USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 563 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 159:sc= 0.0442 USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= -0.647 F(o=-2.5!,f=-0.6) USER MOD Set 2.1: A 16 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 37 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0933 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.634 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0254 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 134:sc= -1.24 (180deg=-3.48!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 29 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0308 (180deg=-0.272) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= -0.271 (180deg=-0.295) USER MOD Single : A 46 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.0081) USER MOD Single : A 49 SER OG : rot 180:sc= -0.222 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0353) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0159 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.379 F(o=-1,f=-0.38) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.084 6.685 -45.473 1.00 0.00 N ATOM 2 CA GLY A 1 -4.976 6.152 -44.128 1.00 0.00 C ATOM 3 C GLY A 1 -6.172 5.304 -43.743 1.00 0.00 C ATOM 4 O GLY A 1 -7.080 5.098 -44.547 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.295 6.332 -46.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.985 6.382 -45.895 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.050 7.724 -45.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.069 5.552 -44.050 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.876 6.976 -43.421 1.00 0.00 H new ATOM 8 N SER A 2 -6.172 4.810 -42.509 1.00 0.00 N ATOM 9 CA SER A 2 -7.263 3.975 -42.020 1.00 0.00 C ATOM 10 C SER A 2 -7.360 4.043 -40.499 1.00 0.00 C ATOM 11 O SER A 2 -6.412 4.444 -39.823 1.00 0.00 O ATOM 12 CB SER A 2 -7.063 2.525 -42.465 1.00 0.00 C ATOM 13 OG SER A 2 -7.401 2.360 -43.831 1.00 0.00 O ATOM 0 H SER A 2 -5.429 4.973 -41.830 1.00 0.00 H new ATOM 0 HA SER A 2 -8.194 4.352 -42.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.025 2.232 -42.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.678 1.865 -41.853 1.00 0.00 H new ATOM 0 HG SER A 2 -7.462 3.238 -44.261 1.00 0.00 H new ATOM 19 N SER A 3 -8.512 3.648 -39.967 1.00 0.00 N ATOM 20 CA SER A 3 -8.735 3.667 -38.526 1.00 0.00 C ATOM 21 C SER A 3 -8.690 2.255 -37.950 1.00 0.00 C ATOM 22 O SER A 3 -8.091 2.019 -36.902 1.00 0.00 O ATOM 23 CB SER A 3 -10.083 4.318 -38.206 1.00 0.00 C ATOM 24 OG SER A 3 -11.155 3.557 -38.735 1.00 0.00 O ATOM 0 H SER A 3 -9.305 3.311 -40.512 1.00 0.00 H new ATOM 0 HA SER A 3 -7.938 4.253 -38.068 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.198 4.412 -37.126 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.110 5.327 -38.619 1.00 0.00 H new ATOM 0 HG SER A 3 -12.005 3.993 -38.516 1.00 0.00 H new ATOM 30 N GLY A 4 -9.329 1.318 -38.645 1.00 0.00 N ATOM 31 CA GLY A 4 -9.350 -0.059 -38.189 1.00 0.00 C ATOM 32 C GLY A 4 -9.746 -0.181 -36.731 1.00 0.00 C ATOM 33 O GLY A 4 -8.911 -0.026 -35.839 1.00 0.00 O ATOM 0 H GLY A 4 -9.832 1.489 -39.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.048 -0.630 -38.801 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.364 -0.501 -38.333 1.00 0.00 H new ATOM 37 N SER A 5 -11.023 -0.457 -36.486 1.00 0.00 N ATOM 38 CA SER A 5 -11.528 -0.593 -35.126 1.00 0.00 C ATOM 39 C SER A 5 -11.436 -2.042 -34.655 1.00 0.00 C ATOM 40 O SER A 5 -12.002 -2.944 -35.272 1.00 0.00 O ATOM 41 CB SER A 5 -12.978 -0.110 -35.047 1.00 0.00 C ATOM 42 OG SER A 5 -13.533 -0.369 -33.769 1.00 0.00 O ATOM 0 H SER A 5 -11.727 -0.591 -37.212 1.00 0.00 H new ATOM 0 HA SER A 5 -10.911 0.023 -34.472 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.020 0.959 -35.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.573 -0.608 -35.813 1.00 0.00 H new ATOM 0 HG SER A 5 -14.459 -0.050 -33.744 1.00 0.00 H new ATOM 48 N SER A 6 -10.719 -2.256 -33.556 1.00 0.00 N ATOM 49 CA SER A 6 -10.549 -3.594 -33.003 1.00 0.00 C ATOM 50 C SER A 6 -10.529 -3.554 -31.478 1.00 0.00 C ATOM 51 O SER A 6 -10.021 -2.608 -30.878 1.00 0.00 O ATOM 52 CB SER A 6 -9.255 -4.223 -33.524 1.00 0.00 C ATOM 53 OG SER A 6 -8.986 -5.451 -32.870 1.00 0.00 O ATOM 0 H SER A 6 -10.247 -1.520 -33.031 1.00 0.00 H new ATOM 0 HA SER A 6 -11.396 -4.202 -33.322 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.335 -4.389 -34.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.424 -3.535 -33.369 1.00 0.00 H new ATOM 0 HG SER A 6 -8.155 -5.834 -33.222 1.00 0.00 H new ATOM 59 N GLY A 7 -11.088 -4.589 -30.858 1.00 0.00 N ATOM 60 CA GLY A 7 -11.125 -4.653 -29.409 1.00 0.00 C ATOM 61 C GLY A 7 -12.386 -5.316 -28.890 1.00 0.00 C ATOM 62 O GLY A 7 -13.496 -4.887 -29.204 1.00 0.00 O ATOM 0 H GLY A 7 -11.516 -5.384 -31.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.255 -5.203 -29.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.055 -3.644 -29.002 1.00 0.00 H new ATOM 66 N LYS A 8 -12.215 -6.366 -28.094 1.00 0.00 N ATOM 67 CA LYS A 8 -13.347 -7.092 -27.530 1.00 0.00 C ATOM 68 C LYS A 8 -13.092 -7.447 -26.069 1.00 0.00 C ATOM 69 O LYS A 8 -12.179 -8.204 -25.739 1.00 0.00 O ATOM 70 CB LYS A 8 -13.617 -8.364 -28.336 1.00 0.00 C ATOM 71 CG LYS A 8 -12.453 -9.341 -28.337 1.00 0.00 C ATOM 72 CD LYS A 8 -12.408 -10.153 -29.621 1.00 0.00 C ATOM 73 CE LYS A 8 -10.988 -10.579 -29.961 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.473 -11.601 -29.009 1.00 0.00 N ATOM 0 H LYS A 8 -11.302 -6.734 -27.825 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.223 -6.445 -27.581 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.498 -8.861 -27.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.851 -8.090 -29.365 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.518 -8.794 -28.218 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.540 -10.013 -27.483 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.039 -11.036 -29.517 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.818 -9.563 -30.441 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.962 -10.981 -30.974 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.334 -9.707 -29.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.503 -11.865 -29.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.474 -11.210 -28.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.082 -12.443 -29.041 1.00 0.00 H new ATOM 88 N PRO A 9 -13.919 -6.890 -25.171 1.00 0.00 N ATOM 89 CA PRO A 9 -13.803 -7.136 -23.730 1.00 0.00 C ATOM 90 C PRO A 9 -14.194 -8.560 -23.352 1.00 0.00 C ATOM 91 O PRO A 9 -14.908 -9.235 -24.094 1.00 0.00 O ATOM 92 CB PRO A 9 -14.785 -6.132 -23.120 1.00 0.00 C ATOM 93 CG PRO A 9 -15.783 -5.875 -24.195 1.00 0.00 C ATOM 94 CD PRO A 9 -15.029 -5.978 -25.492 1.00 0.00 C ATOM 0 HA PRO A 9 -12.778 -7.020 -23.377 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.261 -6.537 -22.227 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.278 -5.214 -22.823 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.594 -6.602 -24.156 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.233 -4.889 -24.082 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.656 -6.374 -26.291 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.666 -5.005 -25.824 1.00 0.00 H new ATOM 102 N ILE A 10 -13.723 -9.010 -22.194 1.00 0.00 N ATOM 103 CA ILE A 10 -14.025 -10.354 -21.718 1.00 0.00 C ATOM 104 C ILE A 10 -14.506 -10.330 -20.271 1.00 0.00 C ATOM 105 O ILE A 10 -14.329 -9.338 -19.563 1.00 0.00 O ATOM 106 CB ILE A 10 -12.798 -11.279 -21.824 1.00 0.00 C ATOM 107 CG1 ILE A 10 -11.812 -10.985 -20.691 1.00 0.00 C ATOM 108 CG2 ILE A 10 -12.124 -11.111 -23.177 1.00 0.00 C ATOM 109 CD1 ILE A 10 -11.228 -9.591 -20.745 1.00 0.00 C ATOM 0 H ILE A 10 -13.131 -8.464 -21.568 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.819 -10.743 -22.356 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.131 -12.313 -21.732 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.318 -11.121 -19.735 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.001 -11.712 -20.729 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.259 -11.771 -23.237 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.829 -11.364 -23.969 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.801 -10.077 -23.296 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.538 -9.453 -19.912 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.693 -9.457 -21.685 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.031 -8.857 -20.676 1.00 0.00 H new ATOM 121 N LYS A 11 -15.113 -11.429 -19.836 1.00 0.00 N ATOM 122 CA LYS A 11 -15.617 -11.536 -18.472 1.00 0.00 C ATOM 123 C LYS A 11 -14.468 -11.556 -17.468 1.00 0.00 C ATOM 124 O LYS A 11 -13.663 -12.488 -17.450 1.00 0.00 O ATOM 125 CB LYS A 11 -16.465 -12.800 -18.318 1.00 0.00 C ATOM 126 CG LYS A 11 -17.889 -12.642 -18.821 1.00 0.00 C ATOM 127 CD LYS A 11 -18.498 -13.981 -19.203 1.00 0.00 C ATOM 128 CE LYS A 11 -17.994 -14.456 -20.557 1.00 0.00 C ATOM 129 NZ LYS A 11 -18.810 -13.909 -21.676 1.00 0.00 N ATOM 0 H LYS A 11 -15.268 -12.259 -20.409 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.238 -10.663 -18.270 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.986 -13.617 -18.858 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.490 -13.085 -17.266 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.498 -12.171 -18.049 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.899 -11.977 -19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.255 -14.723 -18.442 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.584 -13.894 -19.228 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.955 -14.154 -20.684 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.015 -15.545 -20.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.434 -14.256 -22.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.797 -14.218 -21.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.769 -12.870 -21.660 1.00 0.00 H new ATOM 143 N ILE A 12 -14.401 -10.525 -16.632 1.00 0.00 N ATOM 144 CA ILE A 12 -13.353 -10.427 -15.624 1.00 0.00 C ATOM 145 C ILE A 12 -13.933 -10.064 -14.262 1.00 0.00 C ATOM 146 O ILE A 12 -14.240 -8.901 -13.996 1.00 0.00 O ATOM 147 CB ILE A 12 -12.293 -9.380 -16.014 1.00 0.00 C ATOM 148 CG1 ILE A 12 -11.732 -9.683 -17.405 1.00 0.00 C ATOM 149 CG2 ILE A 12 -11.176 -9.347 -14.982 1.00 0.00 C ATOM 150 CD1 ILE A 12 -10.826 -10.894 -17.440 1.00 0.00 C ATOM 0 H ILE A 12 -15.060 -9.746 -16.633 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.879 -11.407 -15.565 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.766 -8.398 -16.040 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.560 -9.839 -18.096 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.178 -8.815 -17.762 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.435 -8.602 -15.272 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.589 -9.088 -14.007 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.703 -10.327 -14.927 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.465 -11.049 -18.457 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.978 -10.733 -16.774 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.381 -11.773 -17.114 1.00 0.00 H new ATOM 162 N ARG A 13 -14.078 -11.065 -13.400 1.00 0.00 N ATOM 163 CA ARG A 13 -14.621 -10.851 -12.064 1.00 0.00 C ATOM 164 C ARG A 13 -13.755 -9.874 -11.276 1.00 0.00 C ATOM 165 O ARG A 13 -14.246 -8.874 -10.755 1.00 0.00 O ATOM 166 CB ARG A 13 -14.723 -12.180 -11.313 1.00 0.00 C ATOM 167 CG ARG A 13 -15.863 -12.227 -10.309 1.00 0.00 C ATOM 168 CD ARG A 13 -16.143 -13.649 -9.850 1.00 0.00 C ATOM 169 NE ARG A 13 -16.787 -14.444 -10.892 1.00 0.00 N ATOM 170 CZ ARG A 13 -16.773 -15.772 -10.917 1.00 0.00 C ATOM 171 NH1 ARG A 13 -16.153 -16.450 -9.962 1.00 0.00 N ATOM 172 NH2 ARG A 13 -17.382 -16.424 -11.899 1.00 0.00 N ATOM 0 H ARG A 13 -13.827 -12.033 -13.603 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.618 -10.423 -12.168 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.853 -12.986 -12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.784 -12.366 -10.792 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.616 -11.607 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -16.762 -11.805 -10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.208 -14.126 -9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.780 -13.626 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.274 -13.953 -11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.685 -15.952 -9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.144 -17.470 -9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.861 -15.905 -12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.371 -17.444 -11.918 1.00 0.00 H new ATOM 186 N GLY A 14 -12.462 -10.172 -11.192 1.00 0.00 N ATOM 187 CA GLY A 14 -11.548 -9.310 -10.465 1.00 0.00 C ATOM 188 C GLY A 14 -11.903 -9.197 -8.996 1.00 0.00 C ATOM 189 O GLY A 14 -12.220 -8.119 -8.493 1.00 0.00 O ATOM 0 H GLY A 14 -12.031 -10.995 -11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.534 -9.697 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.554 -8.317 -10.915 1.00 0.00 H new ATOM 193 N PRO A 15 -11.853 -10.331 -8.282 1.00 0.00 N ATOM 194 CA PRO A 15 -12.170 -10.381 -6.851 1.00 0.00 C ATOM 195 C PRO A 15 -11.116 -9.683 -5.999 1.00 0.00 C ATOM 196 O PRO A 15 -10.096 -9.222 -6.511 1.00 0.00 O ATOM 197 CB PRO A 15 -12.197 -11.881 -6.546 1.00 0.00 C ATOM 198 CG PRO A 15 -11.318 -12.494 -7.580 1.00 0.00 C ATOM 199 CD PRO A 15 -11.483 -11.653 -8.816 1.00 0.00 C ATOM 0 HA PRO A 15 -13.105 -9.869 -6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.829 -12.087 -5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.211 -12.278 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.279 -12.505 -7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.603 -13.529 -7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.562 -11.608 -9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.256 -12.052 -9.473 1.00 0.00 H new ATOM 207 N SER A 16 -11.368 -9.609 -4.696 1.00 0.00 N ATOM 208 CA SER A 16 -10.441 -8.964 -3.773 1.00 0.00 C ATOM 209 C SER A 16 -9.139 -9.752 -3.672 1.00 0.00 C ATOM 210 O SER A 16 -9.129 -10.904 -3.235 1.00 0.00 O ATOM 211 CB SER A 16 -11.078 -8.829 -2.389 1.00 0.00 C ATOM 212 OG SER A 16 -11.959 -7.720 -2.338 1.00 0.00 O ATOM 0 H SER A 16 -12.206 -9.988 -4.256 1.00 0.00 H new ATOM 0 HA SER A 16 -10.215 -7.970 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.623 -9.741 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.298 -8.713 -1.636 1.00 0.00 H new ATOM 0 HG SER A 16 -12.581 -7.831 -1.589 1.00 0.00 H new ATOM 218 N HIS A 17 -8.041 -9.123 -4.079 1.00 0.00 N ATOM 219 CA HIS A 17 -6.731 -9.764 -4.033 1.00 0.00 C ATOM 220 C HIS A 17 -5.905 -9.231 -2.867 1.00 0.00 C ATOM 221 O HIS A 17 -5.995 -8.054 -2.516 1.00 0.00 O ATOM 222 CB HIS A 17 -5.984 -9.539 -5.348 1.00 0.00 C ATOM 223 CG HIS A 17 -6.872 -9.566 -6.554 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.064 -8.472 -7.372 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.622 -10.563 -7.080 1.00 0.00 C ATOM 226 CE1 HIS A 17 -7.894 -8.795 -8.348 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.247 -10.058 -8.194 1.00 0.00 N ATOM 0 H HIS A 17 -8.032 -8.171 -4.444 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.882 -10.834 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.472 -8.578 -5.306 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.216 -10.305 -5.455 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.633 -7.557 -7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.712 -11.568 -6.695 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.227 -8.138 -9.138 1.00 0.00 H new ATOM 236 N CYS A 18 -5.102 -10.104 -2.269 1.00 0.00 N ATOM 237 CA CYS A 18 -4.260 -9.722 -1.142 1.00 0.00 C ATOM 238 C CYS A 18 -3.410 -8.503 -1.486 1.00 0.00 C ATOM 239 O CYS A 18 -2.747 -8.468 -2.522 1.00 0.00 O ATOM 240 CB CYS A 18 -3.358 -10.888 -0.734 1.00 0.00 C ATOM 241 SG CYS A 18 -2.374 -10.577 0.767 1.00 0.00 S ATOM 0 H CYS A 18 -5.017 -11.082 -2.546 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.910 -9.465 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.975 -11.772 -0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.682 -11.116 -1.558 1.00 0.00 H new ATOM 246 N ALA A 19 -3.435 -7.504 -0.609 1.00 0.00 N ATOM 247 CA ALA A 19 -2.665 -6.284 -0.818 1.00 0.00 C ATOM 248 C ALA A 19 -1.221 -6.462 -0.363 1.00 0.00 C ATOM 249 O ALA A 19 -0.501 -5.486 -0.155 1.00 0.00 O ATOM 250 CB ALA A 19 -3.313 -5.120 -0.084 1.00 0.00 C ATOM 0 H ALA A 19 -3.980 -7.516 0.253 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.657 -6.066 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.728 -4.215 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.325 -4.971 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.351 -5.339 0.983 1.00 0.00 H new ATOM 256 N GLY A 20 -0.803 -7.715 -0.210 1.00 0.00 N ATOM 257 CA GLY A 20 0.554 -7.997 0.221 1.00 0.00 C ATOM 258 C GLY A 20 1.302 -8.879 -0.759 1.00 0.00 C ATOM 259 O GLY A 20 2.495 -8.686 -0.995 1.00 0.00 O ATOM 0 H GLY A 20 -1.380 -8.540 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.094 -7.059 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.529 -8.483 1.196 1.00 0.00 H new ATOM 263 N CYS A 21 0.600 -9.853 -1.330 1.00 0.00 N ATOM 264 CA CYS A 21 1.205 -10.771 -2.288 1.00 0.00 C ATOM 265 C CYS A 21 0.433 -10.769 -3.605 1.00 0.00 C ATOM 266 O CYS A 21 0.811 -11.447 -4.560 1.00 0.00 O ATOM 267 CB CYS A 21 1.248 -12.187 -1.712 1.00 0.00 C ATOM 268 SG CYS A 21 -0.393 -12.899 -1.365 1.00 0.00 S ATOM 0 H CYS A 21 -0.388 -10.027 -1.146 1.00 0.00 H new ATOM 0 HA CYS A 21 2.223 -10.434 -2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.773 -12.837 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.829 -12.175 -0.790 1.00 0.00 H new ATOM 273 N LYS A 22 -0.651 -10.001 -3.647 1.00 0.00 N ATOM 274 CA LYS A 22 -1.476 -9.908 -4.846 1.00 0.00 C ATOM 275 C LYS A 22 -2.040 -11.273 -5.225 1.00 0.00 C ATOM 276 O LYS A 22 -1.888 -11.723 -6.361 1.00 0.00 O ATOM 277 CB LYS A 22 -0.660 -9.340 -6.009 1.00 0.00 C ATOM 278 CG LYS A 22 -0.543 -7.826 -5.988 1.00 0.00 C ATOM 279 CD LYS A 22 -1.832 -7.160 -6.442 1.00 0.00 C ATOM 280 CE LYS A 22 -1.986 -7.218 -7.954 1.00 0.00 C ATOM 281 NZ LYS A 22 -2.567 -8.514 -8.403 1.00 0.00 N ATOM 0 H LYS A 22 -0.978 -9.434 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.308 -9.237 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.340 -9.774 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.119 -9.647 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.296 -7.493 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.276 -7.515 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.683 -7.651 -5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.841 -6.121 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.625 -6.399 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.013 -7.074 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.319 -8.335 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.823 -9.096 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.966 -9.018 -7.585 1.00 0.00 H new ATOM 295 N GLU A 23 -2.692 -11.927 -4.268 1.00 0.00 N ATOM 296 CA GLU A 23 -3.279 -13.240 -4.505 1.00 0.00 C ATOM 297 C GLU A 23 -4.766 -13.242 -4.163 1.00 0.00 C ATOM 298 O GLU A 23 -5.172 -12.742 -3.115 1.00 0.00 O ATOM 299 CB GLU A 23 -2.553 -14.304 -3.677 1.00 0.00 C ATOM 300 CG GLU A 23 -1.213 -14.718 -4.259 1.00 0.00 C ATOM 301 CD GLU A 23 -1.355 -15.512 -5.543 1.00 0.00 C ATOM 302 OE1 GLU A 23 -2.001 -16.580 -5.511 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.820 -15.066 -6.580 1.00 0.00 O ATOM 0 H GLU A 23 -2.827 -11.569 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.167 -13.474 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.399 -13.924 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.190 -15.184 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.614 -13.828 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.671 -15.315 -3.525 1.00 0.00 H new ATOM 310 N GLU A 24 -5.572 -13.806 -5.057 1.00 0.00 N ATOM 311 CA GLU A 24 -7.014 -13.871 -4.851 1.00 0.00 C ATOM 312 C GLU A 24 -7.343 -14.517 -3.509 1.00 0.00 C ATOM 313 O GLU A 24 -6.945 -15.651 -3.240 1.00 0.00 O ATOM 314 CB GLU A 24 -7.679 -14.655 -5.984 1.00 0.00 C ATOM 315 CG GLU A 24 -9.197 -14.626 -5.935 1.00 0.00 C ATOM 316 CD GLU A 24 -9.830 -14.960 -7.272 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.335 -14.461 -8.304 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.820 -15.721 -7.287 1.00 0.00 O ATOM 0 H GLU A 24 -5.251 -14.224 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.401 -12.852 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.347 -14.249 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.342 -15.691 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.546 -15.335 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.528 -13.637 -5.617 1.00 0.00 H new ATOM 325 N ILE A 25 -8.072 -13.788 -2.670 1.00 0.00 N ATOM 326 CA ILE A 25 -8.455 -14.290 -1.356 1.00 0.00 C ATOM 327 C ILE A 25 -9.833 -14.941 -1.397 1.00 0.00 C ATOM 328 O ILE A 25 -10.766 -14.410 -2.001 1.00 0.00 O ATOM 329 CB ILE A 25 -8.462 -13.166 -0.304 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.060 -12.573 -0.150 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.969 -13.692 1.030 1.00 0.00 C ATOM 332 CD1 ILE A 25 -7.030 -11.293 0.655 1.00 0.00 C ATOM 0 H ILE A 25 -8.409 -12.848 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.712 -15.036 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.135 -12.378 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.414 -13.309 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.645 -12.380 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.968 -12.885 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.984 -14.072 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.319 -14.496 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.005 -10.930 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.650 -10.541 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.414 -11.484 1.657 1.00 0.00 H new ATOM 344 N LYS A 26 -9.956 -16.095 -0.750 1.00 0.00 N ATOM 345 CA LYS A 26 -11.221 -16.819 -0.708 1.00 0.00 C ATOM 346 C LYS A 26 -12.140 -16.247 0.366 1.00 0.00 C ATOM 347 O LYS A 26 -12.827 -16.990 1.069 1.00 0.00 O ATOM 348 CB LYS A 26 -10.973 -18.306 -0.444 1.00 0.00 C ATOM 349 CG LYS A 26 -10.456 -19.061 -1.656 1.00 0.00 C ATOM 350 CD LYS A 26 -8.951 -18.915 -1.805 1.00 0.00 C ATOM 351 CE LYS A 26 -8.353 -20.073 -2.589 1.00 0.00 C ATOM 352 NZ LYS A 26 -7.002 -19.743 -3.122 1.00 0.00 N ATOM 0 H LYS A 26 -9.194 -16.549 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.708 -16.705 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.255 -18.407 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.902 -18.767 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.713 -20.116 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.949 -18.690 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.724 -17.976 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.490 -18.866 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.285 -20.950 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.015 -20.333 -3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.629 -20.558 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.070 -18.921 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.363 -19.519 -2.333 1.00 0.00 H new ATOM 366 N HIS A 27 -12.148 -14.924 0.489 1.00 0.00 N ATOM 367 CA HIS A 27 -12.985 -14.253 1.477 1.00 0.00 C ATOM 368 C HIS A 27 -13.103 -15.089 2.747 1.00 0.00 C ATOM 369 O HIS A 27 -14.176 -15.186 3.342 1.00 0.00 O ATOM 370 CB HIS A 27 -14.375 -13.982 0.900 1.00 0.00 C ATOM 371 CG HIS A 27 -15.214 -13.084 1.756 1.00 0.00 C ATOM 372 ND1 HIS A 27 -16.494 -13.405 2.155 1.00 0.00 N ATOM 373 CD2 HIS A 27 -14.949 -11.868 2.289 1.00 0.00 C ATOM 374 CE1 HIS A 27 -16.981 -12.426 2.897 1.00 0.00 C ATOM 375 NE2 HIS A 27 -16.062 -11.481 2.994 1.00 0.00 N ATOM 0 H HIS A 27 -11.584 -14.295 -0.083 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.514 -13.303 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.268 -13.533 -0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.894 -14.931 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.033 -11.307 2.180 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.962 -12.402 3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -16.163 -10.606 3.509 1.00 0.00 H new ATOM 384 N GLY A 28 -11.992 -15.694 3.158 1.00 0.00 N ATOM 385 CA GLY A 28 -11.993 -16.515 4.354 1.00 0.00 C ATOM 386 C GLY A 28 -10.894 -16.128 5.324 1.00 0.00 C ATOM 387 O GLY A 28 -11.134 -15.394 6.282 1.00 0.00 O ATOM 0 H GLY A 28 -11.091 -15.630 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.959 -16.427 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.873 -17.561 4.073 1.00 0.00 H new ATOM 391 N GLN A 29 -9.686 -16.624 5.076 1.00 0.00 N ATOM 392 CA GLN A 29 -8.547 -16.327 5.936 1.00 0.00 C ATOM 393 C GLN A 29 -7.958 -14.959 5.607 1.00 0.00 C ATOM 394 O GLN A 29 -6.739 -14.797 5.543 1.00 0.00 O ATOM 395 CB GLN A 29 -7.474 -17.407 5.789 1.00 0.00 C ATOM 396 CG GLN A 29 -7.644 -18.570 6.753 1.00 0.00 C ATOM 397 CD GLN A 29 -8.723 -19.539 6.313 1.00 0.00 C ATOM 398 OE1 GLN A 29 -9.766 -19.658 6.958 1.00 0.00 O ATOM 399 NE2 GLN A 29 -8.479 -20.238 5.211 1.00 0.00 N ATOM 0 H GLN A 29 -9.471 -17.233 4.287 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.898 -16.312 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.491 -17.787 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.494 -16.957 5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.698 -19.103 6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.889 -18.184 7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.601 -20.107 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.169 -20.906 4.867 1.00 0.00 H new ATOM 408 N SER A 30 -8.831 -13.979 5.399 1.00 0.00 N ATOM 409 CA SER A 30 -8.397 -12.626 5.072 1.00 0.00 C ATOM 410 C SER A 30 -8.275 -11.775 6.333 1.00 0.00 C ATOM 411 O SER A 30 -8.819 -12.119 7.383 1.00 0.00 O ATOM 412 CB SER A 30 -9.379 -11.974 4.096 1.00 0.00 C ATOM 413 OG SER A 30 -10.620 -11.706 4.725 1.00 0.00 O ATOM 0 H SER A 30 -9.843 -14.096 5.451 1.00 0.00 H new ATOM 0 HA SER A 30 -7.416 -12.690 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.954 -11.046 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.536 -12.630 3.240 1.00 0.00 H new ATOM 0 HG SER A 30 -11.229 -11.288 4.081 1.00 0.00 H new ATOM 419 N LEU A 31 -7.558 -10.663 6.221 1.00 0.00 N ATOM 420 CA LEU A 31 -7.363 -9.761 7.351 1.00 0.00 C ATOM 421 C LEU A 31 -7.687 -8.322 6.961 1.00 0.00 C ATOM 422 O LEU A 31 -7.058 -7.753 6.068 1.00 0.00 O ATOM 423 CB LEU A 31 -5.923 -9.852 7.859 1.00 0.00 C ATOM 424 CG LEU A 31 -5.690 -9.394 9.300 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.302 -9.800 9.770 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.877 -7.889 9.418 1.00 0.00 C ATOM 0 H LEU A 31 -7.102 -10.364 5.359 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.042 -10.064 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.592 -10.887 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.289 -9.256 7.202 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.425 -9.882 9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.153 -9.466 10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.205 -10.885 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.551 -9.341 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.707 -7.581 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.166 -7.382 8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.892 -7.624 9.123 1.00 0.00 H new ATOM 438 N LEU A 32 -8.670 -7.738 7.637 1.00 0.00 N ATOM 439 CA LEU A 32 -9.076 -6.364 7.364 1.00 0.00 C ATOM 440 C LEU A 32 -8.056 -5.374 7.918 1.00 0.00 C ATOM 441 O LEU A 32 -7.705 -5.424 9.096 1.00 0.00 O ATOM 442 CB LEU A 32 -10.453 -6.088 7.970 1.00 0.00 C ATOM 443 CG LEU A 32 -11.654 -6.395 7.075 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.628 -5.523 5.829 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.675 -7.869 6.697 1.00 0.00 C ATOM 0 H LEU A 32 -9.201 -8.195 8.379 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.129 -6.235 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.549 -6.672 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.498 -5.037 8.256 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.564 -6.171 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.490 -5.756 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.663 -4.473 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.712 -5.715 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.537 -8.069 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.760 -8.120 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.743 -8.475 7.600 1.00 0.00 H new ATOM 457 N ALA A 33 -7.586 -4.475 7.060 1.00 0.00 N ATOM 458 CA ALA A 33 -6.610 -3.470 7.465 1.00 0.00 C ATOM 459 C ALA A 33 -6.444 -2.402 6.390 1.00 0.00 C ATOM 460 O ALA A 33 -6.150 -2.710 5.234 1.00 0.00 O ATOM 461 CB ALA A 33 -5.272 -4.127 7.770 1.00 0.00 C ATOM 0 H ALA A 33 -7.865 -4.422 6.080 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.978 -2.984 8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.553 -3.365 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.396 -4.848 8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.907 -4.639 6.880 1.00 0.00 H new ATOM 467 N LEU A 34 -6.634 -1.145 6.777 1.00 0.00 N ATOM 468 CA LEU A 34 -6.505 -0.030 5.845 1.00 0.00 C ATOM 469 C LEU A 34 -7.451 -0.199 4.660 1.00 0.00 C ATOM 470 O LEU A 34 -7.041 -0.083 3.505 1.00 0.00 O ATOM 471 CB LEU A 34 -5.063 0.082 5.349 1.00 0.00 C ATOM 472 CG LEU A 34 -4.040 0.584 6.368 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.615 -0.542 7.298 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.830 1.179 5.662 1.00 0.00 C ATOM 0 H LEU A 34 -6.878 -0.873 7.729 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.773 0.885 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.744 -0.899 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.047 0.751 4.488 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.507 1.366 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.887 -0.165 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.487 -0.922 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.167 -1.346 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.113 1.531 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.362 0.418 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.147 2.015 5.039 1.00 0.00 H new ATOM 486 N ASP A 35 -8.717 -0.471 4.954 1.00 0.00 N ATOM 487 CA ASP A 35 -9.722 -0.653 3.913 1.00 0.00 C ATOM 488 C ASP A 35 -9.230 -1.625 2.846 1.00 0.00 C ATOM 489 O ASP A 35 -9.666 -1.574 1.696 1.00 0.00 O ATOM 490 CB ASP A 35 -10.073 0.692 3.274 1.00 0.00 C ATOM 491 CG ASP A 35 -10.994 1.524 4.144 1.00 0.00 C ATOM 492 OD1 ASP A 35 -10.493 2.182 5.080 1.00 0.00 O ATOM 493 OD2 ASP A 35 -12.217 1.518 3.888 1.00 0.00 O ATOM 0 H ASP A 35 -9.072 -0.570 5.905 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.616 -1.072 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.156 1.250 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.548 0.519 2.308 1.00 0.00 H new ATOM 498 N LYS A 36 -8.318 -2.510 3.234 1.00 0.00 N ATOM 499 CA LYS A 36 -7.765 -3.494 2.312 1.00 0.00 C ATOM 500 C LYS A 36 -7.886 -4.903 2.884 1.00 0.00 C ATOM 501 O LYS A 36 -8.403 -5.093 3.985 1.00 0.00 O ATOM 502 CB LYS A 36 -6.298 -3.178 2.015 1.00 0.00 C ATOM 503 CG LYS A 36 -6.103 -2.266 0.815 1.00 0.00 C ATOM 504 CD LYS A 36 -4.825 -1.453 0.934 1.00 0.00 C ATOM 505 CE LYS A 36 -4.737 -0.392 -0.152 1.00 0.00 C ATOM 506 NZ LYS A 36 -5.780 0.658 0.012 1.00 0.00 N ATOM 0 H LYS A 36 -7.946 -2.566 4.182 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.335 -3.446 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.851 -2.711 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.762 -4.111 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.071 -2.864 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.956 -1.593 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.785 -0.977 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.963 -2.116 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.750 0.070 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.846 -0.863 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.522 1.495 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.696 0.291 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.851 0.923 1.015 1.00 0.00 H new ATOM 520 N GLN A 37 -7.405 -5.886 2.130 1.00 0.00 N ATOM 521 CA GLN A 37 -7.460 -7.278 2.563 1.00 0.00 C ATOM 522 C GLN A 37 -6.081 -7.925 2.488 1.00 0.00 C ATOM 523 O GLN A 37 -5.508 -8.064 1.408 1.00 0.00 O ATOM 524 CB GLN A 37 -8.453 -8.063 1.704 1.00 0.00 C ATOM 525 CG GLN A 37 -9.903 -7.853 2.106 1.00 0.00 C ATOM 526 CD GLN A 37 -10.849 -8.800 1.394 1.00 0.00 C ATOM 527 OE1 GLN A 37 -10.617 -10.008 1.346 1.00 0.00 O ATOM 528 NE2 GLN A 37 -11.923 -8.254 0.834 1.00 0.00 N ATOM 0 H GLN A 37 -6.973 -5.745 1.217 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.795 -7.297 3.600 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.328 -7.772 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.217 -9.125 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.001 -7.989 3.183 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.191 -6.825 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.076 -7.248 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.595 -8.841 0.340 1.00 0.00 H new ATOM 537 N TRP A 38 -5.555 -8.320 3.642 1.00 0.00 N ATOM 538 CA TRP A 38 -4.243 -8.953 3.707 1.00 0.00 C ATOM 539 C TRP A 38 -4.329 -10.316 4.384 1.00 0.00 C ATOM 540 O TRP A 38 -5.105 -10.507 5.321 1.00 0.00 O ATOM 541 CB TRP A 38 -3.258 -8.057 4.460 1.00 0.00 C ATOM 542 CG TRP A 38 -3.478 -6.594 4.215 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.581 -5.863 4.554 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.574 -5.687 3.575 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.416 -4.556 4.164 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.193 -4.422 3.562 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.300 -5.820 3.015 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.581 -3.300 3.009 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.695 -4.705 2.466 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.334 -3.459 2.467 1.00 0.00 C ATOM 0 H TRP A 38 -6.017 -8.213 4.545 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.886 -9.097 2.687 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.341 -8.256 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.242 -8.319 4.165 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.454 -6.255 5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.094 -3.807 4.301 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.798 -6.776 3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.073 -2.338 3.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.288 -4.796 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.833 -2.607 2.032 1.00 0.00 H new ATOM 561 N HIS A 39 -3.527 -11.262 3.905 1.00 0.00 N ATOM 562 CA HIS A 39 -3.512 -12.608 4.466 1.00 0.00 C ATOM 563 C HIS A 39 -3.019 -12.590 5.910 1.00 0.00 C ATOM 564 O HIS A 39 -2.551 -11.564 6.404 1.00 0.00 O ATOM 565 CB HIS A 39 -2.625 -13.525 3.623 1.00 0.00 C ATOM 566 CG HIS A 39 -3.251 -13.938 2.327 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.583 -13.894 1.121 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.491 -14.405 2.051 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.386 -14.316 0.160 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.550 -14.633 0.699 1.00 0.00 N ATOM 0 H HIS A 39 -2.879 -11.121 3.130 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.532 -12.991 4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.683 -13.016 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.385 -14.417 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.287 -14.568 2.763 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.134 -14.389 -0.888 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.361 -14.989 0.193 1.00 0.00 H new ATOM 578 N VAL A 40 -3.128 -13.732 6.581 1.00 0.00 N ATOM 579 CA VAL A 40 -2.693 -13.848 7.968 1.00 0.00 C ATOM 580 C VAL A 40 -1.174 -13.925 8.063 1.00 0.00 C ATOM 581 O VAL A 40 -0.602 -13.808 9.147 1.00 0.00 O ATOM 582 CB VAL A 40 -3.303 -15.089 8.646 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.795 -15.222 10.074 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.822 -15.020 8.616 1.00 0.00 C ATOM 0 H VAL A 40 -3.514 -14.590 6.187 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.041 -12.954 8.485 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.991 -15.974 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.237 -16.104 10.537 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.710 -15.321 10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.074 -14.335 10.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.236 -15.905 9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.156 -14.128 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.164 -14.978 7.582 1.00 0.00 H new ATOM 594 N SER A 41 -0.524 -14.122 6.920 1.00 0.00 N ATOM 595 CA SER A 41 0.930 -14.218 6.874 1.00 0.00 C ATOM 596 C SER A 41 1.512 -13.193 5.906 1.00 0.00 C ATOM 597 O SER A 41 2.657 -13.314 5.469 1.00 0.00 O ATOM 598 CB SER A 41 1.356 -15.628 6.459 1.00 0.00 C ATOM 599 OG SER A 41 0.691 -16.034 5.276 1.00 0.00 O ATOM 0 H SER A 41 -0.982 -14.218 6.014 1.00 0.00 H new ATOM 0 HA SER A 41 1.315 -14.009 7.872 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.434 -15.654 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.135 -16.330 7.263 1.00 0.00 H new ATOM 0 HG SER A 41 0.982 -16.937 5.031 1.00 0.00 H new ATOM 605 N CYS A 42 0.715 -12.183 5.574 1.00 0.00 N ATOM 606 CA CYS A 42 1.148 -11.136 4.657 1.00 0.00 C ATOM 607 C CYS A 42 1.115 -9.770 5.337 1.00 0.00 C ATOM 608 O CYS A 42 1.952 -8.908 5.065 1.00 0.00 O ATOM 609 CB CYS A 42 0.260 -11.120 3.411 1.00 0.00 C ATOM 610 SG CYS A 42 0.583 -12.485 2.250 1.00 0.00 S ATOM 0 H CYS A 42 -0.235 -12.068 5.927 1.00 0.00 H new ATOM 0 HA CYS A 42 2.175 -11.350 4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.784 -11.161 3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.401 -10.173 2.890 1.00 0.00 H new ATOM 615 N PHE A 43 0.143 -9.579 6.222 1.00 0.00 N ATOM 616 CA PHE A 43 -0.001 -8.318 6.941 1.00 0.00 C ATOM 617 C PHE A 43 1.132 -8.134 7.947 1.00 0.00 C ATOM 618 O PHE A 43 1.082 -8.660 9.059 1.00 0.00 O ATOM 619 CB PHE A 43 -1.350 -8.268 7.660 1.00 0.00 C ATOM 620 CG PHE A 43 -1.777 -6.878 8.035 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.700 -5.843 7.117 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.256 -6.605 9.307 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.093 -4.563 7.459 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.650 -5.327 9.655 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.567 -4.304 8.730 1.00 0.00 C ATOM 0 H PHE A 43 -0.557 -10.282 6.459 1.00 0.00 H new ATOM 0 HA PHE A 43 0.046 -7.506 6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.111 -8.713 7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.295 -8.879 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.328 -6.039 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.322 -7.400 10.034 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.030 -3.766 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.022 -5.128 10.649 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.872 -3.304 9.000 1.00 0.00 H new ATOM 635 N LYS A 44 2.153 -7.383 7.548 1.00 0.00 N ATOM 636 CA LYS A 44 3.298 -7.127 8.412 1.00 0.00 C ATOM 637 C LYS A 44 3.830 -5.712 8.206 1.00 0.00 C ATOM 638 O LYS A 44 3.501 -5.052 7.220 1.00 0.00 O ATOM 639 CB LYS A 44 4.408 -8.145 8.139 1.00 0.00 C ATOM 640 CG LYS A 44 4.598 -8.455 6.664 1.00 0.00 C ATOM 641 CD LYS A 44 5.918 -9.164 6.409 1.00 0.00 C ATOM 642 CE LYS A 44 5.766 -10.675 6.503 1.00 0.00 C ATOM 643 NZ LYS A 44 5.986 -11.170 7.890 1.00 0.00 N ATOM 0 H LYS A 44 2.210 -6.941 6.631 1.00 0.00 H new ATOM 0 HA LYS A 44 2.969 -7.226 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.345 -7.766 8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.181 -9.069 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.775 -9.078 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.564 -7.529 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.292 -8.896 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.660 -8.826 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.768 -10.961 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.477 -11.154 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.807 -12.194 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.968 -10.980 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.337 -10.682 8.540 1.00 0.00 H new ATOM 657 N CYS A 45 4.655 -5.253 9.141 1.00 0.00 N ATOM 658 CA CYS A 45 5.234 -3.917 9.062 1.00 0.00 C ATOM 659 C CYS A 45 5.847 -3.671 7.687 1.00 0.00 C ATOM 660 O CYS A 45 6.035 -4.602 6.905 1.00 0.00 O ATOM 661 CB CYS A 45 6.297 -3.734 10.147 1.00 0.00 C ATOM 662 SG CYS A 45 6.835 -2.009 10.377 1.00 0.00 S ATOM 0 H CYS A 45 4.938 -5.787 9.963 1.00 0.00 H new ATOM 0 HA CYS A 45 4.436 -3.192 9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.905 -4.110 11.092 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.165 -4.344 9.897 1.00 0.00 H new ATOM 667 N GLN A 46 6.157 -2.410 7.400 1.00 0.00 N ATOM 668 CA GLN A 46 6.749 -2.042 6.119 1.00 0.00 C ATOM 669 C GLN A 46 8.222 -1.685 6.283 1.00 0.00 C ATOM 670 O GLN A 46 8.981 -1.670 5.313 1.00 0.00 O ATOM 671 CB GLN A 46 5.992 -0.863 5.504 1.00 0.00 C ATOM 672 CG GLN A 46 6.606 -0.355 4.210 1.00 0.00 C ATOM 673 CD GLN A 46 6.695 -1.430 3.144 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.770 -1.705 2.611 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.561 -2.045 2.828 1.00 0.00 N ATOM 0 H GLN A 46 6.008 -1.627 8.037 1.00 0.00 H new ATOM 0 HA GLN A 46 6.674 -2.901 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.961 -1.163 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.959 -0.047 6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.012 0.477 3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.604 0.033 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.692 -1.785 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.559 -2.777 2.118 1.00 0.00 H new ATOM 684 N THR A 47 8.623 -1.398 7.518 1.00 0.00 N ATOM 685 CA THR A 47 10.006 -1.040 7.809 1.00 0.00 C ATOM 686 C THR A 47 10.799 -2.253 8.283 1.00 0.00 C ATOM 687 O THR A 47 11.941 -2.460 7.869 1.00 0.00 O ATOM 688 CB THR A 47 10.087 0.063 8.881 1.00 0.00 C ATOM 689 OG1 THR A 47 9.586 1.296 8.354 1.00 0.00 O ATOM 690 CG2 THR A 47 11.520 0.253 9.355 1.00 0.00 C ATOM 0 H THR A 47 8.009 -1.407 8.333 1.00 0.00 H new ATOM 0 HA THR A 47 10.438 -0.666 6.881 1.00 0.00 H new ATOM 0 HB THR A 47 9.477 -0.242 9.731 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.319 1.883 9.092 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.552 1.037 10.112 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.888 -0.679 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.148 0.538 8.511 1.00 0.00 H new ATOM 698 N CYS A 48 10.189 -3.052 9.151 1.00 0.00 N ATOM 699 CA CYS A 48 10.838 -4.244 9.681 1.00 0.00 C ATOM 700 C CYS A 48 10.260 -5.506 9.047 1.00 0.00 C ATOM 701 O CYS A 48 10.918 -6.545 8.995 1.00 0.00 O ATOM 702 CB CYS A 48 10.677 -4.305 11.201 1.00 0.00 C ATOM 703 SG CYS A 48 8.955 -4.507 11.760 1.00 0.00 S ATOM 0 H CYS A 48 9.245 -2.895 9.503 1.00 0.00 H new ATOM 0 HA CYS A 48 11.899 -4.188 9.436 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.272 -5.133 11.585 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.084 -3.392 11.635 1.00 0.00 H new ATOM 708 N SER A 49 9.025 -5.407 8.566 1.00 0.00 N ATOM 709 CA SER A 49 8.356 -6.540 7.938 1.00 0.00 C ATOM 710 C SER A 49 7.992 -7.599 8.974 1.00 0.00 C ATOM 711 O SER A 49 8.274 -8.784 8.794 1.00 0.00 O ATOM 712 CB SER A 49 9.250 -7.153 6.858 1.00 0.00 C ATOM 713 OG SER A 49 8.475 -7.732 5.822 1.00 0.00 O ATOM 0 H SER A 49 8.467 -4.554 8.599 1.00 0.00 H new ATOM 0 HA SER A 49 7.437 -6.177 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.902 -6.385 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.894 -7.912 7.302 1.00 0.00 H new ATOM 0 HG SER A 49 9.070 -8.115 5.144 1.00 0.00 H new ATOM 719 N VAL A 50 7.364 -7.162 10.062 1.00 0.00 N ATOM 720 CA VAL A 50 6.960 -8.071 11.128 1.00 0.00 C ATOM 721 C VAL A 50 5.449 -8.278 11.131 1.00 0.00 C ATOM 722 O VAL A 50 4.682 -7.323 11.011 1.00 0.00 O ATOM 723 CB VAL A 50 7.397 -7.546 12.508 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.534 -6.366 12.929 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.337 -8.658 13.544 1.00 0.00 C ATOM 0 H VAL A 50 7.124 -6.185 10.228 1.00 0.00 H new ATOM 0 HA VAL A 50 7.454 -9.023 10.936 1.00 0.00 H new ATOM 0 HB VAL A 50 8.429 -7.203 12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.858 -6.009 13.907 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.633 -5.563 12.198 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.491 -6.679 12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.649 -8.269 14.513 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.316 -9.034 13.615 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.002 -9.469 13.247 1.00 0.00 H new ATOM 735 N ILE A 51 5.030 -9.532 11.268 1.00 0.00 N ATOM 736 CA ILE A 51 3.611 -9.864 11.288 1.00 0.00 C ATOM 737 C ILE A 51 2.861 -9.010 12.305 1.00 0.00 C ATOM 738 O ILE A 51 3.257 -8.919 13.467 1.00 0.00 O ATOM 739 CB ILE A 51 3.386 -11.352 11.618 1.00 0.00 C ATOM 740 CG1 ILE A 51 3.995 -12.236 10.527 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.900 -11.641 11.773 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.234 -12.194 9.220 1.00 0.00 C ATOM 0 H ILE A 51 5.653 -10.334 11.367 1.00 0.00 H new ATOM 0 HA ILE A 51 3.224 -9.659 10.290 1.00 0.00 H new ATOM 0 HB ILE A 51 3.881 -11.579 12.562 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.024 -11.923 10.349 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.032 -13.265 10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.757 -12.696 12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.493 -11.033 12.581 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.384 -11.401 10.843 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.722 -12.844 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.212 -12.536 9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.219 -11.172 8.840 1.00 0.00 H new ATOM 754 N LEU A 52 1.775 -8.389 11.860 1.00 0.00 N ATOM 755 CA LEU A 52 0.966 -7.543 12.731 1.00 0.00 C ATOM 756 C LEU A 52 -0.425 -8.138 12.929 1.00 0.00 C ATOM 757 O LEU A 52 -1.293 -8.018 12.064 1.00 0.00 O ATOM 758 CB LEU A 52 0.852 -6.135 12.145 1.00 0.00 C ATOM 759 CG LEU A 52 2.172 -5.422 11.850 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.963 -4.311 10.833 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.778 -4.867 13.131 1.00 0.00 C ATOM 0 H LEU A 52 1.434 -8.455 10.901 1.00 0.00 H new ATOM 0 HA LEU A 52 1.459 -7.487 13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.279 -6.194 11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.277 -5.520 12.838 1.00 0.00 H new ATOM 0 HG LEU A 52 2.867 -6.148 11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.913 -3.815 10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.575 -4.734 9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.250 -3.586 11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.717 -4.363 12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.086 -4.156 13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.966 -5.684 13.828 1.00 0.00 H new ATOM 773 N THR A 53 -0.631 -8.778 14.076 1.00 0.00 N ATOM 774 CA THR A 53 -1.916 -9.390 14.389 1.00 0.00 C ATOM 775 C THR A 53 -2.493 -8.827 15.683 1.00 0.00 C ATOM 776 O THR A 53 -3.706 -8.684 15.823 1.00 0.00 O ATOM 777 CB THR A 53 -1.793 -10.920 14.518 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.793 -11.251 15.489 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.435 -11.549 13.180 1.00 0.00 C ATOM 0 H THR A 53 0.076 -8.886 14.803 1.00 0.00 H new ATOM 0 HA THR A 53 -2.587 -9.155 13.563 1.00 0.00 H new ATOM 0 HB THR A 53 -2.757 -11.314 14.840 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.722 -12.225 15.566 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.354 -12.630 13.296 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.212 -11.320 12.451 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.482 -11.149 12.833 1.00 0.00 H new ATOM 787 N GLY A 54 -1.613 -8.509 16.629 1.00 0.00 N ATOM 788 CA GLY A 54 -2.055 -7.965 17.899 1.00 0.00 C ATOM 789 C GLY A 54 -2.274 -6.466 17.843 1.00 0.00 C ATOM 790 O GLY A 54 -3.399 -6.004 17.657 1.00 0.00 O ATOM 0 H GLY A 54 -0.603 -8.619 16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.983 -8.454 18.197 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.314 -8.192 18.666 1.00 0.00 H new ATOM 794 N GLU A 55 -1.196 -5.705 18.007 1.00 0.00 N ATOM 795 CA GLU A 55 -1.278 -4.249 17.976 1.00 0.00 C ATOM 796 C GLU A 55 -0.367 -3.676 16.894 1.00 0.00 C ATOM 797 O GLU A 55 0.757 -4.141 16.703 1.00 0.00 O ATOM 798 CB GLU A 55 -0.899 -3.666 19.339 1.00 0.00 C ATOM 799 CG GLU A 55 0.567 -3.850 19.693 1.00 0.00 C ATOM 800 CD GLU A 55 0.825 -3.742 21.184 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.566 -2.661 21.753 1.00 0.00 O ATOM 802 OE2 GLU A 55 1.286 -4.737 21.780 1.00 0.00 O ATOM 0 H GLU A 55 -0.257 -6.072 18.162 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.307 -3.973 17.744 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.136 -2.602 19.348 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.512 -4.135 20.109 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.903 -4.825 19.340 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.160 -3.100 19.170 1.00 0.00 H new ATOM 809 N TYR A 56 -0.861 -2.664 16.189 1.00 0.00 N ATOM 810 CA TYR A 56 -0.094 -2.029 15.124 1.00 0.00 C ATOM 811 C TYR A 56 -0.637 -0.636 14.818 1.00 0.00 C ATOM 812 O TYR A 56 -1.723 -0.269 15.268 1.00 0.00 O ATOM 813 CB TYR A 56 -0.125 -2.890 13.861 1.00 0.00 C ATOM 814 CG TYR A 56 -1.348 -2.660 13.001 1.00 0.00 C ATOM 815 CD1 TYR A 56 -1.377 -1.640 12.059 1.00 0.00 C ATOM 816 CD2 TYR A 56 -2.474 -3.464 13.131 1.00 0.00 C ATOM 817 CE1 TYR A 56 -2.492 -1.426 11.272 1.00 0.00 C ATOM 818 CE2 TYR A 56 -3.593 -3.258 12.348 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.597 -2.237 11.420 1.00 0.00 C ATOM 820 OH TYR A 56 -4.709 -2.028 10.637 1.00 0.00 O ATOM 0 H TYR A 56 -1.789 -2.266 16.336 1.00 0.00 H new ATOM 0 HA TYR A 56 0.937 -1.931 15.463 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.768 -2.686 13.270 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.085 -3.941 14.147 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.513 -1.003 11.940 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.474 -4.264 13.857 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.498 -0.628 10.545 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.460 -3.892 12.461 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.398 -2.686 10.866 1.00 0.00 H new ATOM 830 N ILE A 57 0.125 0.133 14.048 1.00 0.00 N ATOM 831 CA ILE A 57 -0.280 1.484 13.680 1.00 0.00 C ATOM 832 C ILE A 57 -0.122 1.715 12.181 1.00 0.00 C ATOM 833 O ILE A 57 0.883 1.328 11.585 1.00 0.00 O ATOM 834 CB ILE A 57 0.539 2.544 14.440 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.804 2.083 15.874 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.189 3.880 14.434 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.019 2.731 16.502 1.00 0.00 C ATOM 0 H ILE A 57 1.026 -0.156 13.667 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.331 1.584 13.953 1.00 0.00 H new ATOM 0 HB ILE A 57 1.497 2.672 13.936 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.071 2.302 16.485 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.935 1.001 15.881 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.402 4.619 14.975 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.332 4.212 13.406 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.160 3.768 14.917 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.146 2.358 17.518 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.905 2.491 15.914 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.883 3.812 16.527 1.00 0.00 H new ATOM 849 N SER A 58 -1.121 2.350 11.577 1.00 0.00 N ATOM 850 CA SER A 58 -1.095 2.632 10.146 1.00 0.00 C ATOM 851 C SER A 58 -0.699 4.082 9.885 1.00 0.00 C ATOM 852 O SER A 58 -1.225 5.004 10.510 1.00 0.00 O ATOM 853 CB SER A 58 -2.463 2.345 9.523 1.00 0.00 C ATOM 854 OG SER A 58 -3.456 3.203 10.056 1.00 0.00 O ATOM 0 H SER A 58 -1.959 2.679 12.056 1.00 0.00 H new ATOM 0 HA SER A 58 -0.351 1.982 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.408 2.474 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.739 1.306 9.706 1.00 0.00 H new ATOM 0 HG SER A 58 -4.320 3.001 9.641 1.00 0.00 H new ATOM 860 N LYS A 59 0.232 4.276 8.958 1.00 0.00 N ATOM 861 CA LYS A 59 0.700 5.613 8.611 1.00 0.00 C ATOM 862 C LYS A 59 0.635 5.838 7.104 1.00 0.00 C ATOM 863 O LYS A 59 1.063 4.990 6.321 1.00 0.00 O ATOM 864 CB LYS A 59 2.134 5.818 9.106 1.00 0.00 C ATOM 865 CG LYS A 59 2.471 7.268 9.408 1.00 0.00 C ATOM 866 CD LYS A 59 2.831 8.031 8.145 1.00 0.00 C ATOM 867 CE LYS A 59 2.659 9.531 8.332 1.00 0.00 C ATOM 868 NZ LYS A 59 1.226 9.934 8.293 1.00 0.00 N ATOM 0 H LYS A 59 0.678 3.524 8.433 1.00 0.00 H new ATOM 0 HA LYS A 59 0.047 6.337 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.287 5.223 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.827 5.442 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.621 7.747 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.304 7.310 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.863 7.814 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.202 7.691 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.095 9.830 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.206 10.059 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.072 10.732 8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.972 10.221 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.632 9.131 8.583 1.00 0.00 H new ATOM 882 N ASP A 60 0.098 6.986 6.705 1.00 0.00 N ATOM 883 CA ASP A 60 -0.020 7.324 5.291 1.00 0.00 C ATOM 884 C ASP A 60 -0.524 6.129 4.487 1.00 0.00 C ATOM 885 O ASP A 60 -0.253 6.013 3.293 1.00 0.00 O ATOM 886 CB ASP A 60 1.328 7.792 4.742 1.00 0.00 C ATOM 887 CG ASP A 60 1.183 8.625 3.483 1.00 0.00 C ATOM 888 OD1 ASP A 60 1.109 8.033 2.385 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.141 9.867 3.596 1.00 0.00 O ATOM 0 H ASP A 60 -0.262 7.698 7.340 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.743 8.134 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.844 8.377 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.952 6.924 4.530 1.00 0.00 H new ATOM 894 N GLY A 61 -1.258 5.242 5.152 1.00 0.00 N ATOM 895 CA GLY A 61 -1.787 4.067 4.484 1.00 0.00 C ATOM 896 C GLY A 61 -0.790 2.926 4.441 1.00 0.00 C ATOM 897 O GLY A 61 -0.745 2.167 3.473 1.00 0.00 O ATOM 0 H GLY A 61 -1.496 5.316 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.690 3.737 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.077 4.331 3.467 1.00 0.00 H new ATOM 901 N VAL A 62 0.015 2.806 5.492 1.00 0.00 N ATOM 902 CA VAL A 62 1.017 1.750 5.571 1.00 0.00 C ATOM 903 C VAL A 62 1.097 1.171 6.979 1.00 0.00 C ATOM 904 O VAL A 62 1.182 1.896 7.971 1.00 0.00 O ATOM 905 CB VAL A 62 2.409 2.266 5.160 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.407 1.120 5.098 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.335 2.992 3.826 1.00 0.00 C ATOM 0 H VAL A 62 -0.007 3.427 6.301 1.00 0.00 H new ATOM 0 HA VAL A 62 0.708 0.968 4.878 1.00 0.00 H new ATOM 0 HB VAL A 62 2.752 2.974 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.384 1.504 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.480 0.648 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.072 0.385 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.327 3.350 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.970 2.308 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.654 3.839 3.910 1.00 0.00 H new ATOM 917 N PRO A 63 1.070 -0.166 7.071 1.00 0.00 N ATOM 918 CA PRO A 63 1.139 -0.873 8.354 1.00 0.00 C ATOM 919 C PRO A 63 2.512 -0.758 9.006 1.00 0.00 C ATOM 920 O PRO A 63 3.536 -1.001 8.366 1.00 0.00 O ATOM 921 CB PRO A 63 0.847 -2.327 7.974 1.00 0.00 C ATOM 922 CG PRO A 63 1.255 -2.435 6.545 1.00 0.00 C ATOM 923 CD PRO A 63 0.970 -1.092 5.931 1.00 0.00 C ATOM 0 HA PRO A 63 0.443 -0.461 9.084 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.409 -3.020 8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.209 -2.566 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.312 -2.687 6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.697 -3.222 6.038 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.690 -0.847 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.019 -1.061 5.474 1.00 0.00 H new ATOM 931 N TYR A 64 2.528 -0.388 10.281 1.00 0.00 N ATOM 932 CA TYR A 64 3.777 -0.240 11.019 1.00 0.00 C ATOM 933 C TYR A 64 3.626 -0.741 12.452 1.00 0.00 C ATOM 934 O TYR A 64 2.555 -0.633 13.051 1.00 0.00 O ATOM 935 CB TYR A 64 4.220 1.225 11.023 1.00 0.00 C ATOM 936 CG TYR A 64 4.693 1.718 9.675 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.839 1.199 9.086 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.993 2.703 8.989 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.275 1.647 7.854 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.421 3.157 7.757 1.00 0.00 C ATOM 941 CZ TYR A 64 5.563 2.626 7.194 1.00 0.00 C ATOM 942 OH TYR A 64 5.994 3.075 5.966 1.00 0.00 O ATOM 0 H TYR A 64 1.690 -0.185 10.826 1.00 0.00 H new ATOM 0 HA TYR A 64 4.537 -0.842 10.521 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.389 1.846 11.356 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.023 1.351 11.749 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.399 0.432 9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.099 3.121 9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.168 1.233 7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.865 3.923 7.237 1.00 0.00 H new ATOM 0 HH TYR A 64 5.380 3.764 5.636 1.00 0.00 H new ATOM 952 N CYS A 65 4.707 -1.290 12.996 1.00 0.00 N ATOM 953 CA CYS A 65 4.698 -1.809 14.358 1.00 0.00 C ATOM 954 C CYS A 65 4.996 -0.702 15.365 1.00 0.00 C ATOM 955 O CYS A 65 5.478 0.369 14.998 1.00 0.00 O ATOM 956 CB CYS A 65 5.723 -2.936 14.504 1.00 0.00 C ATOM 957 SG CYS A 65 7.444 -2.416 14.213 1.00 0.00 S ATOM 0 H CYS A 65 5.601 -1.387 12.514 1.00 0.00 H new ATOM 0 HA CYS A 65 3.703 -2.203 14.563 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.646 -3.355 15.507 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.472 -3.734 13.805 1.00 0.00 H new ATOM 962 N GLU A 66 4.706 -0.969 16.634 1.00 0.00 N ATOM 963 CA GLU A 66 4.943 0.006 17.693 1.00 0.00 C ATOM 964 C GLU A 66 6.429 0.330 17.810 1.00 0.00 C ATOM 965 O GLU A 66 6.823 1.223 18.562 1.00 0.00 O ATOM 966 CB GLU A 66 4.417 -0.522 19.029 1.00 0.00 C ATOM 967 CG GLU A 66 2.968 -0.977 18.977 1.00 0.00 C ATOM 968 CD GLU A 66 2.274 -0.869 20.321 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.894 -1.236 21.341 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.110 -0.416 20.352 1.00 0.00 O ATOM 0 H GLU A 66 4.307 -1.851 16.954 1.00 0.00 H new ATOM 0 HA GLU A 66 4.409 0.921 17.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.040 -1.357 19.350 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.517 0.259 19.783 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.429 -0.376 18.244 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.928 -2.011 18.634 1.00 0.00 H new ATOM 977 N SER A 67 7.250 -0.401 17.063 1.00 0.00 N ATOM 978 CA SER A 67 8.693 -0.195 17.086 1.00 0.00 C ATOM 979 C SER A 67 9.105 0.872 16.077 1.00 0.00 C ATOM 980 O SER A 67 9.499 1.977 16.450 1.00 0.00 O ATOM 981 CB SER A 67 9.422 -1.506 16.787 1.00 0.00 C ATOM 982 OG SER A 67 10.752 -1.472 17.273 1.00 0.00 O ATOM 0 H SER A 67 6.940 -1.142 16.434 1.00 0.00 H new ATOM 0 HA SER A 67 8.971 0.146 18.083 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.885 -2.337 17.245 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.429 -1.685 15.712 1.00 0.00 H new ATOM 0 HG SER A 67 11.196 -2.322 17.071 1.00 0.00 H new ATOM 988 N ASP A 68 9.013 0.532 14.796 1.00 0.00 N ATOM 989 CA ASP A 68 9.375 1.460 13.730 1.00 0.00 C ATOM 990 C ASP A 68 8.538 2.733 13.810 1.00 0.00 C ATOM 991 O ASP A 68 9.075 3.836 13.917 1.00 0.00 O ATOM 992 CB ASP A 68 9.190 0.798 12.364 1.00 0.00 C ATOM 993 CG ASP A 68 10.226 -0.277 12.097 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.412 -0.048 12.411 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.849 -1.346 11.573 1.00 0.00 O ATOM 0 H ASP A 68 8.691 -0.379 14.470 1.00 0.00 H new ATOM 0 HA ASP A 68 10.424 1.728 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.193 0.360 12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.249 1.557 11.584 1.00 0.00 H new ATOM 1000 N TYR A 69 7.220 2.572 13.757 1.00 0.00 N ATOM 1001 CA TYR A 69 6.309 3.709 13.819 1.00 0.00 C ATOM 1002 C TYR A 69 6.732 4.687 14.910 1.00 0.00 C ATOM 1003 O TYR A 69 6.908 5.880 14.657 1.00 0.00 O ATOM 1004 CB TYR A 69 4.879 3.229 14.076 1.00 0.00 C ATOM 1005 CG TYR A 69 3.845 4.327 13.976 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.727 5.291 14.970 1.00 0.00 C ATOM 1007 CD2 TYR A 69 2.985 4.401 12.886 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.783 6.295 14.882 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.039 5.403 12.790 1.00 0.00 C ATOM 1010 CZ TYR A 69 1.942 6.347 13.791 1.00 0.00 C ATOM 1011 OH TYR A 69 1.001 7.347 13.700 1.00 0.00 O ATOM 0 H TYR A 69 6.759 1.666 13.671 1.00 0.00 H new ATOM 0 HA TYR A 69 6.346 4.225 12.860 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.634 2.444 13.360 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.828 2.782 15.069 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.385 5.254 15.826 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.058 3.663 12.101 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.704 7.036 15.664 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.379 5.447 11.936 1.00 0.00 H new ATOM 0 HH TYR A 69 0.490 7.241 12.870 1.00 0.00 H new ATOM 1021 N HIS A 70 6.896 4.174 16.126 1.00 0.00 N ATOM 1022 CA HIS A 70 7.300 5.001 17.257 1.00 0.00 C ATOM 1023 C HIS A 70 8.668 5.629 17.009 1.00 0.00 C ATOM 1024 O HIS A 70 9.015 6.643 17.614 1.00 0.00 O ATOM 1025 CB HIS A 70 7.333 4.169 18.539 1.00 0.00 C ATOM 1026 CG HIS A 70 5.983 3.964 19.155 1.00 0.00 C ATOM 1027 ND1 HIS A 70 4.874 3.353 18.675 1.00 0.00 N flip ATOM 1028 CD2 HIS A 70 5.654 4.417 20.415 1.00 0.00 C flip ATOM 1029 CE1 HIS A 70 3.907 3.445 19.645 1.00 0.00 C flip ATOM 1030 NE2 HIS A 70 4.403 4.091 20.685 1.00 0.00 N flip ATOM 0 H HIS A 70 6.755 3.190 16.353 1.00 0.00 H new ATOM 0 HA HIS A 70 6.568 5.800 17.371 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.775 3.197 18.320 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.983 4.659 19.264 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.316 4.955 21.078 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.904 3.053 19.570 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.905 4.302 21.550 1.00 0.00 H new ATOM 1039 N ALA A 71 9.441 5.019 16.116 1.00 0.00 N ATOM 1040 CA ALA A 71 10.770 5.519 15.788 1.00 0.00 C ATOM 1041 C ALA A 71 10.726 6.441 14.574 1.00 0.00 C ATOM 1042 O ALA A 71 11.650 7.220 14.341 1.00 0.00 O ATOM 1043 CB ALA A 71 11.723 4.360 15.538 1.00 0.00 C ATOM 0 H ALA A 71 9.169 4.178 15.607 1.00 0.00 H new ATOM 0 HA ALA A 71 11.133 6.097 16.638 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.712 4.748 15.294 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.787 3.742 16.433 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.354 3.758 14.707 1.00 0.00 H new ATOM 1049 N GLN A 72 9.647 6.346 13.804 1.00 0.00 N ATOM 1050 CA GLN A 72 9.484 7.171 12.613 1.00 0.00 C ATOM 1051 C GLN A 72 8.764 8.473 12.947 1.00 0.00 C ATOM 1052 O GLN A 72 9.293 9.562 12.725 1.00 0.00 O ATOM 1053 CB GLN A 72 8.708 6.406 11.539 1.00 0.00 C ATOM 1054 CG GLN A 72 9.599 5.663 10.557 1.00 0.00 C ATOM 1055 CD GLN A 72 8.867 4.555 9.827 1.00 0.00 C ATOM 1056 OE1 GLN A 72 8.562 3.477 10.540 1.00 0.00 O flip ATOM 1057 NE2 GLN A 72 8.578 4.666 8.635 1.00 0.00 N flip ATOM 0 H GLN A 72 8.873 5.706 13.983 1.00 0.00 H new ATOM 0 HA GLN A 72 10.476 7.413 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.041 5.692 12.023 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.080 7.106 10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.999 6.369 9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.449 5.240 11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.832 5.512 8.125 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.085 3.912 8.157 1.00 0.00 H new ATOM 1066 N PHE A 73 7.553 8.354 13.482 1.00 0.00 N ATOM 1067 CA PHE A 73 6.759 9.521 13.845 1.00 0.00 C ATOM 1068 C PHE A 73 6.484 9.546 15.346 1.00 0.00 C ATOM 1069 O PHE A 73 5.553 10.206 15.807 1.00 0.00 O ATOM 1070 CB PHE A 73 5.438 9.527 13.073 1.00 0.00 C ATOM 1071 CG PHE A 73 5.591 9.170 11.622 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.789 7.854 11.236 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.536 10.150 10.644 1.00 0.00 C ATOM 1074 CE1 PHE A 73 5.931 7.523 9.902 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.676 9.825 9.308 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.873 8.509 8.936 1.00 0.00 C ATOM 0 H PHE A 73 7.100 7.460 13.674 1.00 0.00 H new ATOM 0 HA PHE A 73 7.329 10.412 13.582 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.749 8.824 13.541 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.986 10.516 13.150 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.833 7.078 11.986 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.382 11.180 10.929 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.087 6.494 9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.631 10.599 8.556 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.981 8.252 7.893 1.00 0.00 H new ATOM 1086 N GLY A 74 7.300 8.820 16.104 1.00 0.00 N ATOM 1087 CA GLY A 74 7.128 8.771 17.544 1.00 0.00 C ATOM 1088 C GLY A 74 8.283 9.413 18.287 1.00 0.00 C ATOM 1089 O GLY A 74 8.089 10.027 19.337 1.00 0.00 O ATOM 0 H GLY A 74 8.077 8.265 15.746 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.201 9.276 17.814 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.029 7.733 17.860 1.00 0.00 H new ATOM 1093 N SER A 75 9.487 9.270 17.744 1.00 0.00 N ATOM 1094 CA SER A 75 10.678 9.836 18.367 1.00 0.00 C ATOM 1095 C SER A 75 11.884 9.720 17.438 1.00 0.00 C ATOM 1096 O SER A 75 11.982 8.785 16.645 1.00 0.00 O ATOM 1097 CB SER A 75 10.972 9.131 19.692 1.00 0.00 C ATOM 1098 OG SER A 75 11.942 9.839 20.443 1.00 0.00 O ATOM 0 H SER A 75 9.664 8.767 16.874 1.00 0.00 H new ATOM 0 HA SER A 75 10.489 10.892 18.560 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.053 9.042 20.272 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.326 8.119 19.498 1.00 0.00 H new ATOM 0 HG SER A 75 12.111 9.368 21.286 1.00 0.00 H new ATOM 1104 N GLY A 76 12.799 10.678 17.545 1.00 0.00 N ATOM 1105 CA GLY A 76 13.986 10.666 16.710 1.00 0.00 C ATOM 1106 C GLY A 76 15.067 11.596 17.224 1.00 0.00 C ATOM 1107 O GLY A 76 14.848 12.793 17.411 1.00 0.00 O ATOM 0 H GLY A 76 12.740 11.462 18.195 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.379 9.651 16.658 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.715 10.955 15.695 1.00 0.00 H new ATOM 1111 N PRO A 77 16.265 11.042 17.464 1.00 0.00 N ATOM 1112 CA PRO A 77 17.407 11.813 17.964 1.00 0.00 C ATOM 1113 C PRO A 77 17.954 12.782 16.922 1.00 0.00 C ATOM 1114 O PRO A 77 18.496 13.834 17.263 1.00 0.00 O ATOM 1115 CB PRO A 77 18.445 10.736 18.290 1.00 0.00 C ATOM 1116 CG PRO A 77 18.093 9.590 17.406 1.00 0.00 C ATOM 1117 CD PRO A 77 16.597 9.622 17.263 1.00 0.00 C ATOM 0 HA PRO A 77 17.136 12.436 18.816 1.00 0.00 H new ATOM 0 HB2 PRO A 77 19.457 11.090 18.095 1.00 0.00 H new ATOM 0 HB3 PRO A 77 18.404 10.452 19.342 1.00 0.00 H new ATOM 0 HG2 PRO A 77 18.580 9.682 16.435 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.423 8.646 17.840 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.280 9.270 16.281 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.109 8.987 18.002 1.00 0.00 H new ATOM 1125 N SER A 78 17.808 12.422 15.651 1.00 0.00 N ATOM 1126 CA SER A 78 18.291 13.259 14.559 1.00 0.00 C ATOM 1127 C SER A 78 17.747 12.771 13.219 1.00 0.00 C ATOM 1128 O SER A 78 17.945 11.617 12.840 1.00 0.00 O ATOM 1129 CB SER A 78 19.820 13.264 14.530 1.00 0.00 C ATOM 1130 OG SER A 78 20.306 13.827 13.323 1.00 0.00 O ATOM 0 H SER A 78 17.359 11.556 15.352 1.00 0.00 H new ATOM 0 HA SER A 78 17.935 14.275 14.728 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.201 13.832 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.192 12.245 14.635 1.00 0.00 H new ATOM 0 HG SER A 78 21.286 13.820 13.330 1.00 0.00 H new ATOM 1136 N SER A 79 17.061 13.659 12.508 1.00 0.00 N ATOM 1137 CA SER A 79 16.484 13.320 11.212 1.00 0.00 C ATOM 1138 C SER A 79 16.376 14.556 10.325 1.00 0.00 C ATOM 1139 O SER A 79 15.872 15.596 10.748 1.00 0.00 O ATOM 1140 CB SER A 79 15.103 12.687 11.395 1.00 0.00 C ATOM 1141 OG SER A 79 14.573 12.252 10.154 1.00 0.00 O ATOM 0 H SER A 79 16.891 14.619 12.807 1.00 0.00 H new ATOM 0 HA SER A 79 17.144 12.602 10.725 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.175 11.842 12.080 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.426 13.410 11.850 1.00 0.00 H new ATOM 0 HG SER A 79 13.691 11.850 10.298 1.00 0.00 H new ATOM 1147 N GLY A 80 16.853 14.435 9.090 1.00 0.00 N ATOM 1148 CA GLY A 80 16.801 15.549 8.161 1.00 0.00 C ATOM 1149 C GLY A 80 18.097 15.726 7.395 1.00 0.00 C ATOM 1150 O GLY A 80 18.054 16.102 6.225 1.00 0.00 O ATOM 0 H GLY A 80 17.275 13.585 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.984 15.392 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.578 16.465 8.709 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -1.105 -12.600 0.861 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.310 -2.250 12.219 1.00 0.00 ZN