USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 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 Set 1.1: A 42 SER OG : rot -120:sc= 0.193 USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.0875 X(o=0.1,f=-0.36) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.8) USER MOD Set 2.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0841 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 10 THR OG1 : rot 40:sc= 0.739 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 14 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.3) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.98) USER MOD Single : A 20 LYS NZ :NH3+ 145:sc= -1.42 (180deg=-2.43!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -119:sc=-0.00528 (180deg=-0.818) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.0028) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.328 K(o=0.33,f=-0.94) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -57:sc= 0.06 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 56 SER OG : rot 43:sc= 0.844 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.696 17.738 -24.843 1.00 0.00 N ATOM 2 CA GLY A 1 33.547 17.126 -25.483 1.00 0.00 C ATOM 3 C GLY A 1 32.280 17.272 -24.665 1.00 0.00 C ATOM 4 O GLY A 1 32.317 17.751 -23.531 1.00 0.00 O ATOM 0 H1 GLY A 1 34.927 18.630 -25.325 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.476 17.930 -23.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.510 17.093 -24.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.397 17.579 -26.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.749 16.068 -25.649 1.00 0.00 H new ATOM 8 N SER A 2 31.155 16.861 -25.240 1.00 0.00 N ATOM 9 CA SER A 2 29.869 16.953 -24.558 1.00 0.00 C ATOM 10 C SER A 2 28.817 16.104 -25.264 1.00 0.00 C ATOM 11 O SER A 2 29.064 15.556 -26.338 1.00 0.00 O ATOM 12 CB SER A 2 29.406 18.410 -24.493 1.00 0.00 C ATOM 13 OG SER A 2 29.987 19.082 -23.389 1.00 0.00 O ATOM 0 H SER A 2 31.107 16.461 -26.177 1.00 0.00 H new ATOM 0 HA SER A 2 29.995 16.573 -23.544 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.675 18.922 -25.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.319 18.446 -24.414 1.00 0.00 H new ATOM 0 HG SER A 2 30.862 18.688 -23.189 1.00 0.00 H new ATOM 19 N SER A 3 27.641 16.001 -24.653 1.00 0.00 N ATOM 20 CA SER A 3 26.551 15.216 -25.220 1.00 0.00 C ATOM 21 C SER A 3 25.211 15.912 -25.004 1.00 0.00 C ATOM 22 O SER A 3 25.139 16.963 -24.369 1.00 0.00 O ATOM 23 CB SER A 3 26.520 13.820 -24.594 1.00 0.00 C ATOM 24 OG SER A 3 27.777 13.177 -24.719 1.00 0.00 O ATOM 0 H SER A 3 27.419 16.451 -23.765 1.00 0.00 H new ATOM 0 HA SER A 3 26.723 15.122 -26.292 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.250 13.896 -23.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.750 13.218 -25.077 1.00 0.00 H new ATOM 0 HG SER A 3 27.732 12.288 -24.310 1.00 0.00 H new ATOM 30 N GLY A 4 24.149 15.316 -25.539 1.00 0.00 N ATOM 31 CA GLY A 4 22.824 15.892 -25.395 1.00 0.00 C ATOM 32 C GLY A 4 21.738 14.837 -25.320 1.00 0.00 C ATOM 33 O GLY A 4 22.008 13.647 -25.476 1.00 0.00 O ATOM 0 H GLY A 4 24.183 14.445 -26.069 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.794 16.505 -24.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.625 16.554 -26.238 1.00 0.00 H new ATOM 37 N SER A 5 20.507 15.274 -25.078 1.00 0.00 N ATOM 38 CA SER A 5 19.377 14.359 -24.976 1.00 0.00 C ATOM 39 C SER A 5 18.056 15.121 -24.996 1.00 0.00 C ATOM 40 O SER A 5 18.037 16.352 -24.997 1.00 0.00 O ATOM 41 CB SER A 5 19.480 13.528 -23.696 1.00 0.00 C ATOM 42 OG SER A 5 19.141 14.301 -22.558 1.00 0.00 O ATOM 0 H SER A 5 20.267 16.257 -24.949 1.00 0.00 H new ATOM 0 HA SER A 5 19.404 13.692 -25.837 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.817 12.665 -23.764 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.494 13.143 -23.589 1.00 0.00 H new ATOM 0 HG SER A 5 19.213 13.747 -21.753 1.00 0.00 H new ATOM 48 N SER A 6 16.952 14.381 -25.012 1.00 0.00 N ATOM 49 CA SER A 6 15.625 14.986 -25.036 1.00 0.00 C ATOM 50 C SER A 6 14.648 14.185 -24.181 1.00 0.00 C ATOM 51 O SER A 6 14.837 12.991 -23.955 1.00 0.00 O ATOM 52 CB SER A 6 15.108 15.076 -26.473 1.00 0.00 C ATOM 53 OG SER A 6 15.185 13.818 -27.122 1.00 0.00 O ATOM 0 H SER A 6 16.950 13.361 -25.009 1.00 0.00 H new ATOM 0 HA SER A 6 15.703 15.991 -24.622 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.075 15.425 -26.470 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.691 15.811 -27.027 1.00 0.00 H new ATOM 0 HG SER A 6 14.847 13.901 -28.038 1.00 0.00 H new ATOM 59 N GLY A 7 13.601 14.854 -23.708 1.00 0.00 N ATOM 60 CA GLY A 7 12.608 14.191 -22.883 1.00 0.00 C ATOM 61 C GLY A 7 11.350 15.018 -22.711 1.00 0.00 C ATOM 62 O GLY A 7 11.161 16.022 -23.398 1.00 0.00 O ATOM 0 H GLY A 7 13.423 15.843 -23.881 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.350 13.232 -23.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.037 13.980 -21.903 1.00 0.00 H new ATOM 66 N GLN A 8 10.487 14.596 -21.793 1.00 0.00 N ATOM 67 CA GLN A 8 9.239 15.305 -21.535 1.00 0.00 C ATOM 68 C GLN A 8 9.004 15.467 -20.037 1.00 0.00 C ATOM 69 O GLN A 8 8.153 14.805 -19.442 1.00 0.00 O ATOM 70 CB GLN A 8 8.064 14.559 -22.170 1.00 0.00 C ATOM 71 CG GLN A 8 7.818 14.933 -23.622 1.00 0.00 C ATOM 72 CD GLN A 8 6.910 16.138 -23.769 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.721 16.002 -24.058 1.00 0.00 O ATOM 74 NE2 GLN A 8 7.466 17.327 -23.570 1.00 0.00 N ATOM 0 H GLN A 8 10.629 13.767 -21.216 1.00 0.00 H new ATOM 0 HA GLN A 8 9.315 16.297 -21.981 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.248 13.487 -22.106 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.162 14.762 -21.593 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.772 15.141 -24.106 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.375 14.084 -24.142 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.456 17.394 -23.332 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.904 18.174 -23.655 1.00 0.00 H new ATOM 83 N PRO A 9 9.775 16.368 -19.411 1.00 0.00 N ATOM 84 CA PRO A 9 9.669 16.638 -17.974 1.00 0.00 C ATOM 85 C PRO A 9 8.372 17.352 -17.612 1.00 0.00 C ATOM 86 O PRO A 9 8.322 18.581 -17.553 1.00 0.00 O ATOM 87 CB PRO A 9 10.873 17.541 -17.693 1.00 0.00 C ATOM 88 CG PRO A 9 11.166 18.198 -18.997 1.00 0.00 C ATOM 89 CD PRO A 9 10.809 17.193 -20.057 1.00 0.00 C ATOM 0 HA PRO A 9 9.661 15.720 -17.387 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.645 18.276 -16.922 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.727 16.963 -17.340 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.583 19.112 -19.113 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.217 18.480 -19.065 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.432 17.676 -20.958 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.672 16.597 -20.352 1.00 0.00 H new ATOM 97 N THR A 10 7.321 16.574 -17.370 1.00 0.00 N ATOM 98 CA THR A 10 6.022 17.133 -17.014 1.00 0.00 C ATOM 99 C THR A 10 5.585 16.670 -15.630 1.00 0.00 C ATOM 100 O THR A 10 5.177 15.523 -15.448 1.00 0.00 O ATOM 101 CB THR A 10 4.942 16.739 -18.040 1.00 0.00 C ATOM 102 OG1 THR A 10 4.857 15.313 -18.139 1.00 0.00 O ATOM 103 CG2 THR A 10 5.253 17.330 -19.407 1.00 0.00 C ATOM 0 H THR A 10 7.344 15.555 -17.414 1.00 0.00 H new ATOM 0 HA THR A 10 6.134 18.217 -17.012 1.00 0.00 H new ATOM 0 HB THR A 10 3.986 17.136 -17.699 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.941 14.918 -17.246 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.477 17.038 -20.115 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.288 18.417 -19.334 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.218 16.959 -19.753 1.00 0.00 H new ATOM 111 N ALA A 11 5.672 17.569 -14.655 1.00 0.00 N ATOM 112 CA ALA A 11 5.282 17.253 -13.287 1.00 0.00 C ATOM 113 C ALA A 11 5.209 18.514 -12.432 1.00 0.00 C ATOM 114 O ALA A 11 6.224 19.160 -12.176 1.00 0.00 O ATOM 115 CB ALA A 11 6.257 16.256 -12.678 1.00 0.00 C ATOM 0 H ALA A 11 6.009 18.522 -14.788 1.00 0.00 H new ATOM 0 HA ALA A 11 4.289 16.805 -13.312 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.954 16.029 -11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.257 15.340 -13.269 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.259 16.684 -12.672 1.00 0.00 H new ATOM 121 N GLN A 12 4.002 18.856 -11.994 1.00 0.00 N ATOM 122 CA GLN A 12 3.797 20.041 -11.168 1.00 0.00 C ATOM 123 C GLN A 12 3.396 19.653 -9.749 1.00 0.00 C ATOM 124 O GLN A 12 2.515 20.271 -9.153 1.00 0.00 O ATOM 125 CB GLN A 12 2.725 20.940 -11.786 1.00 0.00 C ATOM 126 CG GLN A 12 1.346 20.303 -11.827 1.00 0.00 C ATOM 127 CD GLN A 12 0.297 21.218 -12.426 1.00 0.00 C ATOM 128 OE1 GLN A 12 0.541 22.407 -12.636 1.00 0.00 O ATOM 129 NE2 GLN A 12 -0.879 20.669 -12.705 1.00 0.00 N ATOM 0 H GLN A 12 3.152 18.330 -12.197 1.00 0.00 H new ATOM 0 HA GLN A 12 4.738 20.589 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.670 21.869 -11.218 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.024 21.204 -12.800 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.393 19.382 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.047 20.028 -10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.038 19.680 -12.515 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.624 21.237 -13.110 1.00 0.00 H new ATOM 138 N GLN A 13 4.048 18.626 -9.215 1.00 0.00 N ATOM 139 CA GLN A 13 3.758 18.155 -7.866 1.00 0.00 C ATOM 140 C GLN A 13 4.756 17.086 -7.435 1.00 0.00 C ATOM 141 O GLN A 13 5.440 16.492 -8.268 1.00 0.00 O ATOM 142 CB GLN A 13 2.334 17.600 -7.792 1.00 0.00 C ATOM 143 CG GLN A 13 2.121 16.358 -8.642 1.00 0.00 C ATOM 144 CD GLN A 13 0.663 16.136 -8.996 1.00 0.00 C ATOM 145 OE1 GLN A 13 -0.235 16.544 -8.259 1.00 0.00 O ATOM 146 NE2 GLN A 13 0.421 15.488 -10.129 1.00 0.00 N ATOM 0 H GLN A 13 4.781 18.104 -9.696 1.00 0.00 H new ATOM 0 HA GLN A 13 3.846 19.002 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.098 17.365 -6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.635 18.373 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.704 16.445 -9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.498 15.487 -8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.197 15.168 -10.709 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.540 15.310 -10.420 1.00 0.00 H new ATOM 155 N GLN A 14 4.834 16.846 -6.130 1.00 0.00 N ATOM 156 CA GLN A 14 5.750 15.849 -5.590 1.00 0.00 C ATOM 157 C GLN A 14 5.138 15.144 -4.384 1.00 0.00 C ATOM 158 O GLN A 14 4.242 15.678 -3.728 1.00 0.00 O ATOM 159 CB GLN A 14 7.075 16.503 -5.196 1.00 0.00 C ATOM 160 CG GLN A 14 6.959 17.445 -4.009 1.00 0.00 C ATOM 161 CD GLN A 14 6.443 18.816 -4.401 1.00 0.00 C ATOM 162 OE1 GLN A 14 7.181 19.636 -4.949 1.00 0.00 O ATOM 163 NE2 GLN A 14 5.171 19.073 -4.122 1.00 0.00 N ATOM 0 H GLN A 14 4.274 17.329 -5.427 1.00 0.00 H new ATOM 0 HA GLN A 14 5.937 15.106 -6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.800 15.723 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.466 17.055 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.291 17.008 -3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.936 17.550 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.595 18.364 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.769 19.979 -4.363 1.00 0.00 H new ATOM 172 N LEU A 15 5.626 13.943 -4.096 1.00 0.00 N ATOM 173 CA LEU A 15 5.127 13.164 -2.968 1.00 0.00 C ATOM 174 C LEU A 15 6.139 13.151 -1.826 1.00 0.00 C ATOM 175 O LEU A 15 7.347 13.079 -2.052 1.00 0.00 O ATOM 176 CB LEU A 15 4.819 11.732 -3.408 1.00 0.00 C ATOM 177 CG LEU A 15 3.944 11.586 -4.653 1.00 0.00 C ATOM 178 CD1 LEU A 15 4.057 10.181 -5.224 1.00 0.00 C ATOM 179 CD2 LEU A 15 2.494 11.917 -4.329 1.00 0.00 C ATOM 0 H LEU A 15 6.367 13.487 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 15 4.210 13.633 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.763 11.218 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.329 11.217 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 15 4.297 12.291 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.427 10.096 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.094 9.981 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.731 9.457 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.886 11.808 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.129 11.237 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.427 12.943 -3.968 1.00 0.00 H new ATOM 191 N THR A 16 5.636 13.218 -0.597 1.00 0.00 N ATOM 192 CA THR A 16 6.495 13.213 0.581 1.00 0.00 C ATOM 193 C THR A 16 7.257 11.898 0.700 1.00 0.00 C ATOM 194 O THR A 16 8.394 11.868 1.171 1.00 0.00 O ATOM 195 CB THR A 16 5.682 13.440 1.870 1.00 0.00 C ATOM 196 OG1 THR A 16 6.497 13.171 3.016 1.00 0.00 O ATOM 197 CG2 THR A 16 4.450 12.548 1.897 1.00 0.00 C ATOM 0 H THR A 16 4.639 13.276 -0.392 1.00 0.00 H new ATOM 0 HA THR A 16 7.204 14.031 0.458 1.00 0.00 H new ATOM 0 HB THR A 16 5.358 14.481 1.891 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.974 13.319 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.892 12.726 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.817 12.775 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.757 11.503 1.855 1.00 0.00 H new ATOM 205 N LYS A 17 6.626 10.812 0.268 1.00 0.00 N ATOM 206 CA LYS A 17 7.245 9.493 0.323 1.00 0.00 C ATOM 207 C LYS A 17 7.532 8.968 -1.080 1.00 0.00 C ATOM 208 O LYS A 17 6.974 9.438 -2.071 1.00 0.00 O ATOM 209 CB LYS A 17 6.338 8.513 1.070 1.00 0.00 C ATOM 210 CG LYS A 17 6.603 8.458 2.565 1.00 0.00 C ATOM 211 CD LYS A 17 5.834 9.538 3.307 1.00 0.00 C ATOM 212 CE LYS A 17 4.367 9.169 3.467 1.00 0.00 C ATOM 213 NZ LYS A 17 3.588 10.262 4.112 1.00 0.00 N ATOM 0 H LYS A 17 5.685 10.819 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 17 8.190 9.584 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.298 8.794 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.470 7.516 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.320 7.478 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.670 8.577 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.280 9.694 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.916 10.481 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.940 8.946 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.284 8.262 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.931 9.856 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.239 10.916 4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.049 10.778 3.388 1.00 0.00 H new ATOM 227 N PRO A 18 8.424 7.970 -1.167 1.00 0.00 N ATOM 228 CA PRO A 18 8.804 7.358 -2.444 1.00 0.00 C ATOM 229 C PRO A 18 7.674 6.533 -3.051 1.00 0.00 C ATOM 230 O PRO A 18 7.851 5.884 -4.081 1.00 0.00 O ATOM 231 CB PRO A 18 9.982 6.455 -2.068 1.00 0.00 C ATOM 232 CG PRO A 18 9.774 6.142 -0.627 1.00 0.00 C ATOM 233 CD PRO A 18 9.129 7.361 -0.027 1.00 0.00 C ATOM 0 HA PRO A 18 9.046 8.107 -3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.994 5.548 -2.672 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.935 6.959 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.138 5.265 -0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.721 5.920 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.441 7.097 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.869 8.040 0.397 1.00 0.00 H new ATOM 241 N ALA A 19 6.512 6.564 -2.406 1.00 0.00 N ATOM 242 CA ALA A 19 5.353 5.822 -2.884 1.00 0.00 C ATOM 243 C ALA A 19 5.556 4.320 -2.719 1.00 0.00 C ATOM 244 O ALA A 19 5.217 3.535 -3.605 1.00 0.00 O ATOM 245 CB ALA A 19 5.073 6.161 -4.341 1.00 0.00 C ATOM 0 H ALA A 19 6.349 7.095 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 19 4.493 6.114 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.204 5.599 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.875 7.229 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.939 5.898 -4.949 1.00 0.00 H new ATOM 251 N LYS A 20 6.113 3.925 -1.578 1.00 0.00 N ATOM 252 CA LYS A 20 6.362 2.517 -1.295 1.00 0.00 C ATOM 253 C LYS A 20 5.143 1.668 -1.645 1.00 0.00 C ATOM 254 O LYS A 20 4.008 2.139 -1.578 1.00 0.00 O ATOM 255 CB LYS A 20 6.721 2.328 0.180 1.00 0.00 C ATOM 256 CG LYS A 20 7.475 1.040 0.462 1.00 0.00 C ATOM 257 CD LYS A 20 8.348 1.164 1.700 1.00 0.00 C ATOM 258 CE LYS A 20 9.683 1.817 1.377 1.00 0.00 C ATOM 259 NZ LYS A 20 9.584 3.303 1.360 1.00 0.00 N ATOM 0 H LYS A 20 6.400 4.561 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 20 7.200 2.191 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.326 3.173 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.806 2.341 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.765 0.224 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.095 0.785 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.828 1.752 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.519 0.176 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.425 1.511 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.034 1.465 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.467 3.714 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.426 3.629 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.789 3.605 1.959 1.00 0.00 H new ATOM 273 N ILE A 21 5.387 0.416 -2.016 1.00 0.00 N ATOM 274 CA ILE A 21 4.310 -0.498 -2.374 1.00 0.00 C ATOM 275 C ILE A 21 4.518 -1.869 -1.738 1.00 0.00 C ATOM 276 O ILE A 21 5.632 -2.393 -1.715 1.00 0.00 O ATOM 277 CB ILE A 21 4.196 -0.665 -3.900 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.039 0.700 -4.574 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.024 -1.571 -4.248 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.095 0.638 -6.084 1.00 0.00 C ATOM 0 H ILE A 21 6.321 0.011 -2.077 1.00 0.00 H new ATOM 0 HA ILE A 21 3.387 -0.060 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 21 5.111 -1.129 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.088 1.138 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.825 1.365 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.957 -1.679 -5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.174 -2.551 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.101 -1.133 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.977 1.641 -6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.056 0.229 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.292 -0.001 -6.452 1.00 0.00 H new ATOM 292 N THR A 22 3.437 -2.447 -1.223 1.00 0.00 N ATOM 293 CA THR A 22 3.500 -3.757 -0.588 1.00 0.00 C ATOM 294 C THR A 22 2.448 -4.698 -1.163 1.00 0.00 C ATOM 295 O THR A 22 1.434 -4.256 -1.704 1.00 0.00 O ATOM 296 CB THR A 22 3.300 -3.652 0.936 1.00 0.00 C ATOM 297 OG1 THR A 22 2.218 -2.762 1.229 1.00 0.00 O ATOM 298 CG2 THR A 22 4.569 -3.158 1.615 1.00 0.00 C ATOM 0 H THR A 22 2.507 -2.028 -1.234 1.00 0.00 H new ATOM 0 HA THR A 22 4.493 -4.159 -0.791 1.00 0.00 H new ATOM 0 HB THR A 22 3.065 -4.645 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.097 -2.703 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.404 -3.092 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.383 -3.854 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.830 -2.174 1.227 1.00 0.00 H new ATOM 306 N CYS A 23 2.694 -5.998 -1.042 1.00 0.00 N ATOM 307 CA CYS A 23 1.768 -7.003 -1.550 1.00 0.00 C ATOM 308 C CYS A 23 0.407 -6.882 -0.869 1.00 0.00 C ATOM 309 O CYS A 23 0.323 -6.674 0.341 1.00 0.00 O ATOM 310 CB CYS A 23 2.336 -8.407 -1.332 1.00 0.00 C ATOM 311 SG CYS A 23 1.237 -9.749 -1.888 1.00 0.00 S ATOM 0 H CYS A 23 3.528 -6.381 -0.596 1.00 0.00 H new ATOM 0 HA CYS A 23 1.637 -6.833 -2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.287 -8.489 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.547 -8.541 -0.271 1.00 0.00 H new ATOM 316 N ALA A 24 -0.655 -7.013 -1.657 1.00 0.00 N ATOM 317 CA ALA A 24 -2.012 -6.921 -1.131 1.00 0.00 C ATOM 318 C ALA A 24 -2.456 -8.247 -0.523 1.00 0.00 C ATOM 319 O ALA A 24 -3.649 -8.491 -0.347 1.00 0.00 O ATOM 320 CB ALA A 24 -2.975 -6.492 -2.228 1.00 0.00 C ATOM 0 H ALA A 24 -0.602 -7.183 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.019 -6.169 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.984 -6.427 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.676 -5.517 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.955 -7.224 -3.036 1.00 0.00 H new ATOM 326 N ASN A 25 -1.489 -9.101 -0.206 1.00 0.00 N ATOM 327 CA ASN A 25 -1.781 -10.404 0.381 1.00 0.00 C ATOM 328 C ASN A 25 -0.916 -10.652 1.613 1.00 0.00 C ATOM 329 O ASN A 25 -1.429 -10.849 2.716 1.00 0.00 O ATOM 330 CB ASN A 25 -1.553 -11.513 -0.648 1.00 0.00 C ATOM 331 CG ASN A 25 -2.298 -12.787 -0.299 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.444 -12.980 -0.706 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.648 -13.664 0.457 1.00 0.00 N ATOM 0 H ASN A 25 -0.496 -8.915 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.827 -10.411 0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.874 -11.165 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.486 -11.726 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.098 -14.540 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.699 -13.462 0.771 1.00 0.00 H new ATOM 340 N CYS A 26 0.398 -10.641 1.418 1.00 0.00 N ATOM 341 CA CYS A 26 1.336 -10.864 2.512 1.00 0.00 C ATOM 342 C CYS A 26 1.819 -9.539 3.094 1.00 0.00 C ATOM 343 O CYS A 26 2.401 -9.499 4.178 1.00 0.00 O ATOM 344 CB CYS A 26 2.531 -11.688 2.027 1.00 0.00 C ATOM 345 SG CYS A 26 3.391 -10.973 0.590 1.00 0.00 S ATOM 0 H CYS A 26 0.838 -10.480 0.512 1.00 0.00 H new ATOM 0 HA CYS A 26 0.817 -11.416 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.242 -11.795 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.188 -12.690 1.770 1.00 0.00 H new ATOM 350 N LYS A 27 1.573 -8.455 2.365 1.00 0.00 N ATOM 351 CA LYS A 27 1.981 -7.127 2.807 1.00 0.00 C ATOM 352 C LYS A 27 3.498 -7.040 2.940 1.00 0.00 C ATOM 353 O LYS A 27 4.017 -6.565 3.951 1.00 0.00 O ATOM 354 CB LYS A 27 1.321 -6.787 4.146 1.00 0.00 C ATOM 355 CG LYS A 27 -0.150 -6.427 4.024 1.00 0.00 C ATOM 356 CD LYS A 27 -0.338 -5.059 3.390 1.00 0.00 C ATOM 357 CE LYS A 27 -1.811 -4.697 3.273 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.501 -5.512 2.235 1.00 0.00 N ATOM 0 H LYS A 27 1.093 -8.471 1.465 1.00 0.00 H new ATOM 0 HA LYS A 27 1.658 -6.406 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.424 -7.638 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.854 -5.953 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.661 -7.180 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.611 -6.438 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.177 -4.306 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.120 -5.049 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.299 -4.846 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.907 -3.639 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.877 -4.885 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.825 -6.180 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.283 -6.040 2.672 1.00 0.00 H new ATOM 372 N LYS A 28 4.205 -7.500 1.913 1.00 0.00 N ATOM 373 CA LYS A 28 5.663 -7.471 1.913 1.00 0.00 C ATOM 374 C LYS A 28 6.183 -6.270 1.131 1.00 0.00 C ATOM 375 O LYS A 28 5.614 -5.864 0.118 1.00 0.00 O ATOM 376 CB LYS A 28 6.218 -8.764 1.312 1.00 0.00 C ATOM 377 CG LYS A 28 6.360 -9.892 2.320 1.00 0.00 C ATOM 378 CD LYS A 28 6.567 -11.231 1.633 1.00 0.00 C ATOM 379 CE LYS A 28 8.031 -11.464 1.294 1.00 0.00 C ATOM 380 NZ LYS A 28 8.203 -12.560 0.300 1.00 0.00 N ATOM 0 H LYS A 28 3.792 -7.898 1.070 1.00 0.00 H new ATOM 0 HA LYS A 28 6.000 -7.383 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.562 -9.090 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.192 -8.560 0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.202 -9.687 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.468 -9.937 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.211 -12.032 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.971 -11.269 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.463 -10.545 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.580 -11.709 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.215 -12.688 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.814 -13.444 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.701 -12.315 -0.577 1.00 0.00 H new ATOM 394 N PRO A 29 7.293 -5.687 1.609 1.00 0.00 N ATOM 395 CA PRO A 29 7.915 -4.525 0.969 1.00 0.00 C ATOM 396 C PRO A 29 8.558 -4.876 -0.369 1.00 0.00 C ATOM 397 O PRO A 29 9.692 -5.356 -0.417 1.00 0.00 O ATOM 398 CB PRO A 29 8.982 -4.092 1.978 1.00 0.00 C ATOM 399 CG PRO A 29 9.303 -5.330 2.743 1.00 0.00 C ATOM 400 CD PRO A 29 8.024 -6.118 2.812 1.00 0.00 C ATOM 0 HA PRO A 29 7.186 -3.748 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.865 -3.697 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.610 -3.306 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.088 -5.902 2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.667 -5.088 3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.212 -7.192 2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.465 -5.899 3.722 1.00 0.00 H new ATOM 408 N LEU A 30 7.829 -4.632 -1.452 1.00 0.00 N ATOM 409 CA LEU A 30 8.329 -4.922 -2.792 1.00 0.00 C ATOM 410 C LEU A 30 9.326 -3.859 -3.243 1.00 0.00 C ATOM 411 O LEU A 30 9.271 -2.714 -2.795 1.00 0.00 O ATOM 412 CB LEU A 30 7.168 -5.003 -3.784 1.00 0.00 C ATOM 413 CG LEU A 30 5.990 -5.884 -3.368 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.775 -5.597 -4.237 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.369 -7.356 -3.449 1.00 0.00 C ATOM 0 H LEU A 30 6.890 -4.234 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 30 8.841 -5.884 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.796 -3.994 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.554 -5.372 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 30 5.735 -5.651 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.947 -6.234 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.489 -4.551 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.017 -5.801 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.518 -7.968 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.651 -7.603 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.210 -7.552 -2.783 1.00 0.00 H new ATOM 427 N GLN A 31 10.234 -4.247 -4.133 1.00 0.00 N ATOM 428 CA GLN A 31 11.241 -3.326 -4.646 1.00 0.00 C ATOM 429 C GLN A 31 10.981 -2.996 -6.112 1.00 0.00 C ATOM 430 O GLN A 31 10.432 -3.809 -6.855 1.00 0.00 O ATOM 431 CB GLN A 31 12.639 -3.925 -4.486 1.00 0.00 C ATOM 432 CG GLN A 31 12.997 -4.259 -3.047 1.00 0.00 C ATOM 433 CD GLN A 31 13.625 -3.089 -2.315 1.00 0.00 C ATOM 434 OE1 GLN A 31 13.035 -2.012 -2.220 1.00 0.00 O ATOM 435 NE2 GLN A 31 14.829 -3.294 -1.793 1.00 0.00 N ATOM 0 H GLN A 31 10.293 -5.192 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 31 11.180 -2.403 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.708 -4.831 -5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.373 -3.223 -4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.098 -4.574 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.687 -5.103 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.281 -4.202 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.301 -2.543 -1.290 1.00 0.00 H new ATOM 444 N LYS A 32 11.379 -1.796 -6.523 1.00 0.00 N ATOM 445 CA LYS A 32 11.191 -1.358 -7.901 1.00 0.00 C ATOM 446 C LYS A 32 11.769 -2.375 -8.879 1.00 0.00 C ATOM 447 O LYS A 32 11.161 -2.677 -9.906 1.00 0.00 O ATOM 448 CB LYS A 32 11.850 0.006 -8.118 1.00 0.00 C ATOM 449 CG LYS A 32 13.359 -0.012 -7.941 1.00 0.00 C ATOM 450 CD LYS A 32 13.985 1.307 -8.361 1.00 0.00 C ATOM 451 CE LYS A 32 15.329 1.526 -7.683 1.00 0.00 C ATOM 452 NZ LYS A 32 15.863 2.893 -7.939 1.00 0.00 N ATOM 0 H LYS A 32 11.834 -1.110 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 32 10.120 -1.271 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.615 0.358 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.419 0.723 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.602 -0.215 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.786 -0.823 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.115 1.321 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.312 2.127 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.223 1.373 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.042 0.784 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.780 3.003 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.988 3.031 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.195 3.601 -7.573 1.00 0.00 H new ATOM 466 N GLY A 33 12.945 -2.901 -8.554 1.00 0.00 N ATOM 467 CA GLY A 33 13.584 -3.880 -9.414 1.00 0.00 C ATOM 468 C GLY A 33 12.808 -5.179 -9.490 1.00 0.00 C ATOM 469 O GLY A 33 12.605 -5.726 -10.574 1.00 0.00 O ATOM 0 H GLY A 33 13.467 -2.667 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.690 -3.465 -10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.589 -4.082 -9.045 1.00 0.00 H new ATOM 473 N GLN A 34 12.375 -5.676 -8.336 1.00 0.00 N ATOM 474 CA GLN A 34 11.619 -6.922 -8.276 1.00 0.00 C ATOM 475 C GLN A 34 10.421 -6.877 -9.219 1.00 0.00 C ATOM 476 O GLN A 34 10.125 -5.841 -9.817 1.00 0.00 O ATOM 477 CB GLN A 34 11.147 -7.189 -6.846 1.00 0.00 C ATOM 478 CG GLN A 34 12.285 -7.357 -5.852 1.00 0.00 C ATOM 479 CD GLN A 34 12.982 -8.697 -5.984 1.00 0.00 C ATOM 480 OE1 GLN A 34 12.697 -9.635 -5.239 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.902 -8.793 -6.937 1.00 0.00 N ATOM 0 H GLN A 34 12.535 -5.235 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 34 12.277 -7.732 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.511 -6.365 -6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.532 -8.089 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.012 -6.558 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.896 -7.252 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.106 -7.990 -7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.404 -9.670 -7.074 1.00 0.00 H new ATOM 490 N THR A 35 9.733 -8.007 -9.349 1.00 0.00 N ATOM 491 CA THR A 35 8.568 -8.097 -10.220 1.00 0.00 C ATOM 492 C THR A 35 7.292 -8.299 -9.412 1.00 0.00 C ATOM 493 O THR A 35 7.261 -9.090 -8.470 1.00 0.00 O ATOM 494 CB THR A 35 8.711 -9.251 -11.231 1.00 0.00 C ATOM 495 OG1 THR A 35 9.866 -9.045 -12.051 1.00 0.00 O ATOM 496 CG2 THR A 35 7.473 -9.358 -12.108 1.00 0.00 C ATOM 0 H THR A 35 9.963 -8.873 -8.862 1.00 0.00 H new ATOM 0 HA THR A 35 8.505 -7.154 -10.763 1.00 0.00 H new ATOM 0 HB THR A 35 8.824 -10.181 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.950 -9.784 -12.689 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.597 -10.179 -12.814 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.600 -9.545 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.334 -8.426 -12.656 1.00 0.00 H new ATOM 504 N ALA A 36 6.239 -7.579 -9.787 1.00 0.00 N ATOM 505 CA ALA A 36 4.959 -7.682 -9.099 1.00 0.00 C ATOM 506 C ALA A 36 3.857 -8.131 -10.052 1.00 0.00 C ATOM 507 O ALA A 36 4.091 -8.306 -11.249 1.00 0.00 O ATOM 508 CB ALA A 36 4.595 -6.350 -8.459 1.00 0.00 C ATOM 0 H ALA A 36 6.248 -6.918 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 36 5.055 -8.435 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.636 -6.442 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.364 -6.070 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.523 -5.583 -9.230 1.00 0.00 H new ATOM 514 N TYR A 37 2.657 -8.318 -9.516 1.00 0.00 N ATOM 515 CA TYR A 37 1.519 -8.751 -10.319 1.00 0.00 C ATOM 516 C TYR A 37 0.313 -7.845 -10.089 1.00 0.00 C ATOM 517 O TYR A 37 0.144 -7.284 -9.007 1.00 0.00 O ATOM 518 CB TYR A 37 1.154 -10.199 -9.986 1.00 0.00 C ATOM 519 CG TYR A 37 2.275 -11.180 -10.244 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.417 -11.185 -9.452 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.193 -12.102 -11.280 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.444 -12.079 -9.684 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.214 -13.001 -11.519 1.00 0.00 C ATOM 524 CZ TYR A 37 4.338 -12.986 -10.718 1.00 0.00 C ATOM 525 OH TYR A 37 5.358 -13.879 -10.954 1.00 0.00 O ATOM 0 H TYR A 37 2.446 -8.177 -8.528 1.00 0.00 H new ATOM 0 HA TYR A 37 1.803 -8.687 -11.369 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.863 -10.260 -8.937 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.284 -10.490 -10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.503 -10.477 -8.641 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.316 -12.116 -11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.325 -12.068 -9.059 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.133 -13.712 -12.328 1.00 0.00 H new ATOM 0 HH TYR A 37 5.125 -14.448 -11.717 1.00 0.00 H new ATOM 535 N GLN A 38 -0.521 -7.709 -11.114 1.00 0.00 N ATOM 536 CA GLN A 38 -1.711 -6.872 -11.024 1.00 0.00 C ATOM 537 C GLN A 38 -2.903 -7.547 -11.694 1.00 0.00 C ATOM 538 O GLN A 38 -2.740 -8.341 -12.620 1.00 0.00 O ATOM 539 CB GLN A 38 -1.452 -5.510 -11.671 1.00 0.00 C ATOM 540 CG GLN A 38 -2.356 -4.406 -11.146 1.00 0.00 C ATOM 541 CD GLN A 38 -2.117 -3.078 -11.838 1.00 0.00 C ATOM 542 OE1 GLN A 38 -1.141 -2.913 -12.570 1.00 0.00 O ATOM 543 NE2 GLN A 38 -3.009 -2.122 -11.609 1.00 0.00 N ATOM 0 H GLN A 38 -0.395 -8.168 -12.016 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.944 -6.727 -9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.413 -5.228 -11.502 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.587 -5.597 -12.749 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.397 -4.699 -11.280 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.194 -4.288 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.803 -2.302 -10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.900 -1.207 -12.047 1.00 0.00 H new ATOM 552 N ARG A 39 -4.102 -7.226 -11.219 1.00 0.00 N ATOM 553 CA ARG A 39 -5.322 -7.803 -11.771 1.00 0.00 C ATOM 554 C ARG A 39 -5.969 -6.850 -12.773 1.00 0.00 C ATOM 555 O ARG A 39 -5.515 -5.721 -12.955 1.00 0.00 O ATOM 556 CB ARG A 39 -6.310 -8.128 -10.649 1.00 0.00 C ATOM 557 CG ARG A 39 -6.042 -9.461 -9.969 1.00 0.00 C ATOM 558 CD ARG A 39 -6.706 -10.609 -10.712 1.00 0.00 C ATOM 559 NE ARG A 39 -5.836 -11.171 -11.742 1.00 0.00 N ATOM 560 CZ ARG A 39 -6.021 -12.368 -12.287 1.00 0.00 C ATOM 561 NH1 ARG A 39 -7.040 -13.125 -11.904 1.00 0.00 N ATOM 562 NH2 ARG A 39 -5.186 -12.810 -13.219 1.00 0.00 N ATOM 0 H ARG A 39 -4.255 -6.570 -10.453 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.056 -8.724 -12.291 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.273 -7.335 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.321 -8.134 -11.057 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.967 -9.634 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.411 -9.428 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.979 -11.390 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.630 -10.258 -11.171 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.043 -10.614 -12.060 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.685 -12.789 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.179 -14.044 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.401 -12.230 -13.517 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.329 -13.729 -13.637 1.00 0.00 H new ATOM 576 N LYS A 40 -7.032 -7.315 -13.420 1.00 0.00 N ATOM 577 CA LYS A 40 -7.743 -6.506 -14.403 1.00 0.00 C ATOM 578 C LYS A 40 -8.750 -5.583 -13.723 1.00 0.00 C ATOM 579 O LYS A 40 -9.681 -6.043 -13.064 1.00 0.00 O ATOM 580 CB LYS A 40 -8.461 -7.406 -15.412 1.00 0.00 C ATOM 581 CG LYS A 40 -7.541 -7.981 -16.476 1.00 0.00 C ATOM 582 CD LYS A 40 -7.146 -6.929 -17.499 1.00 0.00 C ATOM 583 CE LYS A 40 -6.569 -7.563 -18.755 1.00 0.00 C ATOM 584 NZ LYS A 40 -5.113 -7.841 -18.619 1.00 0.00 N ATOM 0 H LYS A 40 -7.420 -8.248 -13.281 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.011 -5.892 -14.929 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.942 -8.225 -14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.252 -6.835 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.645 -8.385 -16.004 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.038 -8.810 -16.979 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.017 -6.329 -17.760 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.412 -6.252 -17.062 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.097 -8.492 -18.968 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.734 -6.900 -19.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.759 -8.273 -19.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.605 -6.951 -18.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.957 -8.494 -17.824 1.00 0.00 H new ATOM 598 N GLY A 41 -8.557 -4.278 -13.890 1.00 0.00 N ATOM 599 CA GLY A 41 -9.457 -3.313 -13.287 1.00 0.00 C ATOM 600 C GLY A 41 -9.246 -3.177 -11.793 1.00 0.00 C ATOM 601 O GLY A 41 -10.200 -3.230 -11.017 1.00 0.00 O ATOM 0 H GLY A 41 -7.794 -3.872 -14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.314 -2.342 -13.761 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.487 -3.612 -13.479 1.00 0.00 H new ATOM 605 N SER A 42 -7.992 -3.004 -11.387 1.00 0.00 N ATOM 606 CA SER A 42 -7.658 -2.866 -9.974 1.00 0.00 C ATOM 607 C SER A 42 -6.182 -2.524 -9.796 1.00 0.00 C ATOM 608 O SER A 42 -5.319 -3.073 -10.480 1.00 0.00 O ATOM 609 CB SER A 42 -7.988 -4.157 -9.222 1.00 0.00 C ATOM 610 OG SER A 42 -8.334 -3.888 -7.874 1.00 0.00 O ATOM 0 H SER A 42 -7.191 -2.956 -12.016 1.00 0.00 H new ATOM 0 HA SER A 42 -8.254 -2.052 -9.563 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.813 -4.669 -9.717 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.131 -4.829 -9.253 1.00 0.00 H new ATOM 0 HG SER A 42 -7.710 -4.352 -7.277 1.00 0.00 H new ATOM 616 N ALA A 43 -5.900 -1.612 -8.871 1.00 0.00 N ATOM 617 CA ALA A 43 -4.529 -1.197 -8.601 1.00 0.00 C ATOM 618 C ALA A 43 -3.812 -2.213 -7.718 1.00 0.00 C ATOM 619 O ALA A 43 -2.619 -2.468 -7.891 1.00 0.00 O ATOM 620 CB ALA A 43 -4.513 0.177 -7.947 1.00 0.00 C ATOM 0 H ALA A 43 -6.603 -1.147 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.998 -1.142 -9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.483 0.475 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.980 0.903 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.065 0.139 -7.008 1.00 0.00 H new ATOM 626 N HIS A 44 -4.545 -2.791 -6.772 1.00 0.00 N ATOM 627 CA HIS A 44 -3.979 -3.780 -5.862 1.00 0.00 C ATOM 628 C HIS A 44 -2.943 -4.644 -6.575 1.00 0.00 C ATOM 629 O HIS A 44 -3.243 -5.291 -7.579 1.00 0.00 O ATOM 630 CB HIS A 44 -5.084 -4.663 -5.282 1.00 0.00 C ATOM 631 CG HIS A 44 -6.272 -3.893 -4.794 1.00 0.00 C ATOM 632 ND1 HIS A 44 -7.570 -4.324 -4.964 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.352 -2.713 -4.136 1.00 0.00 C ATOM 634 CE1 HIS A 44 -8.398 -3.442 -4.433 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.684 -2.455 -3.923 1.00 0.00 N ATOM 0 H HIS A 44 -5.533 -2.591 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.485 -3.248 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.409 -5.372 -6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.676 -5.247 -4.457 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.523 -2.090 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.475 -3.516 -4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.061 -1.635 -3.448 1.00 0.00 H new ATOM 644 N LEU A 45 -1.722 -4.648 -6.051 1.00 0.00 N ATOM 645 CA LEU A 45 -0.640 -5.432 -6.638 1.00 0.00 C ATOM 646 C LEU A 45 -0.328 -6.655 -5.782 1.00 0.00 C ATOM 647 O LEU A 45 -0.907 -6.841 -4.712 1.00 0.00 O ATOM 648 CB LEU A 45 0.614 -4.571 -6.794 1.00 0.00 C ATOM 649 CG LEU A 45 0.538 -3.459 -7.841 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.751 -2.546 -7.739 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.429 -4.049 -9.239 1.00 0.00 C ATOM 0 H LEU A 45 -1.456 -4.118 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.963 -5.773 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.843 -4.119 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.450 -5.224 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.356 -2.865 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.680 -1.761 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.785 -2.096 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.658 -3.127 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.376 -3.243 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.304 -4.667 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.471 -4.660 -9.307 1.00 0.00 H new ATOM 663 N PHE A 46 0.593 -7.486 -6.260 1.00 0.00 N ATOM 664 CA PHE A 46 0.984 -8.691 -5.538 1.00 0.00 C ATOM 665 C PHE A 46 2.465 -8.995 -5.749 1.00 0.00 C ATOM 666 O PHE A 46 3.053 -8.603 -6.757 1.00 0.00 O ATOM 667 CB PHE A 46 0.137 -9.881 -5.992 1.00 0.00 C ATOM 668 CG PHE A 46 -1.324 -9.731 -5.678 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.779 -9.834 -4.373 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.242 -9.487 -6.686 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.123 -9.698 -4.081 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.587 -9.350 -6.401 1.00 0.00 C ATOM 673 CZ PHE A 46 -4.028 -9.454 -5.096 1.00 0.00 C ATOM 0 H PHE A 46 1.082 -7.347 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 46 0.815 -8.519 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.258 -10.014 -7.067 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.512 -10.787 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.076 -10.023 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.902 -9.403 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.466 -9.782 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.292 -9.162 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.078 -9.345 -4.870 1.00 0.00 H new ATOM 683 N CYS A 47 3.061 -9.697 -4.791 1.00 0.00 N ATOM 684 CA CYS A 47 4.472 -10.054 -4.870 1.00 0.00 C ATOM 685 C CYS A 47 4.676 -11.270 -5.770 1.00 0.00 C ATOM 686 O CYS A 47 5.641 -11.337 -6.531 1.00 0.00 O ATOM 687 CB CYS A 47 5.026 -10.341 -3.473 1.00 0.00 C ATOM 688 SG CYS A 47 4.467 -11.923 -2.762 1.00 0.00 S ATOM 0 H CYS A 47 2.588 -10.030 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 47 5.011 -9.210 -5.301 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.115 -10.340 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.734 -9.531 -2.805 1.00 0.00 H new ATOM 693 N SER A 48 3.760 -12.229 -5.676 1.00 0.00 N ATOM 694 CA SER A 48 3.840 -13.444 -6.478 1.00 0.00 C ATOM 695 C SER A 48 2.448 -13.994 -6.772 1.00 0.00 C ATOM 696 O SER A 48 1.454 -13.536 -6.207 1.00 0.00 O ATOM 697 CB SER A 48 4.677 -14.502 -5.757 1.00 0.00 C ATOM 698 OG SER A 48 4.319 -14.590 -4.389 1.00 0.00 O ATOM 0 H SER A 48 2.954 -12.188 -5.052 1.00 0.00 H new ATOM 0 HA SER A 48 4.320 -13.194 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.536 -15.471 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.735 -14.255 -5.844 1.00 0.00 H new ATOM 0 HG SER A 48 4.430 -13.714 -3.965 1.00 0.00 H new ATOM 704 N THR A 49 2.384 -14.980 -7.662 1.00 0.00 N ATOM 705 CA THR A 49 1.114 -15.593 -8.033 1.00 0.00 C ATOM 706 C THR A 49 0.430 -16.217 -6.822 1.00 0.00 C ATOM 707 O THR A 49 -0.769 -16.034 -6.610 1.00 0.00 O ATOM 708 CB THR A 49 1.307 -16.674 -9.113 1.00 0.00 C ATOM 709 OG1 THR A 49 2.382 -17.546 -8.747 1.00 0.00 O ATOM 710 CG2 THR A 49 1.599 -16.042 -10.466 1.00 0.00 C ATOM 0 H THR A 49 3.196 -15.371 -8.139 1.00 0.00 H new ATOM 0 HA THR A 49 0.484 -14.798 -8.433 1.00 0.00 H new ATOM 0 HB THR A 49 0.384 -17.248 -9.189 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.497 -18.231 -9.438 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.732 -16.825 -11.212 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.766 -15.402 -10.756 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.509 -15.446 -10.400 1.00 0.00 H new ATOM 718 N THR A 50 1.200 -16.955 -6.028 1.00 0.00 N ATOM 719 CA THR A 50 0.667 -17.606 -4.838 1.00 0.00 C ATOM 720 C THR A 50 -0.283 -16.683 -4.084 1.00 0.00 C ATOM 721 O THR A 50 -1.302 -17.124 -3.552 1.00 0.00 O ATOM 722 CB THR A 50 1.796 -18.049 -3.888 1.00 0.00 C ATOM 723 OG1 THR A 50 1.239 -18.624 -2.700 1.00 0.00 O ATOM 724 CG2 THR A 50 2.686 -16.873 -3.519 1.00 0.00 C ATOM 0 H THR A 50 2.194 -17.117 -6.188 1.00 0.00 H new ATOM 0 HA THR A 50 0.120 -18.486 -5.177 1.00 0.00 H new ATOM 0 HB THR A 50 2.402 -18.795 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.963 -18.904 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.476 -17.211 -2.848 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.131 -16.456 -4.422 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.090 -16.108 -3.022 1.00 0.00 H new ATOM 732 N CYS A 51 0.056 -15.399 -4.042 1.00 0.00 N ATOM 733 CA CYS A 51 -0.767 -14.412 -3.354 1.00 0.00 C ATOM 734 C CYS A 51 -1.903 -13.930 -4.251 1.00 0.00 C ATOM 735 O CYS A 51 -3.062 -13.889 -3.836 1.00 0.00 O ATOM 736 CB CYS A 51 0.089 -13.223 -2.912 1.00 0.00 C ATOM 737 SG CYS A 51 1.168 -13.572 -1.487 1.00 0.00 S ATOM 0 H CYS A 51 0.896 -15.017 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.200 -14.887 -2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.706 -12.902 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.567 -12.390 -2.661 1.00 0.00 H new ATOM 742 N LEU A 52 -1.563 -13.566 -5.483 1.00 0.00 N ATOM 743 CA LEU A 52 -2.554 -13.087 -6.440 1.00 0.00 C ATOM 744 C LEU A 52 -3.811 -13.949 -6.399 1.00 0.00 C ATOM 745 O LEU A 52 -4.929 -13.438 -6.470 1.00 0.00 O ATOM 746 CB LEU A 52 -1.968 -13.085 -7.853 1.00 0.00 C ATOM 747 CG LEU A 52 -2.959 -12.835 -8.990 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.066 -11.347 -9.287 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.544 -13.601 -10.238 1.00 0.00 C ATOM 0 H LEU A 52 -0.609 -13.594 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.826 -12.068 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.191 -12.323 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.483 -14.046 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.939 -13.194 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.776 -11.188 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.410 -10.822 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.089 -10.963 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.261 -13.411 -11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.554 -13.273 -10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.520 -14.668 -10.019 1.00 0.00 H new ATOM 761 N SER A 53 -3.621 -15.259 -6.283 1.00 0.00 N ATOM 762 CA SER A 53 -4.740 -16.193 -6.235 1.00 0.00 C ATOM 763 C SER A 53 -5.267 -16.335 -4.810 1.00 0.00 C ATOM 764 O SER A 53 -6.475 -16.294 -4.576 1.00 0.00 O ATOM 765 CB SER A 53 -4.314 -17.561 -6.772 1.00 0.00 C ATOM 766 OG SER A 53 -3.345 -18.160 -5.929 1.00 0.00 O ATOM 0 H SER A 53 -2.702 -15.698 -6.220 1.00 0.00 H new ATOM 0 HA SER A 53 -5.539 -15.798 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.185 -18.212 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.908 -17.450 -7.777 1.00 0.00 H new ATOM 0 HG SER A 53 -3.090 -19.034 -6.293 1.00 0.00 H new ATOM 772 N SER A 54 -4.352 -16.504 -3.861 1.00 0.00 N ATOM 773 CA SER A 54 -4.724 -16.656 -2.459 1.00 0.00 C ATOM 774 C SER A 54 -5.711 -15.572 -2.038 1.00 0.00 C ATOM 775 O SER A 54 -6.733 -15.855 -1.413 1.00 0.00 O ATOM 776 CB SER A 54 -3.479 -16.602 -1.571 1.00 0.00 C ATOM 777 OG SER A 54 -3.833 -16.496 -0.203 1.00 0.00 O ATOM 0 H SER A 54 -3.348 -16.539 -4.037 1.00 0.00 H new ATOM 0 HA SER A 54 -5.205 -17.627 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.879 -17.498 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.861 -15.751 -1.857 1.00 0.00 H new ATOM 0 HG SER A 54 -3.020 -16.465 0.344 1.00 0.00 H new ATOM 783 N PHE A 55 -5.396 -14.328 -2.384 1.00 0.00 N ATOM 784 CA PHE A 55 -6.254 -13.199 -2.041 1.00 0.00 C ATOM 785 C PHE A 55 -7.720 -13.530 -2.306 1.00 0.00 C ATOM 786 O PHE A 55 -8.571 -13.370 -1.432 1.00 0.00 O ATOM 787 CB PHE A 55 -5.846 -11.960 -2.841 1.00 0.00 C ATOM 788 CG PHE A 55 -6.460 -10.688 -2.331 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.966 -10.073 -1.192 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.532 -10.107 -2.990 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.528 -8.902 -0.720 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.098 -8.936 -2.523 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.597 -8.334 -1.385 1.00 0.00 C ATOM 0 H PHE A 55 -4.554 -14.076 -2.901 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.133 -12.992 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.760 -11.864 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.132 -12.100 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.132 -10.514 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.929 -10.575 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.132 -8.432 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.931 -8.492 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.040 -7.421 -1.016 1.00 0.00 H new ATOM 803 N SER A 56 -8.006 -13.991 -3.519 1.00 0.00 N ATOM 804 CA SER A 56 -9.369 -14.341 -3.902 1.00 0.00 C ATOM 805 C SER A 56 -9.576 -15.852 -3.855 1.00 0.00 C ATOM 806 O SER A 56 -9.333 -16.554 -4.837 1.00 0.00 O ATOM 807 CB SER A 56 -9.678 -13.816 -5.305 1.00 0.00 C ATOM 808 OG SER A 56 -8.794 -14.371 -6.264 1.00 0.00 O ATOM 0 H SER A 56 -7.312 -14.131 -4.254 1.00 0.00 H new ATOM 0 HA SER A 56 -10.051 -13.876 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.707 -14.061 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.596 -12.729 -5.316 1.00 0.00 H new ATOM 0 HG SER A 56 -8.680 -15.328 -6.089 1.00 0.00 H new ATOM 814 N SER A 57 -10.028 -16.345 -2.707 1.00 0.00 N ATOM 815 CA SER A 57 -10.265 -17.773 -2.529 1.00 0.00 C ATOM 816 C SER A 57 -11.329 -18.272 -3.501 1.00 0.00 C ATOM 817 O SER A 57 -11.112 -19.233 -4.238 1.00 0.00 O ATOM 818 CB SER A 57 -10.695 -18.065 -1.090 1.00 0.00 C ATOM 819 OG SER A 57 -10.811 -19.459 -0.865 1.00 0.00 O ATOM 0 H SER A 57 -10.238 -15.777 -1.886 1.00 0.00 H new ATOM 0 HA SER A 57 -9.333 -18.299 -2.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.968 -17.641 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.650 -17.580 -0.887 1.00 0.00 H new ATOM 0 HG SER A 57 -11.085 -19.619 0.062 1.00 0.00 H new ATOM 825 N GLY A 58 -12.483 -17.611 -3.496 1.00 0.00 N ATOM 826 CA GLY A 58 -13.565 -18.002 -4.381 1.00 0.00 C ATOM 827 C GLY A 58 -14.061 -16.851 -5.234 1.00 0.00 C ATOM 828 O GLY A 58 -13.468 -15.772 -5.264 1.00 0.00 O ATOM 0 H GLY A 58 -12.688 -16.812 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.226 -18.811 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.392 -18.393 -3.788 1.00 0.00 H new ATOM 832 N PRO A 59 -15.172 -17.075 -5.950 1.00 0.00 N ATOM 833 CA PRO A 59 -15.771 -16.060 -6.822 1.00 0.00 C ATOM 834 C PRO A 59 -16.393 -14.913 -6.034 1.00 0.00 C ATOM 835 O PRO A 59 -16.976 -15.122 -4.970 1.00 0.00 O ATOM 836 CB PRO A 59 -16.851 -16.836 -7.579 1.00 0.00 C ATOM 837 CG PRO A 59 -17.200 -17.974 -6.683 1.00 0.00 C ATOM 838 CD PRO A 59 -15.931 -18.337 -5.963 1.00 0.00 C ATOM 0 HA PRO A 59 -15.031 -15.591 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.720 -16.210 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.483 -17.189 -8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.981 -17.690 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.579 -18.820 -7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.131 -18.696 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.387 -19.127 -6.481 1.00 0.00 H new ATOM 846 N SER A 60 -16.264 -13.700 -6.562 1.00 0.00 N ATOM 847 CA SER A 60 -16.811 -12.518 -5.906 1.00 0.00 C ATOM 848 C SER A 60 -18.336 -12.538 -5.934 1.00 0.00 C ATOM 849 O SER A 60 -18.944 -13.346 -6.635 1.00 0.00 O ATOM 850 CB SER A 60 -16.293 -11.247 -6.583 1.00 0.00 C ATOM 851 OG SER A 60 -16.884 -11.072 -7.859 1.00 0.00 O ATOM 0 H SER A 60 -15.785 -13.510 -7.442 1.00 0.00 H new ATOM 0 HA SER A 60 -16.484 -12.526 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.511 -10.382 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.209 -11.301 -6.685 1.00 0.00 H new ATOM 0 HG SER A 60 -16.538 -10.252 -8.270 1.00 0.00 H new ATOM 857 N SER A 61 -18.947 -11.641 -5.166 1.00 0.00 N ATOM 858 CA SER A 61 -20.401 -11.557 -5.099 1.00 0.00 C ATOM 859 C SER A 61 -20.919 -10.401 -5.950 1.00 0.00 C ATOM 860 O SER A 61 -20.369 -9.301 -5.922 1.00 0.00 O ATOM 861 CB SER A 61 -20.857 -11.382 -3.649 1.00 0.00 C ATOM 862 OG SER A 61 -20.418 -12.461 -2.843 1.00 0.00 O ATOM 0 H SER A 61 -18.458 -10.963 -4.582 1.00 0.00 H new ATOM 0 HA SER A 61 -20.812 -12.487 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 61 -20.466 -10.445 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 61 -21.944 -11.315 -3.612 1.00 0.00 H new ATOM 0 HG SER A 61 -20.721 -12.325 -1.921 1.00 0.00 H new ATOM 868 N GLY A 62 -21.980 -10.661 -6.707 1.00 0.00 N ATOM 869 CA GLY A 62 -22.555 -9.633 -7.556 1.00 0.00 C ATOM 870 C GLY A 62 -21.630 -9.233 -8.689 1.00 0.00 C ATOM 871 O GLY A 62 -22.083 -8.586 -9.631 1.00 0.00 O ATOM 0 H GLY A 62 -22.452 -11.564 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -23.497 -9.993 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -22.786 -8.755 -6.953 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.544 -11.647 -1.473 1.00 0.00 ZN