USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 539 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 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.089 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 7:sc= 1.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.394 USER MOD Single : A 9 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.539 K(o=-0.54,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 170:sc= -2.79! USER MOD Single : A 29 TYR OH : rot 180:sc= 0.0517 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0515 (180deg=-0.344) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-3.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 72:sc= 0.64 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -56:sc= 0.0755 USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00791) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc=-0.00863 (180deg=-0.137) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.607 -32.408 -17.709 1.00 0.00 N ATOM 2 CA GLY A 1 1.919 -31.202 -17.287 1.00 0.00 C ATOM 3 C GLY A 1 2.803 -30.289 -16.462 1.00 0.00 C ATOM 4 O GLY A 1 3.951 -30.623 -16.169 1.00 0.00 O ATOM 0 H1 GLY A 1 2.756 -32.381 -18.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.527 -32.469 -17.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.032 -33.239 -17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.565 -30.663 -18.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.039 -31.474 -16.704 1.00 0.00 H new ATOM 8 N SER A 2 2.268 -29.131 -16.086 1.00 0.00 N ATOM 9 CA SER A 2 3.019 -28.164 -15.295 1.00 0.00 C ATOM 10 C SER A 2 2.097 -27.079 -14.746 1.00 0.00 C ATOM 11 O SER A 2 0.922 -27.008 -15.104 1.00 0.00 O ATOM 12 CB SER A 2 4.125 -27.528 -16.140 1.00 0.00 C ATOM 13 OG SER A 2 3.582 -26.836 -17.251 1.00 0.00 O ATOM 0 H SER A 2 1.318 -28.840 -16.317 1.00 0.00 H new ATOM 0 HA SER A 2 3.472 -28.693 -14.456 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.705 -26.839 -15.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.811 -28.300 -16.488 1.00 0.00 H new ATOM 0 HG SER A 2 4.308 -26.437 -17.775 1.00 0.00 H new ATOM 19 N SER A 3 2.640 -26.236 -13.873 1.00 0.00 N ATOM 20 CA SER A 3 1.866 -25.157 -13.270 1.00 0.00 C ATOM 21 C SER A 3 2.785 -24.125 -12.623 1.00 0.00 C ATOM 22 O SER A 3 4.000 -24.308 -12.568 1.00 0.00 O ATOM 23 CB SER A 3 0.897 -25.717 -12.227 1.00 0.00 C ATOM 24 OG SER A 3 -0.226 -26.321 -12.847 1.00 0.00 O ATOM 0 H SER A 3 3.612 -26.279 -13.568 1.00 0.00 H new ATOM 0 HA SER A 3 1.296 -24.667 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.411 -26.450 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.565 -24.916 -11.567 1.00 0.00 H new ATOM 0 HG SER A 3 -0.092 -26.343 -13.817 1.00 0.00 H new ATOM 30 N GLY A 4 2.194 -23.038 -12.136 1.00 0.00 N ATOM 31 CA GLY A 4 2.974 -21.992 -11.500 1.00 0.00 C ATOM 32 C GLY A 4 2.149 -21.156 -10.541 1.00 0.00 C ATOM 33 O GLY A 4 0.973 -21.438 -10.316 1.00 0.00 O ATOM 0 H GLY A 4 1.190 -22.863 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.808 -22.442 -10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.402 -21.345 -12.266 1.00 0.00 H new ATOM 37 N SER A 5 2.769 -20.126 -9.974 1.00 0.00 N ATOM 38 CA SER A 5 2.085 -19.251 -9.028 1.00 0.00 C ATOM 39 C SER A 5 2.723 -17.864 -9.015 1.00 0.00 C ATOM 40 O SER A 5 3.781 -17.649 -9.607 1.00 0.00 O ATOM 41 CB SER A 5 2.121 -19.854 -7.623 1.00 0.00 C ATOM 42 OG SER A 5 3.450 -20.145 -7.227 1.00 0.00 O ATOM 0 H SER A 5 3.742 -19.877 -10.153 1.00 0.00 H new ATOM 0 HA SER A 5 1.047 -19.153 -9.346 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.671 -19.159 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.523 -20.765 -7.599 1.00 0.00 H new ATOM 0 HG SER A 5 3.446 -20.528 -6.325 1.00 0.00 H new ATOM 48 N SER A 6 2.072 -16.927 -8.333 1.00 0.00 N ATOM 49 CA SER A 6 2.572 -15.560 -8.244 1.00 0.00 C ATOM 50 C SER A 6 2.107 -14.894 -6.952 1.00 0.00 C ATOM 51 O SER A 6 1.324 -15.465 -6.193 1.00 0.00 O ATOM 52 CB SER A 6 2.103 -14.744 -9.450 1.00 0.00 C ATOM 53 OG SER A 6 2.915 -14.995 -10.583 1.00 0.00 O ATOM 0 H SER A 6 1.197 -17.089 -7.834 1.00 0.00 H new ATOM 0 HA SER A 6 3.661 -15.597 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.067 -14.992 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.131 -13.682 -9.207 1.00 0.00 H new ATOM 0 HG SER A 6 3.354 -15.866 -10.484 1.00 0.00 H new ATOM 59 N GLY A 7 2.596 -13.682 -6.709 1.00 0.00 N ATOM 60 CA GLY A 7 2.220 -12.957 -5.509 1.00 0.00 C ATOM 61 C GLY A 7 1.984 -11.484 -5.772 1.00 0.00 C ATOM 62 O GLY A 7 2.820 -10.794 -6.357 1.00 0.00 O ATOM 0 H GLY A 7 3.246 -13.189 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.315 -13.398 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.004 -13.068 -4.760 1.00 0.00 H new ATOM 66 N PRO A 8 0.820 -10.979 -5.335 1.00 0.00 N ATOM 67 CA PRO A 8 0.450 -9.572 -5.515 1.00 0.00 C ATOM 68 C PRO A 8 1.291 -8.636 -4.656 1.00 0.00 C ATOM 69 O PRO A 8 1.809 -9.034 -3.612 1.00 0.00 O ATOM 70 CB PRO A 8 -1.016 -9.533 -5.073 1.00 0.00 C ATOM 71 CG PRO A 8 -1.158 -10.677 -4.130 1.00 0.00 C ATOM 72 CD PRO A 8 -0.222 -11.744 -4.629 1.00 0.00 C ATOM 0 HA PRO A 8 0.610 -9.236 -6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.258 -8.588 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.689 -9.636 -5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.903 -10.379 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.186 -11.039 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.195 -12.329 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.728 -12.443 -5.295 1.00 0.00 H new ATOM 80 N GLN A 9 1.423 -7.390 -5.100 1.00 0.00 N ATOM 81 CA GLN A 9 2.203 -6.397 -4.370 1.00 0.00 C ATOM 82 C GLN A 9 1.317 -5.604 -3.417 1.00 0.00 C ATOM 83 O GLN A 9 0.095 -5.581 -3.562 1.00 0.00 O ATOM 84 CB GLN A 9 2.901 -5.449 -5.346 1.00 0.00 C ATOM 85 CG GLN A 9 4.191 -6.010 -5.924 1.00 0.00 C ATOM 86 CD GLN A 9 5.178 -4.926 -6.308 1.00 0.00 C ATOM 87 OE1 GLN A 9 5.084 -3.790 -5.842 1.00 0.00 O ATOM 88 NE2 GLN A 9 6.134 -5.272 -7.163 1.00 0.00 N ATOM 0 H GLN A 9 1.000 -7.044 -5.961 1.00 0.00 H new ATOM 0 HA GLN A 9 2.957 -6.922 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.218 -5.215 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.119 -4.511 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.653 -6.675 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.959 -6.613 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.175 -6.225 -7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.828 -4.585 -7.458 1.00 0.00 H new ATOM 97 N ILE A 10 1.942 -4.953 -2.440 1.00 0.00 N ATOM 98 CA ILE A 10 1.209 -4.158 -1.463 1.00 0.00 C ATOM 99 C ILE A 10 1.738 -2.729 -1.410 1.00 0.00 C ATOM 100 O ILE A 10 2.888 -2.468 -1.766 1.00 0.00 O ATOM 101 CB ILE A 10 1.295 -4.777 -0.055 1.00 0.00 C ATOM 102 CG1 ILE A 10 2.709 -4.627 0.507 1.00 0.00 C ATOM 103 CG2 ILE A 10 0.888 -6.243 -0.096 1.00 0.00 C ATOM 104 CD1 ILE A 10 3.712 -5.571 -0.118 1.00 0.00 C ATOM 0 H ILE A 10 2.953 -4.961 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 10 0.167 -4.146 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 10 0.606 -4.246 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.044 -3.601 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.683 -4.798 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.954 -6.667 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.136 -6.326 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.555 -6.787 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.693 -5.408 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.400 -6.601 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.767 -5.385 -1.191 1.00 0.00 H new ATOM 116 N ASP A 11 0.892 -1.807 -0.962 1.00 0.00 N ATOM 117 CA ASP A 11 1.276 -0.404 -0.859 1.00 0.00 C ATOM 118 C ASP A 11 2.557 -0.248 -0.046 1.00 0.00 C ATOM 119 O ASP A 11 2.757 -0.938 0.954 1.00 0.00 O ATOM 120 CB ASP A 11 0.150 0.409 -0.219 1.00 0.00 C ATOM 121 CG ASP A 11 -0.835 0.939 -1.243 1.00 0.00 C ATOM 122 OD1 ASP A 11 -0.394 1.611 -2.199 1.00 0.00 O ATOM 123 OD2 ASP A 11 -2.049 0.682 -1.088 1.00 0.00 O ATOM 0 H ASP A 11 -0.063 -2.006 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 11 1.459 -0.029 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.380 -0.214 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.578 1.244 0.335 1.00 0.00 H new ATOM 128 N SER A 12 3.422 0.662 -0.482 1.00 0.00 N ATOM 129 CA SER A 12 4.686 0.904 0.203 1.00 0.00 C ATOM 130 C SER A 12 4.448 1.477 1.596 1.00 0.00 C ATOM 131 O SER A 12 5.016 1.004 2.581 1.00 0.00 O ATOM 132 CB SER A 12 5.558 1.862 -0.614 1.00 0.00 C ATOM 133 OG SER A 12 5.917 1.288 -1.859 1.00 0.00 O ATOM 0 H SER A 12 3.271 1.244 -1.306 1.00 0.00 H new ATOM 0 HA SER A 12 5.204 -0.050 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.020 2.795 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.458 2.110 -0.051 1.00 0.00 H new ATOM 0 HG SER A 12 6.472 1.920 -2.363 1.00 0.00 H new ATOM 139 N SER A 13 3.605 2.502 1.671 1.00 0.00 N ATOM 140 CA SER A 13 3.294 3.145 2.942 1.00 0.00 C ATOM 141 C SER A 13 1.786 3.304 3.116 1.00 0.00 C ATOM 142 O SER A 13 1.155 4.116 2.442 1.00 0.00 O ATOM 143 CB SER A 13 3.975 4.512 3.028 1.00 0.00 C ATOM 144 OG SER A 13 5.386 4.380 3.019 1.00 0.00 O ATOM 0 H SER A 13 3.125 2.905 0.866 1.00 0.00 H new ATOM 0 HA SER A 13 3.670 2.509 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.659 5.133 2.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.660 5.022 3.938 1.00 0.00 H new ATOM 0 HG SER A 13 5.798 5.268 3.073 1.00 0.00 H new ATOM 150 N ARG A 14 1.217 2.521 4.026 1.00 0.00 N ATOM 151 CA ARG A 14 -0.217 2.572 4.289 1.00 0.00 C ATOM 152 C ARG A 14 -0.492 2.655 5.787 1.00 0.00 C ATOM 153 O ARG A 14 0.420 2.523 6.604 1.00 0.00 O ATOM 154 CB ARG A 14 -0.909 1.343 3.699 1.00 0.00 C ATOM 155 CG ARG A 14 -2.399 1.535 3.465 1.00 0.00 C ATOM 156 CD ARG A 14 -2.949 0.505 2.491 1.00 0.00 C ATOM 157 NE ARG A 14 -3.290 -0.748 3.155 1.00 0.00 N ATOM 158 CZ ARG A 14 -2.425 -1.737 3.353 1.00 0.00 C ATOM 159 NH1 ARG A 14 -1.172 -1.616 2.938 1.00 0.00 N ATOM 160 NH2 ARG A 14 -2.812 -2.848 3.965 1.00 0.00 N ATOM 0 H ARG A 14 1.726 1.844 4.594 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.617 3.468 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.432 1.087 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.761 0.497 4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.930 1.459 4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.581 2.537 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.835 0.908 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.212 0.313 1.712 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.247 -0.872 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.871 -0.763 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.509 -2.376 3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.776 -2.945 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.146 -3.606 4.116 1.00 0.00 H new ATOM 174 N ILE A 15 -1.755 2.872 6.141 1.00 0.00 N ATOM 175 CA ILE A 15 -2.149 2.972 7.540 1.00 0.00 C ATOM 176 C ILE A 15 -3.340 2.069 7.841 1.00 0.00 C ATOM 177 O ILE A 15 -4.318 2.044 7.092 1.00 0.00 O ATOM 178 CB ILE A 15 -2.508 4.421 7.922 1.00 0.00 C ATOM 179 CG1 ILE A 15 -1.312 5.345 7.688 1.00 0.00 C ATOM 180 CG2 ILE A 15 -2.961 4.488 9.373 1.00 0.00 C ATOM 181 CD1 ILE A 15 -0.093 4.974 8.504 1.00 0.00 C ATOM 0 H ILE A 15 -2.522 2.982 5.478 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.293 2.650 8.133 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.330 4.756 7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.050 5.327 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.602 6.368 7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.211 5.518 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.839 3.856 9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.158 4.138 10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.716 5.672 8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.338 5.020 9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.222 3.962 8.248 1.00 0.00 H new ATOM 193 N ARG A 16 -3.252 1.329 8.942 1.00 0.00 N ATOM 194 CA ARG A 16 -4.322 0.424 9.341 1.00 0.00 C ATOM 195 C ARG A 16 -4.392 0.302 10.861 1.00 0.00 C ATOM 196 O ARG A 16 -3.445 -0.156 11.501 1.00 0.00 O ATOM 197 CB ARG A 16 -4.112 -0.957 8.718 1.00 0.00 C ATOM 198 CG ARG A 16 -2.725 -1.530 8.961 1.00 0.00 C ATOM 199 CD ARG A 16 -1.731 -1.045 7.918 1.00 0.00 C ATOM 200 NE ARG A 16 -0.383 -1.543 8.174 1.00 0.00 N ATOM 201 CZ ARG A 16 0.685 -0.760 8.268 1.00 0.00 C ATOM 202 NH1 ARG A 16 0.563 0.553 8.127 1.00 0.00 N ATOM 203 NH2 ARG A 16 1.880 -1.288 8.502 1.00 0.00 N ATOM 0 H ARG A 16 -2.451 1.339 9.573 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.265 0.837 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.856 -1.645 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.286 -0.892 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.381 -1.243 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.772 -2.619 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.056 -1.369 6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.719 0.045 7.908 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.254 -2.549 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.353 0.964 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.385 1.152 8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.979 -2.297 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.699 -0.684 8.574 1.00 0.00 H new ATOM 217 N SER A 17 -5.520 0.716 11.432 1.00 0.00 N ATOM 218 CA SER A 17 -5.710 0.657 12.877 1.00 0.00 C ATOM 219 C SER A 17 -6.502 -0.587 13.270 1.00 0.00 C ATOM 220 O SER A 17 -5.965 -1.510 13.882 1.00 0.00 O ATOM 221 CB SER A 17 -6.435 1.912 13.367 1.00 0.00 C ATOM 222 OG SER A 17 -5.512 2.917 13.750 1.00 0.00 O ATOM 0 H SER A 17 -6.314 1.095 10.917 1.00 0.00 H new ATOM 0 HA SER A 17 -4.728 0.605 13.347 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.085 2.292 12.578 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.074 1.660 14.213 1.00 0.00 H new ATOM 0 HG SER A 17 -6.000 3.709 14.058 1.00 0.00 H new ATOM 228 N HIS A 18 -7.782 -0.604 12.913 1.00 0.00 N ATOM 229 CA HIS A 18 -8.649 -1.734 13.227 1.00 0.00 C ATOM 230 C HIS A 18 -8.025 -3.044 12.755 1.00 0.00 C ATOM 231 O HIS A 18 -7.931 -3.300 11.553 1.00 0.00 O ATOM 232 CB HIS A 18 -10.022 -1.547 12.581 1.00 0.00 C ATOM 233 CG HIS A 18 -10.906 -0.592 13.321 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.248 -0.823 13.537 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.633 0.602 13.898 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.763 0.188 14.213 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.804 1.066 14.446 1.00 0.00 N ATOM 0 H HIS A 18 -8.242 0.152 12.406 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.769 -1.778 14.309 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.889 -1.189 11.560 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.519 -2.515 12.517 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.674 1.097 13.923 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.793 0.281 14.523 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.915 1.945 14.951 1.00 0.00 H new ATOM 245 N ILE A 19 -7.601 -3.869 13.706 1.00 0.00 N ATOM 246 CA ILE A 19 -6.987 -5.152 13.386 1.00 0.00 C ATOM 247 C ILE A 19 -8.024 -6.270 13.378 1.00 0.00 C ATOM 248 O ILE A 19 -8.963 -6.268 14.175 1.00 0.00 O ATOM 249 CB ILE A 19 -5.873 -5.508 14.388 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.104 -4.250 14.798 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.929 -6.539 13.787 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.664 -3.575 16.031 1.00 0.00 C ATOM 0 H ILE A 19 -7.671 -3.672 14.704 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.552 -5.055 12.391 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.331 -5.938 15.279 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.062 -4.514 14.980 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.114 -3.542 13.970 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.147 -6.780 14.507 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.486 -7.443 13.540 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.476 -6.134 12.882 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.070 -2.691 16.263 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.697 -3.280 15.847 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.629 -4.267 16.872 1.00 0.00 H new ATOM 264 N CYS A 20 -7.847 -7.226 12.472 1.00 0.00 N ATOM 265 CA CYS A 20 -8.766 -8.353 12.360 1.00 0.00 C ATOM 266 C CYS A 20 -8.767 -9.184 13.640 1.00 0.00 C ATOM 267 O CYS A 20 -7.711 -9.509 14.183 1.00 0.00 O ATOM 268 CB CYS A 20 -8.383 -9.232 11.168 1.00 0.00 C ATOM 269 SG CYS A 20 -9.091 -10.910 11.226 1.00 0.00 S ATOM 0 H CYS A 20 -7.076 -7.243 11.805 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.770 -7.958 12.204 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.709 -8.743 10.250 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.297 -9.309 11.120 1.00 0.00 H new ATOM 274 N SER A 21 -9.960 -9.525 14.116 1.00 0.00 N ATOM 275 CA SER A 21 -10.099 -10.315 15.334 1.00 0.00 C ATOM 276 C SER A 21 -9.699 -11.766 15.088 1.00 0.00 C ATOM 277 O SER A 21 -8.998 -12.375 15.898 1.00 0.00 O ATOM 278 CB SER A 21 -11.539 -10.250 15.847 1.00 0.00 C ATOM 279 OG SER A 21 -11.659 -10.885 17.109 1.00 0.00 O ATOM 0 H SER A 21 -10.844 -9.267 13.677 1.00 0.00 H new ATOM 0 HA SER A 21 -9.433 -9.896 16.088 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.853 -9.209 15.928 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.206 -10.729 15.130 1.00 0.00 H new ATOM 0 HG SER A 21 -12.588 -10.829 17.416 1.00 0.00 H new ATOM 285 N HIS A 22 -10.151 -12.316 13.966 1.00 0.00 N ATOM 286 CA HIS A 22 -9.841 -13.697 13.613 1.00 0.00 C ATOM 287 C HIS A 22 -8.332 -13.920 13.566 1.00 0.00 C ATOM 288 O HIS A 22 -7.595 -13.204 12.888 1.00 0.00 O ATOM 289 CB HIS A 22 -10.462 -14.051 12.260 1.00 0.00 C ATOM 290 CG HIS A 22 -10.631 -15.524 12.046 1.00 0.00 C ATOM 291 ND1 HIS A 22 -11.354 -16.331 12.898 1.00 0.00 N ATOM 292 CD2 HIS A 22 -10.164 -16.335 11.068 1.00 0.00 C ATOM 293 CE1 HIS A 22 -11.325 -17.575 12.454 1.00 0.00 C ATOM 294 NE2 HIS A 22 -10.609 -17.604 11.344 1.00 0.00 N ATOM 0 H HIS A 22 -10.733 -11.827 13.286 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.263 -14.346 14.380 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.435 -13.566 12.178 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.836 -13.646 11.465 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.555 -16.039 10.227 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.805 -18.423 12.919 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.418 -18.434 10.783 1.00 0.00 H new ATOM 302 N PRO A 23 -7.861 -14.936 14.304 1.00 0.00 N ATOM 303 CA PRO A 23 -6.436 -15.277 14.364 1.00 0.00 C ATOM 304 C PRO A 23 -5.925 -15.863 13.053 1.00 0.00 C ATOM 305 O PRO A 23 -6.682 -16.465 12.293 1.00 0.00 O ATOM 306 CB PRO A 23 -6.368 -16.323 15.479 1.00 0.00 C ATOM 307 CG PRO A 23 -7.727 -16.931 15.513 1.00 0.00 C ATOM 308 CD PRO A 23 -8.682 -15.832 15.136 1.00 0.00 C ATOM 0 HA PRO A 23 -5.815 -14.400 14.545 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.604 -17.073 15.272 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.115 -15.866 16.436 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.798 -17.766 14.816 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.955 -17.323 16.504 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.540 -16.217 14.585 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.071 -15.319 16.015 1.00 0.00 H new ATOM 316 N GLY A 24 -4.633 -15.683 12.792 1.00 0.00 N ATOM 317 CA GLY A 24 -4.042 -16.200 11.572 1.00 0.00 C ATOM 318 C GLY A 24 -4.322 -15.317 10.373 1.00 0.00 C ATOM 319 O GLY A 24 -3.448 -15.104 9.531 1.00 0.00 O ATOM 0 H GLY A 24 -3.985 -15.188 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.964 -16.295 11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.429 -17.201 11.380 1.00 0.00 H new ATOM 323 N CYS A 25 -5.544 -14.800 10.292 1.00 0.00 N ATOM 324 CA CYS A 25 -5.938 -13.936 9.186 1.00 0.00 C ATOM 325 C CYS A 25 -4.907 -12.832 8.964 1.00 0.00 C ATOM 326 O CYS A 25 -4.331 -12.714 7.884 1.00 0.00 O ATOM 327 CB CYS A 25 -7.312 -13.320 9.456 1.00 0.00 C ATOM 328 SG CYS A 25 -8.013 -12.414 8.040 1.00 0.00 S ATOM 0 H CYS A 25 -6.279 -14.965 10.980 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.992 -14.545 8.284 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.003 -14.112 9.745 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.233 -12.641 10.305 1.00 0.00 H new ATOM 333 N GLY A 26 -4.681 -12.025 9.998 1.00 0.00 N ATOM 334 CA GLY A 26 -3.721 -10.943 9.896 1.00 0.00 C ATOM 335 C GLY A 26 -4.162 -9.866 8.923 1.00 0.00 C ATOM 336 O GLY A 26 -3.422 -9.505 8.008 1.00 0.00 O ATOM 0 H GLY A 26 -5.146 -12.102 10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.572 -10.500 10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.759 -11.344 9.578 1.00 0.00 H new ATOM 340 N LYS A 27 -5.371 -9.353 9.120 1.00 0.00 N ATOM 341 CA LYS A 27 -5.912 -8.311 8.254 1.00 0.00 C ATOM 342 C LYS A 27 -6.347 -7.098 9.069 1.00 0.00 C ATOM 343 O LYS A 27 -7.154 -7.214 9.992 1.00 0.00 O ATOM 344 CB LYS A 27 -7.096 -8.851 7.450 1.00 0.00 C ATOM 345 CG LYS A 27 -7.323 -8.124 6.137 1.00 0.00 C ATOM 346 CD LYS A 27 -6.464 -8.702 5.024 1.00 0.00 C ATOM 347 CE LYS A 27 -7.157 -9.869 4.336 1.00 0.00 C ATOM 348 NZ LYS A 27 -6.484 -10.238 3.059 1.00 0.00 N ATOM 0 H LYS A 27 -5.996 -9.642 9.872 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.126 -8.001 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.933 -9.909 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.999 -8.779 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.375 -8.193 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.095 -7.066 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.244 -7.925 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.510 -9.034 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.167 -10.731 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.196 -9.608 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.985 -11.037 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.497 -9.424 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.499 -10.511 3.252 1.00 0.00 H new ATOM 362 N THR A 28 -5.809 -5.933 8.722 1.00 0.00 N ATOM 363 CA THR A 28 -6.143 -4.698 9.421 1.00 0.00 C ATOM 364 C THR A 28 -6.583 -3.614 8.442 1.00 0.00 C ATOM 365 O THR A 28 -6.063 -3.520 7.330 1.00 0.00 O ATOM 366 CB THR A 28 -4.949 -4.177 10.242 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.467 -5.207 11.113 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.345 -2.958 11.061 1.00 0.00 C ATOM 0 H THR A 28 -5.140 -5.819 7.961 1.00 0.00 H new ATOM 0 HA THR A 28 -6.966 -4.930 10.097 1.00 0.00 H new ATOM 0 HB THR A 28 -4.159 -3.888 9.549 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.616 -4.927 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.485 -2.608 11.632 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.684 -2.166 10.394 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.151 -3.225 11.745 1.00 0.00 H new ATOM 376 N TYR A 29 -7.543 -2.800 8.863 1.00 0.00 N ATOM 377 CA TYR A 29 -8.055 -1.723 8.023 1.00 0.00 C ATOM 378 C TYR A 29 -8.067 -0.399 8.782 1.00 0.00 C ATOM 379 O TYR A 29 -8.246 -0.369 9.999 1.00 0.00 O ATOM 380 CB TYR A 29 -9.465 -2.056 7.533 1.00 0.00 C ATOM 381 CG TYR A 29 -9.523 -3.270 6.633 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.476 -4.554 7.162 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.623 -3.132 5.254 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.527 -5.665 6.344 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.676 -4.238 4.428 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.628 -5.503 4.977 1.00 0.00 C ATOM 387 OH TYR A 29 -9.680 -6.606 4.158 1.00 0.00 O ATOM 0 H TYR A 29 -7.983 -2.865 9.781 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.394 -1.622 7.163 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.110 -2.223 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.866 -1.197 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.398 -4.685 8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.660 -2.143 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.488 -6.656 6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.755 -4.113 3.358 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.751 -6.317 3.224 1.00 0.00 H new ATOM 397 N PHE A 30 -7.877 0.695 8.051 1.00 0.00 N ATOM 398 CA PHE A 30 -7.865 2.023 8.653 1.00 0.00 C ATOM 399 C PHE A 30 -9.277 2.461 9.030 1.00 0.00 C ATOM 400 O PHE A 30 -9.529 2.879 10.160 1.00 0.00 O ATOM 401 CB PHE A 30 -7.244 3.037 7.690 1.00 0.00 C ATOM 402 CG PHE A 30 -7.599 2.792 6.251 1.00 0.00 C ATOM 403 CD1 PHE A 30 -6.874 1.890 5.490 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.655 3.465 5.660 1.00 0.00 C ATOM 405 CE1 PHE A 30 -7.198 1.661 4.165 1.00 0.00 C ATOM 406 CE2 PHE A 30 -8.984 3.242 4.336 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.253 2.339 3.587 1.00 0.00 C ATOM 0 H PHE A 30 -7.729 0.688 7.042 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.263 1.978 9.560 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.569 4.039 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.160 3.012 7.798 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.046 1.359 5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.228 4.173 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.627 0.953 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.811 3.772 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.506 2.164 2.552 1.00 0.00 H new ATOM 417 N LYS A 31 -10.195 2.364 8.074 1.00 0.00 N ATOM 418 CA LYS A 31 -11.583 2.750 8.304 1.00 0.00 C ATOM 419 C LYS A 31 -12.214 1.887 9.391 1.00 0.00 C ATOM 420 O LYS A 31 -12.587 0.739 9.147 1.00 0.00 O ATOM 421 CB LYS A 31 -12.388 2.627 7.008 1.00 0.00 C ATOM 422 CG LYS A 31 -12.244 3.826 6.086 1.00 0.00 C ATOM 423 CD LYS A 31 -12.995 5.034 6.621 1.00 0.00 C ATOM 424 CE LYS A 31 -12.571 6.312 5.912 1.00 0.00 C ATOM 425 NZ LYS A 31 -11.167 6.687 6.239 1.00 0.00 N ATOM 0 H LYS A 31 -10.003 2.021 7.133 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.596 3.788 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.070 1.730 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.441 2.494 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.189 4.074 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.621 3.572 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.067 4.884 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.813 5.133 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.670 6.180 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.240 7.124 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.015 7.692 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.992 6.526 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.513 6.105 5.678 1.00 0.00 H new ATOM 439 N SER A 32 -12.333 2.448 10.590 1.00 0.00 N ATOM 440 CA SER A 32 -12.918 1.728 11.716 1.00 0.00 C ATOM 441 C SER A 32 -14.087 0.860 11.258 1.00 0.00 C ATOM 442 O SER A 32 -14.341 -0.205 11.821 1.00 0.00 O ATOM 443 CB SER A 32 -13.389 2.712 12.789 1.00 0.00 C ATOM 444 OG SER A 32 -14.326 3.634 12.259 1.00 0.00 O ATOM 0 H SER A 32 -12.032 3.398 10.807 1.00 0.00 H new ATOM 0 HA SER A 32 -12.150 1.080 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.841 2.164 13.616 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.532 3.251 13.194 1.00 0.00 H new ATOM 0 HG SER A 32 -14.613 4.251 12.964 1.00 0.00 H new ATOM 450 N SER A 33 -14.794 1.324 10.232 1.00 0.00 N ATOM 451 CA SER A 33 -15.938 0.593 9.700 1.00 0.00 C ATOM 452 C SER A 33 -15.481 -0.630 8.910 1.00 0.00 C ATOM 453 O SER A 33 -15.967 -1.740 9.126 1.00 0.00 O ATOM 454 CB SER A 33 -16.781 1.505 8.808 1.00 0.00 C ATOM 455 OG SER A 33 -17.692 2.271 9.578 1.00 0.00 O ATOM 0 H SER A 33 -14.595 2.202 9.753 1.00 0.00 H new ATOM 0 HA SER A 33 -16.546 0.255 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.128 2.170 8.243 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.329 0.904 8.082 1.00 0.00 H new ATOM 0 HG SER A 33 -18.218 2.847 8.985 1.00 0.00 H new ATOM 461 N HIS A 34 -14.542 -0.417 7.992 1.00 0.00 N ATOM 462 CA HIS A 34 -14.019 -1.502 7.169 1.00 0.00 C ATOM 463 C HIS A 34 -14.019 -2.818 7.940 1.00 0.00 C ATOM 464 O HIS A 34 -14.628 -3.800 7.513 1.00 0.00 O ATOM 465 CB HIS A 34 -12.602 -1.173 6.697 1.00 0.00 C ATOM 466 CG HIS A 34 -12.559 -0.468 5.377 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.438 0.185 4.908 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.507 -0.317 4.422 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.699 0.709 3.724 1.00 0.00 C ATOM 470 NE2 HIS A 34 -12.947 0.417 3.406 1.00 0.00 N ATOM 0 H HIS A 34 -14.129 0.496 7.800 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.668 -1.612 6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.113 -0.552 7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.028 -2.097 6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.515 -0.702 4.454 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.009 1.279 3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.419 0.692 2.545 1.00 0.00 H new ATOM 478 N LEU A 35 -13.331 -2.832 9.076 1.00 0.00 N ATOM 479 CA LEU A 35 -13.251 -4.028 9.908 1.00 0.00 C ATOM 480 C LEU A 35 -14.601 -4.736 9.974 1.00 0.00 C ATOM 481 O LEU A 35 -14.684 -5.954 9.813 1.00 0.00 O ATOM 482 CB LEU A 35 -12.783 -3.663 11.318 1.00 0.00 C ATOM 483 CG LEU A 35 -12.467 -4.838 12.245 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.271 -5.621 11.727 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.212 -4.344 13.661 1.00 0.00 C ATOM 0 H LEU A 35 -12.820 -2.029 9.442 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.527 -4.707 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.891 -3.042 11.234 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.553 -3.052 11.788 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.329 -5.505 12.263 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.062 -6.453 12.400 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.492 -6.006 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.401 -4.966 11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.989 -5.193 14.308 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.366 -3.656 13.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.098 -3.829 14.032 1.00 0.00 H new ATOM 497 N LYS A 36 -15.656 -3.965 10.212 1.00 0.00 N ATOM 498 CA LYS A 36 -17.004 -4.516 10.297 1.00 0.00 C ATOM 499 C LYS A 36 -17.344 -5.315 9.043 1.00 0.00 C ATOM 500 O LYS A 36 -17.957 -6.379 9.122 1.00 0.00 O ATOM 501 CB LYS A 36 -18.025 -3.393 10.493 1.00 0.00 C ATOM 502 CG LYS A 36 -19.466 -3.867 10.443 1.00 0.00 C ATOM 503 CD LYS A 36 -20.429 -2.769 10.864 1.00 0.00 C ATOM 504 CE LYS A 36 -20.536 -1.685 9.801 1.00 0.00 C ATOM 505 NZ LYS A 36 -21.658 -0.746 10.080 1.00 0.00 N ATOM 0 H LYS A 36 -15.604 -2.956 10.350 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.043 -5.187 11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.843 -2.911 11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.873 -2.637 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.707 -4.196 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.589 -4.730 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.414 -3.198 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.093 -2.328 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.600 -1.129 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.683 -2.147 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.699 -0.022 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.555 -1.273 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.505 -0.286 11.000 1.00 0.00 H new ATOM 519 N ALA A 37 -16.942 -4.795 7.888 1.00 0.00 N ATOM 520 CA ALA A 37 -17.202 -5.462 6.619 1.00 0.00 C ATOM 521 C ALA A 37 -16.272 -6.655 6.424 1.00 0.00 C ATOM 522 O ALA A 37 -16.664 -7.675 5.857 1.00 0.00 O ATOM 523 CB ALA A 37 -17.053 -4.480 5.467 1.00 0.00 C ATOM 0 H ALA A 37 -16.435 -3.914 7.805 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.227 -5.833 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.250 -4.992 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.763 -3.663 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.039 -4.081 5.458 1.00 0.00 H new ATOM 529 N HIS A 38 -15.037 -6.520 6.897 1.00 0.00 N ATOM 530 CA HIS A 38 -14.050 -7.586 6.776 1.00 0.00 C ATOM 531 C HIS A 38 -14.453 -8.797 7.612 1.00 0.00 C ATOM 532 O HIS A 38 -14.405 -9.934 7.141 1.00 0.00 O ATOM 533 CB HIS A 38 -12.672 -7.086 7.210 1.00 0.00 C ATOM 534 CG HIS A 38 -11.674 -8.185 7.415 1.00 0.00 C ATOM 535 ND1 HIS A 38 -10.754 -8.555 6.457 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.454 -8.994 8.478 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.013 -9.546 6.920 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.417 -9.831 8.145 1.00 0.00 N ATOM 0 H HIS A 38 -14.696 -5.682 7.368 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.004 -7.889 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.291 -6.396 6.457 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.774 -6.522 8.137 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -10.660 -8.130 5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.993 -8.983 9.414 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.213 -10.039 6.388 1.00 0.00 H new ATOM 546 N THR A 39 -14.849 -8.546 8.856 1.00 0.00 N ATOM 547 CA THR A 39 -15.258 -9.616 9.758 1.00 0.00 C ATOM 548 C THR A 39 -16.159 -10.620 9.047 1.00 0.00 C ATOM 549 O THR A 39 -16.115 -11.817 9.332 1.00 0.00 O ATOM 550 CB THR A 39 -15.998 -9.059 10.989 1.00 0.00 C ATOM 551 OG1 THR A 39 -15.162 -8.126 11.683 1.00 0.00 O ATOM 552 CG2 THR A 39 -16.403 -10.183 11.931 1.00 0.00 C ATOM 0 H THR A 39 -14.895 -7.611 9.262 1.00 0.00 H new ATOM 0 HA THR A 39 -14.348 -10.119 10.087 1.00 0.00 H new ATOM 0 HB THR A 39 -16.899 -8.552 10.645 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.081 -7.304 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.924 -9.766 12.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.063 -10.876 11.409 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.513 -10.714 12.268 1.00 0.00 H new ATOM 560 N ARG A 40 -16.974 -10.125 8.123 1.00 0.00 N ATOM 561 CA ARG A 40 -17.886 -10.979 7.372 1.00 0.00 C ATOM 562 C ARG A 40 -17.174 -12.237 6.883 1.00 0.00 C ATOM 563 O ARG A 40 -17.653 -13.354 7.084 1.00 0.00 O ATOM 564 CB ARG A 40 -18.472 -10.217 6.182 1.00 0.00 C ATOM 565 CG ARG A 40 -19.121 -8.897 6.565 1.00 0.00 C ATOM 566 CD ARG A 40 -20.306 -9.107 7.495 1.00 0.00 C ATOM 567 NE ARG A 40 -21.334 -8.087 7.311 1.00 0.00 N ATOM 568 CZ ARG A 40 -22.285 -8.159 6.387 1.00 0.00 C ATOM 569 NH1 ARG A 40 -22.338 -9.199 5.566 1.00 0.00 N ATOM 570 NH2 ARG A 40 -23.185 -7.190 6.282 1.00 0.00 N ATOM 0 H ARG A 40 -17.022 -9.137 7.876 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.696 -11.276 8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.680 -10.026 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.212 -10.846 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.385 -8.256 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.451 -8.378 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.737 -10.092 7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.962 -9.092 8.529 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.321 -7.274 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.647 -9.946 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.069 -9.252 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.147 -6.388 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.915 -7.247 5.572 1.00 0.00 H new ATOM 584 N THR A 41 -16.026 -12.049 6.239 1.00 0.00 N ATOM 585 CA THR A 41 -15.249 -13.167 5.719 1.00 0.00 C ATOM 586 C THR A 41 -15.252 -14.338 6.693 1.00 0.00 C ATOM 587 O THR A 41 -15.145 -15.496 6.288 1.00 0.00 O ATOM 588 CB THR A 41 -13.792 -12.754 5.435 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.071 -13.856 4.875 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.105 -12.284 6.708 1.00 0.00 C ATOM 0 H THR A 41 -15.614 -11.132 6.065 1.00 0.00 H new ATOM 0 HA THR A 41 -15.721 -13.473 4.785 1.00 0.00 H new ATOM 0 HB THR A 41 -13.803 -11.929 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.146 -13.585 4.696 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.078 -11.998 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.640 -11.426 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.104 -13.091 7.440 1.00 0.00 H new ATOM 598 N HIS A 42 -15.374 -14.030 7.981 1.00 0.00 N ATOM 599 CA HIS A 42 -15.392 -15.061 9.014 1.00 0.00 C ATOM 600 C HIS A 42 -16.795 -15.228 9.589 1.00 0.00 C ATOM 601 O HIS A 42 -17.373 -14.286 10.132 1.00 0.00 O ATOM 602 CB HIS A 42 -14.410 -14.708 10.132 1.00 0.00 C ATOM 603 CG HIS A 42 -13.116 -14.140 9.635 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.190 -14.880 8.929 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.596 -12.895 9.743 1.00 0.00 C ATOM 606 CE1 HIS A 42 -11.157 -14.116 8.626 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.378 -12.906 9.109 1.00 0.00 N ATOM 0 H HIS A 42 -15.462 -13.077 8.334 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.090 -16.004 8.558 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.879 -13.989 10.803 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.203 -15.603 10.719 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.288 -15.864 8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.054 -12.050 10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.281 -14.427 8.077 1.00 0.00 H new ATOM 615 N THR A 43 -17.339 -16.435 9.467 1.00 0.00 N ATOM 616 CA THR A 43 -18.675 -16.726 9.972 1.00 0.00 C ATOM 617 C THR A 43 -19.682 -15.685 9.497 1.00 0.00 C ATOM 618 O THR A 43 -20.645 -15.374 10.196 1.00 0.00 O ATOM 619 CB THR A 43 -18.694 -16.778 11.511 1.00 0.00 C ATOM 620 OG1 THR A 43 -19.828 -17.528 11.963 1.00 0.00 O ATOM 621 CG2 THR A 43 -18.741 -15.376 12.099 1.00 0.00 C ATOM 0 H THR A 43 -16.875 -17.227 9.023 1.00 0.00 H new ATOM 0 HA THR A 43 -18.955 -17.703 9.579 1.00 0.00 H new ATOM 0 HB THR A 43 -17.779 -17.266 11.847 1.00 0.00 H new ATOM 0 HG1 THR A 43 -20.647 -17.140 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.754 -15.438 13.187 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.862 -14.817 11.778 1.00 0.00 H new ATOM 0 HG23 THR A 43 -19.641 -14.867 11.754 1.00 0.00 H new ATOM 629 N GLY A 44 -19.453 -15.149 8.302 1.00 0.00 N ATOM 630 CA GLY A 44 -20.349 -14.148 7.754 1.00 0.00 C ATOM 631 C GLY A 44 -20.708 -14.422 6.307 1.00 0.00 C ATOM 632 O GLY A 44 -21.847 -14.210 5.893 1.00 0.00 O ATOM 0 H GLY A 44 -18.663 -15.390 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -21.260 -14.114 8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.882 -13.166 7.830 1.00 0.00 H new ATOM 636 N GLU A 45 -19.732 -14.891 5.536 1.00 0.00 N ATOM 637 CA GLU A 45 -19.952 -15.191 4.125 1.00 0.00 C ATOM 638 C GLU A 45 -19.965 -16.698 3.885 1.00 0.00 C ATOM 639 O GLU A 45 -19.609 -17.482 4.766 1.00 0.00 O ATOM 640 CB GLU A 45 -18.867 -14.536 3.267 1.00 0.00 C ATOM 641 CG GLU A 45 -19.326 -14.201 1.858 1.00 0.00 C ATOM 642 CD GLU A 45 -20.663 -13.487 1.834 1.00 0.00 C ATOM 643 OE1 GLU A 45 -20.998 -12.822 2.837 1.00 0.00 O ATOM 644 OE2 GLU A 45 -21.375 -13.594 0.813 1.00 0.00 O ATOM 0 H GLU A 45 -18.783 -15.071 5.863 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.924 -14.787 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.530 -13.623 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.007 -15.204 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.576 -13.575 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.398 -15.119 1.276 1.00 0.00 H new ATOM 651 N LYS A 46 -20.378 -17.097 2.686 1.00 0.00 N ATOM 652 CA LYS A 46 -20.437 -18.508 2.328 1.00 0.00 C ATOM 653 C LYS A 46 -19.476 -18.820 1.185 1.00 0.00 C ATOM 654 O LYS A 46 -19.615 -18.316 0.070 1.00 0.00 O ATOM 655 CB LYS A 46 -21.863 -18.895 1.929 1.00 0.00 C ATOM 656 CG LYS A 46 -22.833 -18.932 3.097 1.00 0.00 C ATOM 657 CD LYS A 46 -23.296 -17.536 3.483 1.00 0.00 C ATOM 658 CE LYS A 46 -24.364 -17.582 4.564 1.00 0.00 C ATOM 659 NZ LYS A 46 -23.813 -18.035 5.870 1.00 0.00 N ATOM 0 H LYS A 46 -20.677 -16.462 1.946 1.00 0.00 H new ATOM 0 HA LYS A 46 -20.139 -19.091 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.229 -18.186 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -21.844 -19.875 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -23.697 -19.543 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -22.355 -19.407 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -22.445 -16.954 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -23.689 -17.026 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -24.806 -16.592 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -25.165 -18.254 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -24.561 -18.004 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -23.460 -19.009 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -23.032 -17.409 6.153 1.00 0.00 H new ATOM 673 N PRO A 47 -18.479 -19.673 1.465 1.00 0.00 N ATOM 674 CA PRO A 47 -17.477 -20.073 0.472 1.00 0.00 C ATOM 675 C PRO A 47 -18.065 -20.964 -0.617 1.00 0.00 C ATOM 676 O PRO A 47 -17.881 -20.708 -1.807 1.00 0.00 O ATOM 677 CB PRO A 47 -16.448 -20.847 1.300 1.00 0.00 C ATOM 678 CG PRO A 47 -17.210 -21.353 2.475 1.00 0.00 C ATOM 679 CD PRO A 47 -18.254 -20.312 2.773 1.00 0.00 C ATOM 0 HA PRO A 47 -17.061 -19.216 -0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -16.014 -21.666 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.624 -20.204 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -17.671 -22.316 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.552 -21.502 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -19.168 -20.759 3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.906 -19.595 3.516 1.00 0.00 H new ATOM 687 N PHE A 48 -18.770 -22.010 -0.203 1.00 0.00 N ATOM 688 CA PHE A 48 -19.384 -22.940 -1.144 1.00 0.00 C ATOM 689 C PHE A 48 -20.642 -22.337 -1.762 1.00 0.00 C ATOM 690 O PHE A 48 -21.344 -21.551 -1.125 1.00 0.00 O ATOM 691 CB PHE A 48 -19.726 -24.256 -0.443 1.00 0.00 C ATOM 692 CG PHE A 48 -18.522 -25.087 -0.106 1.00 0.00 C ATOM 693 CD1 PHE A 48 -17.864 -25.810 -1.089 1.00 0.00 C ATOM 694 CD2 PHE A 48 -18.046 -25.146 1.195 1.00 0.00 C ATOM 695 CE1 PHE A 48 -16.755 -26.575 -0.782 1.00 0.00 C ATOM 696 CE2 PHE A 48 -16.938 -25.909 1.507 1.00 0.00 C ATOM 697 CZ PHE A 48 -16.292 -26.626 0.518 1.00 0.00 C ATOM 0 H PHE A 48 -18.931 -22.236 0.779 1.00 0.00 H new ATOM 0 HA PHE A 48 -18.668 -23.137 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -20.275 -24.038 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -20.391 -24.837 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.223 -25.775 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.547 -24.589 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -16.251 -27.132 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.576 -25.945 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.427 -27.225 0.761 1.00 0.00 H new ATOM 707 N SER A 49 -20.920 -22.710 -3.007 1.00 0.00 N ATOM 708 CA SER A 49 -22.090 -22.203 -3.714 1.00 0.00 C ATOM 709 C SER A 49 -22.556 -23.196 -4.774 1.00 0.00 C ATOM 710 O SER A 49 -21.750 -23.906 -5.374 1.00 0.00 O ATOM 711 CB SER A 49 -21.775 -20.854 -4.364 1.00 0.00 C ATOM 712 OG SER A 49 -20.632 -20.945 -5.197 1.00 0.00 O ATOM 0 H SER A 49 -20.351 -23.362 -3.547 1.00 0.00 H new ATOM 0 HA SER A 49 -22.893 -22.069 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 49 -22.631 -20.520 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 49 -21.607 -20.104 -3.591 1.00 0.00 H new ATOM 0 HG SER A 49 -20.452 -20.071 -5.602 1.00 0.00 H new ATOM 718 N CYS A 50 -23.865 -23.240 -5.000 1.00 0.00 N ATOM 719 CA CYS A 50 -24.442 -24.145 -5.986 1.00 0.00 C ATOM 720 C CYS A 50 -25.035 -23.366 -7.157 1.00 0.00 C ATOM 721 O CYS A 50 -26.075 -22.721 -7.025 1.00 0.00 O ATOM 722 CB CYS A 50 -25.521 -25.016 -5.341 1.00 0.00 C ATOM 723 SG CYS A 50 -26.690 -25.753 -6.527 1.00 0.00 S ATOM 0 H CYS A 50 -24.547 -22.658 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 50 -23.645 -24.786 -6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -25.039 -25.815 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -26.079 -24.413 -4.624 1.00 0.00 H new ATOM 728 N SER A 51 -24.365 -23.432 -8.304 1.00 0.00 N ATOM 729 CA SER A 51 -24.822 -22.731 -9.498 1.00 0.00 C ATOM 730 C SER A 51 -25.588 -23.674 -10.421 1.00 0.00 C ATOM 731 O SER A 51 -24.993 -24.475 -11.142 1.00 0.00 O ATOM 732 CB SER A 51 -23.634 -22.123 -10.244 1.00 0.00 C ATOM 733 OG SER A 51 -24.068 -21.187 -11.216 1.00 0.00 O ATOM 0 H SER A 51 -23.504 -23.964 -8.431 1.00 0.00 H new ATOM 0 HA SER A 51 -25.493 -21.931 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 51 -22.967 -21.633 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 51 -23.060 -22.914 -10.727 1.00 0.00 H new ATOM 0 HG SER A 51 -23.290 -20.811 -11.678 1.00 0.00 H new ATOM 739 N TRP A 52 -26.913 -23.574 -10.393 1.00 0.00 N ATOM 740 CA TRP A 52 -27.761 -24.417 -11.226 1.00 0.00 C ATOM 741 C TRP A 52 -28.575 -23.575 -12.203 1.00 0.00 C ATOM 742 O TRP A 52 -29.570 -24.038 -12.759 1.00 0.00 O ATOM 743 CB TRP A 52 -28.698 -25.254 -10.354 1.00 0.00 C ATOM 744 CG TRP A 52 -29.642 -26.109 -11.145 1.00 0.00 C ATOM 745 CD1 TRP A 52 -31.005 -26.098 -11.083 1.00 0.00 C ATOM 746 CD2 TRP A 52 -29.290 -27.101 -12.115 1.00 0.00 C ATOM 747 NE1 TRP A 52 -31.523 -27.023 -11.956 1.00 0.00 N ATOM 748 CE2 TRP A 52 -30.492 -27.651 -12.603 1.00 0.00 C ATOM 749 CE3 TRP A 52 -28.077 -27.577 -12.622 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -30.514 -28.653 -13.570 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -28.100 -28.571 -13.581 1.00 0.00 C ATOM 752 CH2 TRP A 52 -29.312 -29.100 -14.048 1.00 0.00 C ATOM 0 H TRP A 52 -27.422 -22.917 -9.802 1.00 0.00 H new ATOM 0 HA TRP A 52 -27.116 -25.083 -11.799 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -28.102 -25.892 -9.701 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -29.274 -24.589 -9.710 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -31.591 -25.456 -10.442 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -32.515 -27.212 -12.099 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -27.139 -27.175 -12.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -31.446 -29.063 -13.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -27.169 -28.947 -13.978 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -29.297 -29.875 -14.800 1.00 0.00 H new ATOM 763 N LYS A 53 -28.144 -22.334 -12.408 1.00 0.00 N ATOM 764 CA LYS A 53 -28.831 -21.427 -13.319 1.00 0.00 C ATOM 765 C LYS A 53 -30.232 -21.102 -12.811 1.00 0.00 C ATOM 766 O LYS A 53 -31.180 -21.010 -13.590 1.00 0.00 O ATOM 767 CB LYS A 53 -28.914 -22.041 -14.718 1.00 0.00 C ATOM 768 CG LYS A 53 -27.560 -22.221 -15.384 1.00 0.00 C ATOM 769 CD LYS A 53 -27.686 -22.271 -16.898 1.00 0.00 C ATOM 770 CE LYS A 53 -28.245 -23.606 -17.365 1.00 0.00 C ATOM 771 NZ LYS A 53 -27.255 -24.708 -17.209 1.00 0.00 N ATOM 0 H LYS A 53 -27.322 -21.934 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 53 -28.258 -20.501 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -29.409 -23.010 -14.652 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -29.538 -21.407 -15.348 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -26.902 -21.400 -15.100 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -27.097 -23.140 -15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.336 -21.464 -17.237 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -26.709 -22.105 -17.352 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -29.144 -23.842 -16.796 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -28.541 -23.530 -18.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -27.565 -25.534 -17.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -26.326 -24.391 -17.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -27.182 -24.969 -16.205 1.00 0.00 H new ATOM 785 N GLY A 54 -30.356 -20.930 -11.498 1.00 0.00 N ATOM 786 CA GLY A 54 -31.645 -20.617 -10.910 1.00 0.00 C ATOM 787 C GLY A 54 -31.680 -20.881 -9.417 1.00 0.00 C ATOM 788 O GLY A 54 -32.346 -20.165 -8.668 1.00 0.00 O ATOM 0 H GLY A 54 -29.587 -21.002 -10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -31.881 -19.569 -11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -32.418 -21.210 -11.399 1.00 0.00 H new ATOM 792 N CYS A 55 -30.963 -21.911 -8.983 1.00 0.00 N ATOM 793 CA CYS A 55 -30.915 -22.269 -7.571 1.00 0.00 C ATOM 794 C CYS A 55 -30.214 -21.185 -6.757 1.00 0.00 C ATOM 795 O CYS A 55 -30.843 -20.486 -5.964 1.00 0.00 O ATOM 796 CB CYS A 55 -30.195 -23.607 -7.386 1.00 0.00 C ATOM 797 SG CYS A 55 -30.083 -24.158 -5.653 1.00 0.00 S ATOM 0 H CYS A 55 -30.406 -22.513 -9.590 1.00 0.00 H new ATOM 0 HA CYS A 55 -31.940 -22.362 -7.212 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -30.714 -24.370 -7.966 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -29.188 -23.525 -7.796 1.00 0.00 H new ATOM 802 N GLU A 56 -28.907 -21.051 -6.962 1.00 0.00 N ATOM 803 CA GLU A 56 -28.120 -20.053 -6.247 1.00 0.00 C ATOM 804 C GLU A 56 -28.174 -20.293 -4.742 1.00 0.00 C ATOM 805 O GLU A 56 -28.322 -19.356 -3.957 1.00 0.00 O ATOM 806 CB GLU A 56 -28.630 -18.646 -6.569 1.00 0.00 C ATOM 807 CG GLU A 56 -28.578 -18.303 -8.047 1.00 0.00 C ATOM 808 CD GLU A 56 -29.256 -16.984 -8.365 1.00 0.00 C ATOM 809 OE1 GLU A 56 -30.487 -16.984 -8.571 1.00 0.00 O ATOM 810 OE2 GLU A 56 -28.554 -15.952 -8.407 1.00 0.00 O ATOM 0 H GLU A 56 -28.371 -21.621 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 56 -27.084 -20.141 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -29.658 -18.553 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -28.037 -17.918 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -27.538 -18.259 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -29.055 -19.099 -8.618 1.00 0.00 H new ATOM 817 N ARG A 57 -28.054 -21.556 -4.346 1.00 0.00 N ATOM 818 CA ARG A 57 -28.090 -21.921 -2.935 1.00 0.00 C ATOM 819 C ARG A 57 -26.691 -22.250 -2.423 1.00 0.00 C ATOM 820 O ARG A 57 -26.122 -23.288 -2.764 1.00 0.00 O ATOM 821 CB ARG A 57 -29.018 -23.118 -2.719 1.00 0.00 C ATOM 822 CG ARG A 57 -30.491 -22.785 -2.889 1.00 0.00 C ATOM 823 CD ARG A 57 -31.086 -22.220 -1.610 1.00 0.00 C ATOM 824 NE ARG A 57 -32.405 -21.634 -1.831 1.00 0.00 N ATOM 825 CZ ARG A 57 -32.594 -20.387 -2.247 1.00 0.00 C ATOM 826 NH1 ARG A 57 -31.555 -19.599 -2.486 1.00 0.00 N ATOM 827 NH2 ARG A 57 -33.826 -19.925 -2.426 1.00 0.00 N ATOM 0 H ARG A 57 -27.931 -22.344 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.472 -21.068 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -28.749 -23.907 -3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.857 -23.515 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -30.611 -22.063 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -31.037 -23.683 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -31.162 -23.012 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -30.417 -21.462 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 57 -33.226 -22.214 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -30.607 -19.950 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -31.704 -18.642 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -34.628 -20.528 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -33.970 -18.967 -2.746 1.00 0.00 H new ATOM 841 N ARG A 58 -26.143 -21.361 -1.601 1.00 0.00 N ATOM 842 CA ARG A 58 -24.809 -21.556 -1.044 1.00 0.00 C ATOM 843 C ARG A 58 -24.890 -22.008 0.412 1.00 0.00 C ATOM 844 O ARG A 58 -25.888 -21.770 1.093 1.00 0.00 O ATOM 845 CB ARG A 58 -23.998 -20.262 -1.142 1.00 0.00 C ATOM 846 CG ARG A 58 -24.774 -19.023 -0.727 1.00 0.00 C ATOM 847 CD ARG A 58 -23.947 -17.761 -0.912 1.00 0.00 C ATOM 848 NE ARG A 58 -24.063 -17.223 -2.264 1.00 0.00 N ATOM 849 CZ ARG A 58 -23.119 -17.351 -3.190 1.00 0.00 C ATOM 850 NH1 ARG A 58 -21.995 -17.996 -2.911 1.00 0.00 N ATOM 851 NH2 ARG A 58 -23.299 -16.834 -4.399 1.00 0.00 N ATOM 0 H ARG A 58 -26.602 -20.499 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 58 -24.311 -22.334 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -23.111 -20.351 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -23.652 -20.137 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -25.688 -18.950 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -25.074 -19.113 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -24.270 -17.008 -0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.901 -17.979 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 58 -24.916 -16.721 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.853 -18.396 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.272 -18.093 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.163 -16.338 -4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.574 -16.933 -5.109 1.00 0.00 H new ATOM 865 N PHE A 59 -23.833 -22.662 0.882 1.00 0.00 N ATOM 866 CA PHE A 59 -23.785 -23.149 2.255 1.00 0.00 C ATOM 867 C PHE A 59 -22.378 -23.012 2.832 1.00 0.00 C ATOM 868 O PHE A 59 -21.388 -23.101 2.108 1.00 0.00 O ATOM 869 CB PHE A 59 -24.233 -24.610 2.317 1.00 0.00 C ATOM 870 CG PHE A 59 -25.583 -24.850 1.701 1.00 0.00 C ATOM 871 CD1 PHE A 59 -26.735 -24.732 2.460 1.00 0.00 C ATOM 872 CD2 PHE A 59 -25.696 -25.193 0.363 1.00 0.00 C ATOM 873 CE1 PHE A 59 -27.979 -24.951 1.896 1.00 0.00 C ATOM 874 CE2 PHE A 59 -26.937 -25.413 -0.206 1.00 0.00 C ATOM 875 CZ PHE A 59 -28.079 -25.293 0.562 1.00 0.00 C ATOM 0 H PHE A 59 -22.999 -22.867 0.332 1.00 0.00 H new ATOM 0 HA PHE A 59 -24.465 -22.542 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -23.495 -25.230 1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -24.255 -24.931 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -26.662 -24.466 3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -24.806 -25.289 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -28.870 -24.855 2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -27.013 -25.678 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 59 -29.049 -25.466 0.120 1.00 0.00 H new ATOM 885 N ALA A 60 -22.301 -22.795 4.141 1.00 0.00 N ATOM 886 CA ALA A 60 -21.017 -22.647 4.816 1.00 0.00 C ATOM 887 C ALA A 60 -20.213 -23.942 4.755 1.00 0.00 C ATOM 888 O ALA A 60 -19.065 -23.951 4.309 1.00 0.00 O ATOM 889 CB ALA A 60 -21.226 -22.221 6.260 1.00 0.00 C ATOM 0 H ALA A 60 -23.112 -22.718 4.755 1.00 0.00 H new ATOM 0 HA ALA A 60 -20.450 -21.873 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -20.259 -22.114 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -21.753 -21.267 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -21.816 -22.975 6.780 1.00 0.00 H new ATOM 895 N ARG A 61 -20.822 -25.033 5.206 1.00 0.00 N ATOM 896 CA ARG A 61 -20.161 -26.333 5.205 1.00 0.00 C ATOM 897 C ARG A 61 -20.020 -26.869 3.784 1.00 0.00 C ATOM 898 O ARG A 61 -20.689 -26.402 2.863 1.00 0.00 O ATOM 899 CB ARG A 61 -20.947 -27.329 6.061 1.00 0.00 C ATOM 900 CG ARG A 61 -20.070 -28.353 6.763 1.00 0.00 C ATOM 901 CD ARG A 61 -19.387 -27.758 7.984 1.00 0.00 C ATOM 902 NE ARG A 61 -18.558 -28.738 8.680 1.00 0.00 N ATOM 903 CZ ARG A 61 -18.136 -28.589 9.931 1.00 0.00 C ATOM 904 NH1 ARG A 61 -18.464 -27.504 10.619 1.00 0.00 N ATOM 905 NH2 ARG A 61 -17.385 -29.525 10.495 1.00 0.00 N ATOM 0 H ARG A 61 -21.772 -25.043 5.577 1.00 0.00 H new ATOM 0 HA ARG A 61 -19.165 -26.207 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.520 -26.780 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -21.666 -27.851 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -20.676 -29.207 7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.317 -28.725 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.770 -26.913 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.142 -27.370 8.668 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.288 -29.584 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.041 -26.782 10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.139 -27.391 11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.131 -30.361 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.062 -29.409 11.455 1.00 0.00 H new ATOM 919 N SER A 62 -19.141 -27.852 3.613 1.00 0.00 N ATOM 920 CA SER A 62 -18.907 -28.449 2.303 1.00 0.00 C ATOM 921 C SER A 62 -19.873 -29.603 2.052 1.00 0.00 C ATOM 922 O SER A 62 -20.349 -29.797 0.932 1.00 0.00 O ATOM 923 CB SER A 62 -17.464 -28.944 2.196 1.00 0.00 C ATOM 924 OG SER A 62 -17.218 -30.001 3.108 1.00 0.00 O ATOM 0 H SER A 62 -18.579 -28.252 4.365 1.00 0.00 H new ATOM 0 HA SER A 62 -19.078 -27.684 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.267 -29.284 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.778 -28.121 2.395 1.00 0.00 H new ATOM 0 HG SER A 62 -16.289 -30.301 3.019 1.00 0.00 H new ATOM 930 N ASP A 63 -20.158 -30.367 3.100 1.00 0.00 N ATOM 931 CA ASP A 63 -21.068 -31.502 2.996 1.00 0.00 C ATOM 932 C ASP A 63 -22.466 -31.042 2.596 1.00 0.00 C ATOM 933 O ASP A 63 -23.063 -31.578 1.662 1.00 0.00 O ATOM 934 CB ASP A 63 -21.126 -32.260 4.323 1.00 0.00 C ATOM 935 CG ASP A 63 -19.786 -32.850 4.712 1.00 0.00 C ATOM 936 OD1 ASP A 63 -19.175 -33.542 3.872 1.00 0.00 O ATOM 937 OD2 ASP A 63 -19.347 -32.619 5.859 1.00 0.00 O ATOM 0 H ASP A 63 -19.772 -30.221 4.033 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.690 -32.170 2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -21.464 -31.585 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -21.864 -33.059 4.250 1.00 0.00 H new ATOM 942 N GLU A 64 -22.983 -30.046 3.309 1.00 0.00 N ATOM 943 CA GLU A 64 -24.313 -29.517 3.030 1.00 0.00 C ATOM 944 C GLU A 64 -24.528 -29.354 1.527 1.00 0.00 C ATOM 945 O GLU A 64 -25.575 -29.726 0.995 1.00 0.00 O ATOM 946 CB GLU A 64 -24.508 -28.172 3.733 1.00 0.00 C ATOM 947 CG GLU A 64 -24.837 -28.299 5.210 1.00 0.00 C ATOM 948 CD GLU A 64 -24.177 -29.504 5.853 1.00 0.00 C ATOM 949 OE1 GLU A 64 -22.932 -29.592 5.811 1.00 0.00 O ATOM 950 OE2 GLU A 64 -24.907 -30.360 6.397 1.00 0.00 O ATOM 0 H GLU A 64 -22.501 -29.590 4.084 1.00 0.00 H new ATOM 0 HA GLU A 64 -25.047 -30.227 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -23.601 -27.578 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.310 -27.625 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -24.518 -27.395 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.918 -28.373 5.333 1.00 0.00 H new ATOM 957 N LEU A 65 -23.532 -28.796 0.850 1.00 0.00 N ATOM 958 CA LEU A 65 -23.611 -28.582 -0.591 1.00 0.00 C ATOM 959 C LEU A 65 -23.703 -29.912 -1.334 1.00 0.00 C ATOM 960 O LEU A 65 -24.570 -30.099 -2.187 1.00 0.00 O ATOM 961 CB LEU A 65 -22.392 -27.797 -1.078 1.00 0.00 C ATOM 962 CG LEU A 65 -22.249 -27.651 -2.594 1.00 0.00 C ATOM 963 CD1 LEU A 65 -23.424 -26.876 -3.169 1.00 0.00 C ATOM 964 CD2 LEU A 65 -20.935 -26.967 -2.942 1.00 0.00 C ATOM 0 H LEU A 65 -22.659 -28.483 1.275 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.513 -28.006 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.428 -26.800 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.495 -28.283 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 65 -22.246 -28.647 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -23.305 -26.782 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -24.351 -27.406 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -23.460 -25.883 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -20.850 -26.871 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.909 -25.977 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.104 -27.562 -2.564 1.00 0.00 H new ATOM 976 N SER A 66 -22.803 -30.833 -1.002 1.00 0.00 N ATOM 977 CA SER A 66 -22.782 -32.144 -1.639 1.00 0.00 C ATOM 978 C SER A 66 -24.121 -32.854 -1.466 1.00 0.00 C ATOM 979 O SER A 66 -24.627 -33.484 -2.395 1.00 0.00 O ATOM 980 CB SER A 66 -21.659 -33.001 -1.052 1.00 0.00 C ATOM 981 OG SER A 66 -20.435 -32.772 -1.730 1.00 0.00 O ATOM 0 H SER A 66 -22.080 -30.695 -0.296 1.00 0.00 H new ATOM 0 HA SER A 66 -22.602 -32.000 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 66 -21.540 -32.774 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 66 -21.926 -34.055 -1.124 1.00 0.00 H new ATOM 0 HG SER A 66 -19.733 -33.330 -1.335 1.00 0.00 H new ATOM 987 N ARG A 67 -24.690 -32.747 -0.270 1.00 0.00 N ATOM 988 CA ARG A 67 -25.970 -33.379 0.028 1.00 0.00 C ATOM 989 C ARG A 67 -27.119 -32.609 -0.616 1.00 0.00 C ATOM 990 O ARG A 67 -28.181 -33.169 -0.890 1.00 0.00 O ATOM 991 CB ARG A 67 -26.183 -33.465 1.540 1.00 0.00 C ATOM 992 CG ARG A 67 -25.652 -34.747 2.159 1.00 0.00 C ATOM 993 CD ARG A 67 -25.668 -34.681 3.678 1.00 0.00 C ATOM 994 NE ARG A 67 -27.029 -34.695 4.210 1.00 0.00 N ATOM 995 CZ ARG A 67 -27.714 -33.595 4.504 1.00 0.00 C ATOM 996 NH1 ARG A 67 -27.169 -32.401 4.317 1.00 0.00 N ATOM 997 NH2 ARG A 67 -28.947 -33.690 4.985 1.00 0.00 N ATOM 0 H ARG A 67 -24.285 -32.228 0.509 1.00 0.00 H new ATOM 0 HA ARG A 67 -25.953 -34.387 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -25.696 -32.613 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -27.249 -33.383 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -26.255 -35.591 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -24.634 -34.925 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -25.111 -35.525 4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -25.159 -33.775 4.007 1.00 0.00 H new ATOM 0 HE ARG A 67 -27.477 -35.598 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -26.222 -32.325 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -27.697 -31.558 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -29.369 -34.607 5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -29.473 -32.846 5.211 1.00 0.00 H new ATOM 1011 N HIS A 68 -26.900 -31.320 -0.855 1.00 0.00 N ATOM 1012 CA HIS A 68 -27.917 -30.471 -1.466 1.00 0.00 C ATOM 1013 C HIS A 68 -27.838 -30.540 -2.988 1.00 0.00 C ATOM 1014 O HIS A 68 -28.803 -30.221 -3.684 1.00 0.00 O ATOM 1015 CB HIS A 68 -27.753 -29.024 -1.000 1.00 0.00 C ATOM 1016 CG HIS A 68 -28.284 -28.017 -1.973 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -29.459 -27.325 -1.774 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -27.791 -27.586 -3.158 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -29.668 -26.513 -2.794 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -28.670 -26.651 -3.648 1.00 0.00 N ATOM 0 H HIS A 68 -26.027 -30.840 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 68 -28.895 -30.836 -1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -28.264 -28.899 -0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -26.696 -28.825 -0.825 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -30.072 -27.425 -0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -26.877 -27.916 -3.630 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -30.512 -25.849 -2.910 1.00 0.00 H new ATOM 1028 N ARG A 69 -26.683 -30.956 -3.497 1.00 0.00 N ATOM 1029 CA ARG A 69 -26.479 -31.063 -4.937 1.00 0.00 C ATOM 1030 C ARG A 69 -26.806 -32.470 -5.430 1.00 0.00 C ATOM 1031 O ARG A 69 -27.455 -32.643 -6.461 1.00 0.00 O ATOM 1032 CB ARG A 69 -25.034 -30.709 -5.296 1.00 0.00 C ATOM 1033 CG ARG A 69 -24.802 -30.540 -6.789 1.00 0.00 C ATOM 1034 CD ARG A 69 -25.206 -29.153 -7.263 1.00 0.00 C ATOM 1035 NE ARG A 69 -24.448 -28.734 -8.439 1.00 0.00 N ATOM 1036 CZ ARG A 69 -24.758 -29.094 -9.679 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -25.805 -29.876 -9.905 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -24.020 -28.671 -10.698 1.00 0.00 N ATOM 0 H ARG A 69 -25.875 -31.224 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 69 -27.152 -30.359 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -24.758 -29.786 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -24.373 -31.490 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -23.750 -30.711 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -25.372 -31.292 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -26.271 -29.146 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -25.051 -28.435 -6.457 1.00 0.00 H new ATOM 0 HE ARG A 69 -23.636 -28.132 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -26.375 -30.203 -9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -26.040 -30.150 -10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -23.214 -28.069 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -24.259 -28.948 -11.650 1.00 0.00 H new ATOM 1052 N ARG A 70 -26.352 -33.473 -4.684 1.00 0.00 N ATOM 1053 CA ARG A 70 -26.594 -34.864 -5.045 1.00 0.00 C ATOM 1054 C ARG A 70 -28.045 -35.070 -5.472 1.00 0.00 C ATOM 1055 O ARG A 70 -28.346 -35.941 -6.289 1.00 0.00 O ATOM 1056 CB ARG A 70 -26.262 -35.784 -3.870 1.00 0.00 C ATOM 1057 CG ARG A 70 -27.358 -35.850 -2.819 1.00 0.00 C ATOM 1058 CD ARG A 70 -27.010 -36.832 -1.711 1.00 0.00 C ATOM 1059 NE ARG A 70 -27.895 -36.692 -0.558 1.00 0.00 N ATOM 1060 CZ ARG A 70 -27.771 -37.409 0.554 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -26.805 -38.310 0.663 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -28.615 -37.223 1.561 1.00 0.00 N ATOM 0 H ARG A 70 -25.815 -33.347 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 70 -25.946 -35.113 -5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -26.072 -36.788 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -25.340 -35.441 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -27.514 -34.859 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -28.296 -36.147 -3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -27.074 -37.850 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -25.978 -36.674 -1.397 1.00 0.00 H new ATOM 0 HE ARG A 70 -28.649 -36.007 -0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -26.153 -38.455 -0.108 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -26.713 -38.858 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -29.359 -36.530 1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -28.520 -37.773 2.414 1.00 0.00 H new ATOM 1076 N THR A 71 -28.941 -34.263 -4.912 1.00 0.00 N ATOM 1077 CA THR A 71 -30.360 -34.358 -5.232 1.00 0.00 C ATOM 1078 C THR A 71 -30.663 -33.719 -6.583 1.00 0.00 C ATOM 1079 O THR A 71 -31.435 -34.257 -7.377 1.00 0.00 O ATOM 1080 CB THR A 71 -31.225 -33.682 -4.152 1.00 0.00 C ATOM 1081 OG1 THR A 71 -32.613 -33.832 -4.472 1.00 0.00 O ATOM 1082 CG2 THR A 71 -30.885 -32.204 -4.032 1.00 0.00 C ATOM 0 H THR A 71 -28.709 -33.536 -4.235 1.00 0.00 H new ATOM 0 HA THR A 71 -30.605 -35.419 -5.272 1.00 0.00 H new ATOM 0 HB THR A 71 -31.017 -34.165 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 71 -33.157 -33.401 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 71 -31.509 -31.748 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 71 -29.835 -32.093 -3.760 1.00 0.00 H new ATOM 0 HG23 THR A 71 -31.067 -31.710 -4.987 1.00 0.00 H new ATOM 1090 N HIS A 72 -30.049 -32.568 -6.839 1.00 0.00 N ATOM 1091 CA HIS A 72 -30.251 -31.857 -8.096 1.00 0.00 C ATOM 1092 C HIS A 72 -30.221 -32.822 -9.277 1.00 0.00 C ATOM 1093 O HIS A 72 -31.142 -32.847 -10.093 1.00 0.00 O ATOM 1094 CB HIS A 72 -29.181 -30.779 -8.275 1.00 0.00 C ATOM 1095 CG HIS A 72 -29.566 -29.452 -7.697 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -30.772 -28.838 -7.959 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -28.896 -28.621 -6.864 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -30.827 -27.686 -7.314 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -29.701 -27.531 -6.642 1.00 0.00 N ATOM 0 H HIS A 72 -29.408 -32.108 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 72 -31.232 -31.382 -8.063 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -28.256 -31.115 -7.807 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -28.974 -30.657 -9.338 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -31.507 -29.214 -8.557 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -27.912 -28.785 -6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -31.652 -26.990 -7.333 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.871 -11.512 9.158 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -28.756 -26.030 -5.601 1.00 0.00 ZN