USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0647 (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 52:sc= 0.0815 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.36) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.00703 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.302 (180deg=-0.782) USER MOD Single : A 25 HIS : no HD1:sc= -0.837 K(o=-0.84,f=-3.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 90:sc= -0.694 USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 1.53 (180deg=0.5) USER MOD Single : A 36 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.37) USER MOD Single : A 39 ASN : amide:sc= -1.28 K(o=-1.3,f=-2!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 48 ASN : amide:sc=-0.00179 X(o=-0.0018,f=-0.082) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.665 USER MOD Single : A 54 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00104 K(o=-0.001,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -72:sc= 0.443 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.827 30.044 13.867 1.00 0.00 N ATOM 2 CA GLY A 1 -35.761 29.096 13.600 1.00 0.00 C ATOM 3 C GLY A 1 -36.269 27.674 13.468 1.00 0.00 C ATOM 4 O GLY A 1 -37.330 27.335 13.993 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.568 30.638 14.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.974 30.646 13.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.705 29.528 14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.247 29.381 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.027 29.143 14.405 1.00 0.00 H new ATOM 8 N SER A 2 -35.512 26.839 12.764 1.00 0.00 N ATOM 9 CA SER A 2 -35.894 25.447 12.559 1.00 0.00 C ATOM 10 C SER A 2 -34.668 24.539 12.578 1.00 0.00 C ATOM 11 O SER A 2 -33.598 24.912 12.097 1.00 0.00 O ATOM 12 CB SER A 2 -36.639 25.290 11.233 1.00 0.00 C ATOM 13 OG SER A 2 -36.873 26.550 10.627 1.00 0.00 O ATOM 0 H SER A 2 -34.630 27.103 12.326 1.00 0.00 H new ATOM 0 HA SER A 2 -36.555 25.153 13.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.058 24.661 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.589 24.783 11.404 1.00 0.00 H new ATOM 0 HG SER A 2 -37.349 26.422 9.780 1.00 0.00 H new ATOM 19 N SER A 3 -34.833 23.344 13.136 1.00 0.00 N ATOM 20 CA SER A 3 -33.740 22.383 13.221 1.00 0.00 C ATOM 21 C SER A 3 -33.814 21.374 12.079 1.00 0.00 C ATOM 22 O SER A 3 -33.663 20.171 12.287 1.00 0.00 O ATOM 23 CB SER A 3 -33.779 21.652 14.565 1.00 0.00 C ATOM 24 OG SER A 3 -33.835 22.570 15.643 1.00 0.00 O ATOM 0 H SER A 3 -35.713 23.018 13.536 1.00 0.00 H new ATOM 0 HA SER A 3 -32.801 22.930 13.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.646 20.993 14.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.895 21.022 14.666 1.00 0.00 H new ATOM 0 HG SER A 3 -33.861 22.078 16.490 1.00 0.00 H new ATOM 30 N GLY A 4 -34.047 21.875 10.869 1.00 0.00 N ATOM 31 CA GLY A 4 -34.137 21.005 9.711 1.00 0.00 C ATOM 32 C GLY A 4 -32.775 20.593 9.188 1.00 0.00 C ATOM 33 O GLY A 4 -32.443 20.850 8.031 1.00 0.00 O ATOM 0 H GLY A 4 -34.175 22.867 10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.707 20.114 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.688 21.514 8.920 1.00 0.00 H new ATOM 37 N SER A 5 -31.983 19.953 10.043 1.00 0.00 N ATOM 38 CA SER A 5 -30.647 19.510 9.663 1.00 0.00 C ATOM 39 C SER A 5 -30.120 18.467 10.644 1.00 0.00 C ATOM 40 O SER A 5 -29.429 18.799 11.607 1.00 0.00 O ATOM 41 CB SER A 5 -29.689 20.701 9.604 1.00 0.00 C ATOM 42 OG SER A 5 -29.855 21.546 10.729 1.00 0.00 O ATOM 0 H SER A 5 -32.244 19.730 11.004 1.00 0.00 H new ATOM 0 HA SER A 5 -30.710 19.054 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.660 20.343 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.865 21.268 8.690 1.00 0.00 H new ATOM 0 HG SER A 5 -29.807 21.012 11.549 1.00 0.00 H new ATOM 48 N SER A 6 -30.453 17.205 10.392 1.00 0.00 N ATOM 49 CA SER A 6 -30.018 16.113 11.255 1.00 0.00 C ATOM 50 C SER A 6 -29.473 14.952 10.428 1.00 0.00 C ATOM 51 O SER A 6 -30.231 14.124 9.925 1.00 0.00 O ATOM 52 CB SER A 6 -31.178 15.632 12.129 1.00 0.00 C ATOM 53 OG SER A 6 -31.033 16.086 13.463 1.00 0.00 O ATOM 0 H SER A 6 -31.022 16.914 9.597 1.00 0.00 H new ATOM 0 HA SER A 6 -29.220 16.485 11.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.121 15.994 11.719 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.221 14.543 12.115 1.00 0.00 H new ATOM 0 HG SER A 6 -31.787 15.767 14.001 1.00 0.00 H new ATOM 59 N GLY A 7 -28.151 14.899 10.293 1.00 0.00 N ATOM 60 CA GLY A 7 -27.526 13.837 9.528 1.00 0.00 C ATOM 61 C GLY A 7 -26.240 14.283 8.860 1.00 0.00 C ATOM 62 O GLY A 7 -26.257 14.780 7.734 1.00 0.00 O ATOM 0 H GLY A 7 -27.502 15.573 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.316 12.994 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.222 13.482 8.768 1.00 0.00 H new ATOM 66 N ARG A 8 -25.122 14.107 9.556 1.00 0.00 N ATOM 67 CA ARG A 8 -23.821 14.498 9.025 1.00 0.00 C ATOM 68 C ARG A 8 -22.933 13.276 8.808 1.00 0.00 C ATOM 69 O ARG A 8 -22.986 12.314 9.574 1.00 0.00 O ATOM 70 CB ARG A 8 -23.133 15.480 9.975 1.00 0.00 C ATOM 71 CG ARG A 8 -23.297 16.935 9.570 1.00 0.00 C ATOM 72 CD ARG A 8 -22.033 17.735 9.842 1.00 0.00 C ATOM 73 NE ARG A 8 -21.974 18.214 11.221 1.00 0.00 N ATOM 74 CZ ARG A 8 -22.655 19.265 11.663 1.00 0.00 C ATOM 75 NH1 ARG A 8 -23.442 19.944 10.840 1.00 0.00 N ATOM 76 NH2 ARG A 8 -22.549 19.639 12.932 1.00 0.00 N ATOM 0 H ARG A 8 -25.090 13.696 10.489 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.980 14.985 8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.535 15.344 10.979 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.070 15.242 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.545 16.993 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.131 17.374 10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.160 17.115 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.988 18.585 9.161 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.377 17.714 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.526 19.660 9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -23.964 20.751 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.944 19.119 13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -23.072 20.446 13.271 1.00 0.00 H new ATOM 90 N ASN A 9 -22.119 13.322 7.759 1.00 0.00 N ATOM 91 CA ASN A 9 -21.220 12.218 7.440 1.00 0.00 C ATOM 92 C ASN A 9 -20.008 12.713 6.657 1.00 0.00 C ATOM 93 O ASN A 9 -20.129 13.573 5.784 1.00 0.00 O ATOM 94 CB ASN A 9 -21.959 11.147 6.636 1.00 0.00 C ATOM 95 CG ASN A 9 -22.721 10.181 7.522 1.00 0.00 C ATOM 96 OD1 ASN A 9 -22.153 9.578 8.433 1.00 0.00 O ATOM 97 ND2 ASN A 9 -24.014 10.030 7.259 1.00 0.00 N ATOM 0 H ASN A 9 -22.063 14.111 7.115 1.00 0.00 H new ATOM 0 HA ASN A 9 -20.872 11.783 8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -22.653 11.628 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.242 10.592 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -24.578 9.394 7.822 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -24.443 10.550 6.494 1.00 0.00 H new ATOM 104 N ASP A 10 -18.841 12.164 6.974 1.00 0.00 N ATOM 105 CA ASP A 10 -17.606 12.547 6.300 1.00 0.00 C ATOM 106 C ASP A 10 -16.469 11.599 6.666 1.00 0.00 C ATOM 107 O ASP A 10 -16.648 10.674 7.460 1.00 0.00 O ATOM 108 CB ASP A 10 -17.226 13.984 6.663 1.00 0.00 C ATOM 109 CG ASP A 10 -17.495 14.302 8.121 1.00 0.00 C ATOM 110 OD1 ASP A 10 -16.881 13.653 8.993 1.00 0.00 O ATOM 111 OD2 ASP A 10 -18.319 15.202 8.389 1.00 0.00 O ATOM 0 H ASP A 10 -18.724 11.451 7.694 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.774 12.484 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.169 14.143 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.787 14.675 6.034 1.00 0.00 H new ATOM 116 N THR A 11 -15.298 11.833 6.082 1.00 0.00 N ATOM 117 CA THR A 11 -14.132 10.999 6.345 1.00 0.00 C ATOM 118 C THR A 11 -13.017 11.804 7.001 1.00 0.00 C ATOM 119 O THR A 11 -12.630 12.863 6.507 1.00 0.00 O ATOM 120 CB THR A 11 -13.595 10.360 5.051 1.00 0.00 C ATOM 121 OG1 THR A 11 -13.586 11.326 3.994 1.00 0.00 O ATOM 122 CG2 THR A 11 -14.445 9.165 4.645 1.00 0.00 C ATOM 0 H THR A 11 -15.132 12.594 5.423 1.00 0.00 H new ATOM 0 HA THR A 11 -14.455 10.210 7.024 1.00 0.00 H new ATOM 0 HB THR A 11 -12.577 10.016 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.288 12.192 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.047 8.730 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.426 8.419 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.472 9.489 4.476 1.00 0.00 H new ATOM 130 N GLU A 12 -12.503 11.296 8.117 1.00 0.00 N ATOM 131 CA GLU A 12 -11.431 11.969 8.840 1.00 0.00 C ATOM 132 C GLU A 12 -10.864 11.070 9.934 1.00 0.00 C ATOM 133 O GLU A 12 -11.337 9.952 10.143 1.00 0.00 O ATOM 134 CB GLU A 12 -11.942 13.276 9.453 1.00 0.00 C ATOM 135 CG GLU A 12 -13.117 13.087 10.397 1.00 0.00 C ATOM 136 CD GLU A 12 -13.041 13.992 11.611 1.00 0.00 C ATOM 137 OE1 GLU A 12 -13.051 15.228 11.430 1.00 0.00 O ATOM 138 OE2 GLU A 12 -12.971 13.466 12.741 1.00 0.00 O ATOM 0 H GLU A 12 -12.812 10.421 8.540 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.635 12.195 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.127 13.757 9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.236 13.953 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.045 13.283 9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.152 12.048 10.725 1.00 0.00 H new ATOM 145 N CYS A 13 -9.846 11.565 10.630 1.00 0.00 N ATOM 146 CA CYS A 13 -9.211 10.807 11.702 1.00 0.00 C ATOM 147 C CYS A 13 -9.262 11.579 13.018 1.00 0.00 C ATOM 148 O CYS A 13 -8.853 12.739 13.085 1.00 0.00 O ATOM 149 CB CYS A 13 -7.759 10.489 11.341 1.00 0.00 C ATOM 150 SG CYS A 13 -6.985 9.233 12.409 1.00 0.00 S ATOM 0 H CYS A 13 -9.443 12.488 10.471 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.760 9.873 11.826 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.720 10.145 10.307 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.173 11.407 11.394 1.00 0.00 H new ATOM 155 N ASP A 14 -9.766 10.928 14.060 1.00 0.00 N ATOM 156 CA ASP A 14 -9.869 11.553 15.374 1.00 0.00 C ATOM 157 C ASP A 14 -8.625 11.267 16.210 1.00 0.00 C ATOM 158 O ASP A 14 -8.274 12.039 17.104 1.00 0.00 O ATOM 159 CB ASP A 14 -11.115 11.050 16.105 1.00 0.00 C ATOM 160 CG ASP A 14 -12.365 11.811 15.706 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.465 13.008 16.047 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.242 11.208 15.054 1.00 0.00 O ATOM 0 H ASP A 14 -10.110 9.968 14.021 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.950 12.631 15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.255 9.990 15.893 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.964 11.142 17.181 1.00 0.00 H new ATOM 167 N LEU A 15 -7.962 10.154 15.915 1.00 0.00 N ATOM 168 CA LEU A 15 -6.757 9.766 16.640 1.00 0.00 C ATOM 169 C LEU A 15 -5.720 10.884 16.610 1.00 0.00 C ATOM 170 O LEU A 15 -4.988 11.092 17.578 1.00 0.00 O ATOM 171 CB LEU A 15 -6.166 8.490 16.039 1.00 0.00 C ATOM 172 CG LEU A 15 -7.012 7.224 16.186 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.539 6.775 14.832 1.00 0.00 C ATOM 174 CD2 LEU A 15 -6.202 6.115 16.840 1.00 0.00 C ATOM 0 H LEU A 15 -8.239 9.504 15.179 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.031 9.578 17.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.986 8.662 14.978 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.196 8.310 16.502 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.864 7.451 16.827 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.139 5.873 14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.155 7.564 14.402 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.701 6.565 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.819 5.222 16.937 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.331 5.889 16.225 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.874 6.438 17.828 1.00 0.00 H new ATOM 186 N CYS A 16 -5.664 11.603 15.494 1.00 0.00 N ATOM 187 CA CYS A 16 -4.719 12.701 15.338 1.00 0.00 C ATOM 188 C CYS A 16 -5.450 14.016 15.082 1.00 0.00 C ATOM 189 O CYS A 16 -5.019 15.076 15.534 1.00 0.00 O ATOM 190 CB CYS A 16 -3.753 12.410 14.188 1.00 0.00 C ATOM 191 SG CYS A 16 -4.572 11.991 12.616 1.00 0.00 S ATOM 0 H CYS A 16 -6.263 11.444 14.684 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.153 12.795 16.265 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.117 13.281 14.033 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.100 11.586 14.476 1.00 0.00 H new ATOM 196 N GLY A 17 -6.559 13.938 14.354 1.00 0.00 N ATOM 197 CA GLY A 17 -7.333 15.128 14.051 1.00 0.00 C ATOM 198 C GLY A 17 -7.202 15.551 12.601 1.00 0.00 C ATOM 199 O GLY A 17 -8.084 16.215 12.058 1.00 0.00 O ATOM 0 H GLY A 17 -6.936 13.072 13.968 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.383 14.943 14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.006 15.944 14.695 1.00 0.00 H new ATOM 203 N GLY A 18 -6.095 15.167 11.971 1.00 0.00 N ATOM 204 CA GLY A 18 -5.871 15.521 10.582 1.00 0.00 C ATOM 205 C GLY A 18 -4.743 16.519 10.412 1.00 0.00 C ATOM 206 O GLY A 18 -4.943 17.607 9.873 1.00 0.00 O ATOM 0 H GLY A 18 -5.350 14.617 12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.643 14.620 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.787 15.939 10.165 1.00 0.00 H new ATOM 210 N ASP A 19 -3.554 16.149 10.875 1.00 0.00 N ATOM 211 CA ASP A 19 -2.389 17.020 10.773 1.00 0.00 C ATOM 212 C ASP A 19 -1.098 16.208 10.816 1.00 0.00 C ATOM 213 O ASP A 19 -1.048 15.105 11.361 1.00 0.00 O ATOM 214 CB ASP A 19 -2.396 18.051 11.902 1.00 0.00 C ATOM 215 CG ASP A 19 -2.561 19.469 11.390 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.660 19.797 10.897 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.590 20.250 11.481 1.00 0.00 O ATOM 0 H ASP A 19 -3.372 15.252 11.325 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.438 17.540 9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.206 17.821 12.595 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.465 17.977 12.464 1.00 0.00 H new ATOM 222 N PRO A 20 -0.028 16.764 10.229 1.00 0.00 N ATOM 223 CA PRO A 20 1.282 16.109 10.187 1.00 0.00 C ATOM 224 C PRO A 20 1.945 16.049 11.559 1.00 0.00 C ATOM 225 O PRO A 20 2.427 14.998 11.980 1.00 0.00 O ATOM 226 CB PRO A 20 2.093 16.997 9.240 1.00 0.00 C ATOM 227 CG PRO A 20 1.447 18.336 9.331 1.00 0.00 C ATOM 228 CD PRO A 20 -0.016 18.076 9.560 1.00 0.00 C ATOM 0 HA PRO A 20 1.208 15.071 9.862 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.140 17.042 9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.068 16.614 8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.872 18.919 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.603 18.907 8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.469 18.848 10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.572 18.054 8.623 1.00 0.00 H new ATOM 236 N GLU A 21 1.964 17.184 12.252 1.00 0.00 N ATOM 237 CA GLU A 21 2.568 17.259 13.577 1.00 0.00 C ATOM 238 C GLU A 21 1.904 16.273 14.534 1.00 0.00 C ATOM 239 O GLU A 21 2.579 15.575 15.292 1.00 0.00 O ATOM 240 CB GLU A 21 2.457 18.680 14.132 1.00 0.00 C ATOM 241 CG GLU A 21 1.036 19.218 14.149 1.00 0.00 C ATOM 242 CD GLU A 21 0.986 20.730 14.248 1.00 0.00 C ATOM 243 OE1 GLU A 21 1.217 21.260 15.355 1.00 0.00 O ATOM 244 OE2 GLU A 21 0.714 21.383 13.219 1.00 0.00 O ATOM 0 H GLU A 21 1.568 18.063 11.918 1.00 0.00 H new ATOM 0 HA GLU A 21 3.621 16.995 13.484 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.855 18.697 15.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.081 19.344 13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.520 18.900 13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.497 18.784 14.992 1.00 0.00 H new ATOM 251 N LYS A 22 0.577 16.222 14.495 1.00 0.00 N ATOM 252 CA LYS A 22 -0.181 15.323 15.357 1.00 0.00 C ATOM 253 C LYS A 22 0.148 13.866 15.046 1.00 0.00 C ATOM 254 O LYS A 22 -0.390 13.286 14.103 1.00 0.00 O ATOM 255 CB LYS A 22 -1.682 15.566 15.188 1.00 0.00 C ATOM 256 CG LYS A 22 -2.092 17.013 15.403 1.00 0.00 C ATOM 257 CD LYS A 22 -2.992 17.162 16.618 1.00 0.00 C ATOM 258 CE LYS A 22 -2.864 18.545 17.240 1.00 0.00 C ATOM 259 NZ LYS A 22 -2.525 18.472 18.688 1.00 0.00 N ATOM 0 H LYS A 22 0.003 16.794 13.875 1.00 0.00 H new ATOM 0 HA LYS A 22 0.099 15.528 16.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.981 15.257 14.186 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.225 14.935 15.891 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.202 17.629 15.530 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.610 17.381 14.518 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.028 16.987 16.328 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.735 16.404 17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.094 19.110 16.715 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.800 19.089 17.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.447 19.434 19.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.272 17.955 19.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.619 17.976 18.808 1.00 0.00 H new ATOM 273 N LYS A 23 1.032 13.280 15.846 1.00 0.00 N ATOM 274 CA LYS A 23 1.430 11.890 15.659 1.00 0.00 C ATOM 275 C LYS A 23 0.217 10.967 15.696 1.00 0.00 C ATOM 276 O LYS A 23 -0.699 11.159 16.496 1.00 0.00 O ATOM 277 CB LYS A 23 2.433 11.475 16.738 1.00 0.00 C ATOM 278 CG LYS A 23 3.673 10.794 16.187 1.00 0.00 C ATOM 279 CD LYS A 23 4.912 11.653 16.374 1.00 0.00 C ATOM 280 CE LYS A 23 5.515 11.468 17.758 1.00 0.00 C ATOM 281 NZ LYS A 23 4.792 12.263 18.789 1.00 0.00 N ATOM 0 H LYS A 23 1.487 13.747 16.631 1.00 0.00 H new ATOM 0 HA LYS A 23 1.902 11.802 14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.734 12.358 17.301 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.941 10.802 17.440 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.815 9.836 16.687 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.532 10.583 15.127 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.652 11.396 15.616 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.655 12.702 16.225 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.487 10.412 18.028 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.564 11.765 17.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.376 12.331 19.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.603 13.217 18.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.892 11.796 19.019 1.00 0.00 H new ATOM 295 N CYS A 24 0.216 9.963 14.825 1.00 0.00 N ATOM 296 CA CYS A 24 -0.884 9.008 14.759 1.00 0.00 C ATOM 297 C CYS A 24 -0.358 7.579 14.651 1.00 0.00 C ATOM 298 O CYS A 24 0.775 7.353 14.224 1.00 0.00 O ATOM 299 CB CYS A 24 -1.787 9.322 13.565 1.00 0.00 C ATOM 300 SG CYS A 24 -3.483 8.676 13.726 1.00 0.00 S ATOM 0 H CYS A 24 0.965 9.790 14.155 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.464 9.095 15.678 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.832 10.403 13.432 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.336 8.908 12.663 1.00 0.00 H new ATOM 305 N HIS A 25 -1.190 6.618 15.040 1.00 0.00 N ATOM 306 CA HIS A 25 -0.810 5.211 14.986 1.00 0.00 C ATOM 307 C HIS A 25 -1.455 4.520 13.788 1.00 0.00 C ATOM 308 O HIS A 25 -0.929 3.534 13.272 1.00 0.00 O ATOM 309 CB HIS A 25 -1.216 4.501 16.278 1.00 0.00 C ATOM 310 CG HIS A 25 -0.069 4.246 17.207 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.030 3.491 16.856 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.146 4.651 18.480 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.871 3.441 17.873 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.358 4.138 18.872 1.00 0.00 N ATOM 0 H HIS A 25 -2.131 6.788 15.396 1.00 0.00 H new ATOM 0 HA HIS A 25 0.273 5.157 14.875 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.964 5.103 16.794 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.688 3.551 16.028 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.513 5.264 19.077 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.817 2.920 17.886 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.792 4.273 19.785 1.00 0.00 H new ATOM 322 N SER A 26 -2.596 5.043 13.353 1.00 0.00 N ATOM 323 CA SER A 26 -3.315 4.474 12.219 1.00 0.00 C ATOM 324 C SER A 26 -2.800 5.051 10.904 1.00 0.00 C ATOM 325 O SER A 26 -2.389 4.314 10.007 1.00 0.00 O ATOM 326 CB SER A 26 -4.815 4.740 12.353 1.00 0.00 C ATOM 327 OG SER A 26 -5.523 4.248 11.228 1.00 0.00 O ATOM 0 H SER A 26 -3.043 5.860 13.769 1.00 0.00 H new ATOM 0 HA SER A 26 -3.143 3.398 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.192 4.266 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.990 5.811 12.457 1.00 0.00 H new ATOM 0 HG SER A 26 -6.480 4.429 11.339 1.00 0.00 H new ATOM 333 N CYS A 27 -2.824 6.375 10.797 1.00 0.00 N ATOM 334 CA CYS A 27 -2.361 7.054 9.593 1.00 0.00 C ATOM 335 C CYS A 27 -0.926 6.653 9.260 1.00 0.00 C ATOM 336 O CYS A 27 -0.508 6.707 8.103 1.00 0.00 O ATOM 337 CB CYS A 27 -2.450 8.571 9.771 1.00 0.00 C ATOM 338 SG CYS A 27 -4.141 9.190 10.046 1.00 0.00 S ATOM 0 H CYS A 27 -3.160 7.000 11.530 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.005 6.754 8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.826 8.864 10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.037 9.055 8.886 1.00 0.00 H new ATOM 343 N SER A 28 -0.178 6.251 10.282 1.00 0.00 N ATOM 344 CA SER A 28 1.210 5.844 10.099 1.00 0.00 C ATOM 345 C SER A 28 1.463 4.478 10.729 1.00 0.00 C ATOM 346 O SER A 28 0.529 3.785 11.134 1.00 0.00 O ATOM 347 CB SER A 28 2.153 6.883 10.711 1.00 0.00 C ATOM 348 OG SER A 28 3.086 7.351 9.754 1.00 0.00 O ATOM 0 H SER A 28 -0.510 6.198 11.245 1.00 0.00 H new ATOM 0 HA SER A 28 1.404 5.773 9.029 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.574 7.721 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.683 6.444 11.556 1.00 0.00 H new ATOM 0 HG SER A 28 2.716 8.131 9.291 1.00 0.00 H new ATOM 354 N CYS A 29 2.734 4.096 10.807 1.00 0.00 N ATOM 355 CA CYS A 29 3.112 2.812 11.386 1.00 0.00 C ATOM 356 C CYS A 29 2.490 2.634 12.768 1.00 0.00 C ATOM 357 O CYS A 29 2.653 3.480 13.647 1.00 0.00 O ATOM 358 CB CYS A 29 4.635 2.702 11.483 1.00 0.00 C ATOM 359 SG CYS A 29 5.236 1.029 11.880 1.00 0.00 S ATOM 0 H CYS A 29 3.519 4.657 10.477 1.00 0.00 H new ATOM 0 HA CYS A 29 2.737 2.023 10.734 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.072 3.018 10.536 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.991 3.395 12.246 1.00 0.00 H new ATOM 364 N ARG A 30 1.777 1.528 12.951 1.00 0.00 N ATOM 365 CA ARG A 30 1.129 1.239 14.225 1.00 0.00 C ATOM 366 C ARG A 30 2.022 0.367 15.103 1.00 0.00 C ATOM 367 O ARG A 30 1.829 0.286 16.316 1.00 0.00 O ATOM 368 CB ARG A 30 -0.213 0.542 13.993 1.00 0.00 C ATOM 369 CG ARG A 30 -1.256 0.862 15.051 1.00 0.00 C ATOM 370 CD ARG A 30 -2.554 1.347 14.424 1.00 0.00 C ATOM 371 NE ARG A 30 -3.726 0.762 15.070 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.082 -0.510 14.933 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.360 -1.326 14.178 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.162 -0.968 15.553 1.00 0.00 N ATOM 0 H ARG A 30 1.633 0.817 12.234 1.00 0.00 H new ATOM 0 HA ARG A 30 0.955 2.185 14.738 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.599 0.831 13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.053 -0.536 13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.451 -0.026 15.652 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.869 1.625 15.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.606 2.434 14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.561 1.095 13.364 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.303 1.363 15.659 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.529 -0.977 13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.636 -2.303 14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.719 -0.343 16.135 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.435 -1.945 15.447 1.00 0.00 H new ATOM 388 N VAL A 31 3.000 -0.285 14.482 1.00 0.00 N ATOM 389 CA VAL A 31 3.923 -1.150 15.206 1.00 0.00 C ATOM 390 C VAL A 31 4.850 -0.337 16.102 1.00 0.00 C ATOM 391 O VAL A 31 4.698 -0.325 17.324 1.00 0.00 O ATOM 392 CB VAL A 31 4.773 -1.997 14.241 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.765 -2.854 15.013 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.879 -2.862 13.364 1.00 0.00 C ATOM 0 H VAL A 31 3.173 -0.230 13.478 1.00 0.00 H new ATOM 0 HA VAL A 31 3.317 -1.814 15.822 1.00 0.00 H new ATOM 0 HB VAL A 31 5.337 -1.324 13.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.356 -3.445 14.314 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.426 -2.211 15.594 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.224 -3.521 15.685 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.496 -3.454 12.688 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.287 -3.528 13.992 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.213 -2.224 12.783 1.00 0.00 H new ATOM 404 N CYS A 32 5.812 0.343 15.487 1.00 0.00 N ATOM 405 CA CYS A 32 6.765 1.161 16.227 1.00 0.00 C ATOM 406 C CYS A 32 6.151 2.505 16.605 1.00 0.00 C ATOM 407 O CYS A 32 6.561 3.136 17.578 1.00 0.00 O ATOM 408 CB CYS A 32 8.032 1.381 15.398 1.00 0.00 C ATOM 409 SG CYS A 32 7.811 2.516 13.991 1.00 0.00 S ATOM 0 H CYS A 32 5.952 0.343 14.477 1.00 0.00 H new ATOM 0 HA CYS A 32 7.026 0.631 17.143 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.815 1.772 16.047 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.380 0.418 15.023 1.00 0.00 H new ATOM 414 N GLY A 33 5.163 2.938 15.827 1.00 0.00 N ATOM 415 CA GLY A 33 4.508 4.205 16.096 1.00 0.00 C ATOM 416 C GLY A 33 5.287 5.387 15.553 1.00 0.00 C ATOM 417 O GLY A 33 5.363 6.435 16.192 1.00 0.00 O ATOM 0 H GLY A 33 4.805 2.434 15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.512 4.196 15.654 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.379 4.322 17.172 1.00 0.00 H new ATOM 421 N GLY A 34 5.868 5.218 14.369 1.00 0.00 N ATOM 422 CA GLY A 34 6.639 6.287 13.762 1.00 0.00 C ATOM 423 C GLY A 34 5.896 6.965 12.628 1.00 0.00 C ATOM 424 O GLY A 34 5.083 6.340 11.947 1.00 0.00 O ATOM 0 H GLY A 34 5.818 4.360 13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.890 7.027 14.522 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.580 5.885 13.387 1.00 0.00 H new ATOM 428 N LYS A 35 6.174 8.248 12.424 1.00 0.00 N ATOM 429 CA LYS A 35 5.526 9.013 11.366 1.00 0.00 C ATOM 430 C LYS A 35 6.550 9.512 10.351 1.00 0.00 C ATOM 431 O LYS A 35 6.465 10.644 9.873 1.00 0.00 O ATOM 432 CB LYS A 35 4.762 10.199 11.959 1.00 0.00 C ATOM 433 CG LYS A 35 3.563 10.626 11.130 1.00 0.00 C ATOM 434 CD LYS A 35 2.596 11.471 11.942 1.00 0.00 C ATOM 435 CE LYS A 35 1.202 11.463 11.332 1.00 0.00 C ATOM 436 NZ LYS A 35 0.526 12.782 11.478 1.00 0.00 N ATOM 0 H LYS A 35 6.845 8.780 12.978 1.00 0.00 H new ATOM 0 HA LYS A 35 4.823 8.355 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.425 9.938 12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.442 11.044 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.902 11.192 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.047 9.743 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.550 11.093 12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.964 12.495 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.269 11.204 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.600 10.691 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.177 12.898 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.050 12.828 12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.232 13.543 11.414 1.00 0.00 H new ATOM 450 N HIS A 36 7.516 8.660 10.024 1.00 0.00 N ATOM 451 CA HIS A 36 8.555 9.013 9.063 1.00 0.00 C ATOM 452 C HIS A 36 8.596 8.011 7.913 1.00 0.00 C ATOM 453 O HIS A 36 7.986 6.945 7.986 1.00 0.00 O ATOM 454 CB HIS A 36 9.919 9.072 9.753 1.00 0.00 C ATOM 455 CG HIS A 36 10.196 7.891 10.632 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.731 7.790 11.926 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.895 6.756 10.395 1.00 0.00 C ATOM 458 CE1 HIS A 36 10.133 6.645 12.448 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.841 5.999 11.539 1.00 0.00 N ATOM 0 H HIS A 36 7.601 7.720 10.410 1.00 0.00 H new ATOM 0 HA HIS A 36 8.319 9.996 8.656 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.698 9.141 8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.976 9.981 10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.401 6.495 9.477 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.919 6.296 13.448 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.277 5.086 11.666 1.00 0.00 H new ATOM 467 N GLU A 37 9.318 8.363 6.854 1.00 0.00 N ATOM 468 CA GLU A 37 9.436 7.494 5.689 1.00 0.00 C ATOM 469 C GLU A 37 8.063 7.181 5.102 1.00 0.00 C ATOM 470 O GLU A 37 7.601 6.039 5.112 1.00 0.00 O ATOM 471 CB GLU A 37 10.151 6.194 6.064 1.00 0.00 C ATOM 472 CG GLU A 37 11.586 6.398 6.520 1.00 0.00 C ATOM 473 CD GLU A 37 12.580 6.298 5.379 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.224 6.680 4.245 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.715 5.837 5.622 1.00 0.00 O ATOM 0 H GLU A 37 9.829 9.242 6.779 1.00 0.00 H new ATOM 0 HA GLU A 37 10.023 8.018 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.593 5.699 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.144 5.524 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.678 7.376 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.832 5.654 7.278 1.00 0.00 H new ATOM 482 N PRO A 38 7.393 8.218 4.579 1.00 0.00 N ATOM 483 CA PRO A 38 6.063 8.080 3.978 1.00 0.00 C ATOM 484 C PRO A 38 6.099 7.312 2.661 1.00 0.00 C ATOM 485 O PRO A 38 5.075 6.813 2.195 1.00 0.00 O ATOM 486 CB PRO A 38 5.628 9.528 3.741 1.00 0.00 C ATOM 487 CG PRO A 38 6.902 10.291 3.621 1.00 0.00 C ATOM 488 CD PRO A 38 7.882 9.606 4.533 1.00 0.00 C ATOM 0 HA PRO A 38 5.384 7.516 4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.026 9.618 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.020 9.899 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.261 10.292 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.762 11.333 3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.899 9.661 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.894 10.061 5.524 1.00 0.00 H new ATOM 496 N ASN A 39 7.284 7.222 2.066 1.00 0.00 N ATOM 497 CA ASN A 39 7.452 6.515 0.802 1.00 0.00 C ATOM 498 C ASN A 39 7.573 5.011 1.031 1.00 0.00 C ATOM 499 O ASN A 39 7.215 4.211 0.168 1.00 0.00 O ATOM 500 CB ASN A 39 8.690 7.031 0.066 1.00 0.00 C ATOM 501 CG ASN A 39 9.970 6.389 0.565 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.521 5.495 -0.077 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.449 6.843 1.718 1.00 0.00 N ATOM 0 H ASN A 39 8.141 7.630 2.439 1.00 0.00 H new ATOM 0 HA ASN A 39 6.569 6.701 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.582 6.837 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.758 8.112 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.307 6.449 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.959 7.586 2.217 1.00 0.00 H new ATOM 510 N MET A 40 8.081 4.636 2.201 1.00 0.00 N ATOM 511 CA MET A 40 8.247 3.229 2.545 1.00 0.00 C ATOM 512 C MET A 40 7.091 2.740 3.412 1.00 0.00 C ATOM 513 O MET A 40 7.244 1.803 4.195 1.00 0.00 O ATOM 514 CB MET A 40 9.574 3.014 3.276 1.00 0.00 C ATOM 515 CG MET A 40 10.795 3.281 2.410 1.00 0.00 C ATOM 516 SD MET A 40 12.272 3.635 3.382 1.00 0.00 S ATOM 517 CE MET A 40 12.930 1.985 3.610 1.00 0.00 C ATOM 0 H MET A 40 8.384 5.286 2.926 1.00 0.00 H new ATOM 0 HA MET A 40 8.252 2.653 1.620 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.608 3.666 4.149 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.616 1.988 3.642 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.982 2.415 1.775 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.590 4.123 1.749 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.848 2.037 4.195 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.199 1.371 4.136 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.144 1.541 2.638 1.00 0.00 H new ATOM 527 N GLN A 41 5.936 3.382 3.266 1.00 0.00 N ATOM 528 CA GLN A 41 4.755 3.012 4.037 1.00 0.00 C ATOM 529 C GLN A 41 3.753 2.257 3.170 1.00 0.00 C ATOM 530 O GLN A 41 3.381 2.717 2.089 1.00 0.00 O ATOM 531 CB GLN A 41 4.097 4.259 4.631 1.00 0.00 C ATOM 532 CG GLN A 41 4.542 4.563 6.052 1.00 0.00 C ATOM 533 CD GLN A 41 4.237 5.990 6.466 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.132 6.741 6.854 1.00 0.00 O ATOM 535 NE2 GLN A 41 2.967 6.371 6.385 1.00 0.00 N ATOM 0 H GLN A 41 5.793 4.160 2.622 1.00 0.00 H new ATOM 0 HA GLN A 41 5.072 2.356 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.324 5.116 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.015 4.130 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.047 3.876 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.614 4.384 6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.258 5.715 6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.701 7.319 6.650 1.00 0.00 H new ATOM 544 N LEU A 42 3.319 1.097 3.650 1.00 0.00 N ATOM 545 CA LEU A 42 2.359 0.277 2.918 1.00 0.00 C ATOM 546 C LEU A 42 0.948 0.473 3.465 1.00 0.00 C ATOM 547 O LEU A 42 0.718 0.368 4.670 1.00 0.00 O ATOM 548 CB LEU A 42 2.751 -1.199 3.002 1.00 0.00 C ATOM 549 CG LEU A 42 4.245 -1.504 2.893 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.512 -2.973 3.180 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.768 -1.124 1.515 1.00 0.00 C ATOM 0 H LEU A 42 3.616 0.703 4.543 1.00 0.00 H new ATOM 0 HA LEU A 42 2.371 0.590 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.387 -1.597 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.232 -1.738 2.209 1.00 0.00 H new ATOM 0 HG LEU A 42 4.773 -0.908 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.581 -3.171 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.175 -3.214 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.972 -3.588 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.833 -1.348 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.234 -1.693 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.612 -0.058 1.348 1.00 0.00 H new ATOM 563 N LEU A 43 0.007 0.755 2.571 1.00 0.00 N ATOM 564 CA LEU A 43 -1.383 0.962 2.962 1.00 0.00 C ATOM 565 C LEU A 43 -2.206 -0.302 2.740 1.00 0.00 C ATOM 566 O LEU A 43 -2.037 -0.998 1.738 1.00 0.00 O ATOM 567 CB LEU A 43 -1.988 2.124 2.172 1.00 0.00 C ATOM 568 CG LEU A 43 -2.516 3.296 3.000 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.761 2.886 3.772 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.441 3.806 3.949 1.00 0.00 C ATOM 0 H LEU A 43 0.181 0.846 1.570 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.403 1.204 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.231 2.503 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.806 1.737 1.564 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.785 4.104 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.123 3.733 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.535 2.570 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.519 2.061 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.835 4.640 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.140 3.004 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.577 4.140 3.374 1.00 0.00 H new ATOM 582 N CYS A 44 -3.098 -0.594 3.680 1.00 0.00 N ATOM 583 CA CYS A 44 -3.950 -1.774 3.587 1.00 0.00 C ATOM 584 C CYS A 44 -5.179 -1.491 2.729 1.00 0.00 C ATOM 585 O CYS A 44 -5.721 -0.385 2.747 1.00 0.00 O ATOM 586 CB CYS A 44 -4.383 -2.227 4.983 1.00 0.00 C ATOM 587 SG CYS A 44 -5.442 -3.709 4.988 1.00 0.00 S ATOM 0 H CYS A 44 -3.250 -0.029 4.516 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.375 -2.571 3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.494 -2.427 5.581 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.917 -1.410 5.469 1.00 0.00 H new ATOM 592 N ASP A 45 -5.614 -2.497 1.979 1.00 0.00 N ATOM 593 CA ASP A 45 -6.780 -2.358 1.114 1.00 0.00 C ATOM 594 C ASP A 45 -8.040 -2.855 1.816 1.00 0.00 C ATOM 595 O ASP A 45 -8.913 -3.457 1.192 1.00 0.00 O ATOM 596 CB ASP A 45 -6.570 -3.130 -0.190 1.00 0.00 C ATOM 597 CG ASP A 45 -6.999 -2.337 -1.408 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.599 -1.159 -1.520 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.735 -2.893 -2.250 1.00 0.00 O ATOM 0 H ASP A 45 -5.177 -3.418 1.952 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.907 -1.300 0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.517 -3.396 -0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.132 -4.063 -0.151 1.00 0.00 H new ATOM 604 N GLU A 46 -8.125 -2.600 3.118 1.00 0.00 N ATOM 605 CA GLU A 46 -9.278 -3.023 3.905 1.00 0.00 C ATOM 606 C GLU A 46 -9.541 -2.051 5.051 1.00 0.00 C ATOM 607 O GLU A 46 -10.617 -1.460 5.144 1.00 0.00 O ATOM 608 CB GLU A 46 -9.056 -4.432 4.458 1.00 0.00 C ATOM 609 CG GLU A 46 -10.308 -5.060 5.046 1.00 0.00 C ATOM 610 CD GLU A 46 -11.424 -5.197 4.028 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.146 -5.061 2.819 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.577 -5.441 4.443 1.00 0.00 O ATOM 0 H GLU A 46 -7.410 -2.103 3.650 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.150 -3.030 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.680 -5.071 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.284 -4.394 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.063 -6.044 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.656 -4.454 5.882 1.00 0.00 H new ATOM 619 N CYS A 47 -8.550 -1.890 5.922 1.00 0.00 N ATOM 620 CA CYS A 47 -8.673 -0.991 7.063 1.00 0.00 C ATOM 621 C CYS A 47 -7.982 0.341 6.783 1.00 0.00 C ATOM 622 O CYS A 47 -8.187 1.320 7.498 1.00 0.00 O ATOM 623 CB CYS A 47 -8.073 -1.636 8.314 1.00 0.00 C ATOM 624 SG CYS A 47 -6.308 -2.059 8.159 1.00 0.00 S ATOM 0 H CYS A 47 -7.653 -2.371 5.859 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.733 -0.802 7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.200 -0.956 9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.633 -2.541 8.547 1.00 0.00 H new ATOM 629 N ASN A 48 -7.163 0.368 5.737 1.00 0.00 N ATOM 630 CA ASN A 48 -6.442 1.578 5.362 1.00 0.00 C ATOM 631 C ASN A 48 -5.466 1.992 6.459 1.00 0.00 C ATOM 632 O ASN A 48 -5.613 3.050 7.069 1.00 0.00 O ATOM 633 CB ASN A 48 -7.425 2.717 5.083 1.00 0.00 C ATOM 634 CG ASN A 48 -8.550 2.296 4.157 1.00 0.00 C ATOM 635 OD1 ASN A 48 -9.640 1.942 4.608 1.00 0.00 O ATOM 636 ND2 ASN A 48 -8.291 2.333 2.856 1.00 0.00 N ATOM 0 H ASN A 48 -6.982 -0.435 5.134 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.874 1.366 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.846 3.069 6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.888 3.556 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.010 2.061 2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.373 2.633 2.527 1.00 0.00 H new ATOM 643 N VAL A 49 -4.467 1.148 6.703 1.00 0.00 N ATOM 644 CA VAL A 49 -3.465 1.426 7.725 1.00 0.00 C ATOM 645 C VAL A 49 -2.062 1.440 7.129 1.00 0.00 C ATOM 646 O VAL A 49 -1.706 0.571 6.334 1.00 0.00 O ATOM 647 CB VAL A 49 -3.519 0.387 8.861 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.091 -0.982 8.352 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.647 0.827 10.027 1.00 0.00 C ATOM 0 H VAL A 49 -4.331 0.267 6.207 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.693 2.411 8.133 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.548 0.313 9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.135 -1.704 9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.760 -1.298 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.071 -0.926 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.697 0.081 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.615 0.931 9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.003 1.785 10.406 1.00 0.00 H new ATOM 659 N ALA A 50 -1.269 2.433 7.519 1.00 0.00 N ATOM 660 CA ALA A 50 0.097 2.559 7.026 1.00 0.00 C ATOM 661 C ALA A 50 1.072 1.784 7.905 1.00 0.00 C ATOM 662 O ALA A 50 1.122 1.984 9.119 1.00 0.00 O ATOM 663 CB ALA A 50 0.498 4.024 6.953 1.00 0.00 C ATOM 0 H ALA A 50 -1.549 3.162 8.175 1.00 0.00 H new ATOM 0 HA ALA A 50 0.136 2.133 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.520 4.103 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.174 4.552 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.436 4.468 7.946 1.00 0.00 H new ATOM 669 N TYR A 51 1.844 0.898 7.285 1.00 0.00 N ATOM 670 CA TYR A 51 2.816 0.090 8.013 1.00 0.00 C ATOM 671 C TYR A 51 4.172 0.110 7.314 1.00 0.00 C ATOM 672 O TYR A 51 4.255 0.002 6.090 1.00 0.00 O ATOM 673 CB TYR A 51 2.317 -1.350 8.143 1.00 0.00 C ATOM 674 CG TYR A 51 1.452 -1.583 9.361 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.979 -1.480 10.642 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.107 -1.906 9.230 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.193 -1.693 11.758 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.688 -2.119 10.340 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.140 -2.012 11.601 1.00 0.00 C ATOM 680 OH TYR A 51 -0.928 -2.224 12.709 1.00 0.00 O ATOM 0 H TYR A 51 1.816 0.721 6.281 1.00 0.00 H new ATOM 0 HA TYR A 51 2.935 0.517 9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.750 -1.611 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.175 -2.021 8.183 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.022 -1.229 10.768 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.325 -1.992 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.619 -1.610 12.747 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.732 -2.368 10.221 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.841 -2.438 12.425 1.00 0.00 H new ATOM 690 N HIS A 52 5.234 0.247 8.101 1.00 0.00 N ATOM 691 CA HIS A 52 6.588 0.279 7.560 1.00 0.00 C ATOM 692 C HIS A 52 6.978 -1.081 6.989 1.00 0.00 C ATOM 693 O HIS A 52 6.358 -2.098 7.305 1.00 0.00 O ATOM 694 CB HIS A 52 7.584 0.694 8.643 1.00 0.00 C ATOM 695 CG HIS A 52 7.409 2.108 9.107 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.934 2.582 10.291 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.763 3.153 8.539 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.618 3.857 10.431 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.907 4.228 9.381 1.00 0.00 N ATOM 0 H HIS A 52 5.183 0.338 9.116 1.00 0.00 H new ATOM 0 HA HIS A 52 6.612 1.013 6.754 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.480 0.024 9.497 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.597 0.568 8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.233 3.143 7.598 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.894 4.489 11.262 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.527 5.161 9.222 1.00 0.00 H new ATOM 707 N ILE A 53 8.007 -1.093 6.149 1.00 0.00 N ATOM 708 CA ILE A 53 8.478 -2.328 5.535 1.00 0.00 C ATOM 709 C ILE A 53 9.393 -3.098 6.482 1.00 0.00 C ATOM 710 O ILE A 53 9.682 -4.274 6.263 1.00 0.00 O ATOM 711 CB ILE A 53 9.232 -2.052 4.221 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.455 -1.171 4.485 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.307 -1.394 3.208 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.718 -1.678 3.825 1.00 0.00 C ATOM 0 H ILE A 53 8.531 -0.261 5.878 1.00 0.00 H new ATOM 0 HA ILE A 53 7.595 -2.929 5.317 1.00 0.00 H new ATOM 0 HB ILE A 53 9.574 -3.001 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.249 -0.161 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.619 -1.103 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.854 -1.205 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.465 -2.054 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.939 -0.451 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.544 -1.005 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.948 -2.676 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.573 -1.719 2.745 1.00 0.00 H new ATOM 726 N TYR A 54 9.845 -2.426 7.535 1.00 0.00 N ATOM 727 CA TYR A 54 10.728 -3.046 8.516 1.00 0.00 C ATOM 728 C TYR A 54 10.056 -3.122 9.883 1.00 0.00 C ATOM 729 O TYR A 54 10.724 -3.131 10.917 1.00 0.00 O ATOM 730 CB TYR A 54 12.037 -2.263 8.621 1.00 0.00 C ATOM 731 CG TYR A 54 11.842 -0.766 8.708 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.555 -0.151 9.920 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.945 0.034 7.576 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.375 1.216 10.003 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.768 1.402 7.650 1.00 0.00 C ATOM 736 CZ TYR A 54 11.483 1.988 8.866 1.00 0.00 C ATOM 737 OH TYR A 54 11.305 3.351 8.945 1.00 0.00 O ATOM 0 H TYR A 54 9.615 -1.452 7.731 1.00 0.00 H new ATOM 0 HA TYR A 54 10.945 -4.061 8.182 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.583 -2.602 9.501 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.657 -2.490 7.754 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.471 -0.752 10.813 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.167 -0.422 6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.151 1.677 10.953 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.852 2.009 6.761 1.00 0.00 H new ATOM 0 HH TYR A 54 11.582 3.666 9.831 1.00 0.00 H new ATOM 747 N CYS A 55 8.728 -3.178 9.880 1.00 0.00 N ATOM 748 CA CYS A 55 7.962 -3.253 11.118 1.00 0.00 C ATOM 749 C CYS A 55 6.834 -4.273 10.999 1.00 0.00 C ATOM 750 O CYS A 55 5.869 -4.241 11.764 1.00 0.00 O ATOM 751 CB CYS A 55 7.388 -1.880 11.472 1.00 0.00 C ATOM 752 SG CYS A 55 8.645 -0.648 11.944 1.00 0.00 S ATOM 0 H CYS A 55 8.160 -3.173 9.033 1.00 0.00 H new ATOM 0 HA CYS A 55 8.635 -3.573 11.913 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.826 -1.502 10.618 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.680 -1.995 12.293 1.00 0.00 H new ATOM 757 N LEU A 56 6.961 -5.177 10.034 1.00 0.00 N ATOM 758 CA LEU A 56 5.952 -6.207 9.813 1.00 0.00 C ATOM 759 C LEU A 56 6.277 -7.467 10.610 1.00 0.00 C ATOM 760 O LEU A 56 7.259 -7.509 11.350 1.00 0.00 O ATOM 761 CB LEU A 56 5.854 -6.543 8.324 1.00 0.00 C ATOM 762 CG LEU A 56 5.054 -5.563 7.466 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.136 -5.949 5.997 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.604 -5.512 7.926 1.00 0.00 C ATOM 0 H LEU A 56 7.753 -5.218 9.392 1.00 0.00 H new ATOM 0 HA LEU A 56 4.992 -5.820 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.864 -6.608 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.406 -7.532 8.224 1.00 0.00 H new ATOM 0 HG LEU A 56 5.487 -4.570 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.560 -5.240 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.177 -5.933 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.729 -6.951 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.049 -4.809 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.159 -6.503 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.563 -5.187 8.966 1.00 0.00 H new ATOM 776 N ASN A 57 5.446 -8.492 10.451 1.00 0.00 N ATOM 777 CA ASN A 57 5.646 -9.754 11.154 1.00 0.00 C ATOM 778 C ASN A 57 5.148 -10.928 10.317 1.00 0.00 C ATOM 779 O ASN A 57 3.964 -11.267 10.320 1.00 0.00 O ATOM 780 CB ASN A 57 4.923 -9.731 12.502 1.00 0.00 C ATOM 781 CG ASN A 57 5.552 -10.670 13.513 1.00 0.00 C ATOM 782 OD1 ASN A 57 5.963 -11.780 13.173 1.00 0.00 O ATOM 783 ND2 ASN A 57 5.631 -10.229 14.762 1.00 0.00 N ATOM 0 H ASN A 57 4.628 -8.473 9.842 1.00 0.00 H new ATOM 0 HA ASN A 57 6.715 -9.880 11.325 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.932 -8.716 12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.879 -10.006 12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.045 -10.817 15.485 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.278 -9.302 14.999 1.00 0.00 H new ATOM 790 N PRO A 58 6.072 -11.566 9.583 1.00 0.00 N ATOM 791 CA PRO A 58 7.484 -11.172 9.572 1.00 0.00 C ATOM 792 C PRO A 58 7.707 -9.836 8.870 1.00 0.00 C ATOM 793 O PRO A 58 6.817 -9.298 8.212 1.00 0.00 O ATOM 794 CB PRO A 58 8.161 -12.304 8.795 1.00 0.00 C ATOM 795 CG PRO A 58 7.087 -12.865 7.929 1.00 0.00 C ATOM 796 CD PRO A 58 5.809 -12.721 8.708 1.00 0.00 C ATOM 0 HA PRO A 58 7.877 -11.033 10.579 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.995 -11.932 8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.562 -13.061 9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.029 -12.328 6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.284 -13.911 7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.957 -12.543 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.586 -13.619 9.284 1.00 0.00 H new ATOM 804 N PRO A 59 8.923 -9.288 9.013 1.00 0.00 N ATOM 805 CA PRO A 59 9.291 -8.009 8.400 1.00 0.00 C ATOM 806 C PRO A 59 9.405 -8.106 6.882 1.00 0.00 C ATOM 807 O PRO A 59 9.123 -9.150 6.293 1.00 0.00 O ATOM 808 CB PRO A 59 10.656 -7.698 9.020 1.00 0.00 C ATOM 809 CG PRO A 59 11.212 -9.027 9.398 1.00 0.00 C ATOM 810 CD PRO A 59 10.031 -9.875 9.784 1.00 0.00 C ATOM 0 HA PRO A 59 8.541 -7.239 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.305 -7.185 8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.557 -7.048 9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.757 -9.473 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.914 -8.935 10.227 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.188 -10.923 9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.840 -9.834 10.856 1.00 0.00 H new ATOM 818 N LEU A 60 9.820 -7.011 6.254 1.00 0.00 N ATOM 819 CA LEU A 60 9.973 -6.973 4.804 1.00 0.00 C ATOM 820 C LEU A 60 11.306 -6.344 4.412 1.00 0.00 C ATOM 821 O LEU A 60 11.580 -5.190 4.741 1.00 0.00 O ATOM 822 CB LEU A 60 8.821 -6.189 4.171 1.00 0.00 C ATOM 823 CG LEU A 60 7.736 -7.023 3.489 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.618 -6.128 2.977 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.329 -7.843 2.353 1.00 0.00 C ATOM 0 H LEU A 60 10.056 -6.138 6.726 1.00 0.00 H new ATOM 0 HA LEU A 60 9.954 -7.998 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.352 -5.583 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.237 -5.500 3.436 1.00 0.00 H new ATOM 0 HG LEU A 60 7.316 -7.709 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.855 -6.739 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.174 -5.586 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.022 -5.417 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.542 -8.430 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.776 -7.175 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.094 -8.512 2.748 1.00 0.00 H new ATOM 837 N ASP A 61 12.131 -7.111 3.708 1.00 0.00 N ATOM 838 CA ASP A 61 13.436 -6.629 3.269 1.00 0.00 C ATOM 839 C ASP A 61 13.300 -5.318 2.500 1.00 0.00 C ATOM 840 O ASP A 61 14.216 -4.496 2.485 1.00 0.00 O ATOM 841 CB ASP A 61 14.123 -7.678 2.394 1.00 0.00 C ATOM 842 CG ASP A 61 14.077 -9.064 3.008 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.307 -9.179 4.230 1.00 0.00 O ATOM 844 OD2 ASP A 61 13.811 -10.033 2.267 1.00 0.00 O ATOM 0 H ASP A 61 11.920 -8.069 3.429 1.00 0.00 H new ATOM 0 HA ASP A 61 14.046 -6.449 4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.644 -7.701 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.162 -7.389 2.233 1.00 0.00 H new ATOM 849 N LYS A 62 12.150 -5.130 1.861 1.00 0.00 N ATOM 850 CA LYS A 62 11.892 -3.920 1.089 1.00 0.00 C ATOM 851 C LYS A 62 10.406 -3.782 0.773 1.00 0.00 C ATOM 852 O LYS A 62 9.578 -4.527 1.297 1.00 0.00 O ATOM 853 CB LYS A 62 12.702 -3.936 -0.210 1.00 0.00 C ATOM 854 CG LYS A 62 12.293 -5.043 -1.167 1.00 0.00 C ATOM 855 CD LYS A 62 12.205 -4.539 -2.597 1.00 0.00 C ATOM 856 CE LYS A 62 12.989 -5.428 -3.551 1.00 0.00 C ATOM 857 NZ LYS A 62 13.389 -4.699 -4.786 1.00 0.00 N ATOM 0 H LYS A 62 11.381 -5.801 1.863 1.00 0.00 H new ATOM 0 HA LYS A 62 12.198 -3.064 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.590 -2.974 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.759 -4.048 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.014 -5.858 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.328 -5.450 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.161 -4.502 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.589 -3.520 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.879 -5.805 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.384 -6.294 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.921 -5.339 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.539 -4.361 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.987 -3.887 -4.532 1.00 0.00 H new ATOM 871 N VAL A 63 10.075 -2.825 -0.088 1.00 0.00 N ATOM 872 CA VAL A 63 8.689 -2.592 -0.476 1.00 0.00 C ATOM 873 C VAL A 63 8.245 -3.581 -1.548 1.00 0.00 C ATOM 874 O VAL A 63 8.950 -3.834 -2.525 1.00 0.00 O ATOM 875 CB VAL A 63 8.487 -1.158 -1.001 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.033 -0.929 -1.383 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.940 -0.143 0.037 1.00 0.00 C ATOM 0 H VAL A 63 10.748 -2.199 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 63 8.082 -2.733 0.418 1.00 0.00 H new ATOM 0 HB VAL A 63 9.097 -1.027 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.910 0.089 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.746 -1.634 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.399 -1.078 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.790 0.865 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.358 -0.271 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.997 -0.294 0.257 1.00 0.00 H new ATOM 887 N PRO A 64 7.047 -4.154 -1.363 1.00 0.00 N ATOM 888 CA PRO A 64 6.480 -5.125 -2.305 1.00 0.00 C ATOM 889 C PRO A 64 6.077 -4.482 -3.628 1.00 0.00 C ATOM 890 O PRO A 64 6.043 -3.257 -3.748 1.00 0.00 O ATOM 891 CB PRO A 64 5.245 -5.653 -1.570 1.00 0.00 C ATOM 892 CG PRO A 64 4.865 -4.558 -0.633 1.00 0.00 C ATOM 893 CD PRO A 64 6.152 -3.900 -0.221 1.00 0.00 C ATOM 0 HA PRO A 64 7.198 -5.900 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.436 -5.877 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.468 -6.575 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.199 -3.844 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.334 -4.952 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.019 -2.833 -0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.545 -4.329 0.701 1.00 0.00 H new ATOM 901 N GLU A 65 5.774 -5.315 -4.618 1.00 0.00 N ATOM 902 CA GLU A 65 5.374 -4.826 -5.932 1.00 0.00 C ATOM 903 C GLU A 65 4.342 -5.754 -6.567 1.00 0.00 C ATOM 904 O GLU A 65 4.222 -5.820 -7.790 1.00 0.00 O ATOM 905 CB GLU A 65 6.594 -4.701 -6.846 1.00 0.00 C ATOM 906 CG GLU A 65 7.349 -3.393 -6.678 1.00 0.00 C ATOM 907 CD GLU A 65 6.724 -2.253 -7.459 1.00 0.00 C ATOM 908 OE1 GLU A 65 6.823 -2.263 -8.704 1.00 0.00 O ATOM 909 OE2 GLU A 65 6.136 -1.352 -6.825 1.00 0.00 O ATOM 0 H GLU A 65 5.798 -6.331 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 65 4.922 -3.842 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.273 -5.531 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.272 -4.794 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.381 -3.130 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.380 -3.529 -7.004 1.00 0.00 H new ATOM 916 N GLU A 66 3.601 -6.469 -5.726 1.00 0.00 N ATOM 917 CA GLU A 66 2.581 -7.394 -6.206 1.00 0.00 C ATOM 918 C GLU A 66 1.273 -6.662 -6.491 1.00 0.00 C ATOM 919 O GLU A 66 1.227 -5.432 -6.492 1.00 0.00 O ATOM 920 CB GLU A 66 2.344 -8.504 -5.179 1.00 0.00 C ATOM 921 CG GLU A 66 3.624 -9.119 -4.641 1.00 0.00 C ATOM 922 CD GLU A 66 3.367 -10.330 -3.765 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.196 -10.558 -3.397 1.00 0.00 O ATOM 924 OE2 GLU A 66 4.337 -11.049 -3.448 1.00 0.00 O ATOM 0 H GLU A 66 3.688 -6.426 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 66 2.938 -7.838 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.767 -8.100 -4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.739 -9.287 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.262 -9.408 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.169 -8.370 -4.067 1.00 0.00 H new ATOM 931 N GLU A 67 0.213 -7.427 -6.732 1.00 0.00 N ATOM 932 CA GLU A 67 -1.095 -6.851 -7.020 1.00 0.00 C ATOM 933 C GLU A 67 -1.490 -5.837 -5.951 1.00 0.00 C ATOM 934 O GLU A 67 -1.688 -4.657 -6.242 1.00 0.00 O ATOM 935 CB GLU A 67 -2.153 -7.952 -7.110 1.00 0.00 C ATOM 936 CG GLU A 67 -2.034 -8.810 -8.359 1.00 0.00 C ATOM 937 CD GLU A 67 -3.128 -9.855 -8.454 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.671 -10.244 -7.398 1.00 0.00 O ATOM 939 OE2 GLU A 67 -3.442 -10.285 -9.584 1.00 0.00 O ATOM 0 H GLU A 67 0.235 -8.447 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.034 -6.337 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.075 -8.592 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.143 -7.496 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.071 -8.170 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.063 -9.305 -8.365 1.00 0.00 H new ATOM 946 N TYR A 68 -1.603 -6.305 -4.713 1.00 0.00 N ATOM 947 CA TYR A 68 -1.977 -5.441 -3.600 1.00 0.00 C ATOM 948 C TYR A 68 -1.255 -5.855 -2.322 1.00 0.00 C ATOM 949 O TYR A 68 -0.595 -6.893 -2.277 1.00 0.00 O ATOM 950 CB TYR A 68 -3.490 -5.483 -3.381 1.00 0.00 C ATOM 951 CG TYR A 68 -4.226 -4.322 -4.011 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.169 -3.051 -3.451 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.978 -4.495 -5.166 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.840 -1.988 -4.023 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.651 -3.437 -5.746 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.579 -2.185 -5.170 1.00 0.00 C ATOM 957 OH TYR A 68 -6.249 -1.129 -5.744 1.00 0.00 O ATOM 0 H TYR A 68 -1.441 -7.278 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.681 -4.422 -3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.882 -6.415 -3.789 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.693 -5.493 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.590 -2.892 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.038 -5.474 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.786 -1.007 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.230 -3.589 -6.645 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.720 -1.438 -6.546 1.00 0.00 H new ATOM 967 N TRP A 69 -1.387 -5.037 -1.284 1.00 0.00 N ATOM 968 CA TRP A 69 -0.748 -5.318 -0.003 1.00 0.00 C ATOM 969 C TRP A 69 -1.748 -5.197 1.142 1.00 0.00 C ATOM 970 O TRP A 69 -2.371 -4.152 1.326 1.00 0.00 O ATOM 971 CB TRP A 69 0.425 -4.364 0.225 1.00 0.00 C ATOM 972 CG TRP A 69 1.149 -4.610 1.514 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.255 -5.389 1.698 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.815 -4.075 2.800 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.629 -5.371 3.020 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.762 -4.571 3.717 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.191 -3.223 3.265 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.730 -4.244 5.070 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.221 -2.900 4.608 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.735 -3.408 5.498 1.00 0.00 C ATOM 0 H TRP A 69 -1.930 -4.174 -1.304 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.375 -6.342 -0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.128 -4.460 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.057 -3.338 0.213 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.762 -5.939 0.919 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.423 -5.872 3.418 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.931 -2.825 2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.465 -4.636 5.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.995 -2.244 4.979 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.685 -3.134 6.542 1.00 0.00 H new ATOM 991 N TYR A 70 -1.895 -6.272 1.908 1.00 0.00 N ATOM 992 CA TYR A 70 -2.821 -6.286 3.035 1.00 0.00 C ATOM 993 C TYR A 70 -2.074 -6.469 4.352 1.00 0.00 C ATOM 994 O TYR A 70 -1.302 -7.414 4.516 1.00 0.00 O ATOM 995 CB TYR A 70 -3.851 -7.404 2.861 1.00 0.00 C ATOM 996 CG TYR A 70 -4.871 -7.124 1.780 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.583 -7.372 0.444 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.124 -6.614 2.096 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.512 -7.117 -0.546 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.060 -6.357 1.113 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.749 -6.610 -0.207 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.677 -6.357 -1.191 1.00 0.00 O ATOM 0 H TYR A 70 -1.385 -7.145 1.770 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.336 -5.326 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.331 -8.333 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.370 -7.559 3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.616 -7.771 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.371 -6.415 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.271 -7.314 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.029 -5.960 1.376 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.496 -6.004 -0.785 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.310 -5.557 5.290 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.661 -5.614 6.594 1.00 0.00 C ATOM 1014 C CYS A 71 -1.832 -6.993 7.226 1.00 0.00 C ATOM 1015 O CYS A 71 -2.771 -7.729 6.925 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.235 -4.541 7.520 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.887 -4.935 8.181 1.00 0.00 S ATOM 0 H CYS A 71 -2.947 -4.769 5.171 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.596 -5.428 6.451 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.549 -4.390 8.353 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.288 -3.598 6.976 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.903 -7.351 8.125 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.929 -8.641 8.819 1.00 0.00 C ATOM 1024 C PRO A 72 -2.075 -8.738 9.820 1.00 0.00 C ATOM 1025 O PRO A 72 -2.350 -9.808 10.363 1.00 0.00 O ATOM 1026 CB PRO A 72 0.419 -8.682 9.544 1.00 0.00 C ATOM 1027 CG PRO A 72 0.793 -7.252 9.728 1.00 0.00 C ATOM 1028 CD PRO A 72 0.245 -6.523 8.532 1.00 0.00 C ATOM 0 HA PRO A 72 -1.083 -9.471 8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.338 -9.197 10.502 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.168 -9.215 8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.374 -6.855 10.653 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.875 -7.137 9.793 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.061 -5.508 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.985 -6.443 7.736 1.00 0.00 H new ATOM 1036 N SER A 73 -2.742 -7.613 10.060 1.00 0.00 N ATOM 1037 CA SER A 73 -3.857 -7.570 10.999 1.00 0.00 C ATOM 1038 C SER A 73 -5.167 -7.928 10.303 1.00 0.00 C ATOM 1039 O SER A 73 -6.164 -8.242 10.954 1.00 0.00 O ATOM 1040 CB SER A 73 -3.965 -6.182 11.632 1.00 0.00 C ATOM 1041 OG SER A 73 -3.909 -6.261 13.046 1.00 0.00 O ATOM 0 H SER A 73 -2.529 -6.719 9.617 1.00 0.00 H new ATOM 0 HA SER A 73 -3.669 -8.305 11.782 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.156 -5.549 11.268 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.900 -5.712 11.328 1.00 0.00 H new ATOM 0 HG SER A 73 -3.978 -5.361 13.427 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.157 -7.878 8.975 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.343 -8.195 8.189 1.00 0.00 C ATOM 1049 C CYS A 74 -6.224 -9.580 7.560 1.00 0.00 C ATOM 1050 O CYS A 74 -7.127 -10.409 7.680 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.552 -7.144 7.097 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.418 -5.645 7.664 1.00 0.00 S ATOM 0 H CYS A 74 -4.340 -7.621 8.421 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.204 -8.191 8.858 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.581 -6.859 6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.119 -7.591 6.281 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.103 -9.826 6.890 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.863 -11.111 6.244 1.00 0.00 C ATOM 1059 C LYS A 75 -5.089 -12.261 7.219 1.00 0.00 C ATOM 1060 O LYS A 75 -4.252 -12.532 8.081 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.437 -11.169 5.692 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.032 -12.546 5.197 1.00 0.00 C ATOM 1063 CD LYS A 75 -2.085 -13.231 6.169 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.170 -14.214 5.455 1.00 0.00 C ATOM 1065 NZ LYS A 75 0.238 -13.730 5.411 1.00 0.00 N ATOM 0 H LYS A 75 -4.346 -9.152 6.780 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.569 -11.213 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.344 -10.456 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.742 -10.853 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.922 -13.161 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.553 -12.457 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.484 -12.481 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.661 -13.756 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.207 -15.178 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.531 -14.374 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.830 -14.428 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.277 -12.822 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.591 -13.602 6.381 1.00 0.00 H new ATOM 1079 N THR A 76 -6.225 -12.937 7.078 1.00 0.00 N ATOM 1080 CA THR A 76 -6.561 -14.059 7.946 1.00 0.00 C ATOM 1081 C THR A 76 -6.926 -15.294 7.132 1.00 0.00 C ATOM 1082 O THR A 76 -8.077 -15.733 7.133 1.00 0.00 O ATOM 1083 CB THR A 76 -7.732 -13.712 8.885 1.00 0.00 C ATOM 1084 OG1 THR A 76 -8.692 -12.905 8.193 1.00 0.00 O ATOM 1085 CG2 THR A 76 -7.236 -12.973 10.118 1.00 0.00 C ATOM 0 H THR A 76 -6.929 -12.727 6.370 1.00 0.00 H new ATOM 0 HA THR A 76 -5.675 -14.271 8.545 1.00 0.00 H new ATOM 0 HB THR A 76 -8.202 -14.643 9.203 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.330 -12.003 8.065 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.081 -12.739 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.528 -13.601 10.658 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.744 -12.049 9.815 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.940 -15.852 6.438 1.00 0.00 N ATOM 1094 CA ASP A 77 -6.158 -17.040 5.619 1.00 0.00 C ATOM 1095 C ASP A 77 -7.322 -16.830 4.656 1.00 0.00 C ATOM 1096 O ASP A 77 -7.585 -15.693 4.268 1.00 0.00 O ATOM 1097 CB ASP A 77 -6.428 -18.255 6.508 1.00 0.00 C ATOM 1098 CG ASP A 77 -5.633 -19.473 6.080 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -6.124 -20.227 5.214 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -4.521 -19.672 6.611 1.00 0.00 O ATOM 0 H ASP A 77 -4.982 -15.501 6.426 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.255 -17.220 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.181 -18.008 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.492 -18.491 6.482 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.553 1.441 11.945 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.726 -4.042 7.269 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.709 9.746 12.156 1.00 0.00 ZN