USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 20 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.2!) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.00724 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.011) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0687 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4.1!) USER MOD Single : A 27 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=-1) USER MOD Single : A 36 GLN : amide:sc= -2.45! C(o=-2.5!,f=-1.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.62 K(o=-0.62,f=-3.1!) USER MOD Single : A 41 THR OG1 : rot -133:sc= -0.929! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.019 12.468 10.953 1.00 0.00 N ATOM 2 CA SER A 1 8.086 11.386 9.978 1.00 0.00 C ATOM 3 C SER A 1 9.528 11.118 9.562 1.00 0.00 C ATOM 4 O SER A 1 10.311 12.047 9.360 1.00 0.00 O ATOM 5 CB SER A 1 7.243 11.728 8.748 1.00 0.00 C ATOM 6 OG SER A 1 6.922 10.562 8.010 1.00 0.00 O ATOM 0 H1 SER A 1 7.753 12.083 11.882 1.00 0.00 H new ATOM 0 H2 SER A 1 8.948 12.930 11.023 1.00 0.00 H new ATOM 0 H3 SER A 1 7.308 13.164 10.651 1.00 0.00 H new ATOM 0 HA SER A 1 7.688 10.485 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.326 12.229 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.788 12.426 8.112 1.00 0.00 H new ATOM 0 HG SER A 1 6.382 10.807 7.230 1.00 0.00 H new ATOM 12 N ASP A 2 9.873 9.841 9.435 1.00 0.00 N ATOM 13 CA ASP A 2 11.222 9.448 9.042 1.00 0.00 C ATOM 14 C ASP A 2 11.196 8.636 7.751 1.00 0.00 C ATOM 15 O ASP A 2 12.242 8.326 7.180 1.00 0.00 O ATOM 16 CB ASP A 2 11.885 8.639 10.157 1.00 0.00 C ATOM 17 CG ASP A 2 12.469 9.519 11.244 1.00 0.00 C ATOM 18 OD1 ASP A 2 11.906 9.539 12.358 1.00 0.00 O ATOM 19 OD2 ASP A 2 13.490 10.189 10.980 1.00 0.00 O ATOM 0 H ASP A 2 9.237 9.060 9.598 1.00 0.00 H new ATOM 0 HA ASP A 2 11.803 10.354 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.152 7.963 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.675 8.020 9.732 1.00 0.00 H new ATOM 24 N ARG A 3 9.995 8.292 7.297 1.00 0.00 N ATOM 25 CA ARG A 3 9.834 7.513 6.076 1.00 0.00 C ATOM 26 C ARG A 3 10.008 6.023 6.354 1.00 0.00 C ATOM 27 O ARG A 3 10.982 5.408 5.921 1.00 0.00 O ATOM 28 CB ARG A 3 10.843 7.967 5.019 1.00 0.00 C ATOM 29 CG ARG A 3 11.089 9.466 5.017 1.00 0.00 C ATOM 30 CD ARG A 3 10.648 10.101 3.707 1.00 0.00 C ATOM 31 NE ARG A 3 11.523 11.200 3.309 1.00 0.00 N ATOM 32 CZ ARG A 3 11.396 11.863 2.165 1.00 0.00 C ATOM 33 NH1 ARG A 3 10.435 11.540 1.310 1.00 0.00 N ATOM 34 NH2 ARG A 3 12.231 12.852 1.874 1.00 0.00 N ATOM 0 H ARG A 3 9.119 8.541 7.757 1.00 0.00 H new ATOM 0 HA ARG A 3 8.825 7.679 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.789 7.452 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.486 7.665 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.549 9.926 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.149 9.662 5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.638 9.344 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.627 10.469 3.808 1.00 0.00 H new ATOM 0 HE ARG A 3 12.273 11.474 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.791 10.781 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.340 12.051 0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.971 13.104 2.529 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.133 13.361 0.995 1.00 0.00 H new ATOM 48 N THR A 4 9.056 5.448 7.082 1.00 0.00 N ATOM 49 CA THR A 4 9.104 4.031 7.420 1.00 0.00 C ATOM 50 C THR A 4 7.875 3.298 6.894 1.00 0.00 C ATOM 51 O THR A 4 6.769 3.838 6.896 1.00 0.00 O ATOM 52 CB THR A 4 9.200 3.819 8.944 1.00 0.00 C ATOM 53 OG1 THR A 4 9.353 5.081 9.604 1.00 0.00 O ATOM 54 CG2 THR A 4 10.371 2.913 9.291 1.00 0.00 C ATOM 0 H THR A 4 8.242 5.942 7.449 1.00 0.00 H new ATOM 0 HA THR A 4 9.997 3.624 6.947 1.00 0.00 H new ATOM 0 HB THR A 4 8.280 3.342 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.412 4.939 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.419 2.778 10.372 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.237 1.944 8.810 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.298 3.367 8.941 1.00 0.00 H new ATOM 62 N CYS A 5 8.076 2.064 6.444 1.00 0.00 N ATOM 63 CA CYS A 5 6.985 1.255 5.913 1.00 0.00 C ATOM 64 C CYS A 5 5.847 1.147 6.925 1.00 0.00 C ATOM 65 O CYS A 5 6.069 1.212 8.133 1.00 0.00 O ATOM 66 CB CYS A 5 7.489 -0.142 5.545 1.00 0.00 C ATOM 67 SG CYS A 5 6.304 -1.128 4.576 1.00 0.00 S ATOM 0 H CYS A 5 8.985 1.602 6.436 1.00 0.00 H new ATOM 0 HA CYS A 5 6.606 1.744 5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.414 -0.045 4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.732 -0.682 6.460 1.00 0.00 H new ATOM 72 N ALA A 6 4.629 0.980 6.421 1.00 0.00 N ATOM 73 CA ALA A 6 3.457 0.861 7.279 1.00 0.00 C ATOM 74 C ALA A 6 3.139 -0.601 7.573 1.00 0.00 C ATOM 75 O ALA A 6 2.161 -0.909 8.255 1.00 0.00 O ATOM 76 CB ALA A 6 2.260 1.545 6.637 1.00 0.00 C ATOM 0 H ALA A 6 4.428 0.924 5.423 1.00 0.00 H new ATOM 0 HA ALA A 6 3.678 1.355 8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.392 1.448 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.483 2.601 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.046 1.077 5.676 1.00 0.00 H new ATOM 82 N ARG A 7 3.970 -1.499 7.054 1.00 0.00 N ATOM 83 CA ARG A 7 3.775 -2.929 7.259 1.00 0.00 C ATOM 84 C ARG A 7 5.014 -3.562 7.885 1.00 0.00 C ATOM 85 O ARG A 7 4.911 -4.413 8.769 1.00 0.00 O ATOM 86 CB ARG A 7 3.453 -3.617 5.931 1.00 0.00 C ATOM 87 CG ARG A 7 2.479 -2.839 5.062 1.00 0.00 C ATOM 88 CD ARG A 7 1.231 -2.449 5.837 1.00 0.00 C ATOM 89 NE ARG A 7 0.926 -3.402 6.900 1.00 0.00 N ATOM 90 CZ ARG A 7 0.220 -3.095 7.983 1.00 0.00 C ATOM 91 NH1 ARG A 7 -0.252 -1.867 8.144 1.00 0.00 N ATOM 92 NH2 ARG A 7 -0.015 -4.018 8.907 1.00 0.00 N ATOM 0 H ARG A 7 4.785 -1.261 6.488 1.00 0.00 H new ATOM 0 HA ARG A 7 2.936 -3.062 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.379 -3.770 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.037 -4.604 6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.967 -1.942 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.199 -3.442 4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.367 -1.457 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.385 -2.386 5.153 1.00 0.00 H new ATOM 0 HE ARG A 7 1.274 -4.356 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.074 -1.155 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.794 -1.634 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.346 -4.964 8.786 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.557 -3.781 9.738 1.00 0.00 H new ATOM 106 N CYS A 8 6.186 -3.143 7.420 1.00 0.00 N ATOM 107 CA CYS A 8 7.446 -3.668 7.932 1.00 0.00 C ATOM 108 C CYS A 8 8.078 -2.694 8.923 1.00 0.00 C ATOM 109 O CYS A 8 8.903 -3.083 9.750 1.00 0.00 O ATOM 110 CB CYS A 8 8.415 -3.941 6.780 1.00 0.00 C ATOM 111 SG CYS A 8 7.662 -4.808 5.366 1.00 0.00 S ATOM 0 H CYS A 8 6.289 -2.440 6.688 1.00 0.00 H new ATOM 0 HA CYS A 8 7.237 -4.603 8.451 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.827 -2.993 6.434 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.249 -4.534 7.154 1.00 0.00 H new ATOM 116 N GLN A 9 7.686 -1.428 8.833 1.00 0.00 N ATOM 117 CA GLN A 9 8.214 -0.399 9.721 1.00 0.00 C ATOM 118 C GLN A 9 9.703 -0.181 9.476 1.00 0.00 C ATOM 119 O GLN A 9 10.436 0.228 10.375 1.00 0.00 O ATOM 120 CB GLN A 9 7.977 -0.786 11.182 1.00 0.00 C ATOM 121 CG GLN A 9 6.826 -0.034 11.831 1.00 0.00 C ATOM 122 CD GLN A 9 6.148 -0.837 12.924 1.00 0.00 C ATOM 123 OE1 GLN A 9 6.077 -0.404 14.074 1.00 0.00 O ATOM 124 NE2 GLN A 9 5.644 -2.013 12.569 1.00 0.00 N ATOM 0 H GLN A 9 7.004 -1.090 8.154 1.00 0.00 H new ATOM 0 HA GLN A 9 7.689 0.533 9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.779 -1.856 11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.888 -0.600 11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.198 0.901 12.250 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.092 0.228 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.726 -2.332 11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.175 -2.597 13.262 1.00 0.00 H new ATOM 133 N GLU A 10 10.143 -0.458 8.252 1.00 0.00 N ATOM 134 CA GLU A 10 11.546 -0.292 7.890 1.00 0.00 C ATOM 135 C GLU A 10 11.777 1.051 7.204 1.00 0.00 C ATOM 136 O GLU A 10 10.885 1.583 6.542 1.00 0.00 O ATOM 137 CB GLU A 10 11.996 -1.431 6.972 1.00 0.00 C ATOM 138 CG GLU A 10 12.218 -2.747 7.697 1.00 0.00 C ATOM 139 CD GLU A 10 12.270 -3.932 6.753 1.00 0.00 C ATOM 140 OE1 GLU A 10 11.944 -5.055 7.192 1.00 0.00 O ATOM 141 OE2 GLU A 10 12.637 -3.738 5.576 1.00 0.00 O ATOM 0 H GLU A 10 9.549 -0.798 7.496 1.00 0.00 H new ATOM 0 HA GLU A 10 12.136 -0.317 8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.247 -1.577 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.921 -1.140 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.150 -2.695 8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.417 -2.899 8.420 1.00 0.00 H new ATOM 148 N SER A 11 12.979 1.594 7.366 1.00 0.00 N ATOM 149 CA SER A 11 13.325 2.877 6.767 1.00 0.00 C ATOM 150 C SER A 11 13.103 2.849 5.258 1.00 0.00 C ATOM 151 O SER A 11 13.305 1.823 4.607 1.00 0.00 O ATOM 152 CB SER A 11 14.783 3.229 7.072 1.00 0.00 C ATOM 153 OG SER A 11 15.573 2.060 7.208 1.00 0.00 O ATOM 0 H SER A 11 13.730 1.165 7.907 1.00 0.00 H new ATOM 0 HA SER A 11 12.676 3.639 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.185 3.852 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.834 3.815 7.990 1.00 0.00 H new ATOM 0 HG SER A 11 16.500 2.312 7.401 1.00 0.00 H new ATOM 159 N LEU A 12 12.685 3.984 4.708 1.00 0.00 N ATOM 160 CA LEU A 12 12.434 4.091 3.274 1.00 0.00 C ATOM 161 C LEU A 12 13.537 4.889 2.587 1.00 0.00 C ATOM 162 O LEU A 12 13.312 5.514 1.552 1.00 0.00 O ATOM 163 CB LEU A 12 11.078 4.753 3.023 1.00 0.00 C ATOM 164 CG LEU A 12 9.853 3.849 3.162 1.00 0.00 C ATOM 165 CD1 LEU A 12 9.499 3.219 1.824 1.00 0.00 C ATOM 166 CD2 LEU A 12 10.100 2.774 4.210 1.00 0.00 C ATOM 0 H LEU A 12 12.513 4.842 5.232 1.00 0.00 H new ATOM 0 HA LEU A 12 12.424 3.085 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.970 5.587 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.082 5.173 2.017 1.00 0.00 H new ATOM 0 HG LEU A 12 9.010 4.459 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.625 2.579 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.279 4.003 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.339 2.623 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.218 2.140 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.956 2.167 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.304 3.244 5.172 1.00 0.00 H new ATOM 178 N GLY A 13 14.731 4.861 3.170 1.00 0.00 N ATOM 179 CA GLY A 13 15.853 5.583 2.598 1.00 0.00 C ATOM 180 C GLY A 13 15.932 5.433 1.093 1.00 0.00 C ATOM 181 O GLY A 13 15.284 6.172 0.352 1.00 0.00 O ATOM 0 H GLY A 13 14.942 4.351 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.768 6.640 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.779 5.222 3.045 1.00 0.00 H new ATOM 185 N ARG A 14 16.732 4.473 0.637 1.00 0.00 N ATOM 186 CA ARG A 14 16.896 4.231 -0.792 1.00 0.00 C ATOM 187 C ARG A 14 15.769 3.353 -1.328 1.00 0.00 C ATOM 188 O ARG A 14 16.011 2.279 -1.879 1.00 0.00 O ATOM 189 CB ARG A 14 18.247 3.567 -1.066 1.00 0.00 C ATOM 190 CG ARG A 14 18.937 4.083 -2.317 1.00 0.00 C ATOM 191 CD ARG A 14 20.204 4.852 -1.978 1.00 0.00 C ATOM 192 NE ARG A 14 21.270 3.971 -1.509 1.00 0.00 N ATOM 193 CZ ARG A 14 22.493 4.393 -1.210 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.804 5.676 -1.330 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.409 3.530 -0.789 1.00 0.00 N ATOM 0 H ARG A 14 17.276 3.851 1.236 1.00 0.00 H new ATOM 0 HA ARG A 14 16.860 5.192 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.901 3.726 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.101 2.491 -1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.182 3.246 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.255 4.729 -2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.545 5.396 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 14 19.983 5.594 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 14 21.064 2.977 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.103 6.343 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.744 5.997 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.174 2.542 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.348 3.855 -0.559 1.00 0.00 H new ATOM 209 N LEU A 15 14.535 3.817 -1.160 1.00 0.00 N ATOM 210 CA LEU A 15 13.369 3.075 -1.627 1.00 0.00 C ATOM 211 C LEU A 15 12.371 4.002 -2.312 1.00 0.00 C ATOM 212 O LEU A 15 11.294 3.574 -2.728 1.00 0.00 O ATOM 213 CB LEU A 15 12.695 2.358 -0.456 1.00 0.00 C ATOM 214 CG LEU A 15 11.980 1.048 -0.792 1.00 0.00 C ATOM 215 CD1 LEU A 15 12.863 0.168 -1.664 1.00 0.00 C ATOM 216 CD2 LEU A 15 11.584 0.314 0.480 1.00 0.00 C ATOM 0 H LEU A 15 14.316 4.703 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 15 13.707 2.336 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.451 2.152 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.972 3.039 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 15 11.073 1.284 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.339 -0.760 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.096 0.692 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.787 -0.059 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.077 -0.615 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.477 0.090 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.914 0.941 1.068 1.00 0.00 H new ATOM 228 N SER A 16 12.737 5.276 -2.427 1.00 0.00 N ATOM 229 CA SER A 16 11.873 6.265 -3.061 1.00 0.00 C ATOM 230 C SER A 16 10.517 6.326 -2.366 1.00 0.00 C ATOM 231 O SER A 16 9.509 5.830 -2.871 1.00 0.00 O ATOM 232 CB SER A 16 11.685 5.935 -4.543 1.00 0.00 C ATOM 233 OG SER A 16 12.725 6.495 -5.326 1.00 0.00 O ATOM 0 H SER A 16 13.625 5.646 -2.089 1.00 0.00 H new ATOM 0 HA SER A 16 12.352 7.240 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.666 4.854 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.723 6.316 -4.885 1.00 0.00 H new ATOM 0 HG SER A 16 12.583 6.268 -6.269 1.00 0.00 H new ATOM 239 N PRO A 17 10.488 6.950 -1.179 1.00 0.00 N ATOM 240 CA PRO A 17 9.262 7.091 -0.389 1.00 0.00 C ATOM 241 C PRO A 17 8.268 8.054 -1.028 1.00 0.00 C ATOM 242 O PRO A 17 7.175 8.275 -0.504 1.00 0.00 O ATOM 243 CB PRO A 17 9.763 7.649 0.946 1.00 0.00 C ATOM 244 CG PRO A 17 11.036 8.345 0.612 1.00 0.00 C ATOM 245 CD PRO A 17 11.651 7.564 -0.517 1.00 0.00 C ATOM 0 HA PRO A 17 8.725 6.147 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.039 8.336 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.926 6.852 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.850 9.378 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.702 8.375 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.206 8.210 -1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.349 6.811 -0.151 1.00 0.00 H new ATOM 253 N LYS A 18 8.653 8.626 -2.164 1.00 0.00 N ATOM 254 CA LYS A 18 7.794 9.565 -2.878 1.00 0.00 C ATOM 255 C LYS A 18 6.716 8.827 -3.665 1.00 0.00 C ATOM 256 O LYS A 18 5.623 9.351 -3.883 1.00 0.00 O ATOM 257 CB LYS A 18 8.629 10.431 -3.825 1.00 0.00 C ATOM 258 CG LYS A 18 8.062 11.825 -4.031 1.00 0.00 C ATOM 259 CD LYS A 18 7.573 12.023 -5.456 1.00 0.00 C ATOM 260 CE LYS A 18 6.622 13.205 -5.560 1.00 0.00 C ATOM 261 NZ LYS A 18 5.785 13.137 -6.790 1.00 0.00 N ATOM 0 H LYS A 18 9.554 8.456 -2.610 1.00 0.00 H new ATOM 0 HA LYS A 18 7.307 10.205 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.642 10.514 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.703 9.931 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.238 11.990 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.826 12.567 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.426 12.182 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.070 11.119 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.976 13.230 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.194 14.133 -5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.150 13.960 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.400 13.139 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.219 12.264 -6.777 1.00 0.00 H new ATOM 275 N THR A 19 7.029 7.606 -4.089 1.00 0.00 N ATOM 276 CA THR A 19 6.087 6.796 -4.850 1.00 0.00 C ATOM 277 C THR A 19 5.759 5.500 -4.118 1.00 0.00 C ATOM 278 O THR A 19 5.356 4.513 -4.734 1.00 0.00 O ATOM 279 CB THR A 19 6.639 6.458 -6.248 1.00 0.00 C ATOM 280 OG1 THR A 19 7.661 5.459 -6.143 1.00 0.00 O ATOM 281 CG2 THR A 19 7.204 7.699 -6.922 1.00 0.00 C ATOM 0 H THR A 19 7.929 7.157 -3.918 1.00 0.00 H new ATOM 0 HA THR A 19 5.178 7.387 -4.960 1.00 0.00 H new ATOM 0 HB THR A 19 5.818 6.076 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.006 5.248 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.588 7.435 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.417 8.446 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.013 8.106 -6.315 1.00 0.00 H new ATOM 289 N ASN A 20 5.935 5.509 -2.801 1.00 0.00 N ATOM 290 CA ASN A 20 5.657 4.332 -1.984 1.00 0.00 C ATOM 291 C ASN A 20 4.543 4.617 -0.981 1.00 0.00 C ATOM 292 O ASN A 20 4.406 3.921 0.025 1.00 0.00 O ATOM 293 CB ASN A 20 6.921 3.887 -1.247 1.00 0.00 C ATOM 294 CG ASN A 20 8.005 3.409 -2.194 1.00 0.00 C ATOM 295 OD1 ASN A 20 7.868 3.509 -3.414 1.00 0.00 O ATOM 296 ND2 ASN A 20 9.089 2.884 -1.636 1.00 0.00 N ATOM 0 H ASN A 20 6.269 6.317 -2.276 1.00 0.00 H new ATOM 0 HA ASN A 20 5.329 3.530 -2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.302 4.717 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.670 3.085 -0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.851 2.544 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.160 2.821 -0.620 1.00 0.00 H new ATOM 303 N THR A 21 3.750 5.645 -1.263 1.00 0.00 N ATOM 304 CA THR A 21 2.648 6.023 -0.386 1.00 0.00 C ATOM 305 C THR A 21 1.324 5.469 -0.897 1.00 0.00 C ATOM 306 O THR A 21 0.679 6.068 -1.758 1.00 0.00 O ATOM 307 CB THR A 21 2.534 7.554 -0.255 1.00 0.00 C ATOM 308 OG1 THR A 21 3.826 8.122 -0.010 1.00 0.00 O ATOM 309 CG2 THR A 21 1.588 7.931 0.875 1.00 0.00 C ATOM 0 H THR A 21 3.850 6.231 -2.092 1.00 0.00 H new ATOM 0 HA THR A 21 2.863 5.597 0.594 1.00 0.00 H new ATOM 0 HB THR A 21 2.135 7.948 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.746 9.095 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.523 9.017 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.598 7.521 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.964 7.525 1.814 1.00 0.00 H new ATOM 317 N CYS A 22 0.921 4.322 -0.361 1.00 0.00 N ATOM 318 CA CYS A 22 -0.328 3.686 -0.762 1.00 0.00 C ATOM 319 C CYS A 22 -1.417 4.728 -1.002 1.00 0.00 C ATOM 320 O CYS A 22 -1.627 5.621 -0.181 1.00 0.00 O ATOM 321 CB CYS A 22 -0.785 2.693 0.308 1.00 0.00 C ATOM 322 SG CYS A 22 -2.341 1.834 -0.092 1.00 0.00 S ATOM 0 H CYS A 22 1.442 3.813 0.353 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.151 3.150 -1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.001 1.951 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.907 3.223 1.252 1.00 0.00 H new ATOM 327 N ARG A 23 -2.104 4.607 -2.133 1.00 0.00 N ATOM 328 CA ARG A 23 -3.169 5.539 -2.483 1.00 0.00 C ATOM 329 C ARG A 23 -4.492 5.114 -1.851 1.00 0.00 C ATOM 330 O ARG A 23 -5.565 5.499 -2.313 1.00 0.00 O ATOM 331 CB ARG A 23 -3.322 5.624 -4.002 1.00 0.00 C ATOM 332 CG ARG A 23 -2.144 5.043 -4.767 1.00 0.00 C ATOM 333 CD ARG A 23 -2.048 5.626 -6.168 1.00 0.00 C ATOM 334 NE ARG A 23 -0.834 5.197 -6.858 1.00 0.00 N ATOM 335 CZ ARG A 23 0.374 5.678 -6.587 1.00 0.00 C ATOM 336 NH1 ARG A 23 0.529 6.599 -5.647 1.00 0.00 N ATOM 337 NH2 ARG A 23 1.431 5.237 -7.258 1.00 0.00 N ATOM 0 H ARG A 23 -1.942 3.873 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.900 6.522 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.230 5.099 -4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.450 6.668 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.221 5.245 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.247 3.960 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.920 5.323 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.066 6.714 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.919 4.489 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.281 6.941 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.458 6.966 -5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.316 4.528 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.358 5.607 -7.049 1.00 0.00 H new ATOM 351 N GLY A 24 -4.406 4.316 -0.791 1.00 0.00 N ATOM 352 CA GLY A 24 -5.602 3.851 -0.113 1.00 0.00 C ATOM 353 C GLY A 24 -5.628 4.242 1.351 1.00 0.00 C ATOM 354 O GLY A 24 -6.683 4.574 1.895 1.00 0.00 O ATOM 0 H GLY A 24 -3.529 3.983 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.481 4.261 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.665 2.766 -0.197 1.00 0.00 H new ATOM 358 N CYS A 25 -4.466 4.202 1.993 1.00 0.00 N ATOM 359 CA CYS A 25 -4.359 4.553 3.404 1.00 0.00 C ATOM 360 C CYS A 25 -3.471 5.780 3.594 1.00 0.00 C ATOM 361 O CYS A 25 -3.461 6.393 4.661 1.00 0.00 O ATOM 362 CB CYS A 25 -3.796 3.376 4.203 1.00 0.00 C ATOM 363 SG CYS A 25 -2.357 2.572 3.428 1.00 0.00 S ATOM 0 H CYS A 25 -3.584 3.930 1.558 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.358 4.788 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.512 3.727 5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.583 2.634 4.340 1.00 0.00 H new ATOM 368 N ASN A 26 -2.728 6.134 2.550 1.00 0.00 N ATOM 369 CA ASN A 26 -1.838 7.287 2.601 1.00 0.00 C ATOM 370 C ASN A 26 -0.595 6.978 3.430 1.00 0.00 C ATOM 371 O ASN A 26 0.083 7.885 3.915 1.00 0.00 O ATOM 372 CB ASN A 26 -2.568 8.496 3.188 1.00 0.00 C ATOM 373 CG ASN A 26 -4.075 8.381 3.058 1.00 0.00 C ATOM 374 OD1 ASN A 26 -4.809 8.573 4.027 1.00 0.00 O ATOM 375 ND2 ASN A 26 -4.542 8.066 1.855 1.00 0.00 N ATOM 0 H ASN A 26 -2.725 5.638 1.659 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.526 7.519 1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.304 8.601 4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.231 9.401 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.547 7.974 1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.896 7.916 1.080 1.00 0.00 H new ATOM 382 N HIS A 27 -0.300 5.692 3.589 1.00 0.00 N ATOM 383 CA HIS A 27 0.861 5.262 4.359 1.00 0.00 C ATOM 384 C HIS A 27 1.968 4.757 3.436 1.00 0.00 C ATOM 385 O HIS A 27 1.708 4.356 2.302 1.00 0.00 O ATOM 386 CB HIS A 27 0.467 4.167 5.349 1.00 0.00 C ATOM 387 CG HIS A 27 -0.599 4.586 6.314 1.00 0.00 C ATOM 388 ND1 HIS A 27 -0.595 5.806 6.957 1.00 0.00 N ATOM 389 CD2 HIS A 27 -1.709 3.941 6.743 1.00 0.00 C ATOM 390 CE1 HIS A 27 -1.655 5.893 7.740 1.00 0.00 C ATOM 391 NE2 HIS A 27 -2.348 4.774 7.628 1.00 0.00 N ATOM 0 H HIS A 27 -0.850 4.929 3.194 1.00 0.00 H new ATOM 0 HA HIS A 27 1.237 6.122 4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.121 3.295 4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.351 3.859 5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.032 2.955 6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.911 6.735 8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.217 4.563 8.119 1.00 0.00 H new ATOM 399 N LEU A 28 3.200 4.781 3.931 1.00 0.00 N ATOM 400 CA LEU A 28 4.346 4.327 3.152 1.00 0.00 C ATOM 401 C LEU A 28 4.381 2.804 3.072 1.00 0.00 C ATOM 402 O LEU A 28 3.955 2.113 3.998 1.00 0.00 O ATOM 403 CB LEU A 28 5.646 4.846 3.769 1.00 0.00 C ATOM 404 CG LEU A 28 5.991 6.306 3.478 1.00 0.00 C ATOM 405 CD1 LEU A 28 7.301 6.691 4.148 1.00 0.00 C ATOM 406 CD2 LEU A 28 6.067 6.548 1.977 1.00 0.00 C ATOM 0 H LEU A 28 3.431 5.110 4.868 1.00 0.00 H new ATOM 0 HA LEU A 28 4.247 4.724 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.589 4.715 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.467 4.222 3.415 1.00 0.00 H new ATOM 0 HG LEU A 28 5.199 6.933 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.529 7.734 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.211 6.558 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.103 6.057 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.314 7.593 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.837 5.910 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.105 6.315 1.522 1.00 0.00 H new ATOM 418 N VAL A 29 4.892 2.286 1.959 1.00 0.00 N ATOM 419 CA VAL A 29 4.985 0.845 1.760 1.00 0.00 C ATOM 420 C VAL A 29 6.128 0.494 0.814 1.00 0.00 C ATOM 421 O VAL A 29 6.139 0.909 -0.345 1.00 0.00 O ATOM 422 CB VAL A 29 3.672 0.270 1.196 1.00 0.00 C ATOM 423 CG1 VAL A 29 3.179 -0.881 2.059 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.616 1.359 1.092 1.00 0.00 C ATOM 0 H VAL A 29 5.248 2.843 1.182 1.00 0.00 H new ATOM 0 HA VAL A 29 5.176 0.402 2.737 1.00 0.00 H new ATOM 0 HB VAL A 29 3.864 -0.115 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.251 -1.274 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.931 -1.670 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.002 -0.525 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.695 0.936 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.424 1.776 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.971 2.148 0.429 1.00 0.00 H new ATOM 434 N CYS A 30 7.090 -0.273 1.316 1.00 0.00 N ATOM 435 CA CYS A 30 8.239 -0.682 0.518 1.00 0.00 C ATOM 436 C CYS A 30 7.792 -1.266 -0.819 1.00 0.00 C ATOM 437 O CYS A 30 6.599 -1.322 -1.116 1.00 0.00 O ATOM 438 CB CYS A 30 9.079 -1.708 1.282 1.00 0.00 C ATOM 439 SG CYS A 30 8.174 -3.224 1.727 1.00 0.00 S ATOM 0 H CYS A 30 7.096 -0.624 2.274 1.00 0.00 H new ATOM 0 HA CYS A 30 8.848 0.201 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.943 -1.978 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.460 -1.245 2.192 1.00 0.00 H new ATOM 444 N ARG A 31 8.759 -1.701 -1.621 1.00 0.00 N ATOM 445 CA ARG A 31 8.465 -2.282 -2.926 1.00 0.00 C ATOM 446 C ARG A 31 8.159 -3.771 -2.803 1.00 0.00 C ATOM 447 O ARG A 31 8.209 -4.509 -3.786 1.00 0.00 O ATOM 448 CB ARG A 31 9.645 -2.070 -3.878 1.00 0.00 C ATOM 449 CG ARG A 31 10.180 -0.648 -3.877 1.00 0.00 C ATOM 450 CD ARG A 31 10.352 -0.116 -5.292 1.00 0.00 C ATOM 451 NE ARG A 31 11.478 -0.743 -5.980 1.00 0.00 N ATOM 452 CZ ARG A 31 11.879 -0.397 -7.197 1.00 0.00 C ATOM 453 NH1 ARG A 31 11.250 0.566 -7.858 1.00 0.00 N ATOM 454 NH2 ARG A 31 12.912 -1.014 -7.756 1.00 0.00 N ATOM 0 H ARG A 31 9.752 -1.662 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 31 7.585 -1.781 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.450 -2.752 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.336 -2.332 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.498 -0.002 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.138 -0.619 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.438 -0.292 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.504 0.963 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 31 11.983 -1.487 -5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.456 1.043 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.561 0.830 -8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.398 -1.755 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.220 -0.748 -8.691 1.00 0.00 H new ATOM 468 N ASP A 32 7.841 -4.205 -1.588 1.00 0.00 N ATOM 469 CA ASP A 32 7.524 -5.607 -1.336 1.00 0.00 C ATOM 470 C ASP A 32 6.175 -5.742 -0.637 1.00 0.00 C ATOM 471 O ASP A 32 5.642 -6.843 -0.502 1.00 0.00 O ATOM 472 CB ASP A 32 8.620 -6.253 -0.487 1.00 0.00 C ATOM 473 CG ASP A 32 8.683 -7.757 -0.671 1.00 0.00 C ATOM 474 OD1 ASP A 32 8.836 -8.474 0.340 1.00 0.00 O ATOM 475 OD2 ASP A 32 8.578 -8.218 -1.827 1.00 0.00 O ATOM 0 H ASP A 32 7.796 -3.607 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 32 7.468 -6.121 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.584 -5.817 -0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.443 -6.025 0.564 1.00 0.00 H new ATOM 480 N CYS A 33 5.629 -4.615 -0.192 1.00 0.00 N ATOM 481 CA CYS A 33 4.344 -4.607 0.495 1.00 0.00 C ATOM 482 C CYS A 33 3.246 -4.059 -0.412 1.00 0.00 C ATOM 483 O CYS A 33 2.093 -3.928 0.000 1.00 0.00 O ATOM 484 CB CYS A 33 4.429 -3.769 1.773 1.00 0.00 C ATOM 485 SG CYS A 33 5.379 -4.555 3.115 1.00 0.00 S ATOM 0 H CYS A 33 6.057 -3.695 -0.295 1.00 0.00 H new ATOM 0 HA CYS A 33 4.095 -5.635 0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.884 -2.808 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.419 -3.564 2.129 1.00 0.00 H new ATOM 490 N ARG A 34 3.612 -3.741 -1.649 1.00 0.00 N ATOM 491 CA ARG A 34 2.659 -3.207 -2.615 1.00 0.00 C ATOM 492 C ARG A 34 2.131 -4.312 -3.526 1.00 0.00 C ATOM 493 O ARG A 34 2.900 -5.117 -4.050 1.00 0.00 O ATOM 494 CB ARG A 34 3.313 -2.108 -3.454 1.00 0.00 C ATOM 495 CG ARG A 34 4.573 -1.533 -2.830 1.00 0.00 C ATOM 496 CD ARG A 34 5.143 -0.398 -3.667 1.00 0.00 C ATOM 497 NE ARG A 34 5.864 -0.889 -4.838 1.00 0.00 N ATOM 498 CZ ARG A 34 6.255 -0.111 -5.840 1.00 0.00 C ATOM 499 NH1 ARG A 34 5.997 1.189 -5.813 1.00 0.00 N ATOM 500 NH2 ARG A 34 6.907 -0.632 -6.871 1.00 0.00 N ATOM 0 H ARG A 34 4.562 -3.844 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 34 1.820 -2.783 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.556 -2.510 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.594 -1.303 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.350 -1.170 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.320 -2.320 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.333 0.257 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.815 0.203 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 34 6.079 -1.885 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.497 1.593 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.298 1.785 -6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.108 -1.632 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.207 -0.033 -7.640 1.00 0.00 H new ATOM 514 N ILE A 35 0.815 -4.342 -3.710 1.00 0.00 N ATOM 515 CA ILE A 35 0.186 -5.346 -4.558 1.00 0.00 C ATOM 516 C ILE A 35 -0.276 -4.740 -5.878 1.00 0.00 C ATOM 517 O ILE A 35 -1.032 -3.768 -5.895 1.00 0.00 O ATOM 518 CB ILE A 35 -1.019 -6.000 -3.855 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.542 -7.029 -2.828 1.00 0.00 C ATOM 520 CG2 ILE A 35 -1.938 -6.652 -4.878 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.359 -6.446 -1.762 1.00 0.00 C ATOM 0 H ILE A 35 0.164 -3.683 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 35 0.939 -6.109 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.580 -5.226 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.410 -7.483 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.010 -7.827 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.785 -7.110 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.300 -5.897 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.388 -7.417 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.658 -7.232 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.246 -6.017 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.177 -5.668 -1.218 1.00 0.00 H new ATOM 533 N GLN A 36 0.181 -5.321 -6.982 1.00 0.00 N ATOM 534 CA GLN A 36 -0.187 -4.837 -8.308 1.00 0.00 C ATOM 535 C GLN A 36 -1.692 -4.955 -8.531 1.00 0.00 C ATOM 536 O GLN A 36 -2.258 -6.044 -8.439 1.00 0.00 O ATOM 537 CB GLN A 36 0.564 -5.621 -9.386 1.00 0.00 C ATOM 538 CG GLN A 36 2.042 -5.274 -9.472 1.00 0.00 C ATOM 539 CD GLN A 36 2.651 -4.977 -8.115 1.00 0.00 C ATOM 540 OE1 GLN A 36 3.238 -5.855 -7.481 1.00 0.00 O ATOM 541 NE2 GLN A 36 2.515 -3.736 -7.664 1.00 0.00 N ATOM 0 H GLN A 36 0.806 -6.127 -6.985 1.00 0.00 H new ATOM 0 HA GLN A 36 0.091 -3.785 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.461 -6.688 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.098 -5.431 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.580 -6.102 -9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.171 -4.408 -10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.021 -3.041 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.905 -3.477 -6.758 1.00 0.00 H new ATOM 550 N GLU A 37 -2.331 -3.828 -8.827 1.00 0.00 N ATOM 551 CA GLU A 37 -3.770 -3.806 -9.063 1.00 0.00 C ATOM 552 C GLU A 37 -4.075 -3.715 -10.555 1.00 0.00 C ATOM 553 O GLU A 37 -3.221 -3.326 -11.351 1.00 0.00 O ATOM 554 CB GLU A 37 -4.412 -2.627 -8.327 1.00 0.00 C ATOM 555 CG GLU A 37 -4.254 -2.694 -6.818 1.00 0.00 C ATOM 556 CD GLU A 37 -5.502 -3.202 -6.123 1.00 0.00 C ATOM 557 OE1 GLU A 37 -5.684 -4.436 -6.056 1.00 0.00 O ATOM 558 OE2 GLU A 37 -6.300 -2.367 -5.646 1.00 0.00 O ATOM 0 H GLU A 37 -1.876 -2.919 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.190 -4.736 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.970 -1.699 -8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.474 -2.591 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.415 -3.346 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.009 -1.702 -6.438 1.00 0.00 H new ATOM 565 N SER A 38 -5.298 -4.079 -10.926 1.00 0.00 N ATOM 566 CA SER A 38 -5.717 -4.043 -12.322 1.00 0.00 C ATOM 567 C SER A 38 -6.449 -2.743 -12.637 1.00 0.00 C ATOM 568 O SER A 38 -7.678 -2.700 -12.663 1.00 0.00 O ATOM 569 CB SER A 38 -6.618 -5.238 -12.637 1.00 0.00 C ATOM 570 OG SER A 38 -5.855 -6.355 -13.062 1.00 0.00 O ATOM 0 H SER A 38 -6.017 -4.403 -10.279 1.00 0.00 H new ATOM 0 HA SER A 38 -4.824 -4.096 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.196 -5.504 -11.752 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.332 -4.964 -13.414 1.00 0.00 H new ATOM 0 HG SER A 38 -6.454 -7.106 -13.255 1.00 0.00 H new ATOM 576 N ASN A 39 -5.683 -1.683 -12.876 1.00 0.00 N ATOM 577 CA ASN A 39 -6.258 -0.379 -13.189 1.00 0.00 C ATOM 578 C ASN A 39 -5.169 0.615 -13.583 1.00 0.00 C ATOM 579 O ASN A 39 -5.380 1.480 -14.431 1.00 0.00 O ATOM 580 CB ASN A 39 -7.044 0.156 -11.991 1.00 0.00 C ATOM 581 CG ASN A 39 -8.543 0.087 -12.207 1.00 0.00 C ATOM 582 OD1 ASN A 39 -9.011 -0.143 -13.321 1.00 0.00 O ATOM 583 ND2 ASN A 39 -9.305 0.289 -11.137 1.00 0.00 N ATOM 0 H ASN A 39 -4.663 -1.701 -12.859 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.936 -0.502 -14.034 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.781 -0.417 -11.102 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.754 1.189 -11.802 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.321 0.256 -11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.874 0.477 -10.232 1.00 0.00 H new ATOM 590 N GLY A 40 -4.003 0.485 -12.957 1.00 0.00 N ATOM 591 CA GLY A 40 -2.898 1.377 -13.255 1.00 0.00 C ATOM 592 C GLY A 40 -2.187 1.858 -12.005 1.00 0.00 C ATOM 593 O GLY A 40 -1.219 2.614 -12.083 1.00 0.00 O ATOM 0 H GLY A 40 -3.804 -0.222 -12.249 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.185 0.864 -13.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.270 2.237 -13.812 1.00 0.00 H new ATOM 597 N THR A 41 -2.670 1.419 -10.846 1.00 0.00 N ATOM 598 CA THR A 41 -2.078 1.811 -9.574 1.00 0.00 C ATOM 599 C THR A 41 -1.720 0.590 -8.734 1.00 0.00 C ATOM 600 O THR A 41 -1.544 -0.508 -9.263 1.00 0.00 O ATOM 601 CB THR A 41 -3.027 2.715 -8.766 1.00 0.00 C ATOM 602 OG1 THR A 41 -2.325 3.305 -7.666 1.00 0.00 O ATOM 603 CG2 THR A 41 -4.219 1.923 -8.249 1.00 0.00 C ATOM 0 H THR A 41 -3.470 0.792 -10.763 1.00 0.00 H new ATOM 0 HA THR A 41 -1.170 2.367 -9.807 1.00 0.00 H new ATOM 0 HB THR A 41 -3.393 3.502 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.860 3.215 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.875 2.582 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.768 1.501 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.868 1.117 -7.604 1.00 0.00 H new ATOM 611 N TRP A 42 -1.615 0.788 -7.426 1.00 0.00 N ATOM 612 CA TRP A 42 -1.279 -0.299 -6.513 1.00 0.00 C ATOM 613 C TRP A 42 -1.793 -0.008 -5.107 1.00 0.00 C ATOM 614 O TRP A 42 -2.097 1.137 -4.772 1.00 0.00 O ATOM 615 CB TRP A 42 0.235 -0.515 -6.481 1.00 0.00 C ATOM 616 CG TRP A 42 1.000 0.700 -6.055 1.00 0.00 C ATOM 617 CD1 TRP A 42 1.554 1.647 -6.869 1.00 0.00 C ATOM 618 CD2 TRP A 42 1.298 1.099 -4.712 1.00 0.00 C ATOM 619 NE1 TRP A 42 2.178 2.610 -6.113 1.00 0.00 N ATOM 620 CE2 TRP A 42 2.034 2.298 -4.787 1.00 0.00 C ATOM 621 CE3 TRP A 42 1.012 0.561 -3.454 1.00 0.00 C ATOM 622 CZ2 TRP A 42 2.489 2.963 -3.652 1.00 0.00 C ATOM 623 CZ3 TRP A 42 1.464 1.224 -2.329 1.00 0.00 C ATOM 624 CH2 TRP A 42 2.195 2.415 -2.434 1.00 0.00 C ATOM 0 H TRP A 42 -1.757 1.691 -6.973 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.761 -1.207 -6.875 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.463 -1.336 -5.801 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.572 -0.819 -7.472 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.508 1.640 -7.948 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.669 3.425 -6.480 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.448 -0.356 -3.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.054 3.880 -3.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.250 0.817 -1.352 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.533 2.910 -1.535 1.00 0.00 H new ATOM 635 N ARG A 43 -1.889 -1.051 -4.289 1.00 0.00 N ATOM 636 CA ARG A 43 -2.367 -0.906 -2.919 1.00 0.00 C ATOM 637 C ARG A 43 -1.651 -1.879 -1.988 1.00 0.00 C ATOM 638 O ARG A 43 -1.468 -3.051 -2.318 1.00 0.00 O ATOM 639 CB ARG A 43 -3.878 -1.140 -2.858 1.00 0.00 C ATOM 640 CG ARG A 43 -4.699 0.054 -3.312 1.00 0.00 C ATOM 641 CD ARG A 43 -5.216 0.858 -2.129 1.00 0.00 C ATOM 642 NE ARG A 43 -6.675 0.894 -2.087 1.00 0.00 N ATOM 643 CZ ARG A 43 -7.424 1.469 -3.021 1.00 0.00 C ATOM 644 NH1 ARG A 43 -6.852 2.054 -4.066 1.00 0.00 N ATOM 645 NH2 ARG A 43 -8.746 1.460 -2.912 1.00 0.00 N ATOM 0 H ARG A 43 -1.642 -2.005 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.150 0.110 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.129 -2.000 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.157 -1.394 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.090 0.694 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.540 -0.289 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.837 0.425 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.830 1.876 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.145 0.453 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.836 2.062 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.429 2.495 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.189 1.011 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.320 1.902 -3.630 1.00 0.00 H new ATOM 659 N CYS A 44 -1.248 -1.386 -0.822 1.00 0.00 N ATOM 660 CA CYS A 44 -0.551 -2.210 0.159 1.00 0.00 C ATOM 661 C CYS A 44 -1.260 -3.548 0.346 1.00 0.00 C ATOM 662 O CYS A 44 -2.380 -3.743 -0.128 1.00 0.00 O ATOM 663 CB CYS A 44 -0.458 -1.477 1.498 1.00 0.00 C ATOM 664 SG CYS A 44 -2.059 -1.263 2.342 1.00 0.00 S ATOM 0 H CYS A 44 -1.392 -0.419 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 44 0.456 -2.401 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.216 -2.027 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.013 -0.496 1.333 1.00 0.00 H new ATOM 669 N LYS A 45 -0.600 -4.468 1.041 1.00 0.00 N ATOM 670 CA LYS A 45 -1.166 -5.788 1.294 1.00 0.00 C ATOM 671 C LYS A 45 -2.336 -5.700 2.269 1.00 0.00 C ATOM 672 O LYS A 45 -3.054 -6.678 2.482 1.00 0.00 O ATOM 673 CB LYS A 45 -0.093 -6.728 1.850 1.00 0.00 C ATOM 674 CG LYS A 45 1.323 -6.316 1.487 1.00 0.00 C ATOM 675 CD LYS A 45 2.288 -7.484 1.597 1.00 0.00 C ATOM 676 CE LYS A 45 2.350 -8.279 0.302 1.00 0.00 C ATOM 677 NZ LYS A 45 3.430 -9.305 0.333 1.00 0.00 N ATOM 0 H LYS A 45 0.328 -4.324 1.439 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.533 -6.186 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.184 -6.768 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.276 -7.736 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.340 -5.924 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.649 -5.510 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.282 -7.114 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.978 -8.138 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.391 -8.766 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.518 -7.600 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.440 -9.826 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.349 -8.838 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.256 -9.968 1.115 1.00 0.00 H new ATOM 691 N VAL A 46 -2.523 -4.524 2.859 1.00 0.00 N ATOM 692 CA VAL A 46 -3.607 -4.309 3.809 1.00 0.00 C ATOM 693 C VAL A 46 -4.833 -3.719 3.120 1.00 0.00 C ATOM 694 O VAL A 46 -5.949 -3.806 3.632 1.00 0.00 O ATOM 695 CB VAL A 46 -3.174 -3.373 4.952 1.00 0.00 C ATOM 696 CG1 VAL A 46 -4.168 -3.436 6.101 1.00 0.00 C ATOM 697 CG2 VAL A 46 -1.773 -3.725 5.428 1.00 0.00 C ATOM 0 H VAL A 46 -1.937 -3.705 2.695 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.862 -5.284 4.225 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.158 -2.351 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.845 -2.768 6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.152 -3.129 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.221 -4.456 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.484 -3.053 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.759 -4.753 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.071 -3.621 4.601 1.00 0.00 H new ATOM 707 N CYS A 47 -4.618 -3.120 1.953 1.00 0.00 N ATOM 708 CA CYS A 47 -5.705 -2.515 1.192 1.00 0.00 C ATOM 709 C CYS A 47 -6.091 -3.393 0.005 1.00 0.00 C ATOM 710 O CYS A 47 -7.268 -3.512 -0.335 1.00 0.00 O ATOM 711 CB CYS A 47 -5.298 -1.124 0.700 1.00 0.00 C ATOM 712 SG CYS A 47 -5.193 0.129 2.020 1.00 0.00 S ATOM 0 H CYS A 47 -3.701 -3.041 1.514 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.569 -2.422 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.331 -1.195 0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.017 -0.790 -0.048 1.00 0.00 H new ATOM 717 N ALA A 48 -5.092 -4.005 -0.621 1.00 0.00 N ATOM 718 CA ALA A 48 -5.327 -4.874 -1.768 1.00 0.00 C ATOM 719 C ALA A 48 -5.948 -6.198 -1.336 1.00 0.00 C ATOM 720 O ALA A 48 -6.716 -6.807 -2.080 1.00 0.00 O ATOM 721 CB ALA A 48 -4.027 -5.119 -2.520 1.00 0.00 C ATOM 0 H ALA A 48 -4.112 -3.915 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.030 -4.373 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.218 -5.769 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.625 -4.169 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.306 -5.595 -1.855 1.00 0.00 H new ATOM 727 N LYS A 49 -5.610 -6.639 -0.128 1.00 0.00 N ATOM 728 CA LYS A 49 -6.134 -7.891 0.404 1.00 0.00 C ATOM 729 C LYS A 49 -7.344 -7.638 1.298 1.00 0.00 C ATOM 730 O LYS A 49 -7.239 -6.959 2.319 1.00 0.00 O ATOM 731 CB LYS A 49 -5.049 -8.628 1.193 1.00 0.00 C ATOM 732 CG LYS A 49 -5.430 -10.050 1.568 1.00 0.00 C ATOM 733 CD LYS A 49 -4.474 -11.062 0.959 1.00 0.00 C ATOM 734 CE LYS A 49 -4.978 -11.564 -0.386 1.00 0.00 C ATOM 735 NZ LYS A 49 -4.530 -12.957 -0.660 1.00 0.00 N ATOM 0 H LYS A 49 -4.975 -6.147 0.501 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.448 -8.511 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.133 -8.650 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.829 -8.068 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.429 -10.154 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.445 -10.257 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.491 -10.607 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.351 -11.904 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.067 -11.522 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.620 -10.905 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.893 -13.263 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.491 -12.992 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.893 -13.590 0.081 1.00 0.00 H new ATOM 749 N GLU A 50 -8.489 -8.189 0.907 1.00 0.00 N ATOM 750 CA GLU A 50 -9.717 -8.022 1.674 1.00 0.00 C ATOM 751 C GLU A 50 -9.477 -8.309 3.154 1.00 0.00 C ATOM 752 O GLU A 50 -9.273 -9.457 3.549 1.00 0.00 O ATOM 753 CB GLU A 50 -10.811 -8.945 1.135 1.00 0.00 C ATOM 754 CG GLU A 50 -10.442 -10.419 1.183 1.00 0.00 C ATOM 755 CD GLU A 50 -10.943 -11.184 -0.027 1.00 0.00 C ATOM 756 OE1 GLU A 50 -10.178 -12.017 -0.559 1.00 0.00 O ATOM 757 OE2 GLU A 50 -12.098 -10.952 -0.441 1.00 0.00 O ATOM 0 H GLU A 50 -8.591 -8.754 0.064 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.042 -6.987 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.723 -8.788 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.033 -8.668 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.358 -10.517 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.856 -10.864 2.087 1.00 0.00 H new ATOM 764 N ILE A 51 -9.503 -7.258 3.967 1.00 0.00 N ATOM 765 CA ILE A 51 -9.289 -7.397 5.402 1.00 0.00 C ATOM 766 C ILE A 51 -10.225 -8.443 5.998 1.00 0.00 C ATOM 767 O ILE A 51 -11.385 -8.548 5.604 1.00 0.00 O ATOM 768 CB ILE A 51 -9.499 -6.059 6.134 1.00 0.00 C ATOM 769 CG1 ILE A 51 -9.118 -6.195 7.610 1.00 0.00 C ATOM 770 CG2 ILE A 51 -10.944 -5.600 5.995 1.00 0.00 C ATOM 771 CD1 ILE A 51 -8.620 -4.907 8.226 1.00 0.00 C ATOM 0 H ILE A 51 -9.670 -6.301 3.656 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.256 -7.718 5.538 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.854 -5.308 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.985 -6.545 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.346 -6.958 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.077 -4.653 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.184 -5.469 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.607 -6.349 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.369 -5.078 9.273 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.734 -4.567 7.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.398 -4.147 8.159 1.00 0.00 H new ATOM 783 N GLU A 52 -9.710 -9.213 6.952 1.00 0.00 N ATOM 784 CA GLU A 52 -10.502 -10.251 7.604 1.00 0.00 C ATOM 785 C GLU A 52 -11.256 -9.687 8.805 1.00 0.00 C ATOM 786 O GLU A 52 -12.434 -9.984 9.008 1.00 0.00 O ATOM 787 CB GLU A 52 -9.601 -11.405 8.049 1.00 0.00 C ATOM 788 CG GLU A 52 -9.861 -11.864 9.473 1.00 0.00 C ATOM 789 CD GLU A 52 -9.094 -13.124 9.829 1.00 0.00 C ATOM 790 OE1 GLU A 52 -9.344 -14.169 9.193 1.00 0.00 O ATOM 791 OE2 GLU A 52 -8.245 -13.063 10.743 1.00 0.00 O ATOM 0 H GLU A 52 -8.751 -9.138 7.290 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.230 -10.624 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.743 -12.248 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.559 -11.097 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.585 -11.067 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.928 -12.043 9.604 1.00 0.00 H new ATOM 798 N LEU A 53 -10.568 -8.871 9.597 1.00 0.00 N ATOM 799 CA LEU A 53 -11.171 -8.266 10.779 1.00 0.00 C ATOM 800 C LEU A 53 -12.400 -7.445 10.403 1.00 0.00 C ATOM 801 O LEU A 53 -12.652 -7.247 9.215 1.00 0.00 O ATOM 802 CB LEU A 53 -10.152 -7.378 11.498 1.00 0.00 C ATOM 803 CG LEU A 53 -10.066 -7.549 13.014 1.00 0.00 C ATOM 804 CD1 LEU A 53 -11.447 -7.454 13.642 1.00 0.00 C ATOM 805 CD2 LEU A 53 -9.409 -8.876 13.366 1.00 0.00 C ATOM 0 H LEU A 53 -9.593 -8.614 9.442 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.482 -9.068 11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.167 -7.573 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.391 -6.337 11.283 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.451 -6.744 13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.365 -7.578 14.722 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.881 -6.479 13.421 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.087 -8.237 13.234 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.357 -8.980 14.450 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.997 -9.695 12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.402 -8.905 12.950 1.00 0.00 H new TER 817 LEU A 53 HETATM 818 ZN ZN A 201 7.122 -3.167 3.805 1.00 0.00 ZN HETATM 819 ZN ZN A 202 -2.977 0.856 1.934 1.00 0.00 ZN