 466 O SER A 31 12.257 1.898 13.493 1.00 0.00 O ATOM 467 CB SER A 31 13.796 3.918 15.720 1.00 0.00 C ATOM 468 OG SER A 31 14.043 3.071 16.829 1.00 0.00 O ATOM 0 H SER A 31 11.721 4.230 17.018 1.00 0.00 H new ATOM 0 HA SER A 31 12.276 4.291 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.560 3.758 14.959 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.870 4.960 16.031 1.00 0.00 H new ATOM 0 HG SER A 31 14.934 3.257 17.191 1.00 0.00 H new ATOM 474 N SER A 32 12.260 1.296 15.662 1.00 0.00 N ATOM 475 CA SER A 32 12.160 -0.131 15.379 1.00 0.00 C ATOM 476 C SER A 32 11.093 -0.402 14.323 1.00 0.00 C ATOM 477 O SER A 32 11.341 -1.100 13.340 1.00 0.00 O ATOM 478 CB SER A 32 11.835 -0.904 16.659 1.00 0.00 C ATOM 479 OG SER A 32 12.944 -0.919 17.541 1.00 0.00 O ATOM 0 H SER A 32 12.294 1.528 16.655 1.00 0.00 H new ATOM 0 HA SER A 32 13.122 -0.468 14.993 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.978 -0.448 17.155 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.552 -1.926 16.408 1.00 0.00 H new ATOM 0 HG SER A 32 12.710 -1.417 18.352 1.00 0.00 H new ATOM 485 N ASP A 33 9.906 0.155 14.534 1.00 0.00 N ATOM 486 CA ASP A 33 8.800 -0.024 13.600 1.00 0.00 C ATOM 487 C ASP A 33 9.221 0.348 12.182 1.00 0.00 C ATOM 488 O ASP A 33 9.104 -0.457 11.257 1.00 0.00 O ATOM 489 CB ASP A 33 7.600 0.822 14.029 1.00 0.00 C ATOM 490 CG ASP A 33 6.772 0.149 15.105 1.00 0.00 C ATOM 491 OD1 ASP A 33 7.251 0.063 16.256 1.00 0.00 O ATOM 492 OD2 ASP A 33 5.645 -0.290 14.798 1.00 0.00 O ATOM 0 H ASP A 33 9.684 0.734 15.344 1.00 0.00 H new ATOM 0 HA ASP A 33 8.514 -1.076 13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.952 1.786 14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.971 1.021 13.162 1.00 0.00 H new ATOM 497 N LEU A 34 9.709 1.572 12.017 1.00 0.00 N ATOM 498 CA LEU A 34 10.146 2.052 10.711 1.00 0.00 C ATOM 499 C LEU A 34 11.154 1.093 10.087 1.00 0.00 C ATOM 500 O LEU A 34 11.077 0.781 8.899 1.00 0.00 O ATOM 501 CB LEU A 34 10.763 3.446 10.838 1.00 0.00 C ATOM 502 CG LEU A 34 11.648 3.898 9.675 1.00 0.00 C ATOM 503 CD1 LEU A 34 10.798 4.450 8.542 1.00 0.00 C ATOM 504 CD2 LEU A 34 12.655 4.937 10.144 1.00 0.00 C ATOM 0 H LEU A 34 9.812 2.251 12.772 1.00 0.00 H new ATOM 0 HA LEU A 34 9.273 2.105 10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.956 4.169 10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.355 3.477 11.752 1.00 0.00 H new ATOM 0 HG LEU A 34 12.196 3.033 9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.444 4.767 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.117 3.676 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.223 5.303 8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.276 5.247 9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.126 5.802 10.543 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.286 4.507 10.922 1.00 0.00 H new ATOM 516 N SER A 35 12.098 0.625 10.898 1.00 0.00 N ATOM 517 CA SER A 35 13.123 -0.299 10.425 1.00 0.00 C ATOM 518 C SER A 35 12.492 -1.494 9.718 1.00 0.00 C ATOM 519 O SER A 35 12.956 -1.920 8.660 1.00 0.00 O ATOM 520 CB SER A 35 13.984 -0.780 11.595 1.00 0.00 C ATOM 521 OG SER A 35 14.985 -1.681 11.154 1.00 0.00 O ATOM 0 H SER A 35 12.174 0.870 11.885 1.00 0.00 H new ATOM 0 HA SER A 35 13.755 0.231 9.712 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.450 0.076 12.084 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.353 -1.267 12.339 1.00 0.00 H new ATOM 0 HG SER A 35 15.523 -1.973 11.920 1.00 0.00 H new ATOM 527 N LYS A 36 11.431 -2.032 10.310 1.00 0.00 N ATOM 528 CA LYS A 36 10.734 -3.177 9.739 1.00 0.00 C ATOM 529 C LYS A 36 9.953 -2.773 8.493 1.00 0.00 C ATOM 530 O LYS A 36 9.688 -3.598 7.618 1.00 0.00 O ATOM 531 CB LYS A 36 9.785 -3.790 10.771 1.00 0.00 C ATOM 532 CG LYS A 36 10.474 -4.202 12.061 1.00 0.00 C ATOM 533 CD LYS A 36 9.523 -4.143 13.245 1.00 0.00 C ATOM 534 CE LYS A 36 10.254 -4.367 14.559 1.00 0.00 C ATOM 535 NZ LYS A 36 9.350 -4.906 15.612 1.00 0.00 N ATOM 0 H LYS A 36 11.035 -1.692 11.186 1.00 0.00 H new ATOM 0 HA LYS A 36 11.480 -3.919 9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.999 -3.071 11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.300 -4.662 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.866 -5.214 11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.326 -3.547 12.245 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.025 -3.173 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.746 -4.898 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.081 -5.059 14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.687 -3.426 14.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.886 -5.045 16.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.575 -4.234 15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.957 -5.816 15.299 1.00 0.00 H new ATOM 549 N HIS A 37 9.587 -1.497 8.417 1.00 0.00 N ATOM 550 CA HIS A 37 8.838 -0.982 7.277 1.00 0.00 C ATOM 551 C HIS A 37 9.709 -0.950 6.024 1.00 0.00 C ATOM 552 O HIS A 37 9.330 -1.479 4.979 1.00 0.00 O ATOM 553 CB HIS A 37 8.307 0.419 7.579 1.00 0.00 C ATOM 554 CG HIS A 37 8.163 1.281 6.362 1.00 0.00 C ATOM 555 ND1 HIS A 37 7.141 1.128 5.448 1.00 0.00 N ATOM 556 CD2 HIS A 37 8.918 2.309 5.911 1.00 0.00 C ATOM 557 CE1 HIS A 37 7.275 2.025 4.487 1.00 0.00 C ATOM 558 NE2 HIS A 37 8.346 2.754 4.745 1.00 0.00 N ATOM 0 H HIS A 37 9.797 -0.801 9.132 1.00 0.00 H new ATOM 0 HA HIS A 37 7.996 -1.650 7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.338 0.333 8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.979 0.909 8.284 1.00 0.00 H new ATOM 0 HD1 HIS A 37 6.398 0.431 5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.806 2.706 6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.621 2.142 3.636 1.00 0.00 H new ATOM 566 N ARG A 38 10.876 -0.325 6.137 1.00 0.00 N ATOM 567 CA ARG A 38 11.799 -0.223 5.014 1.00 0.00 C ATOM 568 C ARG A 38 11.876 -1.542 4.251 1.00 0.00 C ATOM 569 O ARG A 38 12.176 -1.563 3.057 1.00 0.00 O ATOM 570 CB ARG A 38 13.192 0.176 5.506 1.00 0.00 C ATOM 571 CG ARG A 38 13.427 1.678 5.518 1.00 0.00 C ATOM 572 CD ARG A 38 13.025 2.293 6.849 1.00 0.00 C ATOM 573 NE ARG A 38 14.134 2.314 7.800 1.00 0.00 N ATOM 574 CZ ARG A 38 15.123 3.199 7.756 1.00 0.00 C ATOM 575 NH1 ARG A 38 15.142 4.131 6.813 1.00 0.00 N ATOM 576 NH2 ARG A 38 16.096 3.153 8.656 1.00 0.00 N ATOM 0 H ARG A 38 11.205 0.118 6.995 1.00 0.00 H new ATOM 0 HA ARG A 38 11.425 0.546 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.338 -0.214 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.941 -0.295 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.479 1.884 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.857 2.143 4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.669 3.310 6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.195 1.728 7.273 1.00 0.00 H new ATOM 0 HE ARG A 38 14.149 1.610 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.396 4.169 6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.903 4.809 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.085 2.437 9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.855 3.833 8.621 1.00 0.00 H new ATOM 590 N ARG A 39 11.603 -2.640 4.948 1.00 0.00 N ATOM 591 CA ARG A 39 11.643 -3.963 4.337 1.00 0.00 C ATOM 592 C ARG A 39 10.697 -4.038 3.143 1.00 0.00 C ATOM 593 O ARG A 39 11.071 -4.510 2.068 1.00 0.00 O ATOM 594 CB ARG A 39 11.272 -5.034 5.364 1.00 0.00 C ATOM 595 CG ARG A 39 12.076 -4.948 6.651 1.00 0.00 C ATOM 596 CD ARG A 39 13.394 -5.697 6.535 1.00 0.00 C ATOM 597 NE ARG A 39 13.195 -7.115 6.249 1.00 0.00 N ATOM 598 CZ ARG A 39 13.174 -7.621 5.020 1.00 0.00 C ATOM 599 NH1 ARG A 39 13.340 -6.828 3.971 1.00 0.00 N ATOM 600 NH2 ARG A 39 12.987 -8.922 4.841 1.00 0.00 N ATOM 0 H ARG A 39 11.352 -2.640 5.937 1.00 0.00 H new ATOM 0 HA ARG A 39 12.659 -4.143 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.212 -4.946 5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.418 -6.018 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.270 -3.903 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.493 -5.361 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.997 -5.249 5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.955 -5.590 7.464 1.00 0.00 H new ATOM 0 HE ARG A 39 13.065 -7.752 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.484 -5.827 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.324 -7.218 3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.859 -9.534 5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.971 -9.310 3.898 1.00 0.00 H new ATOM 614 N THR A 40 9.468 -3.571 3.337 1.00 0.00 N ATOM 615 CA THR A 40 8.467 -3.587 2.278 1.00 0.00 C ATOM 616 C THR A 40 9.062 -3.127 0.952 1.00 0.00 C ATOM 617 O THR A 40 8.575 -3.491 -0.119 1.00 0.00 O ATOM 618 CB THR A 40 7.265 -2.689 2.627 1.00 0.00 C ATOM 619 OG1 THR A 40 6.272 -2.779 1.599 1.00 0.00 O ATOM 620 CG2 THR A 40 7.701 -1.241 2.793 1.00 0.00 C ATOM 0 H THR A 40 9.142 -3.176 4.219 1.00 0.00 H new ATOM 0 HA THR A 40 8.125 -4.618 2.182 1.00 0.00 H new ATOM 0 HB THR A 40 6.843 -3.035 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.398 -2.959 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.835 -0.626 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.435 -1.172 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.146 -0.886 1.863 1.00 0.00 H new ATOM 628 N HIS A 41 10.120 -2.325 1.030 1.00 0.00 N ATOM 629 CA HIS A 41 10.783 -1.816 -0.165 1.00 0.00 C ATOM 630 C HIS A 41 11.517 -2.935 -0.897 1.00 0.00 C ATOM 631 O HIS A 41 12.696 -3.188 -0.646 1.00 0.00 O ATOM 632 CB HIS A 41 11.765 -0.704 0.205 1.00 0.00 C ATOM 633 CG HIS A 41 11.112 0.482 0.847 1.00 0.00 C ATOM 634 ND1 HIS A 41 9.867 0.947 0.478 1.00 0.00 N ATOM 635 CD2 HIS A 41 11.538 1.297 1.840 1.00 0.00 C ATOM 636 CE1 HIS A 41 9.557 1.998 1.215 1.00 0.00 C ATOM 637 NE2 HIS A 41 10.554 2.231 2.050 1.00 0.00 N ATOM 0 H HIS A 41 10.536 -2.014 1.908 1.00 0.00 H new ATOM 0 HA HIS A 41 10.020 -1.410 -0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 41 12.517 -1.106 0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 41 12.288 -0.378 -0.694 1.00 0.00 H new ATOM 0 HD1 HIS A 41 9.278 0.543 -0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.477 1.226 2.369 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.643 2.570 1.147 1.00 0.00 H new ATOM 645 N THR A 42 10.812 -3.604 -1.805 1.00 0.00 N ATOM 646 CA THR A 42 11.395 -4.698 -2.572 1.00 0.00 C ATOM 647 C THR A 42 11.021 -4.596 -4.046 1.00 0.00 C ATOM 648 O THR A 42 9.867 -4.805 -4.419 1.00 0.00 O ATOM 649 CB THR A 42 10.942 -6.067 -2.032 1.00 0.00 C ATOM 650 OG1 THR A 42 9.524 -6.204 -2.170 1.00 0.00 O ATOM 651 CG2 THR A 42 11.332 -6.229 -0.570 1.00 0.00 C ATOM 0 H THR A 42 9.836 -3.407 -2.027 1.00 0.00 H new ATOM 0 HA THR A 42 12.477 -4.615 -2.468 1.00 0.00 H new ATOM 0 HB THR A 42 11.440 -6.844 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.218 -5.677 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.001 -7.204 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.415 -6.154 -0.472 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.859 -5.445 0.022 1.00 0.00 H new ATOM 659 N GLY A 43 12.004 -4.273 -4.881 1.00 0.00 N ATOM 660 CA GLY A 43 11.756 -4.150 -6.306 1.00 0.00 C ATOM 661 C GLY A 43 11.976 -2.739 -6.813 1.00 0.00 C ATOM 662 O GLY A 43 12.919 -2.065 -6.401 1.00 0.00 O ATOM 0 H GLY A 43 12.967 -4.094 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.412 -4.833 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.732 -4.454 -6.521 1.00 0.00 H new ATOM 666 N GLU A 44 11.103 -2.291 -7.710 1.00 0.00 N ATOM 667 CA GLU A 44 11.209 -0.951 -8.275 1.00 0.00 C ATOM 668 C GLU A 44 10.075 -0.059 -7.776 1.00 0.00 C ATOM 669 O GLU A 44 9.809 1.001 -8.342 1.00 0.00 O ATOM 670 CB GLU A 44 11.187 -1.015 -9.804 1.00 0.00 C ATOM 671 CG GLU A 44 11.833 0.186 -10.472 1.00 0.00 C ATOM 672 CD GLU A 44 13.336 0.225 -10.275 1.00 0.00 C ATOM 673 OE1 GLU A 44 13.787 0.813 -9.269 1.00 0.00 O ATOM 674 OE2 GLU A 44 14.062 -0.332 -11.125 1.00 0.00 O ATOM 0 H GLU A 44 10.315 -2.836 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 44 12.156 -0.521 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.700 -1.920 -10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.154 -1.096 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.611 0.167 -11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.394 1.100 -10.071 1.00 0.00 H new ATOM 681 N LYS A 45 9.410 -0.497 -6.712 1.00 0.00 N ATOM 682 CA LYS A 45 8.306 0.259 -6.135 1.00 0.00 C ATOM 683 C LYS A 45 8.637 0.706 -4.714 1.00 0.00 C ATOM 684 O LYS A 45 8.107 0.183 -3.734 1.00 0.00 O ATOM 685 CB LYS A 45 7.030 -0.585 -6.131 1.00 0.00 C ATOM 686 CG LYS A 45 6.273 -0.550 -7.447 1.00 0.00 C ATOM 687 CD LYS A 45 6.874 -1.509 -8.461 1.00 0.00 C ATOM 688 CE LYS A 45 7.005 -2.913 -7.891 1.00 0.00 C ATOM 689 NZ LYS A 45 7.042 -3.946 -8.962 1.00 0.00 N ATOM 0 H LYS A 45 9.617 -1.373 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 45 8.146 1.146 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.288 -1.618 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.374 -0.233 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.229 -0.809 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.288 0.463 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.249 -1.535 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.855 -1.147 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.913 -2.978 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.168 -3.113 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.132 -4.889 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.164 -3.901 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.856 -3.771 -9.585 1.00 0.00 H new ATOM 703 N PRO A 46 9.532 1.698 -4.599 1.00 0.00 N ATOM 704 CA PRO A 46 9.952 2.239 -3.302 1.00 0.00 C ATOM 705 C PRO A 46 8.842 3.029 -2.617 1.00 0.00 C ATOM 706 O PRO A 46 9.044 3.598 -1.544 1.00 0.00 O ATOM 707 CB PRO A 46 11.120 3.160 -3.663 1.00 0.00 C ATOM 708 CG PRO A 46 10.869 3.552 -5.079 1.00 0.00 C ATOM 709 CD PRO A 46 10.204 2.369 -5.725 1.00 0.00 C ATOM 0 HA PRO A 46 10.216 1.450 -2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.153 4.032 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.076 2.647 -3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.232 4.435 -5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.801 3.801 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.493 2.677 -6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.930 1.714 -6.208 1.00 0.00 H new ATOM 717 N TYR A 47 7.671 3.059 -3.243 1.00 0.00 N ATOM 718 CA TYR A 47 6.530 3.782 -2.694 1.00 0.00 C ATOM 719 C TYR A 47 5.371 2.832 -2.406 1.00 0.00 C ATOM 720 O TYR A 47 5.053 1.958 -3.213 1.00 0.00 O ATOM 721 CB TYR A 47 6.078 4.875 -3.663 1.00 0.00 C ATOM 722 CG TYR A 47 7.190 5.810 -4.083 1.00 0.00 C ATOM 723 CD1 TYR A 47 7.529 6.911 -3.307 1.00 0.00 C ATOM 724 CD2 TYR A 47 7.902 5.590 -5.256 1.00 0.00 C ATOM 725 CE1 TYR A 47 8.544 7.768 -3.688 1.00 0.00 C ATOM 726 CE2 TYR A 47 8.919 6.441 -5.643 1.00 0.00 C ATOM 727 CZ TYR A 47 9.236 7.528 -4.856 1.00 0.00 C ATOM 728 OH TYR A 47 10.249 8.378 -5.238 1.00 0.00 O ATOM 0 H TYR A 47 7.487 2.591 -4.131 1.00 0.00 H new ATOM 0 HA TYR A 47 6.841 4.243 -1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.652 4.408 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.283 5.456 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.990 7.101 -2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.656 4.740 -5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.794 8.621 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.463 6.256 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 47 10.635 8.067 -6.083 1.00 0.00 H new ATOM 738 N LYS A 48 4.743 3.009 -1.249 1.00 0.00 N ATOM 739 CA LYS A 48 3.618 2.171 -0.851 1.00 0.00 C ATOM 740 C LYS A 48 2.752 2.878 0.186 1.00 0.00 C ATOM 741 O LYS A 48 3.260 3.598 1.047 1.00 0.00 O ATOM 742 CB LYS A 48 4.121 0.840 -0.289 1.00 0.00 C ATOM 743 CG LYS A 48 3.065 0.067 0.482 1.00 0.00 C ATOM 744 CD LYS A 48 3.369 -1.422 0.505 1.00 0.00 C ATOM 745 CE LYS A 48 2.730 -2.140 -0.674 1.00 0.00 C ATOM 746 NZ LYS A 48 1.360 -2.627 -0.350 1.00 0.00 N ATOM 0 H LYS A 48 4.994 3.727 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 48 3.010 1.979 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.484 0.222 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.971 1.030 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.010 0.444 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.088 0.233 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.448 -1.574 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.004 -1.854 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.683 -1.465 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.355 -2.983 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.777 -2.620 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.415 -3.596 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.930 -2.005 0.364 1.00 0.00 H new ATOM 760 N CYS A 49 1.443 2.668 0.101 1.00 0.00 N ATOM 761 CA CYS A 49 0.506 3.284 1.032 1.00 0.00 C ATOM 762 C CYS A 49 0.242 2.367 2.223 1.00 0.00 C ATOM 763 O CYS A 49 0.454 1.157 2.148 1.00 0.00 O ATOM 764 CB CYS A 49 -0.810 3.610 0.324 1.00 0.00 C ATOM 765 SG CYS A 49 -2.008 4.510 1.359 1.00 0.00 S ATOM 0 H CYS A 49 1.007 2.075 -0.605 1.00 0.00 H new ATOM 0 HA CYS A 49 0.952 4.209 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.595 4.204 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.267 2.681 -0.017 1.00 0.00 H new ATOM 770 N ASP A 50 -0.223 2.953 3.322 1.00 0.00 N ATOM 771 CA ASP A 50 -0.518 2.190 4.529 1.00 0.00 C ATOM 772 C ASP A 50 -2.024 2.080 4.748 1.00 0.00 C ATOM 773 O ASP A 50 -2.502 1.130 5.366 1.00 0.00 O ATOM 774 CB ASP A 50 0.141 2.843 5.745 1.00 0.00 C ATOM 775 CG ASP A 50 1.618 3.111 5.529 1.00 0.00 C ATOM 776 OD1 ASP A 50 2.422 2.171 5.700 1.00 0.00 O ATOM 777 OD2 ASP A 50 1.968 4.260 5.189 1.00 0.00 O ATOM 0 H ASP A 50 -0.403 3.954 3.401 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.113 1.186 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.366 3.781 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.015 2.197 6.614 1.00 0.00 H new ATOM 782 N GLU A 51 -2.763 3.060 4.238 1.00 0.00 N ATOM 783 CA GLU A 51 -4.215 3.074 4.381 1.00 0.00 C ATOM 784 C GLU A 51 -4.857 2.003 3.504 1.00 0.00 C ATOM 785 O GLU A 51 -5.809 1.337 3.914 1.00 0.00 O ATOM 786 CB GLU A 51 -4.772 4.451 4.014 1.00 0.00 C ATOM 787 CG GLU A 51 -4.280 5.567 4.920 1.00 0.00 C ATOM 788 CD GLU A 51 -4.963 5.565 6.274 1.00 0.00 C ATOM 789 OE1 GLU A 51 -4.518 4.807 7.161 1.00 0.00 O ATOM 790 OE2 GLU A 51 -5.942 6.321 6.445 1.00 0.00 O ATOM 0 H GLU A 51 -2.382 3.853 3.723 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.455 2.859 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.498 4.682 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.861 4.416 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.204 5.468 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.451 6.527 4.433 1.00 0.00 H new ATOM 797 N CYS A 52 -4.332 1.843 2.294 1.00 0.00 N ATOM 798 CA CYS A 52 -4.853 0.855 1.358 1.00 0.00 C ATOM 799 C CYS A 52 -3.847 -0.271 1.138 1.00 0.00 C ATOM 800 O CYS A 52 -4.201 -1.448 1.167 1.00 0.00 O ATOM 801 CB CYS A 52 -5.193 1.518 0.021 1.00 0.00 C ATOM 802 SG CYS A 52 -3.737 1.960 -0.981 1.00 0.00 S ATOM 0 H CYS A 52 -3.545 2.386 1.939 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.760 0.429 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.827 0.844 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.776 2.419 0.212 1.00 0.00 H new ATOM 807 N GLY A 53 -2.589 0.101 0.919 1.00 0.00 N ATOM 808 CA GLY A 53 -1.551 -0.888 0.699 1.00 0.00 C ATOM 809 C GLY A 53 -1.304 -1.151 -0.774 1.00 0.00 C ATOM 810 O GLY A 53 -1.401 -2.289 -1.234 1.00 0.00 O ATOM 0 H GLY A 53 -2.271 1.070 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.626 -0.549 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.832 -1.820 1.189 1.00 0.00 H new ATOM 814 N LYS A 54 -0.986 -0.096 -1.516 1.00 0.00 N ATOM 815 CA LYS A 54 -0.725 -0.217 -2.946 1.00 0.00 C ATOM 816 C LYS A 54 0.633 0.379 -3.303 1.00 0.00 C ATOM 817 O LYS A 54 0.952 1.500 -2.909 1.00 0.00 O ATOM 818 CB LYS A 54 -1.827 0.480 -3.747 1.00 0.00 C ATOM 819 CG LYS A 54 -1.565 0.511 -5.243 1.00 0.00 C ATOM 820 CD LYS A 54 -2.860 0.503 -6.036 1.00 0.00 C ATOM 821 CE LYS A 54 -3.423 1.907 -6.200 1.00 0.00 C ATOM 822 NZ LYS A 54 -4.275 2.301 -5.044 1.00 0.00 N ATOM 0 H LYS A 54 -0.903 0.853 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.715 -1.277 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.774 -0.027 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.937 1.502 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.989 1.402 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.959 -0.350 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.684 0.064 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.593 -0.127 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.603 2.617 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.009 1.958 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.133 3.310 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.275 2.133 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.013 1.735 -4.211 1.00 0.00 H new ATOM 836 N ALA A 55 1.427 -0.378 -4.053 1.00 0.00 N ATOM 837 CA ALA A 55 2.749 0.077 -4.466 1.00 0.00 C ATOM 838 C ALA A 55 2.664 0.944 -5.718 1.00 0.00 C ATOM 839 O ALA A 55 1.939 0.623 -6.660 1.00 0.00 O ATOM 840 CB ALA A 55 3.665 -1.114 -4.707 1.00 0.00 C ATOM 0 H ALA A 55 1.178 -1.309 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 55 3.165 0.685 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.649 -0.760 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.759 -1.693 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.244 -1.744 -5.491 1.00 0.00 H new ATOM 846 N PHE A 56 3.410 2.044 -5.721 1.00 0.00 N ATOM 847 CA PHE A 56 3.417 2.959 -6.857 1.00 0.00 C ATOM 848 C PHE A 56 4.834 3.150 -7.391 1.00 0.00 C ATOM 849 O PHE A 56 5.675 3.771 -6.741 1.00 0.00 O ATOM 850 CB PHE A 56 2.825 4.311 -6.454 1.00 0.00 C ATOM 851 CG PHE A 56 1.418 4.219 -5.936 1.00 0.00 C ATOM 852 CD1 PHE A 56 1.175 3.992 -4.591 1.00 0.00 C ATOM 853 CD2 PHE A 56 0.340 4.360 -6.794 1.00 0.00 C ATOM 854 CE1 PHE A 56 -0.119 3.906 -4.113 1.00 0.00 C ATOM 855 CE2 PHE A 56 -0.956 4.275 -6.321 1.00 0.00 C ATOM 856 CZ PHE A 56 -1.186 4.049 -4.978 1.00 0.00 C ATOM 0 H PHE A 56 4.017 2.323 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 56 2.805 2.524 -7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.457 4.762 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.843 4.978 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.005 3.881 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.514 4.538 -7.845 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.296 3.727 -3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.788 4.385 -7.001 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.198 3.984 -4.605 1.00 0.00 H new ATOM 866 N ILE A 57 5.089 2.611 -8.579 1.00 0.00 N ATOM 867 CA ILE A 57 6.403 2.723 -9.201 1.00 0.00 C ATOM 868 C ILE A 57 6.892 4.167 -9.197 1.00 0.00 C ATOM 869 O ILE A 57 8.012 4.451 -8.772 1.00 0.00 O ATOM 870 CB ILE A 57 6.385 2.203 -10.650 1.00 0.00 C ATOM 871 CG1 ILE A 57 5.953 0.735 -10.683 1.00 0.00 C ATOM 872 CG2 ILE A 57 7.755 2.372 -11.290 1.00 0.00 C ATOM 873 CD1 ILE A 57 5.300 0.327 -11.985 1.00 0.00 C ATOM 0 H ILE A 57 4.404 2.093 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 57 7.085 2.110 -8.612 1.00 0.00 H new ATOM 0 HB ILE A 57 5.664 2.787 -11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.825 0.104 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.258 0.551 -9.864 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.727 2.000 -12.314 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.027 3.428 -11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.495 1.810 -10.720 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.020 -0.725 -11.937 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.409 0.933 -12.151 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.000 0.479 -12.806 1.00 0.00 H new ATOM 885 N GLN A 58 6.044 5.075 -9.670 1.00 0.00 N ATOM 886 CA GLN A 58 6.391 6.490 -9.720 1.00 0.00 C ATOM 887 C GLN A 58 5.949 7.204 -8.446 1.00 0.00 C ATOM 888 O GLN A 58 5.311 6.607 -7.579 1.00 0.00 O ATOM 889 CB GLN A 58 5.747 7.152 -10.939 1.00 0.00 C ATOM 890 CG GLN A 58 6.603 7.081 -12.193 1.00 0.00 C ATOM 891 CD GLN A 58 7.806 8.002 -12.131 1.00 0.00 C ATOM 892 OE1 GLN A 58 7.775 9.038 -11.468 1.00 0.00 O ATOM 893 NE2 GLN A 58 8.875 7.627 -12.824 1.00 0.00 N ATOM 0 H GLN A 58 5.113 4.856 -10.024 1.00 0.00 H new ATOM 0 HA GLN A 58 7.475 6.570 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.787 6.674 -11.137 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.541 8.197 -10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.942 6.056 -12.339 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.995 7.342 -13.059 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.857 6.759 -13.360 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.714 8.206 -12.820 1.00 0.00 H new ATOM 902 N ARG A 59 6.293 8.483 -8.341 1.00 0.00 N ATOM 903 CA ARG A 59 5.932 9.277 -7.173 1.00 0.00 C ATOM 904 C ARG A 59 4.545 9.891 -7.339 1.00 0.00 C ATOM 905 O ARG A 59 3.680 9.736 -6.477 1.00 0.00 O ATOM 906 CB ARG A 59 6.966 10.382 -6.942 1.00 0.00 C ATOM 907 CG ARG A 59 6.574 11.363 -5.850 1.00 0.00 C ATOM 908 CD ARG A 59 6.759 10.760 -4.466 1.00 0.00 C ATOM 909 NE ARG A 59 8.100 11.000 -3.939 1.00 0.00 N ATOM 910 CZ ARG A 59 8.441 12.096 -3.272 1.00 0.00 C ATOM 911 NH1 ARG A 59 7.545 13.048 -3.051 1.00 0.00 N ATOM 912 NH2 ARG A 59 9.682 12.242 -2.823 1.00 0.00 N ATOM 0 H ARG A 59 6.821 8.991 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 59 5.916 8.616 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.921 9.926 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.116 10.928 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.177 12.267 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.534 11.660 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.021 11.183 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.574 9.687 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 59 8.813 10.287 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.590 12.939 -3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.810 13.889 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.374 11.512 -2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.943 13.084 -2.311 1.00 0.00 H new ATOM 926 N SER A 60 4.341 10.587 -8.453 1.00 0.00 N ATOM 927 CA SER A 60 3.061 11.227 -8.730 1.00 0.00 C ATOM 928 C SER A 60 1.909 10.246 -8.534 1.00 0.00 C ATOM 929 O SER A 60 0.917 10.559 -7.874 1.00 0.00 O ATOM 930 CB SER A 60 3.040 11.777 -10.158 1.00 0.00 C ATOM 931 OG SER A 60 4.136 12.645 -10.386 1.00 0.00 O ATOM 0 H SER A 60 5.046 10.722 -9.178 1.00 0.00 H new ATOM 0 HA SER A 60 2.936 12.052 -8.028 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.071 10.952 -10.869 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.106 12.312 -10.331 1.00 0.00 H new ATOM 0 HG SER A 60 4.101 12.982 -11.306 1.00 0.00 H new ATOM 937 N HIS A 61 2.048 9.057 -9.111 1.00 0.00 N ATOM 938 CA HIS A 61 1.019 8.029 -9.000 1.00 0.00 C ATOM 939 C HIS A 61 0.517 7.915 -7.564 1.00 0.00 C ATOM 940 O HIS A 61 -0.634 7.549 -7.325 1.00 0.00 O ATOM 941 CB HIS A 61 1.565 6.680 -9.470 1.00 0.00 C ATOM 942 CG HIS A 61 2.140 6.715 -10.852 1.00 0.00 C ATOM 943 ND1 HIS A 61 2.237 7.727 -11.746 1.00 0.00 N flip ATOM 944 CD2 HIS A 61 2.703 5.613 -11.462 1.00 0.00 C flip ATOM 945 CE1 HIS A 61 2.851 7.224 -12.866 1.00 0.00 C flip ATOM 946 NE2 HIS A 61 3.122 5.947 -12.669 1.00 0.00 N flip ATOM 0 H HIS A 61 2.862 8.781 -9.660 1.00 0.00 H new ATOM 0 HA HIS A 61 0.182 8.317 -9.637 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.334 6.346 -8.774 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.764 5.942 -9.437 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.788 4.631 -11.021 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.076 7.782 -13.763 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.578 5.324 -13.336 1.00 0.00 H new ATOM 954 N LEU A 62 1.388 8.231 -6.612 1.00 0.00 N ATOM 955 CA LEU A 62 1.033 8.164 -5.198 1.00 0.00 C ATOM 956 C LEU A 62 0.395 9.470 -4.734 1.00 0.00 C ATOM 957 O LEU A 62 -0.612 9.463 -4.025 1.00 0.00 O ATOM 958 CB LEU A 62 2.273 7.862 -4.355 1.00 0.00 C ATOM 959 CG LEU A 62 2.078 7.896 -2.838 1.00 0.00 C ATOM 960 CD1 LEU A 62 1.260 6.699 -2.378 1.00 0.00 C ATOM 961 CD2 LEU A 62 3.423 7.930 -2.128 1.00 0.00 C ATOM 0 H LEU A 62 2.344 8.536 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 62 0.308 7.361 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.644 6.875 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.050 8.580 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 62 1.532 8.804 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.132 6.740 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.283 6.719 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.779 5.779 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.265 7.954 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.996 7.041 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.973 8.820 -2.434 1.00 0.00 H new ATOM 973 N ILE A 63 0.985 10.588 -5.142 1.00 0.00 N ATOM 974 CA ILE A 63 0.472 11.901 -4.771 1.00 0.00 C ATOM 975 C ILE A 63 -1.039 11.975 -4.961 1.00 0.00 C ATOM 976 O ILE A 63 -1.778 12.286 -4.028 1.00 0.00 O ATOM 977 CB ILE A 63 1.137 13.019 -5.596 1.00 0.00 C ATOM 978 CG1 ILE A 63 2.646 13.037 -5.347 1.00 0.00 C ATOM 979 CG2 ILE A 63 0.522 14.368 -5.252 1.00 0.00 C ATOM 980 CD1 ILE A 63 3.360 14.176 -6.042 1.00 0.00 C ATOM 0 H ILE A 63 1.819 10.611 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 63 0.711 12.047 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 63 0.964 12.822 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.828 13.105 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.073 12.092 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.002 15.148 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.545 14.349 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.668 14.575 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.426 14.126 -5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.209 14.097 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.960 15.126 -5.688 1.00 0.00 H new ATOM 992 N GLY A 64 -1.492 11.684 -6.177 1.00 0.00 N ATOM 993 CA GLY A 64 -2.914 11.721 -6.467 1.00 0.00 C ATOM 994 C GLY A 64 -3.686 10.654 -5.719 1.00 0.00 C ATOM 995 O GLY A 64 -4.783 10.906 -5.219 1.00 0.00 O ATOM 0 H GLY A 64 -0.900 11.423 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.310 12.702 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.067 11.592 -7.538 1.00 0.00 H new ATOM 999 N HIS A 65 -3.115 9.456 -5.642 1.00 0.00 N ATOM 1000 CA HIS A 65 -3.758 8.345 -4.950 1.00 0.00 C ATOM 1001 C HIS A 65 -4.252 8.776 -3.572 1.00 0.00 C ATOM 1002 O HIS A 65 -5.346 8.404 -3.149 1.00 0.00 O ATOM 1003 CB HIS A 65 -2.788 7.171 -4.813 1.00 0.00 C ATOM 1004 CG HIS A 65 -3.147 6.222 -3.712 1.00 0.00 C ATOM 1005 ND1 HIS A 65 -4.196 5.331 -3.799 1.00 0.00 N ATOM 1006 CD2 HIS A 65 -2.590 6.027 -2.494 1.00 0.00 C ATOM 1007 CE1 HIS A 65 -4.269 4.630 -2.681 1.00 0.00 C ATOM 1008 NE2 HIS A 65 -3.305 5.033 -1.873 1.00 0.00 N ATOM 0 H HIS A 65 -2.208 9.230 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 65 -4.617 8.029 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.756 6.625 -5.756 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.785 7.558 -4.635 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.818 5.229 -4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.741 6.555 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.994 3.859 -2.465 1.00 0.00 H new ATOM 1016 N HIS A 66 -3.436 9.562 -2.876 1.00 0.00 N ATOM 1017 CA HIS A 66 -3.790 10.043 -1.545 1.00 0.00 C ATOM 1018 C HIS A 66 -5.237 10.526 -1.509 1.00 0.00 C ATOM 1019 O HIS A 66 -5.883 10.504 -0.461 1.00 0.00 O ATOM 1020 CB HIS A 66 -2.852 11.175 -1.123 1.00 0.00 C ATOM 1021 CG HIS A 66 -1.573 10.695 -0.509 1.00 0.00 C ATOM 1022 ND1 HIS A 66 -0.464 10.350 -1.253 1.00 0.00 N ATOM 1023 CD2 HIS A 66 -1.229 10.505 0.786 1.00 0.00 C ATOM 1024 CE1 HIS A 66 0.506 9.967 -0.442 1.00 0.00 C ATOM 1025 NE2 HIS A 66 0.067 10.052 0.801 1.00 0.00 N ATOM 0 H HIS A 66 -2.526 9.879 -3.211 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.685 9.214 -0.846 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.620 11.787 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.369 11.818 -0.410 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -0.402 10.385 -2.271 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.857 10.678 1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.490 9.640 -0.744 1.00 0.00 H new ATOM 1033 N ARG A 67 -5.739 10.962 -2.659 1.00 0.00 N ATOM 1034 CA ARG A 67 -7.109 11.451 -2.758 1.00 0.00 C ATOM 1035 C ARG A 67 -8.091 10.443 -2.169 1.00 0.00 C ATOM 1036 O ARG A 67 -8.958 10.798 -1.370 1.00 0.00 O ATOM 1037 CB ARG A 67 -7.468 11.734 -4.218 1.00 0.00 C ATOM 1038 CG ARG A 67 -8.534 12.805 -4.387 1.00 0.00 C ATOM 1039 CD ARG A 67 -8.875 13.026 -5.852 1.00 0.00 C ATOM 1040 NE ARG A 67 -9.537 11.865 -6.441 1.00 0.00 N ATOM 1041 CZ ARG A 67 -9.966 11.823 -7.697 1.00 0.00 C ATOM 1042 NH1 ARG A 67 -9.803 12.871 -8.493 1.00 0.00 N ATOM 1043 NH2 ARG A 67 -10.560 10.730 -8.161 1.00 0.00 N ATOM 0 H ARG A 67 -5.218 10.987 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.179 12.377 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.569 12.041 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.815 10.811 -4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.433 12.514 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.185 13.740 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.522 13.898 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.963 13.244 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.677 11.042 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.347 13.713 -8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.134 12.835 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.687 9.921 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.889 10.699 -9.126 1.00 0.00 H new ATOM 1057 N VAL A 68 -7.949 9.183 -2.568 1.00 0.00 N ATOM 1058 CA VAL A 68 -8.822 8.122 -2.080 1.00 0.00 C ATOM 1059 C VAL A 68 -8.914 8.144 -0.558 1.00 0.00 C ATOM 1060 O VAL A 68 -9.860 7.614 0.025 1.00 0.00 O ATOM 1061 CB VAL A 68 -8.329 6.736 -2.533 1.00 0.00 C ATOM 1062 CG1 VAL A 68 -8.156 6.698 -4.044 1.00 0.00 C ATOM 1063 CG2 VAL A 68 -7.029 6.376 -1.831 1.00 0.00 C ATOM 0 H VAL A 68 -7.237 8.872 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.809 8.304 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.080 5.996 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.807 5.710 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.111 6.908 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.425 7.449 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.696 5.393 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.268 7.118 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.190 6.359 -0.753 1.00 0.00 H new ATOM 1073 N HIS A 69 -7.925 8.761 0.081 1.00 0.00 N ATOM 1074 CA HIS A 69 -7.895 8.853 1.536 1.00 0.00 C ATOM 1075 C HIS A 69 -7.893 10.311 1.988 1.00 0.00 C ATOM 1076 O HIS A 69 -6.890 11.012 1.856 1.00 0.00 O ATOM 1077 CB HIS A 69 -6.663 8.135 2.088 1.00 0.00 C ATOM 1078 CG HIS A 69 -6.425 6.792 1.469 1.00 0.00 C ATOM 1079 ND1 HIS A 69 -7.404 5.826 1.366 1.00 0.00 N ATOM 1080 CD2 HIS A 69 -5.312 6.257 0.916 1.00 0.00 C ATOM 1081 CE1 HIS A 69 -6.903 4.755 0.779 1.00 0.00 C ATOM 1082 NE2 HIS A 69 -5.635 4.990 0.495 1.00 0.00 N ATOM 0 H HIS A 69 -7.134 9.205 -0.386 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.792 8.371 1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.785 8.761 1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.775 8.015 3.166 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -8.365 5.924 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.349 6.737 0.823 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.439 3.842 0.567 1.00 0.00 H new ATOM 1090 N THR A 70 -9.024 10.761 2.522 1.00 0.00 N ATOM 1091 CA THR A 70 -9.154 12.134 2.992 1.00 0.00 C ATOM 1092 C THR A 70 -8.118 12.449 4.065 1.00 0.00 C ATOM 1093 O THR A 70 -7.506 11.546 4.634 1.00 0.00 O ATOM 1094 CB THR A 70 -10.561 12.403 3.559 1.00 0.00 C ATOM 1095 OG1 THR A 70 -10.894 11.409 4.535 1.00 0.00 O ATOM 1096 CG2 THR A 70 -11.602 12.400 2.449 1.00 0.00 C ATOM 0 H THR A 70 -9.864 10.194 2.640 1.00 0.00 H new ATOM 0 HA THR A 70 -8.988 12.780 2.130 1.00 0.00 H new ATOM 0 HB THR A 70 -10.557 13.386 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.789 11.588 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.587 12.592 2.874 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.362 13.177 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.603 11.429 1.954 1.00 0.00 H new ATOM 1104 N GLY A 71 -7.926 13.736 4.337 1.00 0.00 N ATOM 1105 CA GLY A 71 -6.963 14.146 5.342 1.00 0.00 C ATOM 1106 C GLY A 71 -7.171 15.578 5.794 1.00 0.00 C ATOM 1107 O GLY A 71 -7.639 16.417 5.024 1.00 0.00 O ATOM 0 H GLY A 71 -8.420 14.502 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.036 13.482 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.955 14.038 4.941 1.00 0.00 H new ATOM 1111 N SER A 72 -6.824 15.859 7.046 1.00 0.00 N ATOM 1112 CA SER A 72 -6.980 17.198 7.600 1.00 0.00 C ATOM 1113 C SER A 72 -5.698 17.654 8.290 1.00 0.00 C ATOM 1114 O SER A 72 -5.303 17.103 9.317 1.00 0.00 O ATOM 1115 CB SER A 72 -8.145 17.230 8.592 1.00 0.00 C ATOM 1116 OG SER A 72 -7.991 16.236 9.590 1.00 0.00 O ATOM 0 H SER A 72 -6.433 15.177 7.696 1.00 0.00 H new ATOM 0 HA SER A 72 -7.192 17.882 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.202 18.213 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.084 17.074 8.061 1.00 0.00 H new ATOM 0 HG SER A 72 -7.043 16.152 9.824 1.00 0.00 H new ATOM 1122 N GLY A 73 -5.051 18.664 7.716 1.00 0.00 N ATOM 1123 CA GLY A 73 -3.820 19.177 8.288 1.00 0.00 C ATOM 1124 C GLY A 73 -4.058 19.984 9.549 1.00 0.00 C ATOM 1125 O GLY A 73 -3.646 19.601 10.644 1.00 0.00 O ATOM 0 H GLY A 73 -5.357 19.136 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.153 18.345 8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.313 19.801 7.552 1.00 0.00 H new ATOM 1129 N PRO A 74 -4.738 21.131 9.402 1.00 0.00 N ATOM 1130 CA PRO A 74 -5.045 22.019 10.528 1.00 0.00 C ATOM 1131 C PRO A 74 -6.075 21.416 11.477 1.00 0.00 C ATOM 1132 O PRO A 74 -6.894 20.590 11.076 1.00 0.00 O ATOM 1133 CB PRO A 74 -5.611 23.269 9.849 1.00 0.00 C ATOM 1134 CG PRO A 74 -6.153 22.782 8.550 1.00 0.00 C ATOM 1135 CD PRO A 74 -5.260 21.649 8.127 1.00 0.00 C ATOM 0 HA PRO A 74 -4.168 22.213 11.146 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.391 23.730 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.838 24.022 9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.184 22.446 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.154 23.577 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.812 20.885 7.579 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.457 21.992 7.474 1.00 0.00 H new ATOM 1143 N SER A 75 -6.027 21.835 12.738 1.00 0.00 N ATOM 1144 CA SER A 75 -6.954 21.333 13.746 1.00 0.00 C ATOM 1145 C SER A 75 -8.051 22.354 14.031 1.00 0.00 C ATOM 1146 O SER A 75 -7.786 23.551 14.142 1.00 0.00 O ATOM 1147 CB SER A 75 -6.204 20.999 15.037 1.00 0.00 C ATOM 1148 OG SER A 75 -5.622 22.160 15.603 1.00 0.00 O ATOM 0 H SER A 75 -5.356 22.520 13.086 1.00 0.00 H new ATOM 0 HA SER A 75 -7.418 20.426 13.359 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.890 20.546 15.753 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.427 20.263 14.830 1.00 0.00 H new ATOM 0 HG SER A 75 -5.150 21.920 16.428 1.00 0.00 H new ATOM 1154 N SER A 76 -9.284 21.872 14.148 1.00 0.00 N ATOM 1155 CA SER A 76 -10.423 22.742 14.416 1.00 0.00 C ATOM 1156 C SER A 76 -11.534 21.978 15.131 1.00 0.00 C ATOM 1157 O SER A 76 -11.664 20.764 14.979 1.00 0.00 O ATOM 1158 CB SER A 76 -10.956 23.336 13.111 1.00 0.00 C ATOM 1159 OG SER A 76 -10.053 24.290 12.579 1.00 0.00 O ATOM 0 H SER A 76 -9.520 20.883 14.061 1.00 0.00 H new ATOM 0 HA SER A 76 -10.086 23.551 15.064 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.118 22.540 12.385 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.923 23.806 13.290 1.00 0.00 H new ATOM 0 HG SER A 76 -9.210 24.256 13.077 1.00 0.00 H new ATOM 1165 N GLY A 77 -12.332 22.700 15.912 1.00 0.00 N ATOM 1166 CA GLY A 77 -13.421 22.074 16.639 1.00 0.00 C ATOM 1167 C GLY A 77 -14.758 22.730 16.357 1.00 0.00 C ATOM 1168 O GLY A 77 -14.808 23.676 15.572 1.00 0.00 O ATOM 0 H GLY A 77 -12.244 23.706 16.054 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.474 21.019 16.371 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.215 22.121 17.708 1.00 0.00 H new TER 1172 GLY A 77 HETATM 1173 ZN ZN A 201 9.720 3.548 3.415 1.00 0.00 ZN HETATM 1174 ZN ZN A 401 -3.837 4.153 -0.097 1.00 0.00 ZN