USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=19 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) 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 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 65:sc= 1.62 USER MOD Single : A 23 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.17) USER MOD Single : A 31 SER OG : rot 33:sc= 1.1 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.7! C(o=-2.7!,f=-6.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.177 USER MOD Single : A 65 MET CE :methyl 155:sc= -0.077 (180deg=-0.935) USER MOD Single : A 67 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.740 -13.383 -15.573 1.00 0.00 N ATOM 2 CA GLY A 1 -30.928 -14.273 -14.442 1.00 0.00 C ATOM 3 C GLY A 1 -30.722 -15.729 -14.809 1.00 0.00 C ATOM 4 O GLY A 1 -31.680 -16.498 -14.886 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.892 -12.400 -15.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.772 -13.487 -15.939 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.421 -13.624 -16.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.232 -14.000 -13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.934 -14.141 -14.043 1.00 0.00 H new ATOM 8 N SER A 2 -29.469 -16.108 -15.037 1.00 0.00 N ATOM 9 CA SER A 2 -29.140 -17.481 -15.404 1.00 0.00 C ATOM 10 C SER A 2 -28.123 -18.073 -14.433 1.00 0.00 C ATOM 11 O SER A 2 -27.283 -17.360 -13.885 1.00 0.00 O ATOM 12 CB SER A 2 -28.591 -17.532 -16.831 1.00 0.00 C ATOM 13 OG SER A 2 -27.449 -16.705 -16.968 1.00 0.00 O ATOM 0 H SER A 2 -28.665 -15.484 -14.974 1.00 0.00 H new ATOM 0 HA SER A 2 -30.053 -18.074 -15.353 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.333 -18.559 -17.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.362 -17.212 -17.532 1.00 0.00 H new ATOM 0 HG SER A 2 -27.116 -16.757 -17.888 1.00 0.00 H new ATOM 19 N SER A 3 -28.205 -19.383 -14.226 1.00 0.00 N ATOM 20 CA SER A 3 -27.295 -20.073 -13.320 1.00 0.00 C ATOM 21 C SER A 3 -27.403 -19.507 -11.907 1.00 0.00 C ATOM 22 O SER A 3 -26.395 -19.254 -11.249 1.00 0.00 O ATOM 23 CB SER A 3 -25.855 -19.953 -13.820 1.00 0.00 C ATOM 24 OG SER A 3 -25.732 -20.445 -15.144 1.00 0.00 O ATOM 0 H SER A 3 -28.893 -19.988 -14.674 1.00 0.00 H new ATOM 0 HA SER A 3 -27.576 -21.126 -13.294 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.541 -18.910 -13.786 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.190 -20.508 -13.159 1.00 0.00 H new ATOM 0 HG SER A 3 -24.802 -20.356 -15.441 1.00 0.00 H new ATOM 30 N GLY A 4 -28.635 -19.310 -11.448 1.00 0.00 N ATOM 31 CA GLY A 4 -28.854 -18.775 -10.116 1.00 0.00 C ATOM 32 C GLY A 4 -28.778 -17.261 -10.080 1.00 0.00 C ATOM 33 O GLY A 4 -28.511 -16.622 -11.098 1.00 0.00 O ATOM 0 H GLY A 4 -29.485 -19.511 -11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.831 -19.095 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.111 -19.189 -9.435 1.00 0.00 H new ATOM 37 N SER A 5 -29.014 -16.686 -8.905 1.00 0.00 N ATOM 38 CA SER A 5 -28.975 -15.238 -8.742 1.00 0.00 C ATOM 39 C SER A 5 -27.851 -14.827 -7.796 1.00 0.00 C ATOM 40 O SER A 5 -27.602 -15.486 -6.787 1.00 0.00 O ATOM 41 CB SER A 5 -30.316 -14.728 -8.209 1.00 0.00 C ATOM 42 OG SER A 5 -30.578 -13.412 -8.664 1.00 0.00 O ATOM 0 H SER A 5 -29.234 -17.201 -8.052 1.00 0.00 H new ATOM 0 HA SER A 5 -28.786 -14.793 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.116 -15.394 -8.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.308 -14.745 -7.119 1.00 0.00 H new ATOM 0 HG SER A 5 -31.441 -13.110 -8.311 1.00 0.00 H new ATOM 48 N SER A 6 -27.173 -13.734 -8.132 1.00 0.00 N ATOM 49 CA SER A 6 -26.072 -13.236 -7.316 1.00 0.00 C ATOM 50 C SER A 6 -26.403 -11.865 -6.735 1.00 0.00 C ATOM 51 O SER A 6 -26.771 -10.943 -7.461 1.00 0.00 O ATOM 52 CB SER A 6 -24.790 -13.155 -8.147 1.00 0.00 C ATOM 53 OG SER A 6 -24.278 -14.447 -8.423 1.00 0.00 O ATOM 0 H SER A 6 -27.367 -13.176 -8.964 1.00 0.00 H new ATOM 0 HA SER A 6 -25.919 -13.933 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.992 -12.633 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.042 -12.571 -7.611 1.00 0.00 H new ATOM 0 HG SER A 6 -23.460 -14.368 -8.957 1.00 0.00 H new ATOM 59 N GLY A 7 -26.268 -11.739 -5.418 1.00 0.00 N ATOM 60 CA GLY A 7 -26.557 -10.478 -4.761 1.00 0.00 C ATOM 61 C GLY A 7 -25.307 -9.659 -4.503 1.00 0.00 C ATOM 62 O GLY A 7 -25.181 -8.535 -4.990 1.00 0.00 O ATOM 0 H GLY A 7 -25.964 -12.487 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.246 -9.900 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.062 -10.672 -3.815 1.00 0.00 H new ATOM 66 N LEU A 8 -24.381 -10.222 -3.735 1.00 0.00 N ATOM 67 CA LEU A 8 -23.135 -9.536 -3.411 1.00 0.00 C ATOM 68 C LEU A 8 -23.400 -8.297 -2.561 1.00 0.00 C ATOM 69 O LEU A 8 -22.875 -7.218 -2.837 1.00 0.00 O ATOM 70 CB LEU A 8 -22.400 -9.140 -4.693 1.00 0.00 C ATOM 71 CG LEU A 8 -22.212 -10.249 -5.729 1.00 0.00 C ATOM 72 CD1 LEU A 8 -22.130 -9.663 -7.130 1.00 0.00 C ATOM 73 CD2 LEU A 8 -20.967 -11.065 -5.416 1.00 0.00 C ATOM 0 H LEU A 8 -24.469 -11.152 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.511 -10.221 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -22.945 -8.321 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -21.418 -8.755 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 8 -23.077 -10.911 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -21.996 -10.467 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -23.050 -9.123 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.284 -8.978 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.849 -11.850 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -20.092 -10.415 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -21.066 -11.516 -4.429 1.00 0.00 H new ATOM 85 N ASP A 9 -24.215 -8.461 -1.525 1.00 0.00 N ATOM 86 CA ASP A 9 -24.547 -7.358 -0.631 1.00 0.00 C ATOM 87 C ASP A 9 -23.592 -7.315 0.558 1.00 0.00 C ATOM 88 O ASP A 9 -23.259 -6.242 1.061 1.00 0.00 O ATOM 89 CB ASP A 9 -25.989 -7.488 -0.139 1.00 0.00 C ATOM 90 CG ASP A 9 -26.140 -8.546 0.937 1.00 0.00 C ATOM 91 OD1 ASP A 9 -26.319 -9.731 0.584 1.00 0.00 O ATOM 92 OD2 ASP A 9 -26.079 -8.189 2.132 1.00 0.00 O ATOM 0 H ASP A 9 -24.658 -9.347 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 9 -24.445 -6.427 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -26.325 -6.527 0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.636 -7.735 -0.981 1.00 0.00 H new ATOM 97 N TYR A 10 -23.157 -8.489 1.002 1.00 0.00 N ATOM 98 CA TYR A 10 -22.243 -8.586 2.135 1.00 0.00 C ATOM 99 C TYR A 10 -21.119 -7.561 2.017 1.00 0.00 C ATOM 100 O TYR A 10 -20.668 -7.002 3.016 1.00 0.00 O ATOM 101 CB TYR A 10 -21.656 -9.996 2.223 1.00 0.00 C ATOM 102 CG TYR A 10 -20.657 -10.305 1.132 1.00 0.00 C ATOM 103 CD1 TYR A 10 -20.940 -10.019 -0.198 1.00 0.00 C ATOM 104 CD2 TYR A 10 -19.429 -10.884 1.430 1.00 0.00 C ATOM 105 CE1 TYR A 10 -20.030 -10.301 -1.199 1.00 0.00 C ATOM 106 CE2 TYR A 10 -18.513 -11.168 0.436 1.00 0.00 C ATOM 107 CZ TYR A 10 -18.818 -10.875 -0.876 1.00 0.00 C ATOM 108 OH TYR A 10 -17.908 -11.156 -1.870 1.00 0.00 O ATOM 0 H TYR A 10 -23.422 -9.386 0.595 1.00 0.00 H new ATOM 0 HA TYR A 10 -22.807 -8.377 3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -21.173 -10.119 3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -22.468 -10.722 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -21.888 -9.568 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -19.187 -11.116 2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.266 -10.073 -2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.563 -11.617 0.685 1.00 0.00 H new ATOM 0 HH TYR A 10 -17.106 -11.557 -1.475 1.00 0.00 H new ATOM 118 N GLN A 11 -20.672 -7.321 0.788 1.00 0.00 N ATOM 119 CA GLN A 11 -19.601 -6.364 0.539 1.00 0.00 C ATOM 120 C GLN A 11 -19.898 -5.027 1.211 1.00 0.00 C ATOM 121 O GLN A 11 -18.995 -4.362 1.718 1.00 0.00 O ATOM 122 CB GLN A 11 -19.409 -6.161 -0.965 1.00 0.00 C ATOM 123 CG GLN A 11 -20.422 -5.212 -1.585 1.00 0.00 C ATOM 124 CD GLN A 11 -20.028 -4.768 -2.980 1.00 0.00 C ATOM 125 OE1 GLN A 11 -20.495 -5.322 -3.975 1.00 0.00 O ATOM 126 NE2 GLN A 11 -19.165 -3.762 -3.059 1.00 0.00 N ATOM 0 H GLN A 11 -21.035 -7.776 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 11 -18.682 -6.767 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -18.405 -5.777 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.475 -7.127 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.395 -5.701 -1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.532 -4.336 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.803 -3.332 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.864 -3.419 -3.971 1.00 0.00 H new ATOM 135 N ARG A 12 -21.170 -4.639 1.210 1.00 0.00 N ATOM 136 CA ARG A 12 -21.586 -3.381 1.817 1.00 0.00 C ATOM 137 C ARG A 12 -20.702 -3.036 3.012 1.00 0.00 C ATOM 138 O ARG A 12 -20.389 -1.869 3.251 1.00 0.00 O ATOM 139 CB ARG A 12 -23.048 -3.462 2.257 1.00 0.00 C ATOM 140 CG ARG A 12 -24.038 -3.227 1.128 1.00 0.00 C ATOM 141 CD ARG A 12 -25.346 -2.647 1.644 1.00 0.00 C ATOM 142 NE ARG A 12 -26.484 -3.046 0.822 1.00 0.00 N ATOM 143 CZ ARG A 12 -27.647 -2.403 0.814 1.00 0.00 C ATOM 144 NH1 ARG A 12 -27.823 -1.336 1.581 1.00 0.00 N ATOM 145 NH2 ARG A 12 -28.636 -2.827 0.038 1.00 0.00 N ATOM 0 H ARG A 12 -21.930 -5.179 0.795 1.00 0.00 H new ATOM 0 HA ARG A 12 -21.482 -2.594 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -23.233 -4.444 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -23.224 -2.726 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -23.602 -2.548 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -24.234 -4.168 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -25.508 -2.975 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -25.277 -1.559 1.664 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.381 -3.863 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -27.065 -1.007 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -28.717 -0.844 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -28.504 -3.647 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -29.528 -2.333 0.033 1.00 0.00 H new ATOM 159 N LEU A 13 -20.303 -4.059 3.761 1.00 0.00 N ATOM 160 CA LEU A 13 -19.455 -3.865 4.932 1.00 0.00 C ATOM 161 C LEU A 13 -18.331 -2.878 4.633 1.00 0.00 C ATOM 162 O LEU A 13 -18.001 -2.630 3.473 1.00 0.00 O ATOM 163 CB LEU A 13 -18.868 -5.202 5.388 1.00 0.00 C ATOM 164 CG LEU A 13 -18.221 -6.057 4.299 1.00 0.00 C ATOM 165 CD1 LEU A 13 -16.795 -5.599 4.036 1.00 0.00 C ATOM 166 CD2 LEU A 13 -18.247 -7.528 4.690 1.00 0.00 C ATOM 0 H LEU A 13 -20.553 -5.031 3.578 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.071 -3.454 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -18.122 -5.005 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -19.662 -5.784 5.855 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.795 -5.935 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.351 -6.220 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.801 -4.559 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -16.209 -5.690 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -17.782 -8.122 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -17.698 -7.667 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -19.279 -7.850 4.826 1.00 0.00 H new ATOM 178 N TYR A 14 -17.746 -2.319 5.687 1.00 0.00 N ATOM 179 CA TYR A 14 -16.659 -1.359 5.538 1.00 0.00 C ATOM 180 C TYR A 14 -15.771 -1.722 4.351 1.00 0.00 C ATOM 181 O TYR A 14 -15.542 -0.906 3.460 1.00 0.00 O ATOM 182 CB TYR A 14 -15.821 -1.302 6.817 1.00 0.00 C ATOM 183 CG TYR A 14 -15.111 -2.599 7.133 1.00 0.00 C ATOM 184 CD1 TYR A 14 -15.823 -3.727 7.520 1.00 0.00 C ATOM 185 CD2 TYR A 14 -13.728 -2.695 7.048 1.00 0.00 C ATOM 186 CE1 TYR A 14 -15.179 -4.914 7.811 1.00 0.00 C ATOM 187 CE2 TYR A 14 -13.075 -3.878 7.336 1.00 0.00 C ATOM 188 CZ TYR A 14 -13.804 -4.984 7.717 1.00 0.00 C ATOM 189 OH TYR A 14 -13.157 -6.164 8.006 1.00 0.00 O ATOM 0 H TYR A 14 -18.007 -2.514 6.654 1.00 0.00 H new ATOM 0 HA TYR A 14 -17.097 -0.378 5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -15.082 -0.507 6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -16.468 -1.038 7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -16.899 -3.675 7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.153 -1.830 6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -15.748 -5.782 8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.999 -3.936 7.263 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.191 -6.045 7.890 1.00 0.00 H new ATOM 199 N GLY A 15 -15.273 -2.955 4.348 1.00 0.00 N ATOM 200 CA GLY A 15 -14.416 -3.406 3.267 1.00 0.00 C ATOM 201 C GLY A 15 -13.116 -2.630 3.194 1.00 0.00 C ATOM 202 O GLY A 15 -13.119 -1.398 3.175 1.00 0.00 O ATOM 0 H GLY A 15 -15.448 -3.649 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.196 -4.465 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.948 -3.307 2.321 1.00 0.00 H new ATOM 206 N THR A 16 -12.000 -3.350 3.156 1.00 0.00 N ATOM 207 CA THR A 16 -10.686 -2.722 3.089 1.00 0.00 C ATOM 208 C THR A 16 -10.191 -2.635 1.650 1.00 0.00 C ATOM 209 O THR A 16 -9.803 -3.641 1.056 1.00 0.00 O ATOM 210 CB THR A 16 -9.651 -3.492 3.931 1.00 0.00 C ATOM 211 OG1 THR A 16 -10.067 -3.533 5.300 1.00 0.00 O ATOM 212 CG2 THR A 16 -8.280 -2.840 3.831 1.00 0.00 C ATOM 0 H THR A 16 -11.979 -4.370 3.170 1.00 0.00 H new ATOM 0 HA THR A 16 -10.796 -1.716 3.494 1.00 0.00 H new ATOM 0 HB THR A 16 -9.582 -4.508 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.405 -4.026 5.828 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.566 -3.401 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.954 -2.837 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.337 -1.815 4.197 1.00 0.00 H new ATOM 220 N ARG A 17 -10.207 -1.428 1.095 1.00 0.00 N ATOM 221 CA ARG A 17 -9.760 -1.211 -0.275 1.00 0.00 C ATOM 222 C ARG A 17 -8.395 -0.529 -0.300 1.00 0.00 C ATOM 223 O ARG A 17 -8.227 0.567 0.235 1.00 0.00 O ATOM 224 CB ARG A 17 -10.780 -0.364 -1.039 1.00 0.00 C ATOM 225 CG ARG A 17 -10.771 -0.607 -2.540 1.00 0.00 C ATOM 226 CD ARG A 17 -11.649 0.397 -3.271 1.00 0.00 C ATOM 227 NE ARG A 17 -11.323 1.774 -2.911 1.00 0.00 N ATOM 228 CZ ARG A 17 -11.867 2.413 -1.881 1.00 0.00 C ATOM 229 NH1 ARG A 17 -12.758 1.801 -1.113 1.00 0.00 N ATOM 230 NH2 ARG A 17 -11.519 3.666 -1.617 1.00 0.00 N ATOM 0 H ARG A 17 -10.525 -0.585 1.573 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.670 -2.183 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.777 -0.574 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.579 0.690 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.750 -0.540 -2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.121 -1.618 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.531 0.266 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.696 0.200 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.640 2.273 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.027 0.838 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.174 2.294 -0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.833 4.140 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.937 4.156 -0.826 1.00 0.00 H new ATOM 244 N CYS A 18 -7.423 -1.184 -0.926 1.00 0.00 N ATOM 245 CA CYS A 18 -6.073 -0.643 -1.020 1.00 0.00 C ATOM 246 C CYS A 18 -6.102 0.816 -1.465 1.00 0.00 C ATOM 247 O CYS A 18 -6.804 1.174 -2.411 1.00 0.00 O ATOM 248 CB CYS A 18 -5.237 -1.470 -1.999 1.00 0.00 C ATOM 249 SG CYS A 18 -3.472 -1.021 -2.033 1.00 0.00 S ATOM 0 H CYS A 18 -7.546 -2.091 -1.376 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.618 -0.694 -0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.328 -2.524 -1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.650 -1.354 -3.001 1.00 0.00 H new ATOM 254 N PHE A 19 -5.334 1.655 -0.777 1.00 0.00 N ATOM 255 CA PHE A 19 -5.272 3.075 -1.100 1.00 0.00 C ATOM 256 C PHE A 19 -4.145 3.359 -2.088 1.00 0.00 C ATOM 257 O PHE A 19 -3.529 4.425 -2.054 1.00 0.00 O ATOM 258 CB PHE A 19 -5.071 3.901 0.172 1.00 0.00 C ATOM 259 CG PHE A 19 -6.354 4.400 0.772 1.00 0.00 C ATOM 260 CD1 PHE A 19 -7.338 4.957 -0.029 1.00 0.00 C ATOM 261 CD2 PHE A 19 -6.576 4.313 2.137 1.00 0.00 C ATOM 262 CE1 PHE A 19 -8.520 5.418 0.520 1.00 0.00 C ATOM 263 CE2 PHE A 19 -7.756 4.772 2.691 1.00 0.00 C ATOM 264 CZ PHE A 19 -8.729 5.326 1.882 1.00 0.00 C ATOM 0 H PHE A 19 -4.746 1.375 0.008 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.217 3.358 -1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.546 3.295 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.430 4.753 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.180 5.032 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.819 3.882 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.279 5.850 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.917 4.698 3.756 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.651 5.686 2.314 1.00 0.00 H new ATOM 274 N SER A 20 -3.880 2.398 -2.967 1.00 0.00 N ATOM 275 CA SER A 20 -2.824 2.542 -3.962 1.00 0.00 C ATOM 276 C SER A 20 -3.328 2.156 -5.349 1.00 0.00 C ATOM 277 O SER A 20 -3.242 2.940 -6.295 1.00 0.00 O ATOM 278 CB SER A 20 -1.619 1.677 -3.587 1.00 0.00 C ATOM 279 OG SER A 20 -0.731 2.381 -2.735 1.00 0.00 O ATOM 0 H SER A 20 -4.382 1.511 -3.010 1.00 0.00 H new ATOM 0 HA SER A 20 -2.519 3.588 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.960 0.768 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.093 1.369 -4.491 1.00 0.00 H new ATOM 0 HG SER A 20 -1.175 2.566 -1.881 1.00 0.00 H new ATOM 285 N CYS A 21 -3.856 0.942 -5.464 1.00 0.00 N ATOM 286 CA CYS A 21 -4.375 0.449 -6.734 1.00 0.00 C ATOM 287 C CYS A 21 -5.900 0.474 -6.744 1.00 0.00 C ATOM 288 O CYS A 21 -6.530 0.131 -7.745 1.00 0.00 O ATOM 289 CB CYS A 21 -3.874 -0.973 -6.996 1.00 0.00 C ATOM 290 SG CYS A 21 -4.346 -2.175 -5.711 1.00 0.00 S ATOM 0 H CYS A 21 -3.936 0.281 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.014 1.105 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.262 -1.312 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.787 -0.954 -7.080 1.00 0.00 H new ATOM 295 N ASP A 22 -6.488 0.881 -5.625 1.00 0.00 N ATOM 296 CA ASP A 22 -7.939 0.952 -5.505 1.00 0.00 C ATOM 297 C ASP A 22 -8.567 -0.427 -5.683 1.00 0.00 C ATOM 298 O ASP A 22 -9.529 -0.588 -6.434 1.00 0.00 O ATOM 299 CB ASP A 22 -8.511 1.924 -6.538 1.00 0.00 C ATOM 300 CG ASP A 22 -8.506 3.359 -6.047 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.263 3.665 -5.102 1.00 0.00 O ATOM 302 OD2 ASP A 22 -7.746 4.175 -6.608 1.00 0.00 O ATOM 0 H ASP A 22 -5.981 1.167 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.179 1.314 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.930 1.856 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.532 1.630 -6.783 1.00 0.00 H new ATOM 307 N GLN A 23 -8.016 -1.417 -4.989 1.00 0.00 N ATOM 308 CA GLN A 23 -8.521 -2.782 -5.073 1.00 0.00 C ATOM 309 C GLN A 23 -8.724 -3.374 -3.683 1.00 0.00 C ATOM 310 O GLN A 23 -7.914 -3.160 -2.781 1.00 0.00 O ATOM 311 CB GLN A 23 -7.557 -3.657 -5.877 1.00 0.00 C ATOM 312 CG GLN A 23 -7.290 -3.137 -7.280 1.00 0.00 C ATOM 313 CD GLN A 23 -8.552 -3.030 -8.113 1.00 0.00 C ATOM 314 OE1 GLN A 23 -9.313 -3.990 -8.233 1.00 0.00 O ATOM 315 NE2 GLN A 23 -8.780 -1.858 -8.695 1.00 0.00 N ATOM 0 H GLN A 23 -7.220 -1.300 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.485 -2.755 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.612 -3.730 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.965 -4.666 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.817 -2.157 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.584 -3.800 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.122 -1.089 -8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.613 -1.727 -9.269 1.00 0.00 H new ATOM 324 N PHE A 24 -9.812 -4.119 -3.515 1.00 0.00 N ATOM 325 CA PHE A 24 -10.123 -4.741 -2.233 1.00 0.00 C ATOM 326 C PHE A 24 -9.002 -5.681 -1.799 1.00 0.00 C ATOM 327 O PHE A 24 -8.573 -6.547 -2.562 1.00 0.00 O ATOM 328 CB PHE A 24 -11.442 -5.511 -2.322 1.00 0.00 C ATOM 329 CG PHE A 24 -12.656 -4.628 -2.262 1.00 0.00 C ATOM 330 CD1 PHE A 24 -12.737 -3.485 -3.041 1.00 0.00 C ATOM 331 CD2 PHE A 24 -13.717 -4.942 -1.427 1.00 0.00 C ATOM 332 CE1 PHE A 24 -13.852 -2.670 -2.986 1.00 0.00 C ATOM 333 CE2 PHE A 24 -14.835 -4.132 -1.369 1.00 0.00 C ATOM 334 CZ PHE A 24 -14.903 -2.995 -2.151 1.00 0.00 C ATOM 0 H PHE A 24 -10.493 -4.307 -4.251 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.221 -3.951 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.461 -6.078 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.487 -6.234 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.920 -3.228 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.669 -5.830 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -13.901 -1.780 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -15.654 -4.387 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.777 -2.361 -2.109 1.00 0.00 H new ATOM 344 N ILE A 25 -8.532 -5.502 -0.569 1.00 0.00 N ATOM 345 CA ILE A 25 -7.462 -6.333 -0.032 1.00 0.00 C ATOM 346 C ILE A 25 -8.022 -7.570 0.662 1.00 0.00 C ATOM 347 O ILE A 25 -8.590 -7.479 1.750 1.00 0.00 O ATOM 348 CB ILE A 25 -6.587 -5.550 0.965 1.00 0.00 C ATOM 349 CG1 ILE A 25 -6.260 -4.163 0.410 1.00 0.00 C ATOM 350 CG2 ILE A 25 -5.310 -6.320 1.267 1.00 0.00 C ATOM 351 CD1 ILE A 25 -5.581 -3.255 1.412 1.00 0.00 C ATOM 0 H ILE A 25 -8.876 -4.789 0.074 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.847 -6.641 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.143 -5.427 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.617 -4.272 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.181 -3.690 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.702 -5.754 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.563 -7.288 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.749 -6.471 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.379 -2.289 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.231 -3.115 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.642 -3.706 1.734 1.00 0.00 H new ATOM 363 N GLU A 26 -7.855 -8.725 0.026 1.00 0.00 N ATOM 364 CA GLU A 26 -8.344 -9.981 0.584 1.00 0.00 C ATOM 365 C GLU A 26 -7.220 -10.739 1.285 1.00 0.00 C ATOM 366 O GLU A 26 -6.047 -10.586 0.945 1.00 0.00 O ATOM 367 CB GLU A 26 -8.951 -10.852 -0.517 1.00 0.00 C ATOM 368 CG GLU A 26 -9.363 -12.235 -0.042 1.00 0.00 C ATOM 369 CD GLU A 26 -9.886 -13.107 -1.167 1.00 0.00 C ATOM 370 OE1 GLU A 26 -9.229 -13.163 -2.227 1.00 0.00 O ATOM 371 OE2 GLU A 26 -10.952 -13.733 -0.986 1.00 0.00 O ATOM 0 H GLU A 26 -7.386 -8.817 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.115 -9.747 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.823 -10.345 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.228 -10.956 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.508 -12.724 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.132 -12.138 0.725 1.00 0.00 H new ATOM 378 N GLY A 27 -7.587 -11.556 2.267 1.00 0.00 N ATOM 379 CA GLY A 27 -6.599 -12.325 3.002 1.00 0.00 C ATOM 380 C GLY A 27 -5.992 -11.543 4.149 1.00 0.00 C ATOM 381 O GLY A 27 -6.318 -11.782 5.312 1.00 0.00 O ATOM 0 H GLY A 27 -8.551 -11.699 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.064 -13.231 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.808 -12.639 2.321 1.00 0.00 H new ATOM 385 N GLU A 28 -5.107 -10.607 3.823 1.00 0.00 N ATOM 386 CA GLU A 28 -4.451 -9.790 4.837 1.00 0.00 C ATOM 387 C GLU A 28 -4.169 -8.387 4.306 1.00 0.00 C ATOM 388 O GLU A 28 -3.933 -8.198 3.113 1.00 0.00 O ATOM 389 CB GLU A 28 -3.146 -10.448 5.289 1.00 0.00 C ATOM 390 CG GLU A 28 -2.333 -9.593 6.247 1.00 0.00 C ATOM 391 CD GLU A 28 -1.283 -10.392 6.994 1.00 0.00 C ATOM 392 OE1 GLU A 28 -1.656 -11.137 7.925 1.00 0.00 O ATOM 393 OE2 GLU A 28 -0.089 -10.273 6.649 1.00 0.00 O ATOM 0 H GLU A 28 -4.828 -10.395 2.865 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.123 -9.709 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.376 -11.399 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.539 -10.673 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.847 -8.792 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.003 -9.120 6.965 1.00 0.00 H new ATOM 400 N VAL A 29 -4.195 -7.405 5.202 1.00 0.00 N ATOM 401 CA VAL A 29 -3.942 -6.020 4.826 1.00 0.00 C ATOM 402 C VAL A 29 -2.847 -5.406 5.691 1.00 0.00 C ATOM 403 O VAL A 29 -2.663 -5.793 6.845 1.00 0.00 O ATOM 404 CB VAL A 29 -5.216 -5.163 4.947 1.00 0.00 C ATOM 405 CG1 VAL A 29 -5.953 -5.481 6.239 1.00 0.00 C ATOM 406 CG2 VAL A 29 -4.873 -3.683 4.869 1.00 0.00 C ATOM 0 H VAL A 29 -4.389 -7.544 6.194 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.617 -6.030 3.786 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.875 -5.404 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.850 -4.866 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.234 -6.534 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.304 -5.271 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.785 -3.093 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.194 -3.424 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.394 -3.471 3.913 1.00 0.00 H new ATOM 416 N VAL A 30 -2.121 -4.447 5.126 1.00 0.00 N ATOM 417 CA VAL A 30 -1.044 -3.778 5.846 1.00 0.00 C ATOM 418 C VAL A 30 -1.445 -2.362 6.243 1.00 0.00 C ATOM 419 O VAL A 30 -1.364 -1.434 5.438 1.00 0.00 O ATOM 420 CB VAL A 30 0.243 -3.718 5.001 1.00 0.00 C ATOM 421 CG1 VAL A 30 1.341 -2.981 5.753 1.00 0.00 C ATOM 422 CG2 VAL A 30 0.695 -5.119 4.618 1.00 0.00 C ATOM 0 H VAL A 30 -2.259 -4.116 4.171 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.853 -4.364 6.745 1.00 0.00 H new ATOM 0 HB VAL A 30 0.030 -3.167 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.242 -2.948 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.013 -1.964 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.555 -3.501 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.605 -5.057 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.891 -5.698 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.087 -5.608 4.037 1.00 0.00 H new ATOM 432 N SER A 31 -1.878 -2.203 7.490 1.00 0.00 N ATOM 433 CA SER A 31 -2.295 -0.900 7.994 1.00 0.00 C ATOM 434 C SER A 31 -1.086 -0.011 8.268 1.00 0.00 C ATOM 435 O SER A 31 -0.356 -0.218 9.236 1.00 0.00 O ATOM 436 CB SER A 31 -3.121 -1.065 9.271 1.00 0.00 C ATOM 437 OG SER A 31 -2.327 -1.569 10.331 1.00 0.00 O ATOM 0 H SER A 31 -1.949 -2.960 8.169 1.00 0.00 H new ATOM 0 HA SER A 31 -2.910 -0.422 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.549 -0.104 9.558 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.955 -1.742 9.084 1.00 0.00 H new ATOM 0 HG SER A 31 -1.410 -1.235 10.240 1.00 0.00 H new ATOM 443 N ALA A 32 -0.882 0.981 7.406 1.00 0.00 N ATOM 444 CA ALA A 32 0.237 1.903 7.555 1.00 0.00 C ATOM 445 C ALA A 32 -0.210 3.346 7.347 1.00 0.00 C ATOM 446 O ALA A 32 -1.060 3.628 6.500 1.00 0.00 O ATOM 447 CB ALA A 32 1.348 1.547 6.580 1.00 0.00 C ATOM 0 H ALA A 32 -1.477 1.166 6.598 1.00 0.00 H new ATOM 0 HA ALA A 32 0.619 1.811 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.177 2.244 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.694 0.533 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.970 1.609 5.559 1.00 0.00 H new ATOM 453 N LEU A 33 0.365 4.257 8.124 1.00 0.00 N ATOM 454 CA LEU A 33 0.025 5.672 8.025 1.00 0.00 C ATOM 455 C LEU A 33 -1.484 5.876 8.105 1.00 0.00 C ATOM 456 O LEU A 33 -2.053 6.675 7.361 1.00 0.00 O ATOM 457 CB LEU A 33 0.562 6.255 6.717 1.00 0.00 C ATOM 458 CG LEU A 33 2.071 6.498 6.659 1.00 0.00 C ATOM 459 CD1 LEU A 33 2.487 7.524 7.702 1.00 0.00 C ATOM 460 CD2 LEU A 33 2.829 5.194 6.859 1.00 0.00 C ATOM 0 H LEU A 33 1.069 4.041 8.830 1.00 0.00 H new ATOM 0 HA LEU A 33 0.488 6.192 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.291 5.581 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.054 7.201 6.529 1.00 0.00 H new ATOM 0 HG LEU A 33 2.319 6.892 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.564 7.684 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.970 8.465 7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.226 7.159 8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.901 5.386 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.576 4.771 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.554 4.489 6.074 1.00 0.00 H new ATOM 472 N GLY A 34 -2.128 5.150 9.014 1.00 0.00 N ATOM 473 CA GLY A 34 -3.565 5.268 9.175 1.00 0.00 C ATOM 474 C GLY A 34 -4.317 4.994 7.888 1.00 0.00 C ATOM 475 O GLY A 34 -5.342 5.619 7.614 1.00 0.00 O ATOM 0 H GLY A 34 -1.680 4.482 9.642 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.900 4.571 9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.807 6.271 9.527 1.00 0.00 H new ATOM 479 N LYS A 35 -3.808 4.057 7.095 1.00 0.00 N ATOM 480 CA LYS A 35 -4.438 3.701 5.829 1.00 0.00 C ATOM 481 C LYS A 35 -4.234 2.222 5.517 1.00 0.00 C ATOM 482 O LYS A 35 -3.610 1.494 6.289 1.00 0.00 O ATOM 483 CB LYS A 35 -3.869 4.556 4.695 1.00 0.00 C ATOM 484 CG LYS A 35 -4.473 5.948 4.620 1.00 0.00 C ATOM 485 CD LYS A 35 -4.095 6.651 3.327 1.00 0.00 C ATOM 486 CE LYS A 35 -4.918 7.913 3.118 1.00 0.00 C ATOM 487 NZ LYS A 35 -4.544 8.617 1.860 1.00 0.00 N ATOM 0 H LYS A 35 -2.961 3.530 7.307 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.508 3.891 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.790 4.644 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.036 4.045 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.558 5.879 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.133 6.540 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.035 6.905 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.245 5.974 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.977 7.655 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.776 8.584 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.127 9.472 1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.540 8.885 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.703 7.986 1.049 1.00 0.00 H new ATOM 501 N THR A 36 -4.763 1.784 4.379 1.00 0.00 N ATOM 502 CA THR A 36 -4.638 0.392 3.964 1.00 0.00 C ATOM 503 C THR A 36 -3.879 0.276 2.647 1.00 0.00 C ATOM 504 O THR A 36 -4.155 1.006 1.694 1.00 0.00 O ATOM 505 CB THR A 36 -6.018 -0.273 3.808 1.00 0.00 C ATOM 506 OG1 THR A 36 -6.743 0.345 2.739 1.00 0.00 O ATOM 507 CG2 THR A 36 -6.819 -0.167 5.098 1.00 0.00 C ATOM 0 H THR A 36 -5.282 2.373 3.728 1.00 0.00 H new ATOM 0 HA THR A 36 -4.081 -0.122 4.747 1.00 0.00 H new ATOM 0 HB THR A 36 -5.864 -1.328 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.619 -0.085 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.790 -0.644 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.279 -0.665 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.962 0.883 5.352 1.00 0.00 H new ATOM 515 N TYR A 37 -2.923 -0.645 2.600 1.00 0.00 N ATOM 516 CA TYR A 37 -2.123 -0.854 1.399 1.00 0.00 C ATOM 517 C TYR A 37 -1.816 -2.336 1.201 1.00 0.00 C ATOM 518 O TYR A 37 -1.853 -3.122 2.149 1.00 0.00 O ATOM 519 CB TYR A 37 -0.819 -0.059 1.484 1.00 0.00 C ATOM 520 CG TYR A 37 -1.017 1.438 1.401 1.00 0.00 C ATOM 521 CD1 TYR A 37 -1.352 2.048 0.198 1.00 0.00 C ATOM 522 CD2 TYR A 37 -0.869 2.242 2.524 1.00 0.00 C ATOM 523 CE1 TYR A 37 -1.533 3.415 0.116 1.00 0.00 C ATOM 524 CE2 TYR A 37 -1.049 3.610 2.452 1.00 0.00 C ATOM 525 CZ TYR A 37 -1.381 4.192 1.246 1.00 0.00 C ATOM 526 OH TYR A 37 -1.560 5.554 1.170 1.00 0.00 O ATOM 0 H TYR A 37 -2.683 -1.258 3.379 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.700 -0.503 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.317 -0.299 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.157 -0.375 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.473 1.443 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.609 1.790 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.792 3.873 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.930 4.220 3.335 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.417 5.953 2.054 1.00 0.00 H new ATOM 536 N HIS A 38 -1.511 -2.710 -0.037 1.00 0.00 N ATOM 537 CA HIS A 38 -1.195 -4.096 -0.361 1.00 0.00 C ATOM 538 C HIS A 38 0.239 -4.434 0.036 1.00 0.00 C ATOM 539 O HIS A 38 1.075 -3.555 0.245 1.00 0.00 O ATOM 540 CB HIS A 38 -1.397 -4.352 -1.855 1.00 0.00 C ATOM 541 CG HIS A 38 -2.778 -4.814 -2.203 1.00 0.00 C ATOM 542 ND1 HIS A 38 -3.545 -4.221 -3.184 1.00 0.00 N ATOM 543 CD2 HIS A 38 -3.529 -5.819 -1.695 1.00 0.00 C ATOM 544 CE1 HIS A 38 -4.710 -4.841 -3.263 1.00 0.00 C ATOM 545 NE2 HIS A 38 -4.725 -5.815 -2.371 1.00 0.00 N ATOM 0 H HIS A 38 -1.476 -2.072 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.871 -4.738 0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.180 -3.436 -2.405 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.678 -5.101 -2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.242 -6.498 -0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.513 -4.593 -3.942 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.499 -6.460 -2.210 1.00 0.00 H new ATOM 553 N PRO A 39 0.532 -5.739 0.144 1.00 0.00 N ATOM 554 CA PRO A 39 1.864 -6.223 0.517 1.00 0.00 C ATOM 555 C PRO A 39 2.896 -5.981 -0.579 1.00 0.00 C ATOM 556 O PRO A 39 4.082 -6.263 -0.402 1.00 0.00 O ATOM 557 CB PRO A 39 1.650 -7.723 0.728 1.00 0.00 C ATOM 558 CG PRO A 39 0.467 -8.060 -0.111 1.00 0.00 C ATOM 559 CD PRO A 39 -0.415 -6.842 -0.091 1.00 0.00 C ATOM 0 HA PRO A 39 2.255 -5.707 1.394 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.527 -8.294 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.469 -7.953 1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.768 -8.307 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.058 -8.929 0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.951 -6.718 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.165 -6.902 0.697 1.00 0.00 H new ATOM 567 N ASP A 40 2.439 -5.457 -1.711 1.00 0.00 N ATOM 568 CA ASP A 40 3.323 -5.176 -2.836 1.00 0.00 C ATOM 569 C ASP A 40 3.170 -3.731 -3.300 1.00 0.00 C ATOM 570 O ASP A 40 3.953 -3.243 -4.116 1.00 0.00 O ATOM 571 CB ASP A 40 3.029 -6.131 -3.995 1.00 0.00 C ATOM 572 CG ASP A 40 2.687 -7.529 -3.520 1.00 0.00 C ATOM 573 OD1 ASP A 40 3.601 -8.234 -3.043 1.00 0.00 O ATOM 574 OD2 ASP A 40 1.505 -7.920 -3.626 1.00 0.00 O ATOM 0 H ASP A 40 1.461 -5.218 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 40 4.351 -5.325 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.201 -5.738 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.896 -6.176 -4.654 1.00 0.00 H new ATOM 579 N CYS A 41 2.156 -3.051 -2.776 1.00 0.00 N ATOM 580 CA CYS A 41 1.898 -1.663 -3.137 1.00 0.00 C ATOM 581 C CYS A 41 2.621 -0.711 -2.188 1.00 0.00 C ATOM 582 O CYS A 41 3.030 0.382 -2.580 1.00 0.00 O ATOM 583 CB CYS A 41 0.395 -1.379 -3.114 1.00 0.00 C ATOM 584 SG CYS A 41 -0.518 -2.088 -4.522 1.00 0.00 S ATOM 0 H CYS A 41 1.499 -3.439 -2.099 1.00 0.00 H new ATOM 0 HA CYS A 41 2.276 -1.500 -4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.024 -1.773 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.240 -0.300 -3.101 1.00 0.00 H new ATOM 589 N PHE A 42 2.776 -1.135 -0.938 1.00 0.00 N ATOM 590 CA PHE A 42 3.449 -0.321 0.067 1.00 0.00 C ATOM 591 C PHE A 42 4.964 -0.392 -0.100 1.00 0.00 C ATOM 592 O PHE A 42 5.701 -0.550 0.873 1.00 0.00 O ATOM 593 CB PHE A 42 3.058 -0.782 1.473 1.00 0.00 C ATOM 594 CG PHE A 42 3.370 0.225 2.543 1.00 0.00 C ATOM 595 CD1 PHE A 42 2.894 1.523 2.451 1.00 0.00 C ATOM 596 CD2 PHE A 42 4.140 -0.126 3.640 1.00 0.00 C ATOM 597 CE1 PHE A 42 3.180 2.452 3.434 1.00 0.00 C ATOM 598 CE2 PHE A 42 4.430 0.798 4.626 1.00 0.00 C ATOM 599 CZ PHE A 42 3.948 2.088 4.523 1.00 0.00 C ATOM 0 H PHE A 42 2.445 -2.037 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 42 3.134 0.714 -0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.990 -1.000 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.578 -1.713 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.293 1.812 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.518 -1.134 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.804 3.461 3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.032 0.512 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.171 2.812 5.293 1.00 0.00 H new ATOM 609 N VAL A 43 5.422 -0.274 -1.343 1.00 0.00 N ATOM 610 CA VAL A 43 6.849 -0.325 -1.639 1.00 0.00 C ATOM 611 C VAL A 43 7.315 0.961 -2.314 1.00 0.00 C ATOM 612 O VAL A 43 6.506 1.820 -2.665 1.00 0.00 O ATOM 613 CB VAL A 43 7.191 -1.521 -2.547 1.00 0.00 C ATOM 614 CG1 VAL A 43 6.684 -2.818 -1.935 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.612 -1.317 -3.939 1.00 0.00 C ATOM 0 H VAL A 43 4.826 -0.143 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 43 7.367 -0.442 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 43 8.275 -1.588 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.935 -3.652 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.151 -2.968 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.602 -2.765 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.864 -2.172 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.528 -1.223 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.029 -0.410 -4.377 1.00 0.00 H new ATOM 625 N CYS A 44 8.626 1.086 -2.493 1.00 0.00 N ATOM 626 CA CYS A 44 9.203 2.266 -3.125 1.00 0.00 C ATOM 627 C CYS A 44 8.498 2.576 -4.443 1.00 0.00 C ATOM 628 O CYS A 44 7.788 1.734 -4.992 1.00 0.00 O ATOM 629 CB CYS A 44 10.699 2.060 -3.371 1.00 0.00 C ATOM 630 SG CYS A 44 11.577 3.560 -3.915 1.00 0.00 S ATOM 0 H CYS A 44 9.309 0.384 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 44 9.066 3.112 -2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.160 1.695 -2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.829 1.283 -4.124 1.00 0.00 H new ATOM 635 N ALA A 45 8.699 3.791 -4.944 1.00 0.00 N ATOM 636 CA ALA A 45 8.086 4.212 -6.197 1.00 0.00 C ATOM 637 C ALA A 45 9.079 4.124 -7.351 1.00 0.00 C ATOM 638 O ALA A 45 8.689 3.965 -8.508 1.00 0.00 O ATOM 639 CB ALA A 45 7.544 5.628 -6.070 1.00 0.00 C ATOM 0 H ALA A 45 9.282 4.501 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 45 7.258 3.536 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.089 5.929 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.795 5.661 -5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.359 6.309 -5.827 1.00 0.00 H new ATOM 645 N VAL A 46 10.364 4.230 -7.029 1.00 0.00 N ATOM 646 CA VAL A 46 11.414 4.162 -8.039 1.00 0.00 C ATOM 647 C VAL A 46 11.909 2.732 -8.222 1.00 0.00 C ATOM 648 O VAL A 46 11.670 2.108 -9.257 1.00 0.00 O ATOM 649 CB VAL A 46 12.607 5.063 -7.670 1.00 0.00 C ATOM 650 CG1 VAL A 46 13.609 5.118 -8.813 1.00 0.00 C ATOM 651 CG2 VAL A 46 12.126 6.459 -7.304 1.00 0.00 C ATOM 0 H VAL A 46 10.703 4.363 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 46 10.977 4.515 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 46 13.107 4.636 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.445 5.759 -8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.977 4.114 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.124 5.520 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.982 7.083 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.601 6.897 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.450 6.399 -6.451 1.00 0.00 H new ATOM 661 N CYS A 47 12.599 2.216 -7.211 1.00 0.00 N ATOM 662 CA CYS A 47 13.129 0.859 -7.259 1.00 0.00 C ATOM 663 C CYS A 47 12.019 -0.166 -7.041 1.00 0.00 C ATOM 664 O CYS A 47 12.186 -1.349 -7.336 1.00 0.00 O ATOM 665 CB CYS A 47 14.220 0.677 -6.202 1.00 0.00 C ATOM 666 SG CYS A 47 13.630 0.844 -4.487 1.00 0.00 S ATOM 0 H CYS A 47 12.804 2.718 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 47 13.560 0.699 -8.247 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.670 -0.308 -6.326 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.007 1.411 -6.377 1.00 0.00 H new ATOM 671 N ARG A 48 10.887 0.298 -6.523 1.00 0.00 N ATOM 672 CA ARG A 48 9.750 -0.578 -6.264 1.00 0.00 C ATOM 673 C ARG A 48 10.154 -1.742 -5.364 1.00 0.00 C ATOM 674 O ARG A 48 9.699 -2.872 -5.550 1.00 0.00 O ATOM 675 CB ARG A 48 9.180 -1.111 -7.580 1.00 0.00 C ATOM 676 CG ARG A 48 8.628 -0.025 -8.489 1.00 0.00 C ATOM 677 CD ARG A 48 7.158 0.243 -8.208 1.00 0.00 C ATOM 678 NE ARG A 48 6.484 0.855 -9.350 1.00 0.00 N ATOM 679 CZ ARG A 48 6.060 0.170 -10.406 1.00 0.00 C ATOM 680 NH1 ARG A 48 6.239 -1.143 -10.465 1.00 0.00 N ATOM 681 NH2 ARG A 48 5.456 0.798 -11.407 1.00 0.00 N ATOM 0 H ARG A 48 10.732 1.275 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 48 8.983 0.005 -5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.961 -1.655 -8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.387 -1.826 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.199 0.893 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.752 -0.323 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.661 -0.693 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.068 0.898 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 48 6.331 1.863 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.703 -1.629 -9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.912 -1.666 -11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.317 1.808 -11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.131 0.271 -12.218 1.00 0.00 H new ATOM 695 N LEU A 49 11.010 -1.459 -4.389 1.00 0.00 N ATOM 696 CA LEU A 49 11.476 -2.482 -3.459 1.00 0.00 C ATOM 697 C LEU A 49 10.731 -2.392 -2.132 1.00 0.00 C ATOM 698 O LEU A 49 10.417 -1.308 -1.640 1.00 0.00 O ATOM 699 CB LEU A 49 12.981 -2.338 -3.223 1.00 0.00 C ATOM 700 CG LEU A 49 13.879 -2.617 -4.429 1.00 0.00 C ATOM 701 CD1 LEU A 49 15.330 -2.304 -4.097 1.00 0.00 C ATOM 702 CD2 LEU A 49 13.733 -4.063 -4.880 1.00 0.00 C ATOM 0 H LEU A 49 11.396 -0.530 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 49 11.276 -3.458 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.179 -1.324 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.268 -3.013 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 49 13.567 -1.969 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.954 -2.508 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.422 -1.253 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.655 -2.926 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.379 -4.243 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.018 -4.729 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.697 -4.254 -5.159 1.00 0.00 H new ATOM 714 N PRO A 50 10.442 -3.558 -1.535 1.00 0.00 N ATOM 715 CA PRO A 50 9.732 -3.637 -0.254 1.00 0.00 C ATOM 716 C PRO A 50 10.581 -3.139 0.911 1.00 0.00 C ATOM 717 O PRO A 50 11.784 -3.394 0.969 1.00 0.00 O ATOM 718 CB PRO A 50 9.441 -5.132 -0.102 1.00 0.00 C ATOM 719 CG PRO A 50 10.495 -5.808 -0.909 1.00 0.00 C ATOM 720 CD PRO A 50 10.786 -4.889 -2.063 1.00 0.00 C ATOM 0 HA PRO A 50 8.840 -3.011 -0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.485 -5.439 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.444 -5.380 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.391 -5.982 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.153 -6.781 -1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.832 -4.943 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.187 -5.141 -2.938 1.00 0.00 H new ATOM 728 N PHE A 51 9.947 -2.427 1.837 1.00 0.00 N ATOM 729 CA PHE A 51 10.645 -1.892 3.000 1.00 0.00 C ATOM 730 C PHE A 51 10.698 -2.923 4.124 1.00 0.00 C ATOM 731 O PHE A 51 9.681 -3.483 4.535 1.00 0.00 O ATOM 732 CB PHE A 51 9.956 -0.619 3.494 1.00 0.00 C ATOM 733 CG PHE A 51 9.554 0.313 2.386 1.00 0.00 C ATOM 734 CD1 PHE A 51 10.513 0.960 1.624 1.00 0.00 C ATOM 735 CD2 PHE A 51 8.216 0.541 2.106 1.00 0.00 C ATOM 736 CE1 PHE A 51 10.146 1.818 0.605 1.00 0.00 C ATOM 737 CE2 PHE A 51 7.843 1.398 1.088 1.00 0.00 C ATOM 738 CZ PHE A 51 8.809 2.036 0.336 1.00 0.00 C ATOM 0 H PHE A 51 8.951 -2.207 1.805 1.00 0.00 H new ATOM 0 HA PHE A 51 11.665 -1.652 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.070 -0.894 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.626 -0.094 4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.560 0.792 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.456 0.043 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.904 2.318 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.797 1.568 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.520 2.705 -0.461 1.00 0.00 H new ATOM 748 N PRO A 52 11.912 -3.182 4.633 1.00 0.00 N ATOM 749 CA PRO A 52 12.127 -4.146 5.715 1.00 0.00 C ATOM 750 C PRO A 52 11.565 -3.659 7.046 1.00 0.00 C ATOM 751 O PRO A 52 11.188 -2.497 7.200 1.00 0.00 O ATOM 752 CB PRO A 52 13.652 -4.262 5.789 1.00 0.00 C ATOM 753 CG PRO A 52 14.156 -2.971 5.242 1.00 0.00 C ATOM 754 CD PRO A 52 13.167 -2.552 4.191 1.00 0.00 C ATOM 0 HA PRO A 52 11.622 -5.093 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.988 -4.416 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.014 -5.108 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.234 -2.219 6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.152 -3.090 4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.074 -1.467 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.463 -2.897 3.200 1.00 0.00 H new ATOM 762 N PRO A 53 11.508 -4.566 8.033 1.00 0.00 N ATOM 763 CA PRO A 53 10.994 -4.250 9.369 1.00 0.00 C ATOM 764 C PRO A 53 11.924 -3.323 10.144 1.00 0.00 C ATOM 765 O PRO A 53 12.959 -3.749 10.652 1.00 0.00 O ATOM 766 CB PRO A 53 10.914 -5.619 10.051 1.00 0.00 C ATOM 767 CG PRO A 53 11.925 -6.453 9.343 1.00 0.00 C ATOM 768 CD PRO A 53 11.940 -5.969 7.920 1.00 0.00 C ATOM 0 HA PRO A 53 10.041 -3.724 9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.137 -5.545 11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.916 -6.047 9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.908 -6.347 9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.663 -7.510 9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.933 -6.049 7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.264 -6.548 7.291 1.00 0.00 H new ATOM 776 N GLY A 54 11.546 -2.051 10.230 1.00 0.00 N ATOM 777 CA GLY A 54 12.357 -1.083 10.945 1.00 0.00 C ATOM 778 C GLY A 54 12.697 0.127 10.098 1.00 0.00 C ATOM 779 O GLY A 54 12.342 1.254 10.442 1.00 0.00 O ATOM 0 H GLY A 54 10.693 -1.674 9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.826 -0.759 11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.279 -1.561 11.277 1.00 0.00 H new ATOM 783 N ASP A 55 13.388 -0.106 8.987 1.00 0.00 N ATOM 784 CA ASP A 55 13.778 0.975 8.088 1.00 0.00 C ATOM 785 C ASP A 55 12.648 1.989 7.937 1.00 0.00 C ATOM 786 O ASP A 55 11.476 1.621 7.862 1.00 0.00 O ATOM 787 CB ASP A 55 14.162 0.414 6.718 1.00 0.00 C ATOM 788 CG ASP A 55 14.739 1.473 5.800 1.00 0.00 C ATOM 789 OD1 ASP A 55 15.611 2.242 6.255 1.00 0.00 O ATOM 790 OD2 ASP A 55 14.319 1.532 4.626 1.00 0.00 O ATOM 0 H ASP A 55 13.690 -1.033 8.687 1.00 0.00 H new ATOM 0 HA ASP A 55 14.642 1.481 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.890 -0.386 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.282 -0.028 6.250 1.00 0.00 H new ATOM 795 N ARG A 56 13.010 3.267 7.894 1.00 0.00 N ATOM 796 CA ARG A 56 12.027 4.335 7.754 1.00 0.00 C ATOM 797 C ARG A 56 11.642 4.532 6.290 1.00 0.00 C ATOM 798 O ARG A 56 12.382 4.145 5.386 1.00 0.00 O ATOM 799 CB ARG A 56 12.577 5.642 8.328 1.00 0.00 C ATOM 800 CG ARG A 56 12.289 5.825 9.810 1.00 0.00 C ATOM 801 CD ARG A 56 13.063 4.825 10.655 1.00 0.00 C ATOM 802 NE ARG A 56 13.299 5.319 12.009 1.00 0.00 N ATOM 803 CZ ARG A 56 13.601 4.533 13.036 1.00 0.00 C ATOM 804 NH1 ARG A 56 13.703 3.222 12.864 1.00 0.00 N ATOM 805 NH2 ARG A 56 13.801 5.058 14.238 1.00 0.00 N ATOM 0 H ARG A 56 13.976 3.588 7.954 1.00 0.00 H new ATOM 0 HA ARG A 56 11.135 4.048 8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.655 5.674 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.149 6.480 7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.553 6.839 10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.221 5.707 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.511 3.887 10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.018 4.609 10.176 1.00 0.00 H new ATOM 0 HE ARG A 56 13.228 6.323 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.549 2.815 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.935 2.620 13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.723 6.066 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.033 4.454 15.026 1.00 0.00 H new ATOM 819 N VAL A 57 10.480 5.137 6.065 1.00 0.00 N ATOM 820 CA VAL A 57 9.997 5.386 4.712 1.00 0.00 C ATOM 821 C VAL A 57 9.641 6.855 4.518 1.00 0.00 C ATOM 822 O VAL A 57 8.995 7.467 5.370 1.00 0.00 O ATOM 823 CB VAL A 57 8.764 4.522 4.388 1.00 0.00 C ATOM 824 CG1 VAL A 57 8.281 4.791 2.972 1.00 0.00 C ATOM 825 CG2 VAL A 57 9.082 3.047 4.581 1.00 0.00 C ATOM 0 H VAL A 57 9.856 5.464 6.802 1.00 0.00 H new ATOM 0 HA VAL A 57 10.806 5.119 4.032 1.00 0.00 H new ATOM 0 HB VAL A 57 7.963 4.790 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.409 4.172 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.011 5.843 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.075 4.552 2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.200 2.451 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.899 2.761 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.376 2.871 5.616 1.00 0.00 H new ATOM 835 N THR A 58 10.065 7.417 3.390 1.00 0.00 N ATOM 836 CA THR A 58 9.791 8.816 3.083 1.00 0.00 C ATOM 837 C THR A 58 8.581 8.950 2.165 1.00 0.00 C ATOM 838 O THR A 58 8.537 8.353 1.089 1.00 0.00 O ATOM 839 CB THR A 58 11.004 9.493 2.419 1.00 0.00 C ATOM 840 OG1 THR A 58 12.129 9.460 3.304 1.00 0.00 O ATOM 841 CG2 THR A 58 10.685 10.934 2.050 1.00 0.00 C ATOM 0 H THR A 58 10.599 6.925 2.674 1.00 0.00 H new ATOM 0 HA THR A 58 9.581 9.313 4.030 1.00 0.00 H new ATOM 0 HB THR A 58 11.243 8.946 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.897 9.891 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.557 11.391 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.847 10.954 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.422 11.490 2.950 1.00 0.00 H new ATOM 849 N PHE A 59 7.602 9.739 2.595 1.00 0.00 N ATOM 850 CA PHE A 59 6.392 9.952 1.811 1.00 0.00 C ATOM 851 C PHE A 59 6.557 11.140 0.867 1.00 0.00 C ATOM 852 O PHE A 59 6.662 12.284 1.306 1.00 0.00 O ATOM 853 CB PHE A 59 5.194 10.183 2.735 1.00 0.00 C ATOM 854 CG PHE A 59 5.513 11.041 3.926 1.00 0.00 C ATOM 855 CD1 PHE A 59 5.459 12.422 3.836 1.00 0.00 C ATOM 856 CD2 PHE A 59 5.866 10.465 5.136 1.00 0.00 C ATOM 857 CE1 PHE A 59 5.752 13.214 4.930 1.00 0.00 C ATOM 858 CE2 PHE A 59 6.158 11.252 6.234 1.00 0.00 C ATOM 859 CZ PHE A 59 6.103 12.628 6.130 1.00 0.00 C ATOM 0 H PHE A 59 7.623 10.241 3.482 1.00 0.00 H new ATOM 0 HA PHE A 59 6.214 9.058 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.391 10.650 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.821 9.219 3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.185 12.885 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.913 9.389 5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.706 14.290 4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.429 10.791 7.172 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.334 13.245 6.986 1.00 0.00 H new ATOM 869 N ASN A 60 6.578 10.857 -0.431 1.00 0.00 N ATOM 870 CA ASN A 60 6.732 11.901 -1.438 1.00 0.00 C ATOM 871 C ASN A 60 5.578 11.869 -2.436 1.00 0.00 C ATOM 872 O ASN A 60 5.606 11.117 -3.409 1.00 0.00 O ATOM 873 CB ASN A 60 8.063 11.737 -2.175 1.00 0.00 C ATOM 874 CG ASN A 60 8.479 10.284 -2.298 1.00 0.00 C ATOM 875 OD1 ASN A 60 9.175 9.751 -1.433 1.00 0.00 O ATOM 876 ND2 ASN A 60 8.055 9.637 -3.377 1.00 0.00 N ATOM 0 H ASN A 60 6.490 9.914 -0.810 1.00 0.00 H new ATOM 0 HA ASN A 60 6.723 12.865 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.981 12.174 -3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.839 12.291 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.304 8.658 -3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.480 10.119 -4.068 1.00 0.00 H new ATOM 883 N GLY A 61 4.563 12.691 -2.186 1.00 0.00 N ATOM 884 CA GLY A 61 3.414 12.742 -3.071 1.00 0.00 C ATOM 885 C GLY A 61 2.399 11.659 -2.765 1.00 0.00 C ATOM 886 O GLY A 61 1.910 11.556 -1.639 1.00 0.00 O ATOM 0 H GLY A 61 4.516 13.322 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.936 13.718 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.749 12.640 -4.103 1.00 0.00 H new ATOM 890 N LYS A 62 2.078 10.850 -3.768 1.00 0.00 N ATOM 891 CA LYS A 62 1.113 9.769 -3.602 1.00 0.00 C ATOM 892 C LYS A 62 1.792 8.511 -3.070 1.00 0.00 C ATOM 893 O LYS A 62 1.301 7.878 -2.136 1.00 0.00 O ATOM 894 CB LYS A 62 0.423 9.465 -4.933 1.00 0.00 C ATOM 895 CG LYS A 62 -0.639 10.482 -5.314 1.00 0.00 C ATOM 896 CD LYS A 62 -0.049 11.628 -6.120 1.00 0.00 C ATOM 897 CE LYS A 62 0.190 11.227 -7.567 1.00 0.00 C ATOM 898 NZ LYS A 62 0.572 12.393 -8.410 1.00 0.00 N ATOM 0 H LYS A 62 2.472 10.922 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 62 0.365 10.091 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.175 9.424 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.035 8.477 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.421 9.993 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.109 10.874 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.723 12.484 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.891 11.945 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.977 10.474 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.712 10.768 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.726 12.078 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.190 13.100 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.447 12.816 -8.041 1.00 0.00 H new ATOM 912 N GLU A 63 2.923 8.155 -3.671 1.00 0.00 N ATOM 913 CA GLU A 63 3.669 6.972 -3.257 1.00 0.00 C ATOM 914 C GLU A 63 4.801 7.348 -2.305 1.00 0.00 C ATOM 915 O GLU A 63 5.075 8.529 -2.086 1.00 0.00 O ATOM 916 CB GLU A 63 4.234 6.244 -4.478 1.00 0.00 C ATOM 917 CG GLU A 63 3.168 5.753 -5.442 1.00 0.00 C ATOM 918 CD GLU A 63 3.694 4.716 -6.415 1.00 0.00 C ATOM 919 OE1 GLU A 63 4.709 4.063 -6.096 1.00 0.00 O ATOM 920 OE2 GLU A 63 3.089 4.557 -7.496 1.00 0.00 O ATOM 0 H GLU A 63 3.343 8.669 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 63 2.983 6.307 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.911 6.914 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.827 5.393 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.340 5.327 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.770 6.601 -6.000 1.00 0.00 H new ATOM 927 N CYS A 64 5.454 6.337 -1.744 1.00 0.00 N ATOM 928 CA CYS A 64 6.557 6.561 -0.815 1.00 0.00 C ATOM 929 C CYS A 64 7.844 5.930 -1.336 1.00 0.00 C ATOM 930 O CYS A 64 7.832 4.818 -1.863 1.00 0.00 O ATOM 931 CB CYS A 64 6.214 5.989 0.561 1.00 0.00 C ATOM 932 SG CYS A 64 4.698 6.659 1.283 1.00 0.00 S ATOM 0 H CYS A 64 5.240 5.355 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 64 6.713 7.636 -0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 64 6.117 4.907 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 64 7.044 6.183 1.240 1.00 0.00 H new ATOM 0 HG CYS A 64 4.492 6.112 2.444 1.00 0.00 H new ATOM 938 N MET A 65 8.952 6.648 -1.186 1.00 0.00 N ATOM 939 CA MET A 65 10.247 6.157 -1.642 1.00 0.00 C ATOM 940 C MET A 65 11.109 5.720 -0.462 1.00 0.00 C ATOM 941 O MET A 65 10.948 6.215 0.655 1.00 0.00 O ATOM 942 CB MET A 65 10.972 7.239 -2.445 1.00 0.00 C ATOM 943 CG MET A 65 10.558 7.290 -3.907 1.00 0.00 C ATOM 944 SD MET A 65 10.616 8.959 -4.587 1.00 0.00 S ATOM 945 CE MET A 65 12.158 9.553 -3.896 1.00 0.00 C ATOM 0 H MET A 65 8.979 7.571 -0.753 1.00 0.00 H new ATOM 0 HA MET A 65 10.075 5.292 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.780 8.210 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 65 12.046 7.065 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.213 6.642 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.547 6.895 -4.008 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.561 10.343 -4.530 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.981 9.946 -2.895 1.00 0.00 H new ATOM 0 HE3 MET A 65 12.873 8.732 -3.842 1.00 0.00 H new ATOM 955 N CYS A 66 12.025 4.792 -0.715 1.00 0.00 N ATOM 956 CA CYS A 66 12.912 4.287 0.326 1.00 0.00 C ATOM 957 C CYS A 66 13.930 5.349 0.735 1.00 0.00 C ATOM 958 O CYS A 66 13.892 6.478 0.247 1.00 0.00 O ATOM 959 CB CYS A 66 13.637 3.030 -0.158 1.00 0.00 C ATOM 960 SG CYS A 66 14.772 3.316 -1.553 1.00 0.00 S ATOM 0 H CYS A 66 12.173 4.374 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 66 12.305 4.036 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 66 14.200 2.606 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 66 12.896 2.287 -0.453 1.00 0.00 H new ATOM 965 N GLN A 67 14.837 4.976 1.632 1.00 0.00 N ATOM 966 CA GLN A 67 15.864 5.897 2.106 1.00 0.00 C ATOM 967 C GLN A 67 16.904 6.157 1.021 1.00 0.00 C ATOM 968 O GLN A 67 17.225 7.306 0.717 1.00 0.00 O ATOM 969 CB GLN A 67 16.543 5.335 3.356 1.00 0.00 C ATOM 970 CG GLN A 67 15.704 5.470 4.617 1.00 0.00 C ATOM 971 CD GLN A 67 15.546 6.910 5.062 1.00 0.00 C ATOM 972 OE1 GLN A 67 16.523 7.578 5.400 1.00 0.00 O ATOM 973 NE2 GLN A 67 14.310 7.397 5.064 1.00 0.00 N ATOM 0 H GLN A 67 14.882 4.044 2.045 1.00 0.00 H new ATOM 0 HA GLN A 67 15.383 6.842 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 67 16.772 4.282 3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 67 17.493 5.848 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.719 5.038 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.166 4.895 5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.529 6.807 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.142 8.360 5.354 1.00 0.00 H new ATOM 982 N LYS A 68 17.428 5.083 0.441 1.00 0.00 N ATOM 983 CA LYS A 68 18.432 5.194 -0.611 1.00 0.00 C ATOM 984 C LYS A 68 17.975 6.162 -1.698 1.00 0.00 C ATOM 985 O LYS A 68 18.526 7.253 -1.844 1.00 0.00 O ATOM 986 CB LYS A 68 18.715 3.820 -1.221 1.00 0.00 C ATOM 987 CG LYS A 68 19.694 3.860 -2.382 1.00 0.00 C ATOM 988 CD LYS A 68 19.845 2.495 -3.032 1.00 0.00 C ATOM 989 CE LYS A 68 20.646 2.577 -4.322 1.00 0.00 C ATOM 990 NZ LYS A 68 21.232 1.260 -4.696 1.00 0.00 N ATOM 0 H LYS A 68 17.174 4.125 0.682 1.00 0.00 H new ATOM 0 HA LYS A 68 19.348 5.582 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.109 3.162 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 68 17.777 3.383 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.351 4.581 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.666 4.205 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.338 1.814 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.859 2.079 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.002 2.930 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 68 21.444 3.310 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.770 1.358 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 21.867 0.935 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.469 0.566 -4.830 1.00 0.00 H new ATOM 1004 N CYS A 69 16.964 5.755 -2.459 1.00 0.00 N ATOM 1005 CA CYS A 69 16.432 6.585 -3.533 1.00 0.00 C ATOM 1006 C CYS A 69 16.368 8.049 -3.107 1.00 0.00 C ATOM 1007 O CYS A 69 16.704 8.946 -3.880 1.00 0.00 O ATOM 1008 CB CYS A 69 15.040 6.099 -3.939 1.00 0.00 C ATOM 1009 SG CYS A 69 15.045 4.560 -4.913 1.00 0.00 S ATOM 0 H CYS A 69 16.497 4.855 -2.351 1.00 0.00 H new ATOM 0 HA CYS A 69 17.102 6.503 -4.389 1.00 0.00 H new ATOM 0 HB2 CYS A 69 14.444 5.945 -3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 69 14.548 6.881 -4.518 1.00 0.00 H new ATOM 1014 N SER A 70 15.933 8.282 -1.873 1.00 0.00 N ATOM 1015 CA SER A 70 15.821 9.637 -1.345 1.00 0.00 C ATOM 1016 C SER A 70 17.200 10.224 -1.059 1.00 0.00 C ATOM 1017 O SER A 70 17.422 11.425 -1.219 1.00 0.00 O ATOM 1018 CB SER A 70 14.977 9.642 -0.069 1.00 0.00 C ATOM 1019 OG SER A 70 14.278 10.866 0.075 1.00 0.00 O ATOM 0 H SER A 70 15.652 7.550 -1.220 1.00 0.00 H new ATOM 0 HA SER A 70 15.331 10.255 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.267 8.815 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.620 9.483 0.797 1.00 0.00 H new ATOM 0 HG SER A 70 13.745 10.843 0.897 1.00 0.00 H new ATOM 1025 N LEU A 71 18.123 9.369 -0.633 1.00 0.00 N ATOM 1026 CA LEU A 71 19.482 9.802 -0.323 1.00 0.00 C ATOM 1027 C LEU A 71 20.311 9.943 -1.596 1.00 0.00 C ATOM 1028 O LEU A 71 20.084 9.259 -2.594 1.00 0.00 O ATOM 1029 CB LEU A 71 20.150 8.807 0.627 1.00 0.00 C ATOM 1030 CG LEU A 71 19.654 8.824 2.074 1.00 0.00 C ATOM 1031 CD1 LEU A 71 20.612 8.060 2.975 1.00 0.00 C ATOM 1032 CD2 LEU A 71 19.485 10.255 2.563 1.00 0.00 C ATOM 0 H LEU A 71 17.956 8.372 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 71 19.426 10.776 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.009 7.803 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 21.223 9.001 0.629 1.00 0.00 H new ATOM 0 HG LEU A 71 18.682 8.332 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.243 8.083 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.682 7.026 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 71 21.598 8.523 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.132 10.248 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.443 10.773 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.759 10.771 1.934 1.00 0.00 H new ATOM 1044 N PRO A 72 21.298 10.851 -1.561 1.00 0.00 N ATOM 1045 CA PRO A 72 22.184 11.101 -2.702 1.00 0.00 C ATOM 1046 C PRO A 72 23.132 9.937 -2.967 1.00 0.00 C ATOM 1047 O PRO A 72 23.990 9.621 -2.142 1.00 0.00 O ATOM 1048 CB PRO A 72 22.970 12.344 -2.275 1.00 0.00 C ATOM 1049 CG PRO A 72 22.946 12.313 -0.785 1.00 0.00 C ATOM 1050 CD PRO A 72 21.626 11.702 -0.404 1.00 0.00 C ATOM 0 HA PRO A 72 21.626 11.230 -3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.991 12.317 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.511 13.255 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 72 23.776 11.724 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 72 23.045 13.317 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 72 21.703 11.120 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.864 12.463 -0.236 1.00 0.00 H new ATOM 1058 N VAL A 73 22.971 9.300 -4.122 1.00 0.00 N ATOM 1059 CA VAL A 73 23.813 8.170 -4.497 1.00 0.00 C ATOM 1060 C VAL A 73 24.306 8.304 -5.934 1.00 0.00 C ATOM 1061 O VAL A 73 23.663 8.947 -6.763 1.00 0.00 O ATOM 1062 CB VAL A 73 23.061 6.835 -4.346 1.00 0.00 C ATOM 1063 CG1 VAL A 73 24.035 5.667 -4.378 1.00 0.00 C ATOM 1064 CG2 VAL A 73 22.247 6.825 -3.061 1.00 0.00 C ATOM 0 H VAL A 73 22.265 9.547 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 73 24.668 8.175 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 73 22.374 6.728 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.485 4.732 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 73 24.570 5.666 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.748 5.765 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 73 21.722 5.874 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.913 6.955 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.522 7.639 -3.083 1.00 0.00 H new ATOM 1074 N SER A 74 25.450 7.692 -6.221 1.00 0.00 N ATOM 1075 CA SER A 74 26.031 7.746 -7.557 1.00 0.00 C ATOM 1076 C SER A 74 25.070 7.165 -8.591 1.00 0.00 C ATOM 1077 O SER A 74 25.071 7.571 -9.753 1.00 0.00 O ATOM 1078 CB SER A 74 27.356 6.982 -7.591 1.00 0.00 C ATOM 1079 OG SER A 74 28.228 7.428 -6.566 1.00 0.00 O ATOM 0 H SER A 74 25.993 7.153 -5.546 1.00 0.00 H new ATOM 0 HA SER A 74 26.216 8.791 -7.804 1.00 0.00 H new ATOM 0 HB2 SER A 74 27.167 5.915 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 74 27.832 7.117 -8.562 1.00 0.00 H new ATOM 0 HG SER A 74 29.067 6.923 -6.608 1.00 0.00 H new ATOM 1085 N VAL A 75 24.251 6.212 -8.158 1.00 0.00 N ATOM 1086 CA VAL A 75 23.284 5.575 -9.044 1.00 0.00 C ATOM 1087 C VAL A 75 23.738 5.649 -10.498 1.00 0.00 C ATOM 1088 O VAL A 75 23.000 6.115 -11.366 1.00 0.00 O ATOM 1089 CB VAL A 75 21.894 6.226 -8.918 1.00 0.00 C ATOM 1090 CG1 VAL A 75 21.207 5.774 -7.638 1.00 0.00 C ATOM 1091 CG2 VAL A 75 22.010 7.742 -8.965 1.00 0.00 C ATOM 0 H VAL A 75 24.238 5.864 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 75 23.217 4.530 -8.740 1.00 0.00 H new ATOM 0 HB VAL A 75 21.283 5.905 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.226 6.244 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 75 21.090 4.690 -7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 75 21.812 6.063 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 75 21.019 8.186 -8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.637 8.085 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 75 22.457 8.043 -9.912 1.00 0.00 H new ATOM 1101 N SER A 76 24.957 5.187 -10.756 1.00 0.00 N ATOM 1102 CA SER A 76 25.512 5.204 -12.104 1.00 0.00 C ATOM 1103 C SER A 76 25.233 3.887 -12.823 1.00 0.00 C ATOM 1104 O SER A 76 25.329 2.812 -12.232 1.00 0.00 O ATOM 1105 CB SER A 76 27.019 5.463 -12.055 1.00 0.00 C ATOM 1106 OG SER A 76 27.602 5.322 -13.339 1.00 0.00 O ATOM 0 H SER A 76 25.579 4.796 -10.049 1.00 0.00 H new ATOM 0 HA SER A 76 25.031 6.009 -12.659 1.00 0.00 H new ATOM 0 HB2 SER A 76 27.207 6.467 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 76 27.489 4.767 -11.360 1.00 0.00 H new ATOM 0 HG SER A 76 28.565 5.494 -13.282 1.00 0.00 H new ATOM 1112 N GLY A 77 24.889 3.981 -14.104 1.00 0.00 N ATOM 1113 CA GLY A 77 24.601 2.791 -14.883 1.00 0.00 C ATOM 1114 C GLY A 77 24.279 3.109 -16.330 1.00 0.00 C ATOM 1115 O GLY A 77 23.169 3.521 -16.665 1.00 0.00 O ATOM 0 H GLY A 77 24.805 4.859 -14.616 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.458 2.119 -14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.760 2.262 -14.435 1.00 0.00 H new ATOM 1119 N PRO A 78 25.268 2.918 -17.216 1.00 0.00 N ATOM 1120 CA PRO A 78 25.109 3.183 -18.649 1.00 0.00 C ATOM 1121 C PRO A 78 24.179 2.180 -19.323 1.00 0.00 C ATOM 1122 O PRO A 78 23.842 1.146 -18.747 1.00 0.00 O ATOM 1123 CB PRO A 78 26.532 3.043 -19.195 1.00 0.00 C ATOM 1124 CG PRO A 78 27.221 2.138 -18.233 1.00 0.00 C ATOM 1125 CD PRO A 78 26.618 2.429 -16.887 1.00 0.00 C ATOM 0 HA PRO A 78 24.660 4.158 -18.836 1.00 0.00 H new ATOM 0 HB2 PRO A 78 26.530 2.623 -20.201 1.00 0.00 H new ATOM 0 HB3 PRO A 78 27.030 4.011 -19.254 1.00 0.00 H new ATOM 0 HG2 PRO A 78 27.076 1.093 -18.508 1.00 0.00 H new ATOM 0 HG3 PRO A 78 28.296 2.320 -18.227 1.00 0.00 H new ATOM 0 HD2 PRO A 78 26.581 1.537 -16.262 1.00 0.00 H new ATOM 0 HD3 PRO A 78 27.194 3.176 -16.342 1.00 0.00 H new ATOM 1133 N SER A 79 23.768 2.493 -20.548 1.00 0.00 N ATOM 1134 CA SER A 79 22.873 1.621 -21.300 1.00 0.00 C ATOM 1135 C SER A 79 23.664 0.576 -22.082 1.00 0.00 C ATOM 1136 O SER A 79 23.346 0.274 -23.232 1.00 0.00 O ATOM 1137 CB SER A 79 22.009 2.444 -22.257 1.00 0.00 C ATOM 1138 OG SER A 79 22.811 3.178 -23.165 1.00 0.00 O ATOM 0 H SER A 79 24.040 3.344 -21.041 1.00 0.00 H new ATOM 0 HA SER A 79 22.226 1.106 -20.590 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.341 1.783 -22.809 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.380 3.128 -21.687 1.00 0.00 H new ATOM 0 HG SER A 79 22.235 3.694 -23.767 1.00 0.00 H new ATOM 1144 N SER A 80 24.696 0.028 -21.449 1.00 0.00 N ATOM 1145 CA SER A 80 25.536 -0.980 -22.085 1.00 0.00 C ATOM 1146 C SER A 80 26.188 -0.425 -23.347 1.00 0.00 C ATOM 1147 O SER A 80 26.240 -1.094 -24.379 1.00 0.00 O ATOM 1148 CB SER A 80 24.708 -2.220 -22.428 1.00 0.00 C ATOM 1149 OG SER A 80 25.519 -3.382 -22.455 1.00 0.00 O ATOM 0 H SER A 80 24.971 0.265 -20.496 1.00 0.00 H new ATOM 0 HA SER A 80 26.322 -1.259 -21.383 1.00 0.00 H new ATOM 0 HB2 SER A 80 23.912 -2.345 -21.693 1.00 0.00 H new ATOM 0 HB3 SER A 80 24.228 -2.084 -23.397 1.00 0.00 H new ATOM 0 HG SER A 80 24.967 -4.161 -22.675 1.00 0.00 H new ATOM 1155 N GLY A 81 26.686 0.804 -23.257 1.00 0.00 N ATOM 1156 CA GLY A 81 27.329 1.430 -24.398 1.00 0.00 C ATOM 1157 C GLY A 81 26.766 2.804 -24.700 1.00 0.00 C ATOM 1158 O GLY A 81 26.525 3.571 -23.768 1.00 0.00 O ATOM 0 H GLY A 81 26.656 1.378 -22.414 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.399 1.513 -24.207 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.210 0.792 -25.273 1.00 0.00 H new TER 1162 GLY A 81 HETATM 1163 ZN ZN A 201 -2.777 -2.140 -4.001 1.00 0.00 ZN HETATM 1164 ZN ZN A 401 13.829 3.013 -3.664 1.00 0.00 ZN