USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 431 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 48 HIS HE2 : A 48 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 16 ASN : amide:sc= -0.177 K(o=-0.16,f=0.72) USER MOD Set 1.2: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 37 THR OG1 : rot 120:sc= 0.0214 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 USER MOD Single : A 6 SER OG : rot 42:sc= 0.875 USER MOD Single : A 8 GLN : amide:sc=-0.00512 K(o=-0.0051,f=-0.99) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.82 K(o=-2.8,f=-5.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 0.00359 (180deg=-0.151) USER MOD Single : A 28 THR OG1 : rot -47:sc= 0.27 USER MOD Single : A 36 THR OG1 : rot 139:sc= 0.815 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -5.01! C(o=-5!,f=-6.5!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 1.17 (180deg=-0.0643) USER MOD Single : A 56 SER OG : rot 67:sc= 0.316 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0869 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.886 -25.502 -19.059 1.00 0.00 N ATOM 2 CA GLY A 1 -39.466 -24.861 -17.827 1.00 0.00 C ATOM 3 C GLY A 1 -39.392 -23.352 -17.954 1.00 0.00 C ATOM 4 O GLY A 1 -38.520 -22.822 -18.643 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.921 -26.532 -18.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.830 -25.157 -19.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.209 -25.277 -19.816 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.162 -25.122 -17.030 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.489 -25.246 -17.535 1.00 0.00 H new ATOM 8 N SER A 2 -40.310 -22.658 -17.289 1.00 0.00 N ATOM 9 CA SER A 2 -40.348 -21.201 -17.335 1.00 0.00 C ATOM 10 C SER A 2 -39.262 -20.600 -16.446 1.00 0.00 C ATOM 11 O SER A 2 -39.388 -20.580 -15.222 1.00 0.00 O ATOM 12 CB SER A 2 -41.722 -20.692 -16.895 1.00 0.00 C ATOM 13 OG SER A 2 -42.747 -21.206 -17.727 1.00 0.00 O ATOM 0 H SER A 2 -41.037 -23.081 -16.712 1.00 0.00 H new ATOM 0 HA SER A 2 -40.165 -20.890 -18.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 -41.908 -20.984 -15.861 1.00 0.00 H new ATOM 0 HB3 SER A 2 -41.737 -19.603 -16.926 1.00 0.00 H new ATOM 0 HG SER A 2 -43.615 -20.867 -17.424 1.00 0.00 H new ATOM 19 N SER A 3 -38.197 -20.113 -17.073 1.00 0.00 N ATOM 20 CA SER A 3 -37.086 -19.515 -16.341 1.00 0.00 C ATOM 21 C SER A 3 -36.634 -18.218 -17.004 1.00 0.00 C ATOM 22 O SER A 3 -37.097 -17.867 -18.089 1.00 0.00 O ATOM 23 CB SER A 3 -35.914 -20.495 -16.260 1.00 0.00 C ATOM 24 OG SER A 3 -36.168 -21.516 -15.311 1.00 0.00 O ATOM 0 H SER A 3 -38.079 -20.120 -18.086 1.00 0.00 H new ATOM 0 HA SER A 3 -37.429 -19.286 -15.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.740 -20.940 -17.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.005 -19.958 -15.987 1.00 0.00 H new ATOM 0 HG SER A 3 -35.405 -22.130 -15.279 1.00 0.00 H new ATOM 30 N GLY A 4 -35.725 -17.508 -16.343 1.00 0.00 N ATOM 31 CA GLY A 4 -35.224 -16.257 -16.882 1.00 0.00 C ATOM 32 C GLY A 4 -33.809 -15.955 -16.429 1.00 0.00 C ATOM 33 O GLY A 4 -32.958 -15.582 -17.236 1.00 0.00 O ATOM 0 H GLY A 4 -35.326 -17.777 -15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.253 -16.297 -17.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.882 -15.444 -16.575 1.00 0.00 H new ATOM 37 N SER A 5 -33.558 -16.114 -15.133 1.00 0.00 N ATOM 38 CA SER A 5 -32.238 -15.851 -14.573 1.00 0.00 C ATOM 39 C SER A 5 -32.173 -16.281 -13.110 1.00 0.00 C ATOM 40 O SER A 5 -33.093 -16.024 -12.334 1.00 0.00 O ATOM 41 CB SER A 5 -31.897 -14.364 -14.694 1.00 0.00 C ATOM 42 OG SER A 5 -30.494 -14.162 -14.705 1.00 0.00 O ATOM 0 H SER A 5 -34.251 -16.423 -14.452 1.00 0.00 H new ATOM 0 HA SER A 5 -31.508 -16.432 -15.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.333 -13.961 -15.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.340 -13.817 -13.862 1.00 0.00 H new ATOM 0 HG SER A 5 -30.302 -13.204 -14.785 1.00 0.00 H new ATOM 48 N SER A 6 -31.078 -16.939 -12.742 1.00 0.00 N ATOM 49 CA SER A 6 -30.893 -17.409 -11.374 1.00 0.00 C ATOM 50 C SER A 6 -29.786 -16.626 -10.675 1.00 0.00 C ATOM 51 O SER A 6 -28.607 -16.778 -10.992 1.00 0.00 O ATOM 52 CB SER A 6 -30.559 -18.902 -11.367 1.00 0.00 C ATOM 53 OG SER A 6 -29.326 -19.152 -12.020 1.00 0.00 O ATOM 0 H SER A 6 -30.306 -17.159 -13.372 1.00 0.00 H new ATOM 0 HA SER A 6 -31.825 -17.249 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.509 -19.262 -10.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.355 -19.458 -11.861 1.00 0.00 H new ATOM 0 HG SER A 6 -28.672 -18.471 -11.757 1.00 0.00 H new ATOM 59 N GLY A 7 -30.177 -15.785 -9.722 1.00 0.00 N ATOM 60 CA GLY A 7 -29.207 -14.989 -8.992 1.00 0.00 C ATOM 61 C GLY A 7 -29.757 -13.637 -8.584 1.00 0.00 C ATOM 62 O GLY A 7 -30.857 -13.545 -8.041 1.00 0.00 O ATOM 0 H GLY A 7 -31.147 -15.641 -9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.891 -15.533 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.320 -14.846 -9.610 1.00 0.00 H new ATOM 66 N GLN A 8 -28.988 -12.584 -8.845 1.00 0.00 N ATOM 67 CA GLN A 8 -29.404 -11.230 -8.498 1.00 0.00 C ATOM 68 C GLN A 8 -28.632 -10.198 -9.314 1.00 0.00 C ATOM 69 O GLN A 8 -27.421 -10.305 -9.509 1.00 0.00 O ATOM 70 CB GLN A 8 -29.195 -10.976 -7.004 1.00 0.00 C ATOM 71 CG GLN A 8 -27.783 -11.276 -6.528 1.00 0.00 C ATOM 72 CD GLN A 8 -27.705 -11.481 -5.028 1.00 0.00 C ATOM 73 OE1 GLN A 8 -28.655 -11.193 -4.300 1.00 0.00 O ATOM 74 NE2 GLN A 8 -26.569 -11.981 -4.557 1.00 0.00 N ATOM 0 H GLN A 8 -28.075 -12.643 -9.295 1.00 0.00 H new ATOM 0 HA GLN A 8 -30.464 -11.132 -8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -29.430 -9.934 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -29.898 -11.587 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.415 -12.169 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -27.125 -10.455 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -25.807 -12.206 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -26.458 -12.141 -3.556 1.00 0.00 H new ATOM 83 N PRO A 9 -29.348 -9.175 -9.804 1.00 0.00 N ATOM 84 CA PRO A 9 -28.750 -8.104 -10.606 1.00 0.00 C ATOM 85 C PRO A 9 -27.840 -7.200 -9.782 1.00 0.00 C ATOM 86 O PRO A 9 -28.237 -6.109 -9.373 1.00 0.00 O ATOM 87 CB PRO A 9 -29.964 -7.320 -11.112 1.00 0.00 C ATOM 88 CG PRO A 9 -31.032 -7.585 -10.107 1.00 0.00 C ATOM 89 CD PRO A 9 -30.795 -8.984 -9.611 1.00 0.00 C ATOM 0 HA PRO A 9 -28.116 -8.497 -11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -29.745 -6.255 -11.185 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -30.264 -7.653 -12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -30.984 -6.867 -9.288 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -32.021 -7.492 -10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -31.078 -9.092 -8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.375 -9.714 -10.175 1.00 0.00 H new ATOM 97 N SER A 10 -26.617 -7.662 -9.541 1.00 0.00 N ATOM 98 CA SER A 10 -25.650 -6.896 -8.762 1.00 0.00 C ATOM 99 C SER A 10 -24.353 -6.706 -9.542 1.00 0.00 C ATOM 100 O SER A 10 -23.339 -7.353 -9.278 1.00 0.00 O ATOM 101 CB SER A 10 -25.362 -7.600 -7.435 1.00 0.00 C ATOM 102 OG SER A 10 -26.356 -7.297 -6.471 1.00 0.00 O ATOM 0 H SER A 10 -26.272 -8.562 -9.874 1.00 0.00 H new ATOM 0 HA SER A 10 -26.079 -5.914 -8.559 1.00 0.00 H new ATOM 0 HB2 SER A 10 -25.321 -8.678 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 10 -24.384 -7.295 -7.062 1.00 0.00 H new ATOM 0 HG SER A 10 -26.150 -7.760 -5.632 1.00 0.00 H new ATOM 108 N PRO A 11 -24.384 -5.795 -10.527 1.00 0.00 N ATOM 109 CA PRO A 11 -23.219 -5.497 -11.365 1.00 0.00 C ATOM 110 C PRO A 11 -22.121 -4.771 -10.596 1.00 0.00 C ATOM 111 O PRO A 11 -22.383 -4.000 -9.672 1.00 0.00 O ATOM 112 CB PRO A 11 -23.793 -4.593 -12.460 1.00 0.00 C ATOM 113 CG PRO A 11 -24.992 -3.962 -11.840 1.00 0.00 C ATOM 114 CD PRO A 11 -25.558 -4.987 -10.896 1.00 0.00 C ATOM 0 HA PRO A 11 -22.747 -6.403 -11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.068 -3.842 -12.774 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.062 -5.167 -13.347 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -24.722 -3.049 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.723 -3.685 -12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -26.015 -4.521 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.328 -5.592 -11.374 1.00 0.00 H new ATOM 122 N PRO A 12 -20.862 -5.020 -10.983 1.00 0.00 N ATOM 123 CA PRO A 12 -19.698 -4.399 -10.343 1.00 0.00 C ATOM 124 C PRO A 12 -19.599 -2.907 -10.643 1.00 0.00 C ATOM 125 O PRO A 12 -18.868 -2.494 -11.542 1.00 0.00 O ATOM 126 CB PRO A 12 -18.513 -5.148 -10.957 1.00 0.00 C ATOM 127 CG PRO A 12 -19.014 -5.636 -12.273 1.00 0.00 C ATOM 128 CD PRO A 12 -20.476 -5.928 -12.077 1.00 0.00 C ATOM 0 HA PRO A 12 -19.746 -4.468 -9.256 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.651 -4.492 -11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.196 -5.976 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.867 -4.885 -13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.476 -6.530 -12.588 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.050 -5.732 -12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -20.645 -6.972 -11.812 1.00 0.00 H new ATOM 136 N GLN A 13 -20.339 -2.105 -9.885 1.00 0.00 N ATOM 137 CA GLN A 13 -20.334 -0.659 -10.071 1.00 0.00 C ATOM 138 C GLN A 13 -18.944 -0.083 -9.819 1.00 0.00 C ATOM 139 O GLN A 13 -18.235 0.285 -10.756 1.00 0.00 O ATOM 140 CB GLN A 13 -21.349 0.001 -9.137 1.00 0.00 C ATOM 141 CG GLN A 13 -22.766 -0.522 -9.312 1.00 0.00 C ATOM 142 CD GLN A 13 -23.063 -1.712 -8.421 1.00 0.00 C ATOM 143 OE1 GLN A 13 -22.257 -2.078 -7.565 1.00 0.00 O ATOM 144 NE2 GLN A 13 -24.226 -2.323 -8.617 1.00 0.00 N ATOM 0 H GLN A 13 -20.950 -2.432 -9.136 1.00 0.00 H new ATOM 0 HA GLN A 13 -20.613 -0.450 -11.104 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -21.037 -0.157 -8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -21.344 1.077 -9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -23.474 0.277 -9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -22.919 -0.806 -10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -24.864 -1.986 -9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -24.481 -3.129 -8.047 1.00 0.00 H new ATOM 153 N ARG A 14 -18.562 -0.007 -8.549 1.00 0.00 N ATOM 154 CA ARG A 14 -17.258 0.526 -8.174 1.00 0.00 C ATOM 155 C ARG A 14 -16.586 -0.364 -7.132 1.00 0.00 C ATOM 156 O ARG A 14 -16.194 0.086 -6.055 1.00 0.00 O ATOM 157 CB ARG A 14 -17.402 1.948 -7.628 1.00 0.00 C ATOM 158 CG ARG A 14 -16.150 2.793 -7.794 1.00 0.00 C ATOM 159 CD ARG A 14 -15.995 3.287 -9.224 1.00 0.00 C ATOM 160 NE ARG A 14 -14.705 3.935 -9.443 1.00 0.00 N ATOM 161 CZ ARG A 14 -14.162 4.104 -10.643 1.00 0.00 C ATOM 162 NH1 ARG A 14 -14.794 3.675 -11.727 1.00 0.00 N ATOM 163 NH2 ARG A 14 -12.984 4.703 -10.762 1.00 0.00 N ATOM 0 H ARG A 14 -19.137 -0.308 -7.762 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.633 0.548 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.232 2.440 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.659 1.898 -6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.193 3.646 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.275 2.207 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.100 2.447 -9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.797 3.989 -9.454 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.193 4.277 -8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.700 3.214 -11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.374 3.806 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.494 5.034 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.568 4.832 -11.684 1.00 0.00 H new ATOM 177 N PRO A 15 -16.449 -1.658 -7.459 1.00 0.00 N ATOM 178 CA PRO A 15 -15.825 -2.638 -6.565 1.00 0.00 C ATOM 179 C PRO A 15 -14.323 -2.415 -6.419 1.00 0.00 C ATOM 180 O PRO A 15 -13.594 -2.371 -7.408 1.00 0.00 O ATOM 181 CB PRO A 15 -16.102 -3.975 -7.256 1.00 0.00 C ATOM 182 CG PRO A 15 -16.267 -3.630 -8.696 1.00 0.00 C ATOM 183 CD PRO A 15 -16.893 -2.263 -8.725 1.00 0.00 C ATOM 0 HA PRO A 15 -16.222 -2.576 -5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.280 -4.675 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -16.999 -4.449 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -15.306 -3.630 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -16.899 -4.360 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -16.557 -1.685 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -17.980 -2.320 -8.784 1.00 0.00 H new ATOM 191 N ASN A 16 -13.869 -2.276 -5.177 1.00 0.00 N ATOM 192 CA ASN A 16 -12.453 -2.057 -4.902 1.00 0.00 C ATOM 193 C ASN A 16 -11.976 -2.955 -3.764 1.00 0.00 C ATOM 194 O ASN A 16 -12.625 -3.052 -2.723 1.00 0.00 O ATOM 195 CB ASN A 16 -12.202 -0.590 -4.549 1.00 0.00 C ATOM 196 CG ASN A 16 -12.109 0.292 -5.779 1.00 0.00 C ATOM 197 OD1 ASN A 16 -13.112 0.565 -6.438 1.00 0.00 O ATOM 198 ND2 ASN A 16 -10.900 0.743 -6.094 1.00 0.00 N ATOM 0 H ASN A 16 -14.460 -2.311 -4.346 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.890 -2.309 -5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.007 -0.231 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.278 -0.510 -3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.776 1.341 -6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.096 0.491 -5.519 1.00 0.00 H new ATOM 205 N ARG A 17 -10.837 -3.607 -3.971 1.00 0.00 N ATOM 206 CA ARG A 17 -10.272 -4.497 -2.963 1.00 0.00 C ATOM 207 C ARG A 17 -8.797 -4.185 -2.727 1.00 0.00 C ATOM 208 O ARG A 17 -8.022 -4.045 -3.674 1.00 0.00 O ATOM 209 CB ARG A 17 -10.434 -5.956 -3.392 1.00 0.00 C ATOM 210 CG ARG A 17 -11.877 -6.432 -3.403 1.00 0.00 C ATOM 211 CD ARG A 17 -11.963 -7.950 -3.406 1.00 0.00 C ATOM 212 NE ARG A 17 -11.806 -8.505 -4.748 1.00 0.00 N ATOM 213 CZ ARG A 17 -12.242 -9.709 -5.101 1.00 0.00 C ATOM 214 NH1 ARG A 17 -12.860 -10.480 -4.216 1.00 0.00 N ATOM 215 NH2 ARG A 17 -12.061 -10.144 -6.341 1.00 0.00 N ATOM 0 H ARG A 17 -10.287 -3.536 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.813 -4.338 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.012 -6.082 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.857 -6.590 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.398 -6.039 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.385 -6.036 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.192 -8.358 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.924 -8.259 -2.996 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.336 -7.937 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.001 -10.149 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.194 -11.404 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.587 -9.554 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.396 -11.069 -6.611 1.00 0.00 H new ATOM 229 N CYS A 18 -8.416 -4.076 -1.459 1.00 0.00 N ATOM 230 CA CYS A 18 -7.035 -3.780 -1.097 1.00 0.00 C ATOM 231 C CYS A 18 -6.078 -4.778 -1.742 1.00 0.00 C ATOM 232 O CYS A 18 -6.235 -5.991 -1.596 1.00 0.00 O ATOM 233 CB CYS A 18 -6.867 -3.805 0.423 1.00 0.00 C ATOM 234 SG CYS A 18 -5.264 -3.165 1.005 1.00 0.00 S ATOM 0 H CYS A 18 -9.045 -4.188 -0.664 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.795 -2.783 -1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.666 -3.218 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.986 -4.830 0.774 1.00 0.00 H new ATOM 239 N THR A 19 -5.084 -4.259 -2.457 1.00 0.00 N ATOM 240 CA THR A 19 -4.102 -5.103 -3.126 1.00 0.00 C ATOM 241 C THR A 19 -3.115 -5.696 -2.126 1.00 0.00 C ATOM 242 O THR A 19 -2.138 -6.338 -2.510 1.00 0.00 O ATOM 243 CB THR A 19 -3.322 -4.317 -4.196 1.00 0.00 C ATOM 244 OG1 THR A 19 -4.219 -3.497 -4.953 1.00 0.00 O ATOM 245 CG2 THR A 19 -2.581 -5.263 -5.129 1.00 0.00 C ATOM 0 H THR A 19 -4.938 -3.258 -2.587 1.00 0.00 H new ATOM 0 HA THR A 19 -4.654 -5.909 -3.609 1.00 0.00 H new ATOM 0 HB THR A 19 -2.592 -3.685 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.715 -2.999 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.037 -4.685 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.878 -5.865 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.296 -5.918 -5.627 1.00 0.00 H new ATOM 253 N VAL A 20 -3.377 -5.476 -0.842 1.00 0.00 N ATOM 254 CA VAL A 20 -2.513 -5.990 0.214 1.00 0.00 C ATOM 255 C VAL A 20 -3.242 -7.020 1.069 1.00 0.00 C ATOM 256 O VAL A 20 -2.696 -8.076 1.389 1.00 0.00 O ATOM 257 CB VAL A 20 -2.000 -4.856 1.122 1.00 0.00 C ATOM 258 CG1 VAL A 20 -1.354 -5.426 2.375 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.024 -3.968 0.365 1.00 0.00 C ATOM 0 H VAL A 20 -4.181 -4.945 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.664 -6.465 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.850 -4.245 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.998 -4.610 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.087 -6.016 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.514 -6.061 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.672 -3.172 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.175 -4.564 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.525 -3.531 -0.499 1.00 0.00 H new ATOM 269 N CYS A 21 -4.481 -6.707 1.435 1.00 0.00 N ATOM 270 CA CYS A 21 -5.287 -7.605 2.253 1.00 0.00 C ATOM 271 C CYS A 21 -6.669 -7.807 1.639 1.00 0.00 C ATOM 272 O CYS A 21 -7.475 -8.589 2.142 1.00 0.00 O ATOM 273 CB CYS A 21 -5.423 -7.051 3.672 1.00 0.00 C ATOM 274 SG CYS A 21 -6.345 -5.483 3.773 1.00 0.00 S ATOM 0 H CYS A 21 -4.948 -5.838 1.178 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.783 -8.570 2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.922 -7.794 4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.427 -6.902 4.089 1.00 0.00 H new ATOM 279 N ARG A 22 -6.935 -7.095 0.548 1.00 0.00 N ATOM 280 CA ARG A 22 -8.220 -7.194 -0.134 1.00 0.00 C ATOM 281 C ARG A 22 -9.373 -7.055 0.855 1.00 0.00 C ATOM 282 O ARG A 22 -10.246 -7.920 0.934 1.00 0.00 O ATOM 283 CB ARG A 22 -8.327 -8.529 -0.874 1.00 0.00 C ATOM 284 CG ARG A 22 -7.216 -8.755 -1.886 1.00 0.00 C ATOM 285 CD ARG A 22 -7.549 -8.123 -3.229 1.00 0.00 C ATOM 286 NE ARG A 22 -6.969 -8.868 -4.343 1.00 0.00 N ATOM 287 CZ ARG A 22 -6.705 -8.329 -5.529 1.00 0.00 C ATOM 288 NH1 ARG A 22 -6.968 -7.049 -5.752 1.00 0.00 N ATOM 289 NH2 ARG A 22 -6.176 -9.071 -6.493 1.00 0.00 N ATOM 0 H ARG A 22 -6.278 -6.444 0.118 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.283 -6.380 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.314 -9.340 -0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.288 -8.575 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.285 -8.335 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.053 -9.825 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.631 -8.076 -3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.181 -7.097 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.755 -9.855 -4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.374 -6.475 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.764 -6.638 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.972 -10.056 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.974 -8.657 -7.403 1.00 0.00 H new ATOM 303 N LYS A 23 -9.370 -5.961 1.609 1.00 0.00 N ATOM 304 CA LYS A 23 -10.416 -5.706 2.593 1.00 0.00 C ATOM 305 C LYS A 23 -11.620 -5.030 1.945 1.00 0.00 C ATOM 306 O LYS A 23 -12.480 -4.481 2.634 1.00 0.00 O ATOM 307 CB LYS A 23 -9.875 -4.832 3.727 1.00 0.00 C ATOM 308 CG LYS A 23 -9.705 -3.373 3.342 1.00 0.00 C ATOM 309 CD LYS A 23 -9.948 -2.452 4.525 1.00 0.00 C ATOM 310 CE LYS A 23 -11.393 -1.980 4.576 1.00 0.00 C ATOM 311 NZ LYS A 23 -12.238 -2.871 5.419 1.00 0.00 N ATOM 0 H LYS A 23 -8.654 -5.236 1.558 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.737 -6.664 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.551 -4.898 4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.913 -5.228 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.698 -3.213 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.398 -3.125 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.702 -2.973 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.285 -1.590 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.430 -0.965 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.799 -1.944 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.073 -2.346 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.545 -3.691 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.687 -3.199 6.238 1.00 0.00 H new ATOM 325 N ARG A 24 -11.675 -5.075 0.618 1.00 0.00 N ATOM 326 CA ARG A 24 -12.774 -4.466 -0.122 1.00 0.00 C ATOM 327 C ARG A 24 -12.866 -2.972 0.172 1.00 0.00 C ATOM 328 O ARG A 24 -13.959 -2.415 0.275 1.00 0.00 O ATOM 329 CB ARG A 24 -14.096 -5.149 0.233 1.00 0.00 C ATOM 330 CG ARG A 24 -14.101 -6.645 -0.040 1.00 0.00 C ATOM 331 CD ARG A 24 -13.637 -7.434 1.174 1.00 0.00 C ATOM 332 NE ARG A 24 -13.599 -8.870 0.911 1.00 0.00 N ATOM 333 CZ ARG A 24 -14.668 -9.656 0.967 1.00 0.00 C ATOM 334 NH1 ARG A 24 -15.853 -9.148 1.274 1.00 0.00 N ATOM 335 NH2 ARG A 24 -14.553 -10.954 0.715 1.00 0.00 N ATOM 0 H ARG A 24 -10.972 -5.527 0.033 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.579 -4.598 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.311 -4.980 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.901 -4.682 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -15.106 -6.962 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.451 -6.864 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.645 -7.093 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.305 -7.236 2.012 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.702 -9.292 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.946 -8.151 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.672 -9.754 1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.643 -11.349 0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.375 -11.557 0.758 1.00 0.00 H new ATOM 349 N VAL A 25 -11.711 -2.328 0.308 1.00 0.00 N ATOM 350 CA VAL A 25 -11.661 -0.899 0.590 1.00 0.00 C ATOM 351 C VAL A 25 -12.730 -0.146 -0.194 1.00 0.00 C ATOM 352 O VAL A 25 -13.168 -0.592 -1.253 1.00 0.00 O ATOM 353 CB VAL A 25 -10.280 -0.307 0.250 1.00 0.00 C ATOM 354 CG1 VAL A 25 -9.202 -0.933 1.123 1.00 0.00 C ATOM 355 CG2 VAL A 25 -9.964 -0.504 -1.225 1.00 0.00 C ATOM 0 H VAL A 25 -10.797 -2.774 0.227 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.846 -0.781 1.658 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.303 0.764 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.233 -0.503 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.423 -0.735 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.177 -2.010 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.985 -0.080 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.959 -1.569 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.721 -0.005 -1.829 1.00 0.00 H new ATOM 365 N GLY A 26 -13.147 1.001 0.335 1.00 0.00 N ATOM 366 CA GLY A 26 -14.162 1.798 -0.329 1.00 0.00 C ATOM 367 C GLY A 26 -14.543 3.030 0.467 1.00 0.00 C ATOM 368 O GLY A 26 -14.220 4.154 0.080 1.00 0.00 O ATOM 0 H GLY A 26 -12.800 1.392 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.797 2.102 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.049 1.187 -0.494 1.00 0.00 H new ATOM 372 N LEU A 27 -15.234 2.821 1.583 1.00 0.00 N ATOM 373 CA LEU A 27 -15.662 3.924 2.436 1.00 0.00 C ATOM 374 C LEU A 27 -14.550 4.957 2.590 1.00 0.00 C ATOM 375 O LEU A 27 -14.772 6.156 2.416 1.00 0.00 O ATOM 376 CB LEU A 27 -16.081 3.400 3.810 1.00 0.00 C ATOM 377 CG LEU A 27 -17.548 2.996 3.957 1.00 0.00 C ATOM 378 CD1 LEU A 27 -17.856 1.780 3.097 1.00 0.00 C ATOM 379 CD2 LEU A 27 -17.882 2.719 5.415 1.00 0.00 C ATOM 0 H LEU A 27 -15.510 1.898 1.918 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.517 4.406 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.461 2.536 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.861 4.168 4.552 1.00 0.00 H new ATOM 0 HG LEU A 27 -18.169 3.824 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.905 1.507 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.657 2.014 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.227 0.946 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -18.930 2.433 5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.254 1.909 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.702 3.617 6.006 1.00 0.00 H new ATOM 391 N THR A 28 -13.351 4.484 2.916 1.00 0.00 N ATOM 392 CA THR A 28 -12.204 5.365 3.093 1.00 0.00 C ATOM 393 C THR A 28 -10.971 4.811 2.388 1.00 0.00 C ATOM 394 O THR A 28 -9.849 4.961 2.868 1.00 0.00 O ATOM 395 CB THR A 28 -11.879 5.572 4.584 1.00 0.00 C ATOM 396 OG1 THR A 28 -10.998 6.690 4.743 1.00 0.00 O ATOM 397 CG2 THR A 28 -11.237 4.327 5.176 1.00 0.00 C ATOM 0 H THR A 28 -13.149 3.495 3.063 1.00 0.00 H new ATOM 0 HA THR A 28 -12.472 6.325 2.651 1.00 0.00 H new ATOM 0 HB THR A 28 -12.812 5.767 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.265 6.624 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.017 4.497 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.921 3.484 5.080 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.312 4.106 4.643 1.00 0.00 H new ATOM 405 N GLY A 29 -11.188 4.169 1.244 1.00 0.00 N ATOM 406 CA GLY A 29 -10.084 3.602 0.491 1.00 0.00 C ATOM 407 C GLY A 29 -9.139 4.662 -0.039 1.00 0.00 C ATOM 408 O GLY A 29 -9.519 5.824 -0.189 1.00 0.00 O ATOM 0 H GLY A 29 -12.108 4.031 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.531 2.912 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.478 3.021 -0.343 1.00 0.00 H new ATOM 412 N PHE A 30 -7.904 4.263 -0.323 1.00 0.00 N ATOM 413 CA PHE A 30 -6.900 5.188 -0.836 1.00 0.00 C ATOM 414 C PHE A 30 -6.231 4.625 -2.087 1.00 0.00 C ATOM 415 O PHE A 30 -5.579 3.582 -2.039 1.00 0.00 O ATOM 416 CB PHE A 30 -5.846 5.475 0.234 1.00 0.00 C ATOM 417 CG PHE A 30 -6.286 6.487 1.253 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.197 6.146 2.240 1.00 0.00 C ATOM 419 CD2 PHE A 30 -5.789 7.780 1.224 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.604 7.075 3.178 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.193 8.714 2.160 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.101 8.361 3.138 1.00 0.00 C ATOM 0 H PHE A 30 -7.574 3.305 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.401 6.119 -1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.594 4.545 0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.936 5.830 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.594 5.142 2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.078 8.062 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.315 6.796 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.799 9.719 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.418 9.089 3.870 1.00 0.00 H new ATOM 432 N MET A 31 -6.398 5.323 -3.205 1.00 0.00 N ATOM 433 CA MET A 31 -5.811 4.893 -4.469 1.00 0.00 C ATOM 434 C MET A 31 -4.401 5.453 -4.630 1.00 0.00 C ATOM 435 O MET A 31 -4.220 6.604 -5.027 1.00 0.00 O ATOM 436 CB MET A 31 -6.686 5.340 -5.641 1.00 0.00 C ATOM 437 CG MET A 31 -6.219 4.807 -6.986 1.00 0.00 C ATOM 438 SD MET A 31 -7.548 4.732 -8.203 1.00 0.00 S ATOM 439 CE MET A 31 -7.377 3.048 -8.788 1.00 0.00 C ATOM 0 H MET A 31 -6.935 6.189 -3.262 1.00 0.00 H new ATOM 0 HA MET A 31 -5.753 3.805 -4.463 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.710 5.011 -5.465 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.702 6.429 -5.677 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.419 5.442 -7.366 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.798 3.811 -6.851 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.132 2.848 -9.548 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.385 2.911 -9.218 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.510 2.358 -7.955 1.00 0.00 H new ATOM 449 N CYS A 32 -3.404 4.630 -4.320 1.00 0.00 N ATOM 450 CA CYS A 32 -2.010 5.043 -4.430 1.00 0.00 C ATOM 451 C CYS A 32 -1.741 5.698 -5.781 1.00 0.00 C ATOM 452 O CYS A 32 -2.549 5.595 -6.704 1.00 0.00 O ATOM 453 CB CYS A 32 -1.084 3.839 -4.241 1.00 0.00 C ATOM 454 SG CYS A 32 0.616 4.278 -3.753 1.00 0.00 S ATOM 0 H CYS A 32 -3.536 3.674 -3.991 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.811 5.774 -3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.510 3.182 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.049 3.272 -5.171 1.00 0.00 H new ATOM 459 N ARG A 33 -0.600 6.371 -5.890 1.00 0.00 N ATOM 460 CA ARG A 33 -0.225 7.043 -7.128 1.00 0.00 C ATOM 461 C ARG A 33 0.128 6.029 -8.212 1.00 0.00 C ATOM 462 O ARG A 33 -0.274 6.174 -9.367 1.00 0.00 O ATOM 463 CB ARG A 33 0.961 7.980 -6.885 1.00 0.00 C ATOM 464 CG ARG A 33 2.205 7.268 -6.381 1.00 0.00 C ATOM 465 CD ARG A 33 3.354 8.241 -6.164 1.00 0.00 C ATOM 466 NE ARG A 33 3.937 8.689 -7.426 1.00 0.00 N ATOM 467 CZ ARG A 33 5.047 9.415 -7.506 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.689 9.774 -6.403 1.00 0.00 N ATOM 469 NH2 ARG A 33 5.516 9.784 -8.691 1.00 0.00 N ATOM 0 H ARG A 33 0.080 6.465 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.079 7.629 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.200 8.498 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.670 8.741 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.979 6.756 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.504 6.504 -7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.997 9.104 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.124 7.763 -5.558 1.00 0.00 H new ATOM 0 HE ARG A 33 3.466 8.430 -8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.331 9.493 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.541 10.331 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.024 9.510 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.368 10.341 -8.751 1.00 0.00 H new ATOM 483 N CYS A 34 0.882 5.003 -7.833 1.00 0.00 N ATOM 484 CA CYS A 34 1.291 3.965 -8.772 1.00 0.00 C ATOM 485 C CYS A 34 0.108 3.502 -9.618 1.00 0.00 C ATOM 486 O CYS A 34 0.266 3.158 -10.789 1.00 0.00 O ATOM 487 CB CYS A 34 1.891 2.776 -8.020 1.00 0.00 C ATOM 488 SG CYS A 34 0.917 2.240 -6.577 1.00 0.00 S ATOM 0 H CYS A 34 1.223 4.868 -6.881 1.00 0.00 H new ATOM 0 HA CYS A 34 2.047 4.386 -9.435 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.991 1.937 -8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.896 3.039 -7.689 1.00 0.00 H new ATOM 493 N GLY A 35 -1.077 3.496 -9.016 1.00 0.00 N ATOM 494 CA GLY A 35 -2.269 3.073 -9.728 1.00 0.00 C ATOM 495 C GLY A 35 -2.939 1.878 -9.080 1.00 0.00 C ATOM 496 O GLY A 35 -3.426 0.980 -9.768 1.00 0.00 O ATOM 0 H GLY A 35 -1.233 3.777 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.975 3.902 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.005 2.824 -10.756 1.00 0.00 H new ATOM 500 N THR A 36 -2.963 1.864 -7.751 1.00 0.00 N ATOM 501 CA THR A 36 -3.575 0.769 -7.009 1.00 0.00 C ATOM 502 C THR A 36 -4.422 1.292 -5.855 1.00 0.00 C ATOM 503 O THR A 36 -4.370 2.476 -5.519 1.00 0.00 O ATOM 504 CB THR A 36 -2.511 -0.198 -6.454 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.432 0.543 -5.874 1.00 0.00 O ATOM 506 CG2 THR A 36 -1.979 -1.105 -7.553 1.00 0.00 C ATOM 0 H THR A 36 -2.565 2.599 -7.166 1.00 0.00 H new ATOM 0 HA THR A 36 -4.214 0.231 -7.710 1.00 0.00 H new ATOM 0 HB THR A 36 -2.978 -0.818 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.145 0.107 -5.045 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.229 -1.779 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.799 -1.688 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.527 -0.499 -8.338 1.00 0.00 H new ATOM 514 N THR A 37 -5.202 0.403 -5.248 1.00 0.00 N ATOM 515 CA THR A 37 -6.060 0.775 -4.131 1.00 0.00 C ATOM 516 C THR A 37 -5.688 0.003 -2.870 1.00 0.00 C ATOM 517 O THR A 37 -5.509 -1.215 -2.906 1.00 0.00 O ATOM 518 CB THR A 37 -7.545 0.523 -4.455 1.00 0.00 C ATOM 519 OG1 THR A 37 -7.853 1.021 -5.762 1.00 0.00 O ATOM 520 CG2 THR A 37 -8.444 1.193 -3.427 1.00 0.00 C ATOM 0 H THR A 37 -5.257 -0.581 -5.512 1.00 0.00 H new ATOM 0 HA THR A 37 -5.909 1.841 -3.958 1.00 0.00 H new ATOM 0 HB THR A 37 -7.723 -0.552 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.170 0.285 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.488 1.001 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.228 0.791 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.262 2.268 -3.430 1.00 0.00 H new ATOM 528 N PHE A 38 -5.574 0.718 -1.756 1.00 0.00 N ATOM 529 CA PHE A 38 -5.223 0.099 -0.483 1.00 0.00 C ATOM 530 C PHE A 38 -6.118 0.617 0.639 1.00 0.00 C ATOM 531 O PHE A 38 -6.939 1.511 0.431 1.00 0.00 O ATOM 532 CB PHE A 38 -3.756 0.371 -0.147 1.00 0.00 C ATOM 533 CG PHE A 38 -2.805 -0.050 -1.230 1.00 0.00 C ATOM 534 CD1 PHE A 38 -2.442 -1.380 -1.374 1.00 0.00 C ATOM 535 CD2 PHE A 38 -2.273 0.884 -2.105 1.00 0.00 C ATOM 536 CE1 PHE A 38 -1.567 -1.769 -2.370 1.00 0.00 C ATOM 537 CE2 PHE A 38 -1.397 0.500 -3.103 1.00 0.00 C ATOM 538 CZ PHE A 38 -1.044 -0.829 -3.236 1.00 0.00 C ATOM 0 H PHE A 38 -5.720 1.726 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.374 -0.976 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.627 1.436 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.500 -0.152 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.848 -2.120 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.546 1.924 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.292 -2.808 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.989 1.238 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.361 -1.132 -4.015 1.00 0.00 H new ATOM 548 N CYS A 39 -5.955 0.048 1.829 1.00 0.00 N ATOM 549 CA CYS A 39 -6.747 0.450 2.984 1.00 0.00 C ATOM 550 C CYS A 39 -5.998 1.480 3.826 1.00 0.00 C ATOM 551 O CYS A 39 -4.772 1.568 3.772 1.00 0.00 O ATOM 552 CB CYS A 39 -7.094 -0.769 3.840 1.00 0.00 C ATOM 553 SG CYS A 39 -5.643 -1.657 4.492 1.00 0.00 S ATOM 0 H CYS A 39 -5.281 -0.694 2.018 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.669 0.905 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.716 -0.448 4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.692 -1.459 3.245 1.00 0.00 H new ATOM 558 N GLY A 40 -6.745 2.257 4.604 1.00 0.00 N ATOM 559 CA GLY A 40 -6.136 3.269 5.446 1.00 0.00 C ATOM 560 C GLY A 40 -4.922 2.750 6.191 1.00 0.00 C ATOM 561 O GLY A 40 -4.074 3.528 6.629 1.00 0.00 O ATOM 0 H GLY A 40 -7.762 2.203 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.845 4.121 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.872 3.631 6.164 1.00 0.00 H new ATOM 565 N SER A 41 -4.837 1.431 6.336 1.00 0.00 N ATOM 566 CA SER A 41 -3.721 0.809 7.038 1.00 0.00 C ATOM 567 C SER A 41 -2.588 0.479 6.071 1.00 0.00 C ATOM 568 O SER A 41 -1.414 0.490 6.444 1.00 0.00 O ATOM 569 CB SER A 41 -4.184 -0.462 7.752 1.00 0.00 C ATOM 570 OG SER A 41 -3.281 -0.827 8.781 1.00 0.00 O ATOM 0 H SER A 41 -5.528 0.773 5.976 1.00 0.00 H new ATOM 0 HA SER A 41 -3.349 1.517 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.177 -0.305 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.269 -1.277 7.033 1.00 0.00 H new ATOM 0 HG SER A 41 -3.600 -1.641 9.223 1.00 0.00 H new ATOM 576 N HIS A 42 -2.948 0.184 4.826 1.00 0.00 N ATOM 577 CA HIS A 42 -1.963 -0.150 3.804 1.00 0.00 C ATOM 578 C HIS A 42 -1.948 0.902 2.699 1.00 0.00 C ATOM 579 O HIS A 42 -1.592 0.612 1.556 1.00 0.00 O ATOM 580 CB HIS A 42 -2.260 -1.527 3.209 1.00 0.00 C ATOM 581 CG HIS A 42 -2.198 -2.638 4.211 1.00 0.00 C ATOM 582 ND1 HIS A 42 -2.900 -3.816 4.073 1.00 0.00 N ATOM 583 CD2 HIS A 42 -1.509 -2.746 5.372 1.00 0.00 C ATOM 584 CE1 HIS A 42 -2.648 -4.601 5.105 1.00 0.00 C ATOM 585 NE2 HIS A 42 -1.806 -3.975 5.908 1.00 0.00 N ATOM 0 H HIS A 42 -3.915 0.170 4.501 1.00 0.00 H new ATOM 0 HA HIS A 42 -0.980 -0.171 4.275 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.251 -1.512 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -1.547 -1.730 2.409 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.849 -2.004 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.060 -5.586 5.265 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.437 -4.345 6.784 1.00 0.00 H new ATOM 593 N ARG A 43 -2.338 2.124 3.047 1.00 0.00 N ATOM 594 CA ARG A 43 -2.372 3.219 2.084 1.00 0.00 C ATOM 595 C ARG A 43 -0.961 3.698 1.756 1.00 0.00 C ATOM 596 O ARG A 43 -0.709 4.222 0.671 1.00 0.00 O ATOM 597 CB ARG A 43 -3.202 4.381 2.630 1.00 0.00 C ATOM 598 CG ARG A 43 -2.530 5.127 3.771 1.00 0.00 C ATOM 599 CD ARG A 43 -3.351 6.329 4.212 1.00 0.00 C ATOM 600 NE ARG A 43 -3.053 7.517 3.416 1.00 0.00 N ATOM 601 CZ ARG A 43 -2.021 8.319 3.652 1.00 0.00 C ATOM 602 NH1 ARG A 43 -1.193 8.062 4.655 1.00 0.00 N ATOM 603 NH2 ARG A 43 -1.816 9.381 2.884 1.00 0.00 N ATOM 0 H ARG A 43 -2.635 2.381 3.988 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.834 2.850 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.407 5.081 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.164 4.000 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.389 4.452 4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.539 5.457 3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.412 6.094 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.152 6.538 5.263 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.671 7.743 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.348 7.247 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.401 8.680 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.451 9.582 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.023 9.997 3.066 1.00 0.00 H new ATOM 617 N TYR A 44 -0.045 3.514 2.700 1.00 0.00 N ATOM 618 CA TYR A 44 1.340 3.930 2.513 1.00 0.00 C ATOM 619 C TYR A 44 2.018 3.096 1.431 1.00 0.00 C ATOM 620 O TYR A 44 1.723 1.915 1.245 1.00 0.00 O ATOM 621 CB TYR A 44 2.113 3.808 3.827 1.00 0.00 C ATOM 622 CG TYR A 44 1.636 4.758 4.902 1.00 0.00 C ATOM 623 CD1 TYR A 44 1.972 6.105 4.865 1.00 0.00 C ATOM 624 CD2 TYR A 44 0.847 4.308 5.954 1.00 0.00 C ATOM 625 CE1 TYR A 44 1.539 6.977 5.845 1.00 0.00 C ATOM 626 CE2 TYR A 44 0.408 5.172 6.938 1.00 0.00 C ATOM 627 CZ TYR A 44 0.757 6.505 6.879 1.00 0.00 C ATOM 628 OH TYR A 44 0.322 7.371 7.857 1.00 0.00 O ATOM 0 H TYR A 44 -0.237 3.079 3.603 1.00 0.00 H new ATOM 0 HA TYR A 44 1.340 4.973 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.029 2.785 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.170 3.992 3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.583 6.477 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.572 3.265 6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.811 8.021 5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.205 4.806 7.749 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.219 6.881 8.511 1.00 0.00 H new ATOM 638 N PRO A 45 2.951 3.723 0.699 1.00 0.00 N ATOM 639 CA PRO A 45 3.692 3.058 -0.377 1.00 0.00 C ATOM 640 C PRO A 45 4.669 2.014 0.152 1.00 0.00 C ATOM 641 O PRO A 45 4.776 0.917 -0.396 1.00 0.00 O ATOM 642 CB PRO A 45 4.449 4.207 -1.048 1.00 0.00 C ATOM 643 CG PRO A 45 4.589 5.241 0.014 1.00 0.00 C ATOM 644 CD PRO A 45 3.354 5.129 0.866 1.00 0.00 C ATOM 0 HA PRO A 45 3.031 2.513 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.423 3.880 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.901 4.594 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.488 5.073 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.675 6.237 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.563 5.366 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.573 5.813 0.534 1.00 0.00 H new ATOM 652 N GLU A 46 5.379 2.362 1.221 1.00 0.00 N ATOM 653 CA GLU A 46 6.348 1.453 1.822 1.00 0.00 C ATOM 654 C GLU A 46 5.678 0.151 2.253 1.00 0.00 C ATOM 655 O GLU A 46 6.248 -0.931 2.110 1.00 0.00 O ATOM 656 CB GLU A 46 7.022 2.114 3.026 1.00 0.00 C ATOM 657 CG GLU A 46 6.091 2.318 4.209 1.00 0.00 C ATOM 658 CD GLU A 46 6.585 3.387 5.164 1.00 0.00 C ATOM 659 OE1 GLU A 46 6.440 4.584 4.842 1.00 0.00 O ATOM 660 OE2 GLU A 46 7.118 3.025 6.234 1.00 0.00 O ATOM 0 H GLU A 46 5.301 3.266 1.688 1.00 0.00 H new ATOM 0 HA GLU A 46 7.105 1.222 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.867 1.501 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.425 3.080 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.101 2.592 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.983 1.377 4.748 1.00 0.00 H new ATOM 667 N VAL A 47 4.463 0.264 2.781 1.00 0.00 N ATOM 668 CA VAL A 47 3.714 -0.903 3.232 1.00 0.00 C ATOM 669 C VAL A 47 3.554 -1.921 2.108 1.00 0.00 C ATOM 670 O VAL A 47 3.813 -3.111 2.293 1.00 0.00 O ATOM 671 CB VAL A 47 2.320 -0.508 3.754 1.00 0.00 C ATOM 672 CG1 VAL A 47 1.531 -1.744 4.159 1.00 0.00 C ATOM 673 CG2 VAL A 47 2.443 0.462 4.919 1.00 0.00 C ATOM 0 H VAL A 47 3.977 1.152 2.907 1.00 0.00 H new ATOM 0 HA VAL A 47 4.285 -1.351 4.046 1.00 0.00 H new ATOM 0 HB VAL A 47 1.778 -0.008 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.549 -1.445 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.412 -2.399 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.066 -2.275 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.449 0.731 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.003 -0.009 5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.966 1.360 4.591 1.00 0.00 H new ATOM 683 N HIS A 48 3.126 -1.446 0.943 1.00 0.00 N ATOM 684 CA HIS A 48 2.933 -2.316 -0.212 1.00 0.00 C ATOM 685 C HIS A 48 4.078 -2.159 -1.208 1.00 0.00 C ATOM 686 O HIS A 48 3.889 -2.304 -2.415 1.00 0.00 O ATOM 687 CB HIS A 48 1.601 -2.002 -0.895 1.00 0.00 C ATOM 688 CG HIS A 48 1.562 -0.651 -1.540 1.00 0.00 C ATOM 689 ND1 HIS A 48 0.938 0.438 -0.969 1.00 0.00 N ATOM 690 CD2 HIS A 48 2.076 -0.215 -2.714 1.00 0.00 C ATOM 691 CE1 HIS A 48 1.068 1.485 -1.764 1.00 0.00 C ATOM 692 NE2 HIS A 48 1.755 1.115 -2.830 1.00 0.00 N ATOM 0 H HIS A 48 2.906 -0.464 0.774 1.00 0.00 H new ATOM 0 HA HIS A 48 2.919 -3.348 0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.402 -2.762 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.800 -2.067 -0.158 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.452 0.436 -0.072 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.635 -0.804 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.679 2.475 -1.575 1.00 0.00 H new ATOM 700 N GLY A 49 5.267 -1.861 -0.693 1.00 0.00 N ATOM 701 CA GLY A 49 6.425 -1.689 -1.551 1.00 0.00 C ATOM 702 C GLY A 49 6.072 -1.047 -2.879 1.00 0.00 C ATOM 703 O GLY A 49 6.108 -1.701 -3.922 1.00 0.00 O ATOM 0 H GLY A 49 5.449 -1.736 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.165 -1.074 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.887 -2.660 -1.731 1.00 0.00 H new ATOM 707 N CYS A 50 5.730 0.236 -2.841 1.00 0.00 N ATOM 708 CA CYS A 50 5.367 0.967 -4.050 1.00 0.00 C ATOM 709 C CYS A 50 6.410 0.760 -5.144 1.00 0.00 C ATOM 710 O CYS A 50 7.579 1.113 -4.978 1.00 0.00 O ATOM 711 CB CYS A 50 5.220 2.458 -3.744 1.00 0.00 C ATOM 712 SG CYS A 50 4.244 3.378 -4.977 1.00 0.00 S ATOM 0 H CYS A 50 5.696 0.792 -1.986 1.00 0.00 H new ATOM 0 HA CYS A 50 4.412 0.581 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.752 2.573 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.212 2.904 -3.676 1.00 0.00 H new ATOM 717 N THR A 51 5.980 0.187 -6.264 1.00 0.00 N ATOM 718 CA THR A 51 6.876 -0.067 -7.385 1.00 0.00 C ATOM 719 C THR A 51 6.529 0.818 -8.577 1.00 0.00 C ATOM 720 O THR A 51 6.546 0.368 -9.723 1.00 0.00 O ATOM 721 CB THR A 51 6.822 -1.543 -7.823 1.00 0.00 C ATOM 722 OG1 THR A 51 5.462 -1.952 -8.000 1.00 0.00 O ATOM 723 CG2 THR A 51 7.498 -2.437 -6.795 1.00 0.00 C ATOM 0 H THR A 51 5.016 -0.110 -6.419 1.00 0.00 H new ATOM 0 HA THR A 51 7.884 0.167 -7.044 1.00 0.00 H new ATOM 0 HB THR A 51 7.354 -1.639 -8.769 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.437 -2.891 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.448 -3.474 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.541 -2.141 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.990 -2.337 -5.836 1.00 0.00 H new ATOM 731 N PHE A 52 6.217 2.080 -8.300 1.00 0.00 N ATOM 732 CA PHE A 52 5.866 3.029 -9.350 1.00 0.00 C ATOM 733 C PHE A 52 6.678 2.765 -10.615 1.00 0.00 C ATOM 734 O PHE A 52 7.887 2.998 -10.649 1.00 0.00 O ATOM 735 CB PHE A 52 6.099 4.463 -8.870 1.00 0.00 C ATOM 736 CG PHE A 52 5.559 5.504 -9.808 1.00 0.00 C ATOM 737 CD1 PHE A 52 6.247 5.839 -10.963 1.00 0.00 C ATOM 738 CD2 PHE A 52 4.363 6.149 -9.534 1.00 0.00 C ATOM 739 CE1 PHE A 52 5.752 6.797 -11.828 1.00 0.00 C ATOM 740 CE2 PHE A 52 3.864 7.107 -10.395 1.00 0.00 C ATOM 741 CZ PHE A 52 4.559 7.432 -11.543 1.00 0.00 C ATOM 0 H PHE A 52 6.200 2.469 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 52 4.809 2.899 -9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.634 4.590 -7.892 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.169 4.624 -8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.181 5.346 -11.190 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.815 5.900 -8.637 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.297 7.049 -12.726 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.931 7.602 -10.170 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.170 8.181 -12.217 1.00 0.00 H new ATOM 751 N ASP A 53 6.006 2.278 -11.652 1.00 0.00 N ATOM 752 CA ASP A 53 6.664 1.982 -12.919 1.00 0.00 C ATOM 753 C ASP A 53 6.683 3.212 -13.821 1.00 0.00 C ATOM 754 O ASP A 53 5.655 3.607 -14.372 1.00 0.00 O ATOM 755 CB ASP A 53 5.957 0.826 -13.628 1.00 0.00 C ATOM 756 CG ASP A 53 6.495 -0.527 -13.205 1.00 0.00 C ATOM 757 OD1 ASP A 53 7.715 -0.752 -13.349 1.00 0.00 O ATOM 758 OD2 ASP A 53 5.695 -1.363 -12.732 1.00 0.00 O ATOM 0 H ASP A 53 5.006 2.080 -11.640 1.00 0.00 H new ATOM 0 HA ASP A 53 7.693 1.693 -12.707 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.889 0.872 -13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.073 0.939 -14.706 1.00 0.00 H new ATOM 763 N PHE A 54 7.858 3.815 -13.967 1.00 0.00 N ATOM 764 CA PHE A 54 8.011 5.002 -14.800 1.00 0.00 C ATOM 765 C PHE A 54 8.701 4.656 -16.117 1.00 0.00 C ATOM 766 O PHE A 54 9.269 3.575 -16.269 1.00 0.00 O ATOM 767 CB PHE A 54 8.813 6.073 -14.057 1.00 0.00 C ATOM 768 CG PHE A 54 10.069 5.549 -13.422 1.00 0.00 C ATOM 769 CD1 PHE A 54 10.012 4.811 -12.250 1.00 0.00 C ATOM 770 CD2 PHE A 54 11.306 5.793 -13.996 1.00 0.00 C ATOM 771 CE1 PHE A 54 11.166 4.328 -11.663 1.00 0.00 C ATOM 772 CE2 PHE A 54 12.463 5.313 -13.414 1.00 0.00 C ATOM 773 CZ PHE A 54 12.393 4.578 -12.246 1.00 0.00 C ATOM 0 H PHE A 54 8.719 3.501 -13.519 1.00 0.00 H new ATOM 0 HA PHE A 54 7.017 5.391 -15.021 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.073 6.870 -14.754 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.184 6.517 -13.286 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.055 4.611 -11.791 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.366 6.366 -14.910 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.109 3.755 -10.749 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.421 5.512 -13.871 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.296 4.200 -11.790 1.00 0.00 H new ATOM 783 N LYS A 55 8.646 5.583 -17.067 1.00 0.00 N ATOM 784 CA LYS A 55 9.265 5.380 -18.372 1.00 0.00 C ATOM 785 C LYS A 55 9.085 3.940 -18.841 1.00 0.00 C ATOM 786 O LYS A 55 9.983 3.359 -19.450 1.00 0.00 O ATOM 787 CB LYS A 55 10.754 5.726 -18.312 1.00 0.00 C ATOM 788 CG LYS A 55 11.558 4.801 -17.414 1.00 0.00 C ATOM 789 CD LYS A 55 13.015 5.226 -17.338 1.00 0.00 C ATOM 790 CE LYS A 55 13.929 4.037 -17.084 1.00 0.00 C ATOM 791 NZ LYS A 55 13.821 3.543 -15.683 1.00 0.00 N ATOM 0 H LYS A 55 8.179 6.483 -16.958 1.00 0.00 H new ATOM 0 HA LYS A 55 8.774 6.040 -19.087 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.168 5.690 -19.320 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.866 6.751 -17.958 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.126 4.798 -16.413 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.495 3.780 -17.791 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.302 5.715 -18.269 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.140 5.959 -16.541 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.677 3.231 -17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.961 4.322 -17.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.772 3.464 -15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.253 4.210 -15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.363 2.609 -15.678 1.00 0.00 H new ATOM 805 N SER A 56 7.918 3.370 -18.554 1.00 0.00 N ATOM 806 CA SER A 56 7.622 1.997 -18.945 1.00 0.00 C ATOM 807 C SER A 56 6.443 1.949 -19.912 1.00 0.00 C ATOM 808 O SER A 56 5.568 1.092 -19.799 1.00 0.00 O ATOM 809 CB SER A 56 7.318 1.147 -17.709 1.00 0.00 C ATOM 810 OG SER A 56 8.511 0.756 -17.052 1.00 0.00 O ATOM 0 H SER A 56 7.163 3.838 -18.052 1.00 0.00 H new ATOM 0 HA SER A 56 8.499 1.592 -19.449 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.689 1.712 -17.021 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.754 0.262 -18.003 1.00 0.00 H new ATOM 0 HG SER A 56 8.954 1.547 -16.680 1.00 0.00 H new ATOM 816 N ALA A 57 6.428 2.878 -20.862 1.00 0.00 N ATOM 817 CA ALA A 57 5.359 2.942 -21.851 1.00 0.00 C ATOM 818 C ALA A 57 5.765 3.799 -23.045 1.00 0.00 C ATOM 819 O ALA A 57 6.129 4.964 -22.890 1.00 0.00 O ATOM 820 CB ALA A 57 4.086 3.486 -21.217 1.00 0.00 C ATOM 0 H ALA A 57 7.144 3.597 -20.968 1.00 0.00 H new ATOM 0 HA ALA A 57 5.170 1.931 -22.211 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.296 3.529 -21.967 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.778 2.832 -20.401 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.272 4.487 -20.829 1.00 0.00 H new ATOM 826 N GLY A 58 5.702 3.213 -24.237 1.00 0.00 N ATOM 827 CA GLY A 58 6.067 3.938 -25.440 1.00 0.00 C ATOM 828 C GLY A 58 4.951 3.960 -26.465 1.00 0.00 C ATOM 829 O GLY A 58 5.150 3.574 -27.617 1.00 0.00 O ATOM 0 H GLY A 58 5.405 2.249 -24.391 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.334 4.961 -25.177 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.953 3.481 -25.881 1.00 0.00 H new ATOM 833 N SER A 59 3.773 4.411 -26.046 1.00 0.00 N ATOM 834 CA SER A 59 2.619 4.477 -26.935 1.00 0.00 C ATOM 835 C SER A 59 1.648 5.564 -26.485 1.00 0.00 C ATOM 836 O SER A 59 1.728 6.057 -25.361 1.00 0.00 O ATOM 837 CB SER A 59 1.905 3.124 -26.978 1.00 0.00 C ATOM 838 OG SER A 59 1.088 2.943 -25.834 1.00 0.00 O ATOM 0 H SER A 59 3.593 4.736 -25.096 1.00 0.00 H new ATOM 0 HA SER A 59 2.975 4.724 -27.935 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.295 3.060 -27.879 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.641 2.322 -27.034 1.00 0.00 H new ATOM 0 HG SER A 59 0.641 2.072 -25.886 1.00 0.00 H new ATOM 844 N GLY A 60 0.730 5.933 -27.373 1.00 0.00 N ATOM 845 CA GLY A 60 -0.244 6.959 -27.051 1.00 0.00 C ATOM 846 C GLY A 60 0.382 8.335 -26.930 1.00 0.00 C ATOM 847 O GLY A 60 1.576 8.476 -26.666 1.00 0.00 O ATOM 0 H GLY A 60 0.644 5.539 -28.310 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.014 6.980 -27.822 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.739 6.705 -26.114 1.00 0.00 H new ATOM 851 N PRO A 61 -0.436 9.380 -27.127 1.00 0.00 N ATOM 852 CA PRO A 61 0.023 10.770 -27.044 1.00 0.00 C ATOM 853 C PRO A 61 0.368 11.183 -25.617 1.00 0.00 C ATOM 854 O PRO A 61 -0.387 10.914 -24.684 1.00 0.00 O ATOM 855 CB PRO A 61 -1.176 11.570 -27.557 1.00 0.00 C ATOM 856 CG PRO A 61 -2.355 10.700 -27.288 1.00 0.00 C ATOM 857 CD PRO A 61 -1.870 9.286 -27.444 1.00 0.00 C ATOM 0 HA PRO A 61 0.937 10.932 -27.615 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.264 12.526 -27.041 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.080 11.789 -28.620 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.745 10.870 -26.284 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.165 10.914 -27.985 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.388 8.607 -26.767 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.034 8.914 -28.455 1.00 0.00 H new ATOM 865 N SER A 62 1.514 11.837 -25.456 1.00 0.00 N ATOM 866 CA SER A 62 1.960 12.285 -24.142 1.00 0.00 C ATOM 867 C SER A 62 1.067 13.405 -23.617 1.00 0.00 C ATOM 868 O SER A 62 0.187 13.895 -24.325 1.00 0.00 O ATOM 869 CB SER A 62 3.412 12.763 -24.209 1.00 0.00 C ATOM 870 OG SER A 62 4.310 11.667 -24.224 1.00 0.00 O ATOM 0 H SER A 62 2.150 12.068 -26.219 1.00 0.00 H new ATOM 0 HA SER A 62 1.894 11.441 -23.456 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.558 13.369 -25.103 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.628 13.402 -23.353 1.00 0.00 H new ATOM 0 HG SER A 62 5.231 11.999 -24.269 1.00 0.00 H new ATOM 876 N SER A 63 1.301 13.805 -22.372 1.00 0.00 N ATOM 877 CA SER A 63 0.517 14.865 -21.749 1.00 0.00 C ATOM 878 C SER A 63 1.088 15.233 -20.383 1.00 0.00 C ATOM 879 O SER A 63 1.954 14.539 -19.852 1.00 0.00 O ATOM 880 CB SER A 63 -0.943 14.430 -21.603 1.00 0.00 C ATOM 881 OG SER A 63 -1.764 15.518 -21.217 1.00 0.00 O ATOM 0 H SER A 63 2.028 13.411 -21.774 1.00 0.00 H new ATOM 0 HA SER A 63 0.565 15.744 -22.392 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.299 14.019 -22.548 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.016 13.634 -20.861 1.00 0.00 H new ATOM 0 HG SER A 63 -2.692 15.214 -21.132 1.00 0.00 H new ATOM 887 N GLY A 64 0.596 16.333 -19.820 1.00 0.00 N ATOM 888 CA GLY A 64 1.069 16.775 -18.521 1.00 0.00 C ATOM 889 C GLY A 64 -0.016 17.456 -17.710 1.00 0.00 C ATOM 890 O GLY A 64 -1.138 16.953 -17.669 1.00 0.00 O ATOM 0 H GLY A 64 -0.121 16.925 -20.240 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.450 15.918 -17.965 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.903 17.463 -18.656 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 -5.085 -3.578 3.299 1.00 0.00 ZN HETATM 896 ZN ZN A 401 2.066 2.648 -4.582 1.00 0.00 ZN