USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 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 Set 1.1: A 18 HIS :FLIP no HE2:sc= -3.69 F(o=-5.8!,f=-2.9) USER MOD Set 1.2: A 32 SER OG : rot 36:sc= 0.74 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.067 USER MOD Single : A 6 SER OG : rot 35:sc= 0.881 USER MOD Single : A 9 GLN : amide:sc=-0.000299 K(o=-0.0003,f=-0.73) USER MOD Single : A 12 SER OG : rot 180:sc= -0.132 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 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 29 TYR OH : rot 30:sc= 0.0665 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-2.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 76:sc= 0.108 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 48:sc= 0.273 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 176:sc= 0 (180deg=-0.00954) USER MOD Single : A 62 SER OG : rot 180:sc= -0.143 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -80:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.360 38.492 -13.858 1.00 0.00 N ATOM 2 CA GLY A 1 4.216 37.500 -12.808 1.00 0.00 C ATOM 3 C GLY A 1 3.266 37.946 -11.715 1.00 0.00 C ATOM 4 O GLY A 1 3.642 38.717 -10.832 1.00 0.00 O ATOM 0 H1 GLY A 1 5.019 38.139 -14.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.433 38.673 -14.294 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.731 39.375 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.854 36.567 -13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.193 37.292 -12.373 1.00 0.00 H new ATOM 8 N SER A 2 2.030 37.462 -11.772 1.00 0.00 N ATOM 9 CA SER A 2 1.021 37.820 -10.783 1.00 0.00 C ATOM 10 C SER A 2 1.150 36.950 -9.536 1.00 0.00 C ATOM 11 O SER A 2 1.412 37.448 -8.442 1.00 0.00 O ATOM 12 CB SER A 2 -0.381 37.675 -11.377 1.00 0.00 C ATOM 13 OG SER A 2 -0.692 38.766 -12.226 1.00 0.00 O ATOM 0 H SER A 2 1.703 36.820 -12.494 1.00 0.00 H new ATOM 0 HA SER A 2 1.181 38.860 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.446 36.743 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.115 37.615 -10.573 1.00 0.00 H new ATOM 0 HG SER A 2 -1.593 38.648 -12.594 1.00 0.00 H new ATOM 19 N SER A 3 0.965 35.645 -9.711 1.00 0.00 N ATOM 20 CA SER A 3 1.056 34.705 -8.601 1.00 0.00 C ATOM 21 C SER A 3 1.212 33.275 -9.112 1.00 0.00 C ATOM 22 O SER A 3 0.946 32.988 -10.278 1.00 0.00 O ATOM 23 CB SER A 3 -0.185 34.809 -7.713 1.00 0.00 C ATOM 24 OG SER A 3 0.107 34.423 -6.381 1.00 0.00 O ATOM 0 H SER A 3 0.751 35.215 -10.611 1.00 0.00 H new ATOM 0 HA SER A 3 1.937 34.960 -8.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.559 35.833 -7.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.977 34.176 -8.113 1.00 0.00 H new ATOM 0 HG SER A 3 -0.702 34.500 -5.833 1.00 0.00 H new ATOM 30 N GLY A 4 1.645 32.382 -8.227 1.00 0.00 N ATOM 31 CA GLY A 4 1.830 30.992 -8.606 1.00 0.00 C ATOM 32 C GLY A 4 2.377 30.150 -7.471 1.00 0.00 C ATOM 33 O GLY A 4 3.504 30.356 -7.023 1.00 0.00 O ATOM 0 H GLY A 4 1.871 32.595 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.877 30.578 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.511 30.938 -9.455 1.00 0.00 H new ATOM 37 N SER A 5 1.574 29.200 -7.002 1.00 0.00 N ATOM 38 CA SER A 5 1.982 28.326 -5.907 1.00 0.00 C ATOM 39 C SER A 5 1.303 26.964 -6.017 1.00 0.00 C ATOM 40 O SER A 5 0.207 26.848 -6.567 1.00 0.00 O ATOM 41 CB SER A 5 1.647 28.969 -4.561 1.00 0.00 C ATOM 42 OG SER A 5 2.202 30.269 -4.464 1.00 0.00 O ATOM 0 H SER A 5 0.638 29.016 -7.363 1.00 0.00 H new ATOM 0 HA SER A 5 3.060 28.181 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.565 29.022 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.029 28.346 -3.752 1.00 0.00 H new ATOM 0 HG SER A 5 1.972 30.659 -3.595 1.00 0.00 H new ATOM 48 N SER A 6 1.961 25.937 -5.490 1.00 0.00 N ATOM 49 CA SER A 6 1.423 24.582 -5.531 1.00 0.00 C ATOM 50 C SER A 6 2.134 23.685 -4.522 1.00 0.00 C ATOM 51 O SER A 6 3.164 24.056 -3.962 1.00 0.00 O ATOM 52 CB SER A 6 1.564 23.998 -6.938 1.00 0.00 C ATOM 53 OG SER A 6 0.445 24.329 -7.742 1.00 0.00 O ATOM 0 H SER A 6 2.868 26.017 -5.029 1.00 0.00 H new ATOM 0 HA SER A 6 0.366 24.628 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.474 24.377 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.664 22.914 -6.877 1.00 0.00 H new ATOM 0 HG SER A 6 0.126 25.225 -7.505 1.00 0.00 H new ATOM 59 N GLY A 7 1.575 22.500 -4.296 1.00 0.00 N ATOM 60 CA GLY A 7 2.167 21.567 -3.355 1.00 0.00 C ATOM 61 C GLY A 7 1.183 20.514 -2.887 1.00 0.00 C ATOM 62 O GLY A 7 0.117 20.822 -2.353 1.00 0.00 O ATOM 0 H GLY A 7 0.722 22.169 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.023 21.079 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.545 22.116 -2.492 1.00 0.00 H new ATOM 66 N PRO A 8 1.539 19.236 -3.086 1.00 0.00 N ATOM 67 CA PRO A 8 0.693 18.107 -2.688 1.00 0.00 C ATOM 68 C PRO A 8 0.611 17.950 -1.173 1.00 0.00 C ATOM 69 O PRO A 8 1.569 17.521 -0.533 1.00 0.00 O ATOM 70 CB PRO A 8 1.396 16.900 -3.313 1.00 0.00 C ATOM 71 CG PRO A 8 2.820 17.316 -3.446 1.00 0.00 C ATOM 72 CD PRO A 8 2.795 18.794 -3.716 1.00 0.00 C ATOM 0 HA PRO A 8 -0.338 18.235 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.299 16.016 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.965 16.649 -4.282 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.378 17.095 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.309 16.779 -4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.660 19.296 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.805 19.007 -4.785 1.00 0.00 H new ATOM 80 N GLN A 9 -0.540 18.300 -0.609 1.00 0.00 N ATOM 81 CA GLN A 9 -0.746 18.197 0.832 1.00 0.00 C ATOM 82 C GLN A 9 -1.861 17.208 1.153 1.00 0.00 C ATOM 83 O GLN A 9 -2.395 17.199 2.263 1.00 0.00 O ATOM 84 CB GLN A 9 -1.082 19.569 1.419 1.00 0.00 C ATOM 85 CG GLN A 9 0.066 20.564 1.335 1.00 0.00 C ATOM 86 CD GLN A 9 -0.222 21.849 2.086 1.00 0.00 C ATOM 87 OE1 GLN A 9 -0.870 21.840 3.132 1.00 0.00 O ATOM 88 NE2 GLN A 9 0.262 22.966 1.554 1.00 0.00 N ATOM 0 H GLN A 9 -1.343 18.657 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 9 0.178 17.833 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.946 19.978 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.371 19.448 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.969 20.106 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.266 20.796 0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.794 22.928 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.101 23.862 2.015 1.00 0.00 H new ATOM 97 N ILE A 10 -2.206 16.376 0.176 1.00 0.00 N ATOM 98 CA ILE A 10 -3.256 15.381 0.356 1.00 0.00 C ATOM 99 C ILE A 10 -2.709 14.115 1.006 1.00 0.00 C ATOM 100 O ILE A 10 -1.502 13.980 1.206 1.00 0.00 O ATOM 101 CB ILE A 10 -3.917 15.012 -0.985 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.877 14.438 -1.950 1.00 0.00 C ATOM 103 CG2 ILE A 10 -4.598 16.228 -1.594 1.00 0.00 C ATOM 104 CD1 ILE A 10 -3.476 13.593 -3.052 1.00 0.00 C ATOM 0 H ILE A 10 -1.774 16.371 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.005 15.827 1.010 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.675 14.251 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.316 15.259 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.165 13.835 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.060 15.950 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.364 16.596 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.859 17.010 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.681 13.220 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.013 12.752 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.166 14.198 -3.640 1.00 0.00 H new ATOM 116 N ASP A 11 -3.605 13.191 1.334 1.00 0.00 N ATOM 117 CA ASP A 11 -3.213 11.933 1.960 1.00 0.00 C ATOM 118 C ASP A 11 -2.497 11.030 0.961 1.00 0.00 C ATOM 119 O ASP A 11 -2.840 10.998 -0.220 1.00 0.00 O ATOM 120 CB ASP A 11 -4.439 11.216 2.527 1.00 0.00 C ATOM 121 CG ASP A 11 -4.828 11.732 3.898 1.00 0.00 C ATOM 122 OD1 ASP A 11 -3.944 12.254 4.609 1.00 0.00 O ATOM 123 OD2 ASP A 11 -6.017 11.612 4.262 1.00 0.00 O ATOM 0 H ASP A 11 -4.608 13.289 1.177 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.526 12.160 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.278 11.341 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.235 10.147 2.589 1.00 0.00 H new ATOM 128 N SER A 12 -1.497 10.298 1.444 1.00 0.00 N ATOM 129 CA SER A 12 -0.729 9.397 0.592 1.00 0.00 C ATOM 130 C SER A 12 -1.385 8.021 0.525 1.00 0.00 C ATOM 131 O SER A 12 -1.700 7.524 -0.556 1.00 0.00 O ATOM 132 CB SER A 12 0.704 9.266 1.115 1.00 0.00 C ATOM 133 OG SER A 12 0.717 8.832 2.463 1.00 0.00 O ATOM 0 H SER A 12 -1.200 10.311 2.420 1.00 0.00 H new ATOM 0 HA SER A 12 -0.706 9.818 -0.413 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.257 8.559 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.213 10.226 1.034 1.00 0.00 H new ATOM 0 HG SER A 12 1.644 8.755 2.773 1.00 0.00 H new ATOM 139 N SER A 13 -1.589 7.412 1.688 1.00 0.00 N ATOM 140 CA SER A 13 -2.203 6.092 1.762 1.00 0.00 C ATOM 141 C SER A 13 -3.090 5.974 2.998 1.00 0.00 C ATOM 142 O SER A 13 -2.996 6.783 3.921 1.00 0.00 O ATOM 143 CB SER A 13 -1.127 5.005 1.788 1.00 0.00 C ATOM 144 OG SER A 13 -0.286 5.094 0.651 1.00 0.00 O ATOM 0 H SER A 13 -1.338 7.812 2.592 1.00 0.00 H new ATOM 0 HA SER A 13 -2.823 5.958 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.530 5.101 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.598 4.023 1.820 1.00 0.00 H new ATOM 0 HG SER A 13 0.394 4.390 0.691 1.00 0.00 H new ATOM 150 N ARG A 14 -3.950 4.962 3.007 1.00 0.00 N ATOM 151 CA ARG A 14 -4.855 4.737 4.128 1.00 0.00 C ATOM 152 C ARG A 14 -4.244 3.767 5.135 1.00 0.00 C ATOM 153 O ARG A 14 -4.229 2.556 4.914 1.00 0.00 O ATOM 154 CB ARG A 14 -6.196 4.194 3.629 1.00 0.00 C ATOM 155 CG ARG A 14 -6.949 5.164 2.732 1.00 0.00 C ATOM 156 CD ARG A 14 -6.427 5.123 1.305 1.00 0.00 C ATOM 157 NE ARG A 14 -6.601 3.808 0.696 1.00 0.00 N ATOM 158 CZ ARG A 14 -6.676 3.609 -0.616 1.00 0.00 C ATOM 159 NH1 ARG A 14 -6.593 4.635 -1.451 1.00 0.00 N ATOM 160 NH2 ARG A 14 -6.833 2.381 -1.094 1.00 0.00 N ATOM 0 H ARG A 14 -4.040 4.284 2.250 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.021 5.693 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.023 3.267 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.820 3.946 4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.011 4.918 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.853 6.175 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.948 5.871 0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.370 5.389 1.298 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.669 2.997 1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.471 5.580 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.651 4.479 -2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.896 1.589 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.890 2.229 -2.101 1.00 0.00 H new ATOM 174 N ILE A 15 -3.741 4.308 6.240 1.00 0.00 N ATOM 175 CA ILE A 15 -3.131 3.489 7.279 1.00 0.00 C ATOM 176 C ILE A 15 -4.158 2.569 7.930 1.00 0.00 C ATOM 177 O ILE A 15 -5.224 3.013 8.355 1.00 0.00 O ATOM 178 CB ILE A 15 -2.476 4.360 8.368 1.00 0.00 C ATOM 179 CG1 ILE A 15 -1.360 5.215 7.766 1.00 0.00 C ATOM 180 CG2 ILE A 15 -1.934 3.486 9.490 1.00 0.00 C ATOM 181 CD1 ILE A 15 -1.148 6.528 8.486 1.00 0.00 C ATOM 0 H ILE A 15 -3.744 5.309 6.438 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.363 2.886 6.795 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.233 5.025 8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.430 4.647 7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.592 5.417 6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.474 4.116 10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.750 2.916 9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.189 2.799 9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.342 7.081 8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.065 7.116 8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.884 6.334 9.526 1.00 0.00 H new ATOM 193 N ARG A 16 -3.828 1.283 8.006 1.00 0.00 N ATOM 194 CA ARG A 16 -4.722 0.299 8.605 1.00 0.00 C ATOM 195 C ARG A 16 -4.615 0.324 10.127 1.00 0.00 C ATOM 196 O ARG A 16 -3.585 -0.043 10.693 1.00 0.00 O ATOM 197 CB ARG A 16 -4.398 -1.101 8.083 1.00 0.00 C ATOM 198 CG ARG A 16 -4.385 -1.197 6.566 1.00 0.00 C ATOM 199 CD ARG A 16 -2.989 -0.982 6.005 1.00 0.00 C ATOM 200 NE ARG A 16 -2.760 0.409 5.623 1.00 0.00 N ATOM 201 CZ ARG A 16 -1.601 0.863 5.160 1.00 0.00 C ATOM 202 NH1 ARG A 16 -0.571 0.042 5.022 1.00 0.00 N ATOM 203 NH2 ARG A 16 -1.471 2.143 4.834 1.00 0.00 N ATOM 0 H ARG A 16 -2.949 0.899 7.660 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.744 0.555 8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.424 -1.406 8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.131 -1.805 8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.754 -2.176 6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.064 -0.454 6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.250 -1.280 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.844 -1.625 5.137 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.533 1.068 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.666 -0.942 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.318 0.394 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.262 2.779 4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.580 2.491 4.478 1.00 0.00 H new ATOM 217 N SER A 17 -5.686 0.759 10.784 1.00 0.00 N ATOM 218 CA SER A 17 -5.710 0.836 12.240 1.00 0.00 C ATOM 219 C SER A 17 -6.393 -0.391 12.836 1.00 0.00 C ATOM 220 O SER A 17 -5.745 -1.239 13.451 1.00 0.00 O ATOM 221 CB SER A 17 -6.433 2.106 12.693 1.00 0.00 C ATOM 222 OG SER A 17 -5.520 3.175 12.877 1.00 0.00 O ATOM 0 H SER A 17 -6.548 1.063 10.331 1.00 0.00 H new ATOM 0 HA SER A 17 -4.680 0.867 12.595 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.181 2.386 11.952 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.964 1.913 13.625 1.00 0.00 H new ATOM 0 HG SER A 17 -6.007 3.975 13.165 1.00 0.00 H new ATOM 228 N HIS A 18 -7.707 -0.478 12.651 1.00 0.00 N ATOM 229 CA HIS A 18 -8.479 -1.602 13.170 1.00 0.00 C ATOM 230 C HIS A 18 -7.872 -2.929 12.727 1.00 0.00 C ATOM 231 O HIS A 18 -7.902 -3.272 11.544 1.00 0.00 O ATOM 232 CB HIS A 18 -9.931 -1.508 12.702 1.00 0.00 C ATOM 233 CG HIS A 18 -10.758 -0.547 13.499 1.00 0.00 C ATOM 234 ND1 HIS A 18 -10.537 0.748 13.827 1.00 0.00 N flip ATOM 235 CD2 HIS A 18 -11.970 -0.883 14.061 1.00 0.00 C flip ATOM 236 CE1 HIS A 18 -11.611 1.167 14.574 1.00 0.00 C flip ATOM 237 NE2 HIS A 18 -12.462 0.164 14.700 1.00 0.00 N flip ATOM 0 H HIS A 18 -8.259 0.216 12.146 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.453 -1.558 14.259 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.947 -1.206 11.655 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.386 -2.497 12.756 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.725 1.308 13.568 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.444 -1.851 13.990 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.739 2.155 14.990 1.00 0.00 H new ATOM 245 N ILE A 19 -7.323 -3.672 13.681 1.00 0.00 N ATOM 246 CA ILE A 19 -6.710 -4.962 13.388 1.00 0.00 C ATOM 247 C ILE A 19 -7.690 -6.104 13.633 1.00 0.00 C ATOM 248 O ILE A 19 -8.349 -6.159 14.672 1.00 0.00 O ATOM 249 CB ILE A 19 -5.448 -5.192 14.239 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.704 -3.872 14.454 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.539 -6.215 13.573 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.145 -3.124 15.693 1.00 0.00 C ATOM 0 H ILE A 19 -7.290 -3.403 14.664 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.430 -4.946 12.335 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.750 -5.581 15.212 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.635 -4.074 14.523 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.853 -3.234 13.582 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.651 -6.367 14.187 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.072 -7.160 13.466 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.242 -5.852 12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.575 -2.199 15.781 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.207 -2.891 15.618 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.971 -3.743 16.573 1.00 0.00 H new ATOM 264 N CYS A 20 -7.779 -7.016 12.671 1.00 0.00 N ATOM 265 CA CYS A 20 -8.677 -8.159 12.782 1.00 0.00 C ATOM 266 C CYS A 20 -8.354 -8.986 14.023 1.00 0.00 C ATOM 267 O CYS A 20 -7.269 -9.558 14.136 1.00 0.00 O ATOM 268 CB CYS A 20 -8.577 -9.035 11.531 1.00 0.00 C ATOM 269 SG CYS A 20 -9.727 -10.448 11.520 1.00 0.00 S ATOM 0 H CYS A 20 -7.240 -6.986 11.806 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.696 -7.782 12.874 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.767 -8.418 10.652 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.557 -9.409 11.443 1.00 0.00 H new ATOM 274 N SER A 21 -9.303 -9.046 14.951 1.00 0.00 N ATOM 275 CA SER A 21 -9.119 -9.800 16.185 1.00 0.00 C ATOM 276 C SER A 21 -8.418 -11.128 15.912 1.00 0.00 C ATOM 277 O SER A 21 -7.454 -11.484 16.588 1.00 0.00 O ATOM 278 CB SER A 21 -10.469 -10.053 16.860 1.00 0.00 C ATOM 279 OG SER A 21 -11.039 -8.843 17.329 1.00 0.00 O ATOM 0 H SER A 21 -10.208 -8.581 14.872 1.00 0.00 H new ATOM 0 HA SER A 21 -8.492 -9.208 16.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.149 -10.529 16.154 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.339 -10.744 17.693 1.00 0.00 H new ATOM 0 HG SER A 21 -11.902 -9.031 17.755 1.00 0.00 H new ATOM 285 N HIS A 22 -8.910 -11.855 14.914 1.00 0.00 N ATOM 286 CA HIS A 22 -8.331 -13.143 14.550 1.00 0.00 C ATOM 287 C HIS A 22 -6.869 -12.987 14.146 1.00 0.00 C ATOM 288 O HIS A 22 -6.533 -12.275 13.200 1.00 0.00 O ATOM 289 CB HIS A 22 -9.124 -13.776 13.405 1.00 0.00 C ATOM 290 CG HIS A 22 -9.003 -15.267 13.346 1.00 0.00 C ATOM 291 ND1 HIS A 22 -9.608 -16.108 14.257 1.00 0.00 N ATOM 292 CD2 HIS A 22 -8.344 -16.069 12.478 1.00 0.00 C ATOM 293 CE1 HIS A 22 -9.325 -17.361 13.953 1.00 0.00 C ATOM 294 NE2 HIS A 22 -8.560 -17.366 12.877 1.00 0.00 N ATOM 0 H HIS A 22 -9.708 -11.574 14.343 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.381 -13.796 15.422 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.175 -13.509 13.511 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.782 -13.354 12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.757 -15.749 11.629 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.662 -18.234 14.493 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.190 -18.197 12.417 1.00 0.00 H new ATOM 302 N PRO A 23 -5.976 -13.667 14.880 1.00 0.00 N ATOM 303 CA PRO A 23 -4.534 -13.619 14.618 1.00 0.00 C ATOM 304 C PRO A 23 -4.157 -14.329 13.323 1.00 0.00 C ATOM 305 O PRO A 23 -3.461 -13.770 12.476 1.00 0.00 O ATOM 306 CB PRO A 23 -3.930 -14.346 15.822 1.00 0.00 C ATOM 307 CG PRO A 23 -5.012 -15.253 16.299 1.00 0.00 C ATOM 308 CD PRO A 23 -6.304 -14.535 16.023 1.00 0.00 C ATOM 0 HA PRO A 23 -4.176 -12.597 14.497 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.039 -14.907 15.540 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.631 -13.643 16.600 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.978 -16.210 15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.903 -15.466 17.362 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -7.107 -15.232 15.781 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.634 -13.956 16.885 1.00 0.00 H new ATOM 316 N GLY A 24 -4.621 -15.567 13.175 1.00 0.00 N ATOM 317 CA GLY A 24 -4.323 -16.333 11.979 1.00 0.00 C ATOM 318 C GLY A 24 -4.583 -15.550 10.708 1.00 0.00 C ATOM 319 O GLY A 24 -3.884 -15.721 9.709 1.00 0.00 O ATOM 0 H GLY A 24 -5.198 -16.052 13.862 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.279 -16.645 12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.927 -17.240 11.973 1.00 0.00 H new ATOM 323 N CYS A 25 -5.595 -14.689 10.742 1.00 0.00 N ATOM 324 CA CYS A 25 -5.949 -13.877 9.584 1.00 0.00 C ATOM 325 C CYS A 25 -4.880 -12.824 9.311 1.00 0.00 C ATOM 326 O CYS A 25 -4.380 -12.706 8.193 1.00 0.00 O ATOM 327 CB CYS A 25 -7.304 -13.201 9.804 1.00 0.00 C ATOM 328 SG CYS A 25 -7.633 -11.810 8.674 1.00 0.00 S ATOM 0 H CYS A 25 -6.185 -14.536 11.560 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.015 -14.534 8.717 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.092 -13.945 9.687 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.356 -12.841 10.831 1.00 0.00 H new ATOM 333 N GLY A 26 -4.535 -12.057 10.342 1.00 0.00 N ATOM 334 CA GLY A 26 -3.529 -11.023 10.193 1.00 0.00 C ATOM 335 C GLY A 26 -3.941 -9.951 9.204 1.00 0.00 C ATOM 336 O GLY A 26 -3.233 -9.688 8.231 1.00 0.00 O ATOM 0 H GLY A 26 -4.935 -12.134 11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.338 -10.564 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.593 -11.475 9.865 1.00 0.00 H new ATOM 340 N LYS A 27 -5.090 -9.331 9.449 1.00 0.00 N ATOM 341 CA LYS A 27 -5.596 -8.282 8.572 1.00 0.00 C ATOM 342 C LYS A 27 -5.814 -6.985 9.344 1.00 0.00 C ATOM 343 O LYS A 27 -5.997 -6.998 10.562 1.00 0.00 O ATOM 344 CB LYS A 27 -6.908 -8.724 7.918 1.00 0.00 C ATOM 345 CG LYS A 27 -6.715 -9.688 6.760 1.00 0.00 C ATOM 346 CD LYS A 27 -6.172 -8.980 5.530 1.00 0.00 C ATOM 347 CE LYS A 27 -7.283 -8.315 4.734 1.00 0.00 C ATOM 348 NZ LYS A 27 -6.914 -8.148 3.300 1.00 0.00 N ATOM 0 H LYS A 27 -5.689 -9.537 10.248 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.852 -8.102 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.539 -9.196 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.442 -7.843 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.029 -10.482 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.666 -10.162 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.441 -8.230 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.649 -9.697 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.191 -8.913 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.507 -7.340 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.697 -7.691 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.062 -7.556 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.725 -9.080 2.879 1.00 0.00 H new ATOM 362 N THR A 28 -5.791 -5.864 8.629 1.00 0.00 N ATOM 363 CA THR A 28 -5.986 -4.559 9.246 1.00 0.00 C ATOM 364 C THR A 28 -6.618 -3.576 8.269 1.00 0.00 C ATOM 365 O THR A 28 -6.372 -3.639 7.063 1.00 0.00 O ATOM 366 CB THR A 28 -4.655 -3.975 9.756 1.00 0.00 C ATOM 367 OG1 THR A 28 -3.810 -5.027 10.235 1.00 0.00 O ATOM 368 CG2 THR A 28 -4.898 -2.966 10.869 1.00 0.00 C ATOM 0 H THR A 28 -5.639 -5.835 7.621 1.00 0.00 H new ATOM 0 HA THR A 28 -6.658 -4.707 10.092 1.00 0.00 H new ATOM 0 HB THR A 28 -4.165 -3.466 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.965 -4.648 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.944 -2.567 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.517 -2.152 10.493 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.407 -3.456 11.699 1.00 0.00 H new ATOM 376 N TYR A 29 -7.432 -2.666 8.792 1.00 0.00 N ATOM 377 CA TYR A 29 -8.101 -1.671 7.965 1.00 0.00 C ATOM 378 C TYR A 29 -8.001 -0.284 8.592 1.00 0.00 C ATOM 379 O TYR A 29 -7.738 -0.149 9.787 1.00 0.00 O ATOM 380 CB TYR A 29 -9.570 -2.048 7.763 1.00 0.00 C ATOM 381 CG TYR A 29 -9.766 -3.299 6.937 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.832 -3.237 5.551 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.884 -4.543 7.544 1.00 0.00 C ATOM 384 CE1 TYR A 29 -10.013 -4.379 4.793 1.00 0.00 C ATOM 385 CE2 TYR A 29 -10.062 -5.689 6.794 1.00 0.00 C ATOM 386 CZ TYR A 29 -10.127 -5.602 5.419 1.00 0.00 C ATOM 387 OH TYR A 29 -10.304 -6.741 4.667 1.00 0.00 O ATOM 0 H TYR A 29 -7.644 -2.598 9.787 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.603 -1.648 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.037 -2.189 8.738 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.086 -1.219 7.279 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.740 -2.281 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.836 -4.615 8.621 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.065 -4.313 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.150 -6.649 7.282 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.872 -6.628 3.795 1.00 0.00 H new ATOM 397 N PHE A 30 -8.215 0.744 7.778 1.00 0.00 N ATOM 398 CA PHE A 30 -8.151 2.121 8.252 1.00 0.00 C ATOM 399 C PHE A 30 -9.518 2.595 8.735 1.00 0.00 C ATOM 400 O PHE A 30 -9.646 3.150 9.827 1.00 0.00 O ATOM 401 CB PHE A 30 -7.641 3.042 7.142 1.00 0.00 C ATOM 402 CG PHE A 30 -8.736 3.605 6.281 1.00 0.00 C ATOM 403 CD1 PHE A 30 -9.545 4.629 6.747 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.956 3.111 5.005 1.00 0.00 C ATOM 405 CE1 PHE A 30 -10.553 5.147 5.957 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.963 3.626 4.211 1.00 0.00 C ATOM 407 CZ PHE A 30 -10.761 4.647 4.687 1.00 0.00 C ATOM 0 H PHE A 30 -8.434 0.649 6.786 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.457 2.157 9.092 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.083 3.864 7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.943 2.489 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.386 5.026 7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.333 2.314 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.178 5.943 6.333 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.125 3.230 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.546 5.054 4.067 1.00 0.00 H new ATOM 417 N LYS A 31 -10.538 2.375 7.912 1.00 0.00 N ATOM 418 CA LYS A 31 -11.898 2.779 8.253 1.00 0.00 C ATOM 419 C LYS A 31 -12.460 1.905 9.370 1.00 0.00 C ATOM 420 O LYS A 31 -12.839 0.757 9.142 1.00 0.00 O ATOM 421 CB LYS A 31 -12.801 2.693 7.021 1.00 0.00 C ATOM 422 CG LYS A 31 -14.188 3.270 7.242 1.00 0.00 C ATOM 423 CD LYS A 31 -14.256 4.732 6.833 1.00 0.00 C ATOM 424 CE LYS A 31 -14.015 5.655 8.017 1.00 0.00 C ATOM 425 NZ LYS A 31 -13.772 7.059 7.586 1.00 0.00 N ATOM 0 H LYS A 31 -10.449 1.919 7.004 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.868 3.811 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.325 3.220 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.894 1.649 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.917 2.697 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.460 3.172 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.513 4.929 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.233 4.944 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.877 5.624 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.158 5.297 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.612 7.656 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.934 7.093 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.600 7.410 7.063 1.00 0.00 H new ATOM 439 N SER A 32 -12.513 2.459 10.577 1.00 0.00 N ATOM 440 CA SER A 32 -13.028 1.730 11.731 1.00 0.00 C ATOM 441 C SER A 32 -14.178 0.814 11.324 1.00 0.00 C ATOM 442 O SER A 32 -14.381 -0.247 11.916 1.00 0.00 O ATOM 443 CB SER A 32 -13.495 2.706 12.811 1.00 0.00 C ATOM 444 OG SER A 32 -14.258 2.042 13.804 1.00 0.00 O ATOM 0 H SER A 32 -12.206 3.410 10.782 1.00 0.00 H new ATOM 0 HA SER A 32 -12.222 1.116 12.132 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.631 3.184 13.272 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.093 3.497 12.357 1.00 0.00 H new ATOM 0 HG SER A 32 -13.896 1.142 13.947 1.00 0.00 H new ATOM 450 N SER A 33 -14.930 1.232 10.312 1.00 0.00 N ATOM 451 CA SER A 33 -16.063 0.452 9.828 1.00 0.00 C ATOM 452 C SER A 33 -15.590 -0.737 8.997 1.00 0.00 C ATOM 453 O SER A 33 -16.056 -1.863 9.181 1.00 0.00 O ATOM 454 CB SER A 33 -16.996 1.332 8.993 1.00 0.00 C ATOM 455 OG SER A 33 -18.323 0.837 9.020 1.00 0.00 O ATOM 0 H SER A 33 -14.775 2.107 9.811 1.00 0.00 H new ATOM 0 HA SER A 33 -16.608 0.075 10.693 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.977 2.353 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.640 1.371 7.964 1.00 0.00 H new ATOM 0 HG SER A 33 -18.900 1.417 8.481 1.00 0.00 H new ATOM 461 N HIS A 34 -14.660 -0.480 8.083 1.00 0.00 N ATOM 462 CA HIS A 34 -14.121 -1.528 7.224 1.00 0.00 C ATOM 463 C HIS A 34 -14.093 -2.868 7.954 1.00 0.00 C ATOM 464 O HIS A 34 -14.725 -3.834 7.523 1.00 0.00 O ATOM 465 CB HIS A 34 -12.713 -1.160 6.756 1.00 0.00 C ATOM 466 CG HIS A 34 -12.691 -0.375 5.480 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.552 -0.197 4.725 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.680 0.279 4.827 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.841 0.534 3.663 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.125 0.837 3.702 1.00 0.00 N ATOM 0 H HIS A 34 -14.264 0.445 7.918 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.772 -1.621 6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.219 -0.582 7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.134 -2.073 6.621 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.713 0.349 5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.145 0.833 2.893 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.624 1.395 3.009 1.00 0.00 H new ATOM 478 N LEU A 35 -13.358 -2.919 9.059 1.00 0.00 N ATOM 479 CA LEU A 35 -13.248 -4.140 9.848 1.00 0.00 C ATOM 480 C LEU A 35 -14.583 -4.874 9.907 1.00 0.00 C ATOM 481 O LEU A 35 -14.653 -6.080 9.674 1.00 0.00 O ATOM 482 CB LEU A 35 -12.768 -3.815 11.264 1.00 0.00 C ATOM 483 CG LEU A 35 -12.688 -4.993 12.234 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.684 -6.023 11.741 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.321 -4.513 13.630 1.00 0.00 C ATOM 0 H LEU A 35 -12.829 -2.129 9.429 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.519 -4.790 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.780 -3.360 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.436 -3.065 11.689 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.669 -5.466 12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.641 -6.854 12.444 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.991 -6.391 10.762 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.699 -5.563 11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.269 -5.366 14.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.352 -4.014 13.600 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.078 -3.814 13.985 1.00 0.00 H new ATOM 497 N LYS A 36 -15.644 -4.136 10.219 1.00 0.00 N ATOM 498 CA LYS A 36 -16.979 -4.714 10.306 1.00 0.00 C ATOM 499 C LYS A 36 -17.332 -5.463 9.025 1.00 0.00 C ATOM 500 O LYS A 36 -17.850 -6.578 9.069 1.00 0.00 O ATOM 501 CB LYS A 36 -18.015 -3.619 10.570 1.00 0.00 C ATOM 502 CG LYS A 36 -17.714 -2.781 11.801 1.00 0.00 C ATOM 503 CD LYS A 36 -18.310 -3.397 13.055 1.00 0.00 C ATOM 504 CE LYS A 36 -17.809 -2.701 14.311 1.00 0.00 C ATOM 505 NZ LYS A 36 -18.536 -1.427 14.567 1.00 0.00 N ATOM 0 H LYS A 36 -15.604 -3.136 10.416 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.988 -5.422 11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.070 -2.965 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.996 -4.079 10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.635 -2.683 11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.112 -1.776 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.397 -3.333 13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.055 -4.456 13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.929 -3.366 15.167 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.743 -2.497 14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.165 -0.983 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.401 -0.783 13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.550 -1.624 14.687 1.00 0.00 H new ATOM 519 N ALA A 37 -17.049 -4.842 7.884 1.00 0.00 N ATOM 520 CA ALA A 37 -17.332 -5.452 6.592 1.00 0.00 C ATOM 521 C ALA A 37 -16.434 -6.659 6.344 1.00 0.00 C ATOM 522 O ALA A 37 -16.866 -7.660 5.771 1.00 0.00 O ATOM 523 CB ALA A 37 -17.165 -4.430 5.477 1.00 0.00 C ATOM 0 H ALA A 37 -16.624 -3.916 7.829 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.366 -5.798 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.380 -4.900 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.854 -3.601 5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.141 -4.056 5.477 1.00 0.00 H new ATOM 529 N HIS A 38 -15.182 -6.559 6.780 1.00 0.00 N ATOM 530 CA HIS A 38 -14.223 -7.644 6.606 1.00 0.00 C ATOM 531 C HIS A 38 -14.640 -8.873 7.408 1.00 0.00 C ATOM 532 O HIS A 38 -14.962 -9.917 6.841 1.00 0.00 O ATOM 533 CB HIS A 38 -12.826 -7.191 7.035 1.00 0.00 C ATOM 534 CG HIS A 38 -11.880 -8.325 7.287 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.104 -8.891 6.298 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.587 -8.995 8.425 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.376 -9.864 6.817 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.649 -9.947 8.106 1.00 0.00 N ATOM 0 H HIS A 38 -14.808 -5.738 7.256 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.203 -7.912 5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.409 -6.546 6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.910 -6.590 7.941 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.093 -8.604 5.319 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.011 -8.815 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.676 -10.486 6.278 1.00 0.00 H new ATOM 546 N THR A 39 -14.632 -8.741 8.731 1.00 0.00 N ATOM 547 CA THR A 39 -15.008 -9.840 9.611 1.00 0.00 C ATOM 548 C THR A 39 -16.102 -10.696 8.985 1.00 0.00 C ATOM 549 O THR A 39 -16.160 -11.906 9.205 1.00 0.00 O ATOM 550 CB THR A 39 -15.495 -9.324 10.978 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.459 -8.565 11.612 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.906 -10.481 11.878 1.00 0.00 C ATOM 0 H THR A 39 -14.369 -7.883 9.216 1.00 0.00 H new ATOM 0 HA THR A 39 -14.115 -10.447 9.757 1.00 0.00 H new ATOM 0 HB THR A 39 -16.363 -8.686 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.389 -7.686 11.185 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.246 -10.092 12.838 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.714 -11.040 11.406 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.052 -11.140 12.036 1.00 0.00 H new ATOM 560 N ARG A 40 -16.969 -10.061 8.203 1.00 0.00 N ATOM 561 CA ARG A 40 -18.063 -10.765 7.544 1.00 0.00 C ATOM 562 C ARG A 40 -17.560 -12.036 6.865 1.00 0.00 C ATOM 563 O ARG A 40 -18.122 -13.116 7.048 1.00 0.00 O ATOM 564 CB ARG A 40 -18.738 -9.857 6.516 1.00 0.00 C ATOM 565 CG ARG A 40 -19.363 -8.611 7.122 1.00 0.00 C ATOM 566 CD ARG A 40 -20.557 -8.136 6.309 1.00 0.00 C ATOM 567 NE ARG A 40 -21.323 -7.108 7.010 1.00 0.00 N ATOM 568 CZ ARG A 40 -22.614 -6.877 6.794 1.00 0.00 C ATOM 569 NH1 ARG A 40 -23.279 -7.598 5.901 1.00 0.00 N ATOM 570 NH2 ARG A 40 -23.241 -5.925 7.472 1.00 0.00 N ATOM 0 H ARG A 40 -16.935 -9.060 8.010 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.792 -11.044 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.002 -9.558 5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.510 -10.423 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.678 -8.821 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.618 -7.817 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.211 -7.742 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.206 -8.984 6.088 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.840 -6.536 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.800 -8.331 5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -24.270 -7.419 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.732 -5.369 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -24.232 -5.748 7.306 1.00 0.00 H new ATOM 584 N THR A 41 -16.498 -11.899 6.077 1.00 0.00 N ATOM 585 CA THR A 41 -15.921 -13.033 5.367 1.00 0.00 C ATOM 586 C THR A 41 -15.666 -14.201 6.314 1.00 0.00 C ATOM 587 O THR A 41 -15.703 -15.363 5.907 1.00 0.00 O ATOM 588 CB THR A 41 -14.600 -12.650 4.675 1.00 0.00 C ATOM 589 OG1 THR A 41 -14.201 -13.687 3.772 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.500 -12.413 5.701 1.00 0.00 C ATOM 0 H THR A 41 -16.020 -11.013 5.915 1.00 0.00 H new ATOM 0 HA THR A 41 -16.645 -13.333 4.609 1.00 0.00 H new ATOM 0 HB THR A 41 -14.762 -11.727 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.361 -13.435 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.576 -12.144 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.794 -11.603 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.341 -13.322 6.281 1.00 0.00 H new ATOM 598 N HIS A 42 -15.407 -13.886 7.579 1.00 0.00 N ATOM 599 CA HIS A 42 -15.147 -14.910 8.584 1.00 0.00 C ATOM 600 C HIS A 42 -16.452 -15.520 9.090 1.00 0.00 C ATOM 601 O HIS A 42 -17.162 -14.915 9.893 1.00 0.00 O ATOM 602 CB HIS A 42 -14.360 -14.318 9.755 1.00 0.00 C ATOM 603 CG HIS A 42 -12.963 -13.916 9.395 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.107 -14.727 8.681 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.275 -12.780 9.654 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.952 -14.108 8.517 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.027 -12.924 9.098 1.00 0.00 N ATOM 0 H HIS A 42 -15.372 -12.930 7.932 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.555 -15.698 8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.893 -13.447 10.137 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.322 -15.049 10.563 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.331 -15.660 8.334 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.639 -11.920 10.197 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.092 -14.503 7.996 1.00 0.00 H new ATOM 615 N THR A 43 -16.761 -16.721 8.611 1.00 0.00 N ATOM 616 CA THR A 43 -17.981 -17.411 9.012 1.00 0.00 C ATOM 617 C THR A 43 -17.839 -18.919 8.847 1.00 0.00 C ATOM 618 O THR A 43 -17.926 -19.443 7.737 1.00 0.00 O ATOM 619 CB THR A 43 -19.195 -16.928 8.195 1.00 0.00 C ATOM 620 OG1 THR A 43 -18.874 -16.921 6.800 1.00 0.00 O ATOM 621 CG2 THR A 43 -19.620 -15.534 8.630 1.00 0.00 C ATOM 0 H THR A 43 -16.184 -17.236 7.946 1.00 0.00 H new ATOM 0 HA THR A 43 -18.145 -17.177 10.064 1.00 0.00 H new ATOM 0 HB THR A 43 -20.022 -17.615 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 43 -18.457 -17.774 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 43 -20.478 -15.214 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 -19.891 -15.549 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.795 -14.838 8.477 1.00 0.00 H new ATOM 629 N GLY A 44 -17.619 -19.614 9.959 1.00 0.00 N ATOM 630 CA GLY A 44 -17.468 -21.057 9.915 1.00 0.00 C ATOM 631 C GLY A 44 -16.021 -21.493 10.037 1.00 0.00 C ATOM 632 O GLY A 44 -15.126 -20.661 10.185 1.00 0.00 O ATOM 0 H GLY A 44 -17.543 -19.203 10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.048 -21.505 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.880 -21.434 8.979 1.00 0.00 H new ATOM 636 N GLU A 45 -15.792 -22.801 9.978 1.00 0.00 N ATOM 637 CA GLU A 45 -14.443 -23.345 10.086 1.00 0.00 C ATOM 638 C GLU A 45 -14.098 -24.191 8.863 1.00 0.00 C ATOM 639 O GLU A 45 -14.983 -24.628 8.127 1.00 0.00 O ATOM 640 CB GLU A 45 -14.308 -24.186 11.356 1.00 0.00 C ATOM 641 CG GLU A 45 -14.479 -23.386 12.637 1.00 0.00 C ATOM 642 CD GLU A 45 -14.458 -24.258 13.877 1.00 0.00 C ATOM 643 OE1 GLU A 45 -13.675 -25.229 13.905 1.00 0.00 O ATOM 644 OE2 GLU A 45 -15.227 -23.969 14.818 1.00 0.00 O ATOM 0 H GLU A 45 -16.522 -23.503 9.856 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.745 -22.509 10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.050 -24.984 11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.328 -24.663 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.684 -22.644 12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.422 -22.840 12.597 1.00 0.00 H new ATOM 651 N LYS A 46 -12.806 -24.418 8.653 1.00 0.00 N ATOM 652 CA LYS A 46 -12.342 -25.212 7.522 1.00 0.00 C ATOM 653 C LYS A 46 -11.206 -26.140 7.938 1.00 0.00 C ATOM 654 O LYS A 46 -10.056 -25.727 8.084 1.00 0.00 O ATOM 655 CB LYS A 46 -11.878 -24.298 6.386 1.00 0.00 C ATOM 656 CG LYS A 46 -13.019 -23.651 5.621 1.00 0.00 C ATOM 657 CD LYS A 46 -12.544 -22.451 4.820 1.00 0.00 C ATOM 658 CE LYS A 46 -12.430 -21.209 5.691 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.612 -20.149 5.041 1.00 0.00 N ATOM 0 H LYS A 46 -12.061 -24.063 9.252 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.176 -25.821 7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.239 -23.517 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.268 -24.876 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.469 -24.382 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.796 -23.339 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.576 -22.672 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.238 -22.260 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.426 -20.821 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.983 -21.477 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.558 -19.320 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.653 -20.511 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.052 -19.875 4.139 1.00 0.00 H new ATOM 673 N PRO A 47 -11.533 -27.426 8.134 1.00 0.00 N ATOM 674 CA PRO A 47 -10.552 -28.441 8.534 1.00 0.00 C ATOM 675 C PRO A 47 -9.561 -28.759 7.420 1.00 0.00 C ATOM 676 O PRO A 47 -8.349 -28.765 7.637 1.00 0.00 O ATOM 677 CB PRO A 47 -11.415 -29.665 8.848 1.00 0.00 C ATOM 678 CG PRO A 47 -12.650 -29.476 8.037 1.00 0.00 C ATOM 679 CD PRO A 47 -12.884 -27.991 7.978 1.00 0.00 C ATOM 0 HA PRO A 47 -9.940 -28.108 9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.903 -30.589 8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.645 -29.725 9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.527 -29.892 7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -13.498 -29.987 8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.337 -27.693 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.553 -27.658 8.771 1.00 0.00 H new ATOM 687 N PHE A 48 -10.082 -29.023 6.227 1.00 0.00 N ATOM 688 CA PHE A 48 -9.243 -29.344 5.079 1.00 0.00 C ATOM 689 C PHE A 48 -8.403 -28.139 4.666 1.00 0.00 C ATOM 690 O PHE A 48 -8.928 -27.045 4.457 1.00 0.00 O ATOM 691 CB PHE A 48 -10.105 -29.806 3.902 1.00 0.00 C ATOM 692 CG PHE A 48 -10.648 -31.197 4.067 1.00 0.00 C ATOM 693 CD1 PHE A 48 -9.844 -32.301 3.832 1.00 0.00 C ATOM 694 CD2 PHE A 48 -11.962 -31.401 4.457 1.00 0.00 C ATOM 695 CE1 PHE A 48 -10.341 -33.582 3.982 1.00 0.00 C ATOM 696 CE2 PHE A 48 -12.464 -32.679 4.609 1.00 0.00 C ATOM 697 CZ PHE A 48 -11.652 -33.771 4.371 1.00 0.00 C ATOM 0 H PHE A 48 -11.083 -29.021 6.030 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.571 -30.153 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.936 -29.112 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.512 -29.762 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.817 -32.159 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.601 -30.551 4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.704 -34.434 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.490 -32.824 4.914 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.042 -34.771 4.489 1.00 0.00 H new ATOM 707 N SER A 49 -7.096 -28.347 4.551 1.00 0.00 N ATOM 708 CA SER A 49 -6.181 -27.278 4.168 1.00 0.00 C ATOM 709 C SER A 49 -5.188 -27.763 3.117 1.00 0.00 C ATOM 710 O SER A 49 -4.621 -28.850 3.235 1.00 0.00 O ATOM 711 CB SER A 49 -5.430 -26.757 5.394 1.00 0.00 C ATOM 712 OG SER A 49 -4.579 -27.755 5.933 1.00 0.00 O ATOM 0 H SER A 49 -6.646 -29.247 4.718 1.00 0.00 H new ATOM 0 HA SER A 49 -6.769 -26.466 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.841 -25.882 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.144 -26.435 6.152 1.00 0.00 H new ATOM 0 HG SER A 49 -4.109 -27.397 6.715 1.00 0.00 H new ATOM 718 N CYS A 50 -4.982 -26.950 2.086 1.00 0.00 N ATOM 719 CA CYS A 50 -4.058 -27.294 1.011 1.00 0.00 C ATOM 720 C CYS A 50 -2.622 -27.344 1.525 1.00 0.00 C ATOM 721 O CYS A 50 -2.312 -26.804 2.587 1.00 0.00 O ATOM 722 CB CYS A 50 -4.169 -26.281 -0.129 1.00 0.00 C ATOM 723 SG CYS A 50 -2.955 -26.528 -1.464 1.00 0.00 S ATOM 0 H CYS A 50 -5.443 -26.047 1.972 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.326 -28.282 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.173 -26.333 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.046 -25.277 0.278 1.00 0.00 H new ATOM 728 N SER A 51 -1.749 -27.995 0.763 1.00 0.00 N ATOM 729 CA SER A 51 -0.347 -28.119 1.142 1.00 0.00 C ATOM 730 C SER A 51 0.563 -27.610 0.028 1.00 0.00 C ATOM 731 O SER A 51 0.788 -28.299 -0.968 1.00 0.00 O ATOM 732 CB SER A 51 -0.010 -29.575 1.465 1.00 0.00 C ATOM 733 OG SER A 51 -0.537 -29.953 2.725 1.00 0.00 O ATOM 0 H SER A 51 -1.988 -28.445 -0.121 1.00 0.00 H new ATOM 0 HA SER A 51 -0.181 -27.510 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.413 -30.226 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.072 -29.710 1.464 1.00 0.00 H new ATOM 0 HG SER A 51 -0.309 -30.889 2.907 1.00 0.00 H new ATOM 739 N TRP A 52 1.084 -26.402 0.204 1.00 0.00 N ATOM 740 CA TRP A 52 1.970 -25.800 -0.787 1.00 0.00 C ATOM 741 C TRP A 52 2.753 -24.640 -0.182 1.00 0.00 C ATOM 742 O TRP A 52 2.559 -24.285 0.980 1.00 0.00 O ATOM 743 CB TRP A 52 1.166 -25.315 -1.994 1.00 0.00 C ATOM 744 CG TRP A 52 2.009 -25.059 -3.206 1.00 0.00 C ATOM 745 CD1 TRP A 52 2.431 -23.846 -3.670 1.00 0.00 C ATOM 746 CD2 TRP A 52 2.531 -26.040 -4.109 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.183 -24.013 -4.806 1.00 0.00 N ATOM 748 CE2 TRP A 52 3.260 -25.349 -5.097 1.00 0.00 C ATOM 749 CE3 TRP A 52 2.455 -27.433 -4.179 1.00 0.00 C ATOM 750 CZ2 TRP A 52 3.908 -26.006 -6.140 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.097 -28.084 -5.215 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.816 -27.372 -6.184 1.00 0.00 C ATOM 0 H TRP A 52 0.909 -25.819 1.023 1.00 0.00 H new ATOM 0 HA TRP A 52 2.678 -26.561 -1.115 1.00 0.00 H new ATOM 0 HB2 TRP A 52 0.407 -26.059 -2.239 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.640 -24.399 -1.726 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.206 -22.895 -3.211 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.615 -23.263 -5.346 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.904 -27.991 -3.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.463 -25.458 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.044 -29.161 -5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.307 -27.910 -6.981 1.00 0.00 H new ATOM 763 N LYS A 53 3.639 -24.050 -0.979 1.00 0.00 N ATOM 764 CA LYS A 53 4.451 -22.928 -0.524 1.00 0.00 C ATOM 765 C LYS A 53 3.795 -21.600 -0.888 1.00 0.00 C ATOM 766 O LYS A 53 3.612 -21.288 -2.063 1.00 0.00 O ATOM 767 CB LYS A 53 5.851 -23.003 -1.137 1.00 0.00 C ATOM 768 CG LYS A 53 6.896 -22.217 -0.365 1.00 0.00 C ATOM 769 CD LYS A 53 7.268 -22.912 0.935 1.00 0.00 C ATOM 770 CE LYS A 53 8.204 -22.057 1.776 1.00 0.00 C ATOM 771 NZ LYS A 53 7.483 -20.937 2.443 1.00 0.00 N ATOM 0 H LYS A 53 3.812 -24.331 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 53 4.533 -22.987 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.160 -24.047 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.811 -22.630 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.787 -22.093 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.516 -21.219 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.364 -23.131 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.745 -23.867 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.685 -22.680 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.995 -21.654 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.141 -20.419 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.102 -20.291 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.702 -21.318 3.014 1.00 0.00 H new ATOM 785 N GLY A 54 3.445 -20.819 0.131 1.00 0.00 N ATOM 786 CA GLY A 54 2.815 -19.533 -0.102 1.00 0.00 C ATOM 787 C GLY A 54 1.406 -19.667 -0.645 1.00 0.00 C ATOM 788 O GLY A 54 0.981 -18.881 -1.493 1.00 0.00 O ATOM 0 H GLY A 54 3.587 -21.055 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.789 -18.970 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.419 -18.958 -0.804 1.00 0.00 H new ATOM 792 N CYS A 55 0.679 -20.667 -0.158 1.00 0.00 N ATOM 793 CA CYS A 55 -0.690 -20.904 -0.600 1.00 0.00 C ATOM 794 C CYS A 55 -1.691 -20.302 0.382 1.00 0.00 C ATOM 795 O CYS A 55 -2.380 -19.333 0.064 1.00 0.00 O ATOM 796 CB CYS A 55 -0.947 -22.405 -0.750 1.00 0.00 C ATOM 797 SG CYS A 55 -2.695 -22.836 -1.024 1.00 0.00 S ATOM 0 H CYS A 55 1.015 -21.327 0.543 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.821 -20.420 -1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.356 -22.782 -1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.594 -22.915 0.147 1.00 0.00 H new ATOM 802 N GLU A 56 -1.763 -20.882 1.576 1.00 0.00 N ATOM 803 CA GLU A 56 -2.680 -20.403 2.604 1.00 0.00 C ATOM 804 C GLU A 56 -4.121 -20.433 2.105 1.00 0.00 C ATOM 805 O GLU A 56 -4.880 -19.486 2.308 1.00 0.00 O ATOM 806 CB GLU A 56 -2.306 -18.981 3.029 1.00 0.00 C ATOM 807 CG GLU A 56 -1.211 -18.929 4.080 1.00 0.00 C ATOM 808 CD GLU A 56 -1.401 -19.961 5.173 1.00 0.00 C ATOM 809 OE1 GLU A 56 -2.176 -19.695 6.114 1.00 0.00 O ATOM 810 OE2 GLU A 56 -0.773 -21.038 5.088 1.00 0.00 O ATOM 0 H GLU A 56 -1.198 -21.684 1.855 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.598 -21.066 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.982 -18.422 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.194 -18.481 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.245 -19.087 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.187 -17.934 4.525 1.00 0.00 H new ATOM 817 N ARG A 57 -4.490 -21.528 1.447 1.00 0.00 N ATOM 818 CA ARG A 57 -5.840 -21.681 0.916 1.00 0.00 C ATOM 819 C ARG A 57 -6.483 -22.967 1.430 1.00 0.00 C ATOM 820 O ARG A 57 -6.096 -24.066 1.035 1.00 0.00 O ATOM 821 CB ARG A 57 -5.811 -21.689 -0.613 1.00 0.00 C ATOM 822 CG ARG A 57 -5.137 -20.468 -1.216 1.00 0.00 C ATOM 823 CD ARG A 57 -6.067 -19.265 -1.226 1.00 0.00 C ATOM 824 NE ARG A 57 -5.471 -18.116 -1.903 1.00 0.00 N ATOM 825 CZ ARG A 57 -5.526 -17.928 -3.217 1.00 0.00 C ATOM 826 NH1 ARG A 57 -6.148 -18.806 -3.990 1.00 0.00 N ATOM 827 NH2 ARG A 57 -4.960 -16.858 -3.759 1.00 0.00 N ATOM 0 H ARG A 57 -3.874 -22.321 1.269 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.436 -20.835 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.292 -22.585 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.833 -21.751 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.238 -20.229 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.820 -20.692 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.000 -19.533 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.317 -18.992 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.986 -17.420 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.586 -19.629 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.189 -18.659 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.482 -16.179 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.003 -16.714 -4.768 1.00 0.00 H new ATOM 841 N ARG A 58 -7.465 -22.819 2.313 1.00 0.00 N ATOM 842 CA ARG A 58 -8.160 -23.967 2.882 1.00 0.00 C ATOM 843 C ARG A 58 -9.592 -24.048 2.361 1.00 0.00 C ATOM 844 O ARG A 58 -10.065 -23.145 1.671 1.00 0.00 O ATOM 845 CB ARG A 58 -8.165 -23.882 4.409 1.00 0.00 C ATOM 846 CG ARG A 58 -6.784 -23.693 5.014 1.00 0.00 C ATOM 847 CD ARG A 58 -6.801 -23.897 6.520 1.00 0.00 C ATOM 848 NE ARG A 58 -7.173 -22.678 7.234 1.00 0.00 N ATOM 849 CZ ARG A 58 -6.818 -22.424 8.489 1.00 0.00 C ATOM 850 NH1 ARG A 58 -6.088 -23.301 9.165 1.00 0.00 N ATOM 851 NH2 ARG A 58 -7.195 -21.293 9.070 1.00 0.00 N ATOM 0 H ARG A 58 -7.797 -21.915 2.650 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.629 -24.869 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.803 -23.053 4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.608 -24.792 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.087 -24.397 4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.420 -22.691 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.503 -24.692 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.816 -24.225 6.852 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.736 -21.984 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.798 -24.173 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.817 -23.104 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.758 -20.617 8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.922 -21.099 10.033 1.00 0.00 H new ATOM 865 N PHE A 59 -10.277 -25.137 2.697 1.00 0.00 N ATOM 866 CA PHE A 59 -11.655 -25.337 2.263 1.00 0.00 C ATOM 867 C PHE A 59 -12.404 -26.247 3.232 1.00 0.00 C ATOM 868 O PHE A 59 -11.803 -27.080 3.908 1.00 0.00 O ATOM 869 CB PHE A 59 -11.686 -25.936 0.855 1.00 0.00 C ATOM 870 CG PHE A 59 -10.728 -25.281 -0.097 1.00 0.00 C ATOM 871 CD1 PHE A 59 -11.105 -24.161 -0.820 1.00 0.00 C ATOM 872 CD2 PHE A 59 -9.448 -25.784 -0.269 1.00 0.00 C ATOM 873 CE1 PHE A 59 -10.225 -23.555 -1.697 1.00 0.00 C ATOM 874 CE2 PHE A 59 -8.564 -25.183 -1.144 1.00 0.00 C ATOM 875 CZ PHE A 59 -8.953 -24.067 -1.860 1.00 0.00 C ATOM 0 H PHE A 59 -9.900 -25.894 3.268 1.00 0.00 H new ATOM 0 HA PHE A 59 -12.150 -24.366 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -11.455 -26.999 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.697 -25.852 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.099 -23.756 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.138 -26.656 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.532 -22.682 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.569 -25.585 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.264 -23.596 -2.545 1.00 0.00 H new ATOM 885 N ALA A 60 -13.721 -26.080 3.293 1.00 0.00 N ATOM 886 CA ALA A 60 -14.553 -26.886 4.177 1.00 0.00 C ATOM 887 C ALA A 60 -14.686 -28.314 3.656 1.00 0.00 C ATOM 888 O ALA A 60 -14.545 -29.275 4.412 1.00 0.00 O ATOM 889 CB ALA A 60 -15.927 -26.250 4.335 1.00 0.00 C ATOM 0 H ALA A 60 -14.235 -25.393 2.740 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.069 -26.927 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.538 -26.863 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.819 -25.252 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.409 -26.179 3.360 1.00 0.00 H new ATOM 895 N ARG A 61 -14.957 -28.443 2.362 1.00 0.00 N ATOM 896 CA ARG A 61 -15.110 -29.754 1.741 1.00 0.00 C ATOM 897 C ARG A 61 -13.751 -30.349 1.384 1.00 0.00 C ATOM 898 O ARG A 61 -12.714 -29.712 1.576 1.00 0.00 O ATOM 899 CB ARG A 61 -15.978 -29.649 0.486 1.00 0.00 C ATOM 900 CG ARG A 61 -17.391 -29.160 0.761 1.00 0.00 C ATOM 901 CD ARG A 61 -18.289 -29.343 -0.451 1.00 0.00 C ATOM 902 NE ARG A 61 -19.631 -28.813 -0.223 1.00 0.00 N ATOM 903 CZ ARG A 61 -20.602 -29.500 0.369 1.00 0.00 C ATOM 904 NH1 ARG A 61 -20.381 -30.738 0.791 1.00 0.00 N ATOM 905 NH2 ARG A 61 -21.797 -28.949 0.541 1.00 0.00 N ATOM 0 H ARG A 61 -15.075 -27.657 1.723 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.599 -30.413 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.499 -28.971 -0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.028 -30.627 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.807 -29.704 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.365 -28.107 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.843 -28.843 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.355 -30.403 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.834 -27.863 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.464 -31.165 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.128 -31.263 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.971 -27.997 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.542 -29.477 0.996 1.00 0.00 H new ATOM 919 N SER A 62 -13.763 -31.572 0.866 1.00 0.00 N ATOM 920 CA SER A 62 -12.533 -32.254 0.486 1.00 0.00 C ATOM 921 C SER A 62 -12.252 -32.080 -1.004 1.00 0.00 C ATOM 922 O SER A 62 -11.169 -31.645 -1.396 1.00 0.00 O ATOM 923 CB SER A 62 -12.622 -33.742 0.830 1.00 0.00 C ATOM 924 OG SER A 62 -13.724 -34.350 0.178 1.00 0.00 O ATOM 0 H SER A 62 -14.612 -32.112 0.700 1.00 0.00 H new ATOM 0 HA SER A 62 -11.712 -31.808 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.700 -34.243 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.721 -33.864 1.909 1.00 0.00 H new ATOM 0 HG SER A 62 -13.759 -35.301 0.412 1.00 0.00 H new ATOM 930 N ASP A 63 -13.235 -32.423 -1.829 1.00 0.00 N ATOM 931 CA ASP A 63 -13.096 -32.305 -3.276 1.00 0.00 C ATOM 932 C ASP A 63 -12.550 -30.933 -3.658 1.00 0.00 C ATOM 933 O ASP A 63 -11.603 -30.826 -4.435 1.00 0.00 O ATOM 934 CB ASP A 63 -14.444 -32.541 -3.959 1.00 0.00 C ATOM 935 CG ASP A 63 -15.211 -33.695 -3.344 1.00 0.00 C ATOM 936 OD1 ASP A 63 -15.949 -33.461 -2.364 1.00 0.00 O ATOM 937 OD2 ASP A 63 -15.074 -34.831 -3.843 1.00 0.00 O ATOM 0 H ASP A 63 -14.137 -32.785 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 63 -12.390 -33.064 -3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.045 -31.634 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.281 -32.740 -5.018 1.00 0.00 H new ATOM 942 N GLU A 64 -13.158 -29.886 -3.109 1.00 0.00 N ATOM 943 CA GLU A 64 -12.734 -28.521 -3.395 1.00 0.00 C ATOM 944 C GLU A 64 -11.216 -28.391 -3.300 1.00 0.00 C ATOM 945 O GLU A 64 -10.570 -27.859 -4.204 1.00 0.00 O ATOM 946 CB GLU A 64 -13.401 -27.542 -2.426 1.00 0.00 C ATOM 947 CG GLU A 64 -14.864 -27.279 -2.739 1.00 0.00 C ATOM 948 CD GLU A 64 -15.050 -26.273 -3.860 1.00 0.00 C ATOM 949 OE1 GLU A 64 -14.775 -26.626 -5.026 1.00 0.00 O ATOM 950 OE2 GLU A 64 -15.470 -25.133 -3.570 1.00 0.00 O ATOM 0 H GLU A 64 -13.945 -29.957 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.040 -28.279 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.320 -27.935 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.858 -26.597 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.347 -28.217 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.364 -26.914 -1.842 1.00 0.00 H new ATOM 957 N LEU A 65 -10.654 -28.881 -2.201 1.00 0.00 N ATOM 958 CA LEU A 65 -9.212 -28.820 -1.987 1.00 0.00 C ATOM 959 C LEU A 65 -8.468 -29.592 -3.072 1.00 0.00 C ATOM 960 O LEU A 65 -7.642 -29.030 -3.791 1.00 0.00 O ATOM 961 CB LEU A 65 -8.858 -29.383 -0.609 1.00 0.00 C ATOM 962 CG LEU A 65 -7.384 -29.724 -0.383 1.00 0.00 C ATOM 963 CD1 LEU A 65 -6.541 -28.460 -0.357 1.00 0.00 C ATOM 964 CD2 LEU A 65 -7.211 -30.509 0.909 1.00 0.00 C ATOM 0 H LEU A 65 -11.174 -29.325 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.905 -27.775 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.163 -28.659 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.448 -30.284 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.044 -30.345 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.496 -28.723 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.640 -27.937 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.881 -27.812 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.156 -30.743 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.569 -29.912 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.784 -31.435 0.852 1.00 0.00 H new ATOM 976 N SER A 66 -8.767 -30.881 -3.185 1.00 0.00 N ATOM 977 CA SER A 66 -8.125 -31.731 -4.180 1.00 0.00 C ATOM 978 C SER A 66 -8.202 -31.097 -5.566 1.00 0.00 C ATOM 979 O SER A 66 -7.276 -31.218 -6.368 1.00 0.00 O ATOM 980 CB SER A 66 -8.782 -33.113 -4.203 1.00 0.00 C ATOM 981 OG SER A 66 -7.873 -34.102 -4.655 1.00 0.00 O ATOM 0 H SER A 66 -9.451 -31.360 -2.599 1.00 0.00 H new ATOM 0 HA SER A 66 -7.076 -31.840 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.135 -33.368 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.656 -33.093 -4.854 1.00 0.00 H new ATOM 0 HG SER A 66 -8.316 -34.976 -4.659 1.00 0.00 H new ATOM 987 N ARG A 67 -9.312 -30.421 -5.840 1.00 0.00 N ATOM 988 CA ARG A 67 -9.512 -29.768 -7.129 1.00 0.00 C ATOM 989 C ARG A 67 -8.629 -28.529 -7.252 1.00 0.00 C ATOM 990 O ARG A 67 -8.335 -28.072 -8.357 1.00 0.00 O ATOM 991 CB ARG A 67 -10.981 -29.380 -7.306 1.00 0.00 C ATOM 992 CG ARG A 67 -11.283 -28.735 -8.648 1.00 0.00 C ATOM 993 CD ARG A 67 -12.776 -28.511 -8.836 1.00 0.00 C ATOM 994 NE ARG A 67 -13.055 -27.547 -9.896 1.00 0.00 N ATOM 995 CZ ARG A 67 -14.153 -27.575 -10.645 1.00 0.00 C ATOM 996 NH1 ARG A 67 -15.067 -28.515 -10.451 1.00 0.00 N ATOM 997 NH2 ARG A 67 -14.335 -26.662 -11.591 1.00 0.00 N ATOM 0 H ARG A 67 -10.088 -30.311 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.233 -30.472 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.599 -30.271 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.265 -28.692 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.759 -27.782 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.905 -29.369 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -13.258 -29.460 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.210 -28.157 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.370 -26.812 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.929 -29.219 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.909 -28.535 -11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.632 -25.939 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.178 -26.684 -12.165 1.00 0.00 H new ATOM 1011 N HIS A 68 -8.211 -27.991 -6.111 1.00 0.00 N ATOM 1012 CA HIS A 68 -7.362 -26.804 -6.092 1.00 0.00 C ATOM 1013 C HIS A 68 -5.886 -27.193 -6.069 1.00 0.00 C ATOM 1014 O HIS A 68 -5.141 -26.895 -7.003 1.00 0.00 O ATOM 1015 CB HIS A 68 -7.691 -25.934 -4.879 1.00 0.00 C ATOM 1016 CG HIS A 68 -6.538 -25.104 -4.406 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -6.354 -23.790 -4.781 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -5.506 -25.407 -3.584 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -5.259 -23.321 -4.211 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -4.725 -24.282 -3.479 1.00 0.00 N ATOM 0 H HIS A 68 -8.446 -28.357 -5.188 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.556 -26.234 -7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.523 -25.276 -5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.026 -26.575 -4.063 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -6.968 -23.263 -5.402 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.330 -26.357 -3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.867 -22.321 -4.324 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.471 -27.859 -4.996 1.00 0.00 N ATOM 1029 CA ARG A 69 -4.085 -28.286 -4.850 1.00 0.00 C ATOM 1030 C ARG A 69 -3.544 -28.837 -6.167 1.00 0.00 C ATOM 1031 O ARG A 69 -2.356 -28.717 -6.460 1.00 0.00 O ATOM 1032 CB ARG A 69 -3.968 -29.347 -3.755 1.00 0.00 C ATOM 1033 CG ARG A 69 -2.601 -30.007 -3.690 1.00 0.00 C ATOM 1034 CD ARG A 69 -1.671 -29.270 -2.740 1.00 0.00 C ATOM 1035 NE ARG A 69 -0.532 -30.092 -2.341 1.00 0.00 N ATOM 1036 CZ ARG A 69 0.452 -30.437 -3.166 1.00 0.00 C ATOM 1037 NH1 ARG A 69 0.435 -30.032 -4.428 1.00 0.00 N ATOM 1038 NH2 ARG A 69 1.454 -31.188 -2.728 1.00 0.00 N ATOM 0 H ARG A 69 -6.075 -28.114 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.491 -27.416 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.186 -28.888 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.725 -30.114 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.710 -31.041 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.160 -30.032 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.311 -28.360 -3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.226 -28.965 -1.853 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.489 -30.420 -1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.334 -29.454 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.191 -30.298 -5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.470 -31.501 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.208 -31.452 -3.362 1.00 0.00 H new ATOM 1052 N ARG A 70 -4.427 -29.443 -6.956 1.00 0.00 N ATOM 1053 CA ARG A 70 -4.039 -30.014 -8.240 1.00 0.00 C ATOM 1054 C ARG A 70 -3.687 -28.916 -9.239 1.00 0.00 C ATOM 1055 O ARG A 70 -2.746 -29.051 -10.021 1.00 0.00 O ATOM 1056 CB ARG A 70 -5.167 -30.884 -8.796 1.00 0.00 C ATOM 1057 CG ARG A 70 -6.419 -30.100 -9.156 1.00 0.00 C ATOM 1058 CD ARG A 70 -7.379 -30.937 -9.989 1.00 0.00 C ATOM 1059 NE ARG A 70 -7.857 -32.109 -9.261 1.00 0.00 N ATOM 1060 CZ ARG A 70 -8.741 -32.970 -9.752 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -9.240 -32.790 -10.967 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -9.127 -34.011 -9.028 1.00 0.00 N ATOM 0 H ARG A 70 -5.415 -29.551 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.156 -30.634 -8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.808 -31.407 -9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.424 -31.645 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.918 -29.770 -8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.142 -29.203 -9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.229 -30.324 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.881 -31.257 -10.904 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.492 -32.276 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.945 -31.989 -11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.919 -33.452 -11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.745 -34.151 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.806 -34.672 -9.406 1.00 0.00 H new ATOM 1076 N THR A 71 -4.451 -27.828 -9.208 1.00 0.00 N ATOM 1077 CA THR A 71 -4.222 -26.708 -10.111 1.00 0.00 C ATOM 1078 C THR A 71 -2.805 -26.164 -9.965 1.00 0.00 C ATOM 1079 O THR A 71 -2.088 -25.999 -10.953 1.00 0.00 O ATOM 1080 CB THR A 71 -5.226 -25.566 -9.857 1.00 0.00 C ATOM 1081 OG1 THR A 71 -4.983 -24.977 -8.575 1.00 0.00 O ATOM 1082 CG2 THR A 71 -6.656 -26.080 -9.923 1.00 0.00 C ATOM 0 H THR A 71 -5.234 -27.699 -8.567 1.00 0.00 H new ATOM 0 HA THR A 71 -4.361 -27.086 -11.124 1.00 0.00 H new ATOM 0 HB THR A 71 -5.091 -24.813 -10.633 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.387 -25.534 -7.877 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.347 -25.257 -9.741 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.846 -26.502 -10.910 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.801 -26.850 -9.165 1.00 0.00 H new ATOM 1090 N HIS A 72 -2.407 -25.887 -8.727 1.00 0.00 N ATOM 1091 CA HIS A 72 -1.074 -25.363 -8.453 1.00 0.00 C ATOM 1092 C HIS A 72 -0.282 -26.327 -7.575 1.00 0.00 C ATOM 1093 O HIS A 72 0.854 -26.045 -7.194 1.00 0.00 O ATOM 1094 CB HIS A 72 -1.170 -23.997 -7.773 1.00 0.00 C ATOM 1095 CG HIS A 72 -1.136 -24.069 -6.277 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -0.189 -23.421 -5.514 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -1.942 -24.718 -5.404 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -0.412 -23.667 -4.235 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -1.471 -24.452 -4.141 1.00 0.00 N ATOM 0 H HIS A 72 -2.988 -26.017 -7.899 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.552 -25.251 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.347 -23.370 -8.117 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.094 -23.509 -8.084 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.567 -22.842 -5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.796 -25.330 -5.654 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.172 -23.291 -3.408 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.791 -11.308 9.341 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -2.868 -24.502 -2.610 1.00 0.00 ZN