USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 22 CYS SG : rot 70:sc= 1.24 USER MOD Set 1.2: A 25 CYS SG : rot -62:sc= -0.0562 USER MOD Set 1.3: A 42 CYS SG : rot 75:sc= 1.27 USER MOD Set 1.4: A 45 CYS SG : rot 128:sc= -0.441 USER MOD Set 2.1: A 37 CYS SG : rot 111:sc= -1.1 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -0.933 K(o=-2.7,f=-3.9) USER MOD Set 2.3: A 62 CYS SG : rot 139:sc= 0.0867 USER MOD Set 2.4: A 65 CYS SG : rot -52:sc= -0.719 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -1.17 (180deg=-2.52!) USER MOD Single : A 21 THR OG1 : rot 25:sc= 0.189 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0198) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= -0.843 USER MOD Single : A 47 THR OG1 : rot 81:sc= 0.829 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 73 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.05) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 19.956 -7.847 -37.046 1.00 0.00 N ATOM 31 CA GLY A 4 20.122 -8.241 -35.660 1.00 0.00 C ATOM 32 C GLY A 4 20.978 -9.483 -35.509 1.00 0.00 C ATOM 33 O GLY A 4 21.584 -9.949 -36.474 1.00 0.00 O ATOM 0 HA2 GLY A 4 20.576 -7.421 -35.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.143 -8.422 -35.217 1.00 0.00 H new ATOM 37 N SER A 5 21.030 -10.020 -34.294 1.00 0.00 N ATOM 38 CA SER A 5 21.823 -11.213 -34.019 1.00 0.00 C ATOM 39 C SER A 5 21.088 -12.144 -33.059 1.00 0.00 C ATOM 40 O SER A 5 20.018 -11.810 -32.549 1.00 0.00 O ATOM 41 CB SER A 5 23.180 -10.824 -33.430 1.00 0.00 C ATOM 42 OG SER A 5 24.157 -11.813 -33.704 1.00 0.00 O ATOM 0 H SER A 5 20.533 -9.648 -33.485 1.00 0.00 H new ATOM 0 HA SER A 5 21.980 -11.740 -34.960 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.499 -9.868 -33.845 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.087 -10.689 -32.352 1.00 0.00 H new ATOM 0 HG SER A 5 25.016 -11.540 -33.319 1.00 0.00 H new ATOM 48 N SER A 6 21.670 -13.314 -32.818 1.00 0.00 N ATOM 49 CA SER A 6 21.070 -14.297 -31.923 1.00 0.00 C ATOM 50 C SER A 6 22.134 -14.964 -31.057 1.00 0.00 C ATOM 51 O SER A 6 23.327 -14.716 -31.219 1.00 0.00 O ATOM 52 CB SER A 6 20.313 -15.356 -32.728 1.00 0.00 C ATOM 53 OG SER A 6 19.205 -14.788 -33.404 1.00 0.00 O ATOM 0 H SER A 6 22.557 -13.605 -33.230 1.00 0.00 H new ATOM 0 HA SER A 6 20.369 -13.777 -31.270 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.986 -15.818 -33.451 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.970 -16.147 -32.061 1.00 0.00 H new ATOM 0 HG SER A 6 18.739 -15.485 -33.912 1.00 0.00 H new ATOM 59 N GLY A 7 21.690 -15.813 -30.134 1.00 0.00 N ATOM 60 CA GLY A 7 22.615 -16.503 -29.255 1.00 0.00 C ATOM 61 C GLY A 7 22.181 -17.924 -28.956 1.00 0.00 C ATOM 62 O GLY A 7 21.863 -18.687 -29.867 1.00 0.00 O ATOM 0 H GLY A 7 20.706 -16.035 -29.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.604 -16.517 -29.713 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.704 -15.950 -28.320 1.00 0.00 H new ATOM 66 N MET A 8 22.168 -18.280 -27.676 1.00 0.00 N ATOM 67 CA MET A 8 21.770 -19.620 -27.260 1.00 0.00 C ATOM 68 C MET A 8 21.059 -19.582 -25.911 1.00 0.00 C ATOM 69 O MET A 8 21.278 -18.674 -25.109 1.00 0.00 O ATOM 70 CB MET A 8 22.992 -20.537 -27.179 1.00 0.00 C ATOM 71 CG MET A 8 23.700 -20.725 -28.511 1.00 0.00 C ATOM 72 SD MET A 8 25.424 -21.216 -28.319 1.00 0.00 S ATOM 73 CE MET A 8 25.702 -22.086 -29.859 1.00 0.00 C ATOM 0 H MET A 8 22.428 -17.660 -26.909 1.00 0.00 H new ATOM 0 HA MET A 8 21.078 -20.013 -28.005 1.00 0.00 H new ATOM 0 HB2 MET A 8 23.697 -20.126 -26.457 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.681 -21.511 -26.802 1.00 0.00 H new ATOM 0 HG2 MET A 8 23.174 -21.481 -29.094 1.00 0.00 H new ATOM 0 HG3 MET A 8 23.652 -19.795 -29.078 1.00 0.00 H new ATOM 0 HE1 MET A 8 26.728 -22.452 -29.890 1.00 0.00 H new ATOM 0 HE2 MET A 8 25.014 -22.929 -29.930 1.00 0.00 H new ATOM 0 HE3 MET A 8 25.533 -21.408 -30.696 1.00 0.00 H new ATOM 83 N ALA A 9 20.206 -20.572 -25.668 1.00 0.00 N ATOM 84 CA ALA A 9 19.465 -20.651 -24.416 1.00 0.00 C ATOM 85 C ALA A 9 18.681 -21.956 -24.324 1.00 0.00 C ATOM 86 O ALA A 9 18.599 -22.712 -25.292 1.00 0.00 O ATOM 87 CB ALA A 9 18.527 -19.460 -24.281 1.00 0.00 C ATOM 0 H ALA A 9 20.011 -21.330 -26.322 1.00 0.00 H new ATOM 0 HA ALA A 9 20.183 -20.629 -23.596 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.980 -19.532 -23.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.107 -18.537 -24.293 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.822 -19.456 -25.112 1.00 0.00 H new ATOM 93 N SER A 10 18.108 -22.216 -23.153 1.00 0.00 N ATOM 94 CA SER A 10 17.335 -23.432 -22.933 1.00 0.00 C ATOM 95 C SER A 10 15.940 -23.103 -22.412 1.00 0.00 C ATOM 96 O SER A 10 15.758 -22.154 -21.649 1.00 0.00 O ATOM 97 CB SER A 10 18.057 -24.349 -21.944 1.00 0.00 C ATOM 98 OG SER A 10 18.147 -23.748 -20.664 1.00 0.00 O ATOM 0 H SER A 10 18.165 -21.600 -22.342 1.00 0.00 H new ATOM 0 HA SER A 10 17.235 -23.946 -23.889 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.525 -25.297 -21.867 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.057 -24.574 -22.315 1.00 0.00 H new ATOM 0 HG SER A 10 18.611 -24.355 -20.050 1.00 0.00 H new ATOM 104 N SER A 11 14.956 -23.893 -22.831 1.00 0.00 N ATOM 105 CA SER A 11 13.576 -23.684 -22.411 1.00 0.00 C ATOM 106 C SER A 11 12.737 -24.934 -22.658 1.00 0.00 C ATOM 107 O SER A 11 13.213 -25.910 -23.238 1.00 0.00 O ATOM 108 CB SER A 11 12.969 -22.493 -23.156 1.00 0.00 C ATOM 109 OG SER A 11 11.881 -21.941 -22.434 1.00 0.00 O ATOM 0 H SER A 11 15.090 -24.684 -23.461 1.00 0.00 H new ATOM 0 HA SER A 11 13.576 -23.473 -21.342 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.732 -21.730 -23.311 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.631 -22.811 -24.142 1.00 0.00 H new ATOM 0 HG SER A 11 11.512 -21.181 -22.930 1.00 0.00 H new ATOM 115 N VAL A 12 11.485 -24.897 -22.214 1.00 0.00 N ATOM 116 CA VAL A 12 10.578 -26.026 -22.387 1.00 0.00 C ATOM 117 C VAL A 12 9.416 -25.661 -23.304 1.00 0.00 C ATOM 118 O VAL A 12 9.209 -24.491 -23.627 1.00 0.00 O ATOM 119 CB VAL A 12 10.019 -26.509 -21.036 1.00 0.00 C ATOM 120 CG1 VAL A 12 11.146 -26.985 -20.131 1.00 0.00 C ATOM 121 CG2 VAL A 12 9.217 -25.404 -20.366 1.00 0.00 C ATOM 0 H VAL A 12 11.075 -24.097 -21.732 1.00 0.00 H new ATOM 0 HA VAL A 12 11.157 -26.831 -22.841 1.00 0.00 H new ATOM 0 HB VAL A 12 9.352 -27.351 -21.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.732 -27.322 -19.181 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.674 -27.810 -20.610 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.841 -26.164 -19.953 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.829 -25.763 -19.412 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.860 -24.541 -20.195 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.386 -25.116 -21.010 1.00 0.00 H new ATOM 131 N LEU A 13 8.661 -26.671 -23.723 1.00 0.00 N ATOM 132 CA LEU A 13 7.518 -26.458 -24.603 1.00 0.00 C ATOM 133 C LEU A 13 6.216 -26.431 -23.809 1.00 0.00 C ATOM 134 O LEU A 13 5.465 -27.406 -23.798 1.00 0.00 O ATOM 135 CB LEU A 13 7.457 -27.555 -25.667 1.00 0.00 C ATOM 136 CG LEU A 13 8.246 -27.290 -26.950 1.00 0.00 C ATOM 137 CD1 LEU A 13 8.669 -28.600 -27.597 1.00 0.00 C ATOM 138 CD2 LEU A 13 7.422 -26.456 -27.921 1.00 0.00 C ATOM 0 H LEU A 13 8.820 -27.645 -23.467 1.00 0.00 H new ATOM 0 HA LEU A 13 7.643 -25.492 -25.092 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.821 -28.483 -25.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.413 -27.717 -25.933 1.00 0.00 H new ATOM 0 HG LEU A 13 9.144 -26.729 -26.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.229 -28.391 -28.508 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.297 -29.161 -26.905 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.784 -29.187 -27.841 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.999 -26.277 -28.828 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.506 -26.990 -28.173 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.170 -25.502 -27.458 1.00 0.00 H new ATOM 150 N GLU A 14 5.954 -25.307 -23.149 1.00 0.00 N ATOM 151 CA GLU A 14 4.742 -25.154 -22.353 1.00 0.00 C ATOM 152 C GLU A 14 4.259 -23.707 -22.371 1.00 0.00 C ATOM 153 O GLU A 14 5.057 -22.774 -22.291 1.00 0.00 O ATOM 154 CB GLU A 14 4.991 -25.602 -20.911 1.00 0.00 C ATOM 155 CG GLU A 14 4.718 -27.079 -20.677 1.00 0.00 C ATOM 156 CD GLU A 14 3.239 -27.411 -20.710 1.00 0.00 C ATOM 157 OE1 GLU A 14 2.422 -26.503 -20.450 1.00 0.00 O ATOM 158 OE2 GLU A 14 2.899 -28.578 -20.996 1.00 0.00 O ATOM 0 H GLU A 14 6.564 -24.490 -23.150 1.00 0.00 H new ATOM 0 HA GLU A 14 3.968 -25.783 -22.792 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.026 -25.386 -20.646 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.361 -25.014 -20.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.235 -27.665 -21.437 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.131 -27.373 -19.712 1.00 0.00 H new ATOM 165 N MET A 15 2.946 -23.529 -22.477 1.00 0.00 N ATOM 166 CA MET A 15 2.356 -22.196 -22.505 1.00 0.00 C ATOM 167 C MET A 15 2.672 -21.434 -21.221 1.00 0.00 C ATOM 168 O MET A 15 2.530 -21.968 -20.121 1.00 0.00 O ATOM 169 CB MET A 15 0.841 -22.289 -22.695 1.00 0.00 C ATOM 170 CG MET A 15 0.135 -23.059 -21.591 1.00 0.00 C ATOM 171 SD MET A 15 -1.642 -22.758 -21.559 1.00 0.00 S ATOM 172 CE MET A 15 -2.249 -24.366 -21.055 1.00 0.00 C ATOM 0 H MET A 15 2.271 -24.291 -22.545 1.00 0.00 H new ATOM 0 HA MET A 15 2.788 -21.653 -23.345 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.427 -21.282 -22.746 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.632 -22.768 -23.651 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.316 -24.126 -21.724 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.564 -22.781 -20.628 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.337 -24.340 -20.990 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.947 -25.115 -21.787 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.833 -24.623 -20.081 1.00 0.00 H new ATOM 182 N ILE A 16 3.102 -20.186 -21.370 1.00 0.00 N ATOM 183 CA ILE A 16 3.438 -19.352 -20.223 1.00 0.00 C ATOM 184 C ILE A 16 2.308 -18.380 -19.901 1.00 0.00 C ATOM 185 O ILE A 16 1.654 -17.850 -20.799 1.00 0.00 O ATOM 186 CB ILE A 16 4.733 -18.554 -20.466 1.00 0.00 C ATOM 187 CG1 ILE A 16 5.873 -19.497 -20.856 1.00 0.00 C ATOM 188 CG2 ILE A 16 5.102 -17.752 -19.227 1.00 0.00 C ATOM 189 CD1 ILE A 16 6.960 -18.828 -21.667 1.00 0.00 C ATOM 0 H ILE A 16 3.226 -19.730 -22.274 1.00 0.00 H new ATOM 0 HA ILE A 16 3.589 -20.024 -19.378 1.00 0.00 H new ATOM 0 HB ILE A 16 4.565 -17.858 -21.288 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.312 -19.917 -19.951 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.465 -20.330 -21.428 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.019 -17.194 -19.415 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.296 -17.057 -18.990 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.255 -18.430 -18.387 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.735 -19.556 -21.908 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.535 -18.433 -22.589 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.395 -18.013 -21.089 1.00 0.00 H new ATOM 201 N LYS A 17 2.085 -18.148 -18.612 1.00 0.00 N ATOM 202 CA LYS A 17 1.036 -17.237 -18.168 1.00 0.00 C ATOM 203 C LYS A 17 1.478 -15.784 -18.319 1.00 0.00 C ATOM 204 O LYS A 17 1.417 -15.007 -17.367 1.00 0.00 O ATOM 205 CB LYS A 17 0.668 -17.521 -16.710 1.00 0.00 C ATOM 206 CG LYS A 17 -0.096 -18.819 -16.518 1.00 0.00 C ATOM 207 CD LYS A 17 0.844 -19.990 -16.284 1.00 0.00 C ATOM 208 CE LYS A 17 1.264 -20.085 -14.826 1.00 0.00 C ATOM 209 NZ LYS A 17 2.323 -19.094 -14.488 1.00 0.00 N ATOM 0 H LYS A 17 2.617 -18.579 -17.856 1.00 0.00 H new ATOM 0 HA LYS A 17 0.159 -17.399 -18.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.580 -17.554 -16.114 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.067 -16.696 -16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.774 -18.721 -15.671 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.710 -19.014 -17.397 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.354 -20.917 -16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.728 -19.879 -16.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.396 -19.922 -14.187 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.628 -21.091 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.904 -19.460 -13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.925 -18.931 -15.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.881 -18.198 -14.200 1.00 0.00 H new ATOM 269 N THR A 21 1.202 -11.782 -15.181 1.00 0.00 N ATOM 270 CA THR A 21 2.495 -11.256 -14.763 1.00 0.00 C ATOM 271 C THR A 21 2.606 -9.766 -15.065 1.00 0.00 C ATOM 272 O THR A 21 2.128 -9.294 -16.097 1.00 0.00 O ATOM 273 CB THR A 21 3.654 -11.996 -15.457 1.00 0.00 C ATOM 274 OG1 THR A 21 3.479 -13.411 -15.328 1.00 0.00 O ATOM 275 CG2 THR A 21 4.992 -11.589 -14.860 1.00 0.00 C ATOM 0 HA THR A 21 2.566 -11.413 -13.687 1.00 0.00 H new ATOM 0 HB THR A 21 3.648 -11.724 -16.513 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.529 -13.613 -15.198 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.795 -12.125 -15.367 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.136 -10.516 -14.987 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.006 -11.834 -13.798 1.00 0.00 H new ATOM 283 N CYS A 22 3.240 -9.029 -14.159 1.00 0.00 N ATOM 284 CA CYS A 22 3.414 -7.591 -14.328 1.00 0.00 C ATOM 285 C CYS A 22 3.764 -7.252 -15.774 1.00 0.00 C ATOM 286 O CYS A 22 4.803 -7.653 -16.297 1.00 0.00 O ATOM 287 CB CYS A 22 4.509 -7.075 -13.392 1.00 0.00 C ATOM 288 SG CYS A 22 4.581 -5.260 -13.261 1.00 0.00 S ATOM 0 H CYS A 22 3.642 -9.404 -13.300 1.00 0.00 H new ATOM 0 HA CYS A 22 2.472 -7.104 -14.077 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.350 -7.494 -12.398 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.474 -7.442 -13.742 1.00 0.00 H new ATOM 0 HG CYS A 22 3.538 -4.830 -12.616 1.00 0.00 H new ATOM 293 N PRO A 23 2.876 -6.495 -16.435 1.00 0.00 N ATOM 294 CA PRO A 23 3.069 -6.083 -17.829 1.00 0.00 C ATOM 295 C PRO A 23 4.197 -5.069 -17.983 1.00 0.00 C ATOM 296 O PRO A 23 4.454 -4.574 -19.081 1.00 0.00 O ATOM 297 CB PRO A 23 1.726 -5.451 -18.202 1.00 0.00 C ATOM 298 CG PRO A 23 1.152 -4.992 -16.906 1.00 0.00 C ATOM 299 CD PRO A 23 1.616 -5.981 -15.873 1.00 0.00 C ATOM 0 HA PRO A 23 3.352 -6.921 -18.466 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.858 -4.619 -18.894 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.071 -6.172 -18.692 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.493 -3.986 -16.663 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.064 -4.958 -16.952 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.772 -5.507 -14.904 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.888 -6.778 -15.724 1.00 0.00 H new ATOM 307 N ILE A 24 4.867 -4.764 -16.877 1.00 0.00 N ATOM 308 CA ILE A 24 5.969 -3.809 -16.891 1.00 0.00 C ATOM 309 C ILE A 24 7.313 -4.519 -16.777 1.00 0.00 C ATOM 310 O ILE A 24 8.137 -4.462 -17.690 1.00 0.00 O ATOM 311 CB ILE A 24 5.842 -2.787 -15.745 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.562 -1.965 -15.905 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.061 -1.877 -15.710 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.186 -1.183 -14.666 1.00 0.00 C ATOM 0 H ILE A 24 4.667 -5.164 -15.960 1.00 0.00 H new ATOM 0 HA ILE A 24 5.919 -3.283 -17.844 1.00 0.00 H new ATOM 0 HB ILE A 24 5.788 -3.328 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.686 -1.273 -16.738 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.741 -2.633 -16.166 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.957 -1.160 -14.895 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.958 -2.476 -15.554 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.143 -1.342 -16.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.269 -0.624 -14.853 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.029 -1.871 -13.835 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.989 -0.489 -14.416 1.00 0.00 H new ATOM 326 N CYS A 25 7.528 -5.190 -15.650 1.00 0.00 N ATOM 327 CA CYS A 25 8.772 -5.914 -15.416 1.00 0.00 C ATOM 328 C CYS A 25 8.665 -7.354 -15.909 1.00 0.00 C ATOM 329 O CYS A 25 9.670 -7.985 -16.240 1.00 0.00 O ATOM 330 CB CYS A 25 9.123 -5.898 -13.927 1.00 0.00 C ATOM 331 SG CYS A 25 7.843 -6.623 -12.853 1.00 0.00 S ATOM 0 H CYS A 25 6.857 -5.247 -14.884 1.00 0.00 H new ATOM 0 HA CYS A 25 9.564 -5.415 -15.975 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.056 -6.441 -13.779 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.301 -4.868 -13.618 1.00 0.00 H new ATOM 0 HG CYS A 25 6.744 -5.938 -12.965 1.00 0.00 H new ATOM 336 N LEU A 26 7.441 -7.867 -15.956 1.00 0.00 N ATOM 337 CA LEU A 26 7.201 -9.233 -16.409 1.00 0.00 C ATOM 338 C LEU A 26 7.765 -10.243 -15.415 1.00 0.00 C ATOM 339 O LEU A 26 8.393 -11.227 -15.806 1.00 0.00 O ATOM 340 CB LEU A 26 7.827 -9.451 -17.787 1.00 0.00 C ATOM 341 CG LEU A 26 7.487 -8.408 -18.852 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.472 -8.485 -20.009 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.062 -8.597 -19.349 1.00 0.00 C ATOM 0 H LEU A 26 6.599 -7.358 -15.686 1.00 0.00 H new ATOM 0 HA LEU A 26 6.124 -9.383 -16.479 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.910 -9.482 -17.671 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.517 -10.430 -18.154 1.00 0.00 H new ATOM 0 HG LEU A 26 7.564 -7.419 -18.401 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.214 -7.735 -20.757 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.481 -8.298 -19.641 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.428 -9.477 -20.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.838 -7.846 -20.106 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.957 -9.592 -19.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.368 -8.489 -18.515 1.00 0.00 H new ATOM 355 N GLU A 27 7.535 -9.994 -14.130 1.00 0.00 N ATOM 356 CA GLU A 27 8.019 -10.883 -13.081 1.00 0.00 C ATOM 357 C GLU A 27 6.963 -11.071 -11.996 1.00 0.00 C ATOM 358 O GLU A 27 6.044 -10.262 -11.861 1.00 0.00 O ATOM 359 CB GLU A 27 9.305 -10.329 -12.466 1.00 0.00 C ATOM 360 CG GLU A 27 10.565 -10.758 -13.198 1.00 0.00 C ATOM 361 CD GLU A 27 11.828 -10.448 -12.418 1.00 0.00 C ATOM 362 OE1 GLU A 27 12.325 -9.307 -12.523 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.319 -11.346 -11.703 1.00 0.00 O ATOM 0 H GLU A 27 7.016 -9.184 -13.790 1.00 0.00 H new ATOM 0 HA GLU A 27 8.229 -11.853 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.253 -9.240 -12.457 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.370 -10.654 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.519 -11.829 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.607 -10.256 -14.165 1.00 0.00 H new ATOM 370 N LEU A 28 7.100 -12.145 -11.225 1.00 0.00 N ATOM 371 CA LEU A 28 6.158 -12.441 -10.152 1.00 0.00 C ATOM 372 C LEU A 28 5.621 -11.156 -9.528 1.00 0.00 C ATOM 373 O LEU A 28 6.388 -10.265 -9.160 1.00 0.00 O ATOM 374 CB LEU A 28 6.830 -13.300 -9.079 1.00 0.00 C ATOM 375 CG LEU A 28 6.722 -14.814 -9.267 1.00 0.00 C ATOM 376 CD1 LEU A 28 5.270 -15.259 -9.190 1.00 0.00 C ATOM 377 CD2 LEU A 28 7.340 -15.232 -10.593 1.00 0.00 C ATOM 0 H LEU A 28 7.854 -12.825 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 28 5.321 -12.993 -10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.886 -13.034 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.398 -13.042 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 28 7.273 -15.301 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.213 -16.339 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.859 -14.994 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.696 -14.764 -9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.254 -16.312 -10.710 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.817 -14.736 -11.411 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.392 -14.948 -10.610 1.00 0.00 H new ATOM 389 N LEU A 29 4.301 -11.068 -9.410 1.00 0.00 N ATOM 390 CA LEU A 29 3.661 -9.893 -8.828 1.00 0.00 C ATOM 391 C LEU A 29 3.777 -9.907 -7.308 1.00 0.00 C ATOM 392 O LEU A 29 3.222 -10.779 -6.639 1.00 0.00 O ATOM 393 CB LEU A 29 2.189 -9.835 -9.238 1.00 0.00 C ATOM 394 CG LEU A 29 1.915 -9.569 -10.719 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.619 -10.239 -11.150 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.860 -8.073 -10.991 1.00 0.00 C ATOM 0 H LEU A 29 3.653 -11.796 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 29 4.172 -9.007 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.719 -10.780 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.700 -9.056 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 29 2.732 -9.994 -11.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.440 -10.039 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.696 -11.315 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.208 -9.844 -10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.664 -7.903 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.063 -7.624 -10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.813 -7.619 -10.721 1.00 0.00 H new ATOM 408 N LYS A 30 4.502 -8.934 -6.766 1.00 0.00 N ATOM 409 CA LYS A 30 4.688 -8.830 -5.323 1.00 0.00 C ATOM 410 C LYS A 30 3.813 -7.727 -4.739 1.00 0.00 C ATOM 411 O LYS A 30 4.082 -6.542 -4.932 1.00 0.00 O ATOM 412 CB LYS A 30 6.158 -8.556 -4.997 1.00 0.00 C ATOM 413 CG LYS A 30 7.006 -9.813 -4.907 1.00 0.00 C ATOM 414 CD LYS A 30 7.553 -10.216 -6.266 1.00 0.00 C ATOM 415 CE LYS A 30 8.683 -9.298 -6.707 1.00 0.00 C ATOM 416 NZ LYS A 30 9.952 -9.596 -5.987 1.00 0.00 N ATOM 0 H LYS A 30 4.971 -8.206 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 30 4.393 -9.779 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.575 -7.901 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.217 -8.019 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.832 -9.647 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.408 -10.628 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.913 -11.244 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.752 -10.189 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.840 -9.405 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.399 -8.261 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.717 -9.008 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.834 -9.388 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.192 -10.601 -6.108 1.00 0.00 H new ATOM 430 N GLU A 31 2.766 -8.125 -4.023 1.00 0.00 N ATOM 431 CA GLU A 31 1.852 -7.168 -3.410 1.00 0.00 C ATOM 432 C GLU A 31 1.232 -6.256 -4.465 1.00 0.00 C ATOM 433 O GLU A 31 1.277 -5.029 -4.366 1.00 0.00 O ATOM 434 CB GLU A 31 2.584 -6.329 -2.361 1.00 0.00 C ATOM 435 CG GLU A 31 2.918 -7.096 -1.093 1.00 0.00 C ATOM 436 CD GLU A 31 4.226 -7.856 -1.198 1.00 0.00 C ATOM 437 OE1 GLU A 31 5.292 -7.206 -1.197 1.00 0.00 O ATOM 438 OE2 GLU A 31 4.183 -9.101 -1.281 1.00 0.00 O ATOM 0 H GLU A 31 2.530 -9.103 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 31 1.053 -7.728 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.506 -5.943 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.968 -5.467 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.973 -6.400 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.112 -7.796 -0.873 1.00 0.00 H new ATOM 445 N PRO A 32 0.639 -6.867 -5.501 1.00 0.00 N ATOM 446 CA PRO A 32 -0.002 -6.130 -6.594 1.00 0.00 C ATOM 447 C PRO A 32 -1.281 -5.429 -6.150 1.00 0.00 C ATOM 448 O PRO A 32 -2.014 -5.934 -5.299 1.00 0.00 O ATOM 449 CB PRO A 32 -0.319 -7.222 -7.620 1.00 0.00 C ATOM 450 CG PRO A 32 -0.429 -8.473 -6.819 1.00 0.00 C ATOM 451 CD PRO A 32 0.547 -8.326 -5.684 1.00 0.00 C ATOM 0 HA PRO A 32 0.637 -5.336 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.247 -7.009 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.467 -7.300 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.444 -8.609 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.193 -9.347 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.192 -8.823 -4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.516 -8.762 -5.928 1.00 0.00 H new ATOM 459 N VAL A 33 -1.543 -4.263 -6.731 1.00 0.00 N ATOM 460 CA VAL A 33 -2.735 -3.493 -6.395 1.00 0.00 C ATOM 461 C VAL A 33 -3.668 -3.374 -7.595 1.00 0.00 C ATOM 462 O VAL A 33 -3.265 -2.920 -8.666 1.00 0.00 O ATOM 463 CB VAL A 33 -2.370 -2.080 -5.901 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.544 -2.158 -4.626 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.626 -1.313 -6.983 1.00 0.00 C ATOM 0 H VAL A 33 -0.946 -3.831 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.243 -4.030 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.291 -1.543 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.295 -1.151 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.118 -2.666 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.626 -2.713 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.376 -0.317 -6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.710 -1.845 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.257 -1.226 -7.867 1.00 0.00 H new ATOM 475 N SER A 34 -4.919 -3.784 -7.408 1.00 0.00 N ATOM 476 CA SER A 34 -5.910 -3.727 -8.476 1.00 0.00 C ATOM 477 C SER A 34 -6.242 -2.281 -8.832 1.00 0.00 C ATOM 478 O SER A 34 -6.118 -1.382 -8.001 1.00 0.00 O ATOM 479 CB SER A 34 -7.182 -4.467 -8.060 1.00 0.00 C ATOM 480 OG SER A 34 -7.713 -3.935 -6.859 1.00 0.00 O ATOM 0 H SER A 34 -5.270 -4.159 -6.527 1.00 0.00 H new ATOM 0 HA SER A 34 -5.488 -4.212 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.925 -4.393 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.963 -5.526 -7.926 1.00 0.00 H new ATOM 0 HG SER A 34 -8.526 -4.425 -6.616 1.00 0.00 H new ATOM 486 N ALA A 35 -6.665 -2.066 -10.073 1.00 0.00 N ATOM 487 CA ALA A 35 -7.018 -0.731 -10.540 1.00 0.00 C ATOM 488 C ALA A 35 -8.351 -0.742 -11.279 1.00 0.00 C ATOM 489 O ALA A 35 -8.916 -1.803 -11.546 1.00 0.00 O ATOM 490 CB ALA A 35 -5.920 -0.178 -11.436 1.00 0.00 C ATOM 0 H ALA A 35 -6.772 -2.800 -10.774 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.121 -0.084 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.197 0.819 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.986 -0.124 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.789 -0.833 -12.297 1.00 0.00 H new ATOM 496 N ASP A 36 -8.851 0.445 -11.607 1.00 0.00 N ATOM 497 CA ASP A 36 -10.118 0.572 -12.316 1.00 0.00 C ATOM 498 C ASP A 36 -10.099 -0.233 -13.612 1.00 0.00 C ATOM 499 O ASP A 36 -11.078 -0.894 -13.960 1.00 0.00 O ATOM 500 CB ASP A 36 -10.413 2.042 -12.618 1.00 0.00 C ATOM 501 CG ASP A 36 -11.380 2.213 -13.774 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.965 1.994 -14.931 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.551 2.564 -13.520 1.00 0.00 O ATOM 0 H ASP A 36 -8.397 1.333 -11.393 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.906 0.176 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.827 2.517 -11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.480 2.557 -12.849 1.00 0.00 H new ATOM 508 N CYS A 37 -8.979 -0.171 -14.324 1.00 0.00 N ATOM 509 CA CYS A 37 -8.831 -0.892 -15.583 1.00 0.00 C ATOM 510 C CYS A 37 -8.428 -2.342 -15.335 1.00 0.00 C ATOM 511 O CYS A 37 -7.647 -2.918 -16.091 1.00 0.00 O ATOM 512 CB CYS A 37 -7.789 -0.205 -16.468 1.00 0.00 C ATOM 513 SG CYS A 37 -6.178 0.051 -15.659 1.00 0.00 S ATOM 0 H CYS A 37 -8.160 0.372 -14.050 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.794 -0.884 -16.094 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.641 -0.803 -17.367 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.180 0.761 -16.788 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.288 -0.720 -16.210 1.00 0.00 H new ATOM 518 N ASN A 38 -8.967 -2.927 -14.269 1.00 0.00 N ATOM 519 CA ASN A 38 -8.663 -4.310 -13.921 1.00 0.00 C ATOM 520 C ASN A 38 -7.217 -4.653 -14.267 1.00 0.00 C ATOM 521 O ASN A 38 -6.937 -5.710 -14.833 1.00 0.00 O ATOM 522 CB ASN A 38 -9.614 -5.262 -14.650 1.00 0.00 C ATOM 523 CG ASN A 38 -9.413 -6.707 -14.238 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.080 -6.996 -13.088 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.614 -7.623 -15.177 1.00 0.00 N ATOM 0 H ASN A 38 -9.616 -2.465 -13.632 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.797 -4.426 -12.846 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.644 -4.969 -14.446 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.463 -5.169 -15.725 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.493 -8.612 -14.959 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.889 -7.338 -16.117 1.00 0.00 H new ATOM 532 N HIS A 39 -6.302 -3.753 -13.923 1.00 0.00 N ATOM 533 CA HIS A 39 -4.884 -3.961 -14.196 1.00 0.00 C ATOM 534 C HIS A 39 -4.056 -3.792 -12.926 1.00 0.00 C ATOM 535 O HIS A 39 -3.974 -2.698 -12.367 1.00 0.00 O ATOM 536 CB HIS A 39 -4.401 -2.983 -15.267 1.00 0.00 C ATOM 537 CG HIS A 39 -4.932 -3.283 -16.635 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.008 -2.339 -17.637 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.414 -4.432 -17.166 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.515 -2.893 -18.724 1.00 0.00 C ATOM 541 NE2 HIS A 39 -5.769 -4.163 -18.464 1.00 0.00 N ATOM 0 H HIS A 39 -6.517 -2.873 -13.455 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.755 -4.980 -14.560 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.697 -1.973 -14.985 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.312 -2.999 -15.297 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.502 -5.383 -16.662 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.692 -2.393 -19.665 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.165 -4.835 -19.122 1.00 0.00 H new ATOM 549 N SER A 40 -3.444 -4.882 -12.475 1.00 0.00 N ATOM 550 CA SER A 40 -2.626 -4.856 -11.268 1.00 0.00 C ATOM 551 C SER A 40 -1.143 -4.778 -11.619 1.00 0.00 C ATOM 552 O SER A 40 -0.722 -5.219 -12.689 1.00 0.00 O ATOM 553 CB SER A 40 -2.895 -6.098 -10.416 1.00 0.00 C ATOM 554 OG SER A 40 -3.976 -5.881 -9.526 1.00 0.00 O ATOM 0 H SER A 40 -3.499 -5.795 -12.927 1.00 0.00 H new ATOM 0 HA SER A 40 -2.894 -3.968 -10.696 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.118 -6.946 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.000 -6.356 -9.850 1.00 0.00 H new ATOM 0 HG SER A 40 -4.129 -6.690 -8.994 1.00 0.00 H new ATOM 560 N PHE A 41 -0.355 -4.215 -10.709 1.00 0.00 N ATOM 561 CA PHE A 41 1.081 -4.077 -10.921 1.00 0.00 C ATOM 562 C PHE A 41 1.836 -4.150 -9.597 1.00 0.00 C ATOM 563 O PHE A 41 1.296 -3.815 -8.542 1.00 0.00 O ATOM 564 CB PHE A 41 1.390 -2.754 -11.625 1.00 0.00 C ATOM 565 CG PHE A 41 0.330 -2.334 -12.603 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.824 -1.704 -12.167 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.489 -2.569 -13.960 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.801 -1.316 -13.065 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.484 -2.183 -14.862 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.631 -1.557 -14.414 1.00 0.00 C ATOM 0 H PHE A 41 -0.687 -3.847 -9.817 1.00 0.00 H new ATOM 0 HA PHE A 41 1.410 -4.902 -11.553 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.512 -1.972 -10.875 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.342 -2.844 -12.149 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.962 -1.514 -11.113 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.383 -3.059 -14.316 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.696 -0.825 -12.712 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.348 -2.371 -15.917 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.393 -1.257 -15.118 1.00 0.00 H new ATOM 580 N CYS A 42 3.088 -4.591 -9.660 1.00 0.00 N ATOM 581 CA CYS A 42 3.918 -4.710 -8.468 1.00 0.00 C ATOM 582 C CYS A 42 3.770 -3.480 -7.577 1.00 0.00 C ATOM 583 O CYS A 42 3.945 -2.349 -8.030 1.00 0.00 O ATOM 584 CB CYS A 42 5.386 -4.896 -8.860 1.00 0.00 C ATOM 585 SG CYS A 42 5.676 -6.262 -10.030 1.00 0.00 S ATOM 0 H CYS A 42 3.550 -4.872 -10.525 1.00 0.00 H new ATOM 0 HA CYS A 42 3.584 -5.584 -7.909 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.753 -3.970 -9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.972 -5.074 -7.958 1.00 0.00 H new ATOM 0 HG CYS A 42 5.277 -5.909 -11.216 1.00 0.00 H new ATOM 590 N ARG A 43 3.448 -3.711 -6.309 1.00 0.00 N ATOM 591 CA ARG A 43 3.275 -2.622 -5.354 1.00 0.00 C ATOM 592 C ARG A 43 4.240 -1.479 -5.653 1.00 0.00 C ATOM 593 O ARG A 43 3.876 -0.307 -5.563 1.00 0.00 O ATOM 594 CB ARG A 43 3.493 -3.128 -3.927 1.00 0.00 C ATOM 595 CG ARG A 43 2.676 -2.381 -2.885 1.00 0.00 C ATOM 596 CD ARG A 43 3.428 -1.173 -2.348 1.00 0.00 C ATOM 597 NE ARG A 43 4.686 -1.551 -1.709 1.00 0.00 N ATOM 598 CZ ARG A 43 5.291 -0.814 -0.784 1.00 0.00 C ATOM 599 NH1 ARG A 43 4.756 0.334 -0.392 1.00 0.00 N ATOM 600 NH2 ARG A 43 6.434 -1.225 -0.249 1.00 0.00 N ATOM 0 H ARG A 43 3.302 -4.642 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 43 2.256 -2.248 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.240 -4.187 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.551 -3.042 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.732 -2.058 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.431 -3.053 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.630 -0.480 -3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.801 -0.645 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 43 5.124 -2.429 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.878 0.653 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.223 0.898 0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.849 -2.108 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.898 -0.658 0.461 1.00 0.00 H new ATOM 614 N ALA A 44 5.472 -1.828 -6.010 1.00 0.00 N ATOM 615 CA ALA A 44 6.488 -0.832 -6.324 1.00 0.00 C ATOM 616 C ALA A 44 6.284 -0.262 -7.724 1.00 0.00 C ATOM 617 O ALA A 44 6.069 0.940 -7.890 1.00 0.00 O ATOM 618 CB ALA A 44 7.878 -1.438 -6.197 1.00 0.00 C ATOM 0 H ALA A 44 5.790 -2.794 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 44 6.393 -0.014 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.627 -0.683 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.029 -1.791 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.975 -2.275 -6.889 1.00 0.00 H new ATOM 624 N CYS A 45 6.353 -1.130 -8.727 1.00 0.00 N ATOM 625 CA CYS A 45 6.177 -0.713 -10.113 1.00 0.00 C ATOM 626 C CYS A 45 5.091 0.354 -10.226 1.00 0.00 C ATOM 627 O CYS A 45 5.349 1.470 -10.679 1.00 0.00 O ATOM 628 CB CYS A 45 5.818 -1.915 -10.988 1.00 0.00 C ATOM 629 SG CYS A 45 7.228 -3.004 -11.369 1.00 0.00 S ATOM 0 H CYS A 45 6.530 -2.127 -8.606 1.00 0.00 H new ATOM 0 HA CYS A 45 7.119 -0.288 -10.460 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.047 -2.499 -10.486 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.388 -1.555 -11.923 1.00 0.00 H new ATOM 0 HG CYS A 45 6.920 -4.232 -11.075 1.00 0.00 H new ATOM 634 N ILE A 46 3.879 0.003 -9.812 1.00 0.00 N ATOM 635 CA ILE A 46 2.755 0.930 -9.865 1.00 0.00 C ATOM 636 C ILE A 46 3.148 2.301 -9.324 1.00 0.00 C ATOM 637 O ILE A 46 2.738 3.332 -9.857 1.00 0.00 O ATOM 638 CB ILE A 46 1.550 0.401 -9.066 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.363 1.357 -9.198 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.925 0.212 -7.604 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.311 1.301 -10.551 1.00 0.00 C ATOM 0 H ILE A 46 3.650 -0.917 -9.436 1.00 0.00 H new ATOM 0 HA ILE A 46 2.472 1.023 -10.913 1.00 0.00 H new ATOM 0 HB ILE A 46 1.260 -0.567 -9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.370 1.122 -8.426 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.705 2.375 -9.013 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.062 -0.162 -7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.743 -0.504 -7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.238 1.167 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.143 2.005 -10.572 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.408 1.565 -11.327 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.684 0.293 -10.730 1.00 0.00 H new ATOM 653 N THR A 47 3.946 2.305 -8.260 1.00 0.00 N ATOM 654 CA THR A 47 4.394 3.548 -7.646 1.00 0.00 C ATOM 655 C THR A 47 5.406 4.265 -8.533 1.00 0.00 C ATOM 656 O THR A 47 5.181 5.400 -8.955 1.00 0.00 O ATOM 657 CB THR A 47 5.027 3.296 -6.265 1.00 0.00 C ATOM 658 OG1 THR A 47 4.153 2.493 -5.464 1.00 0.00 O ATOM 659 CG2 THR A 47 5.313 4.609 -5.552 1.00 0.00 C ATOM 0 H THR A 47 4.295 1.461 -7.806 1.00 0.00 H new ATOM 0 HA THR A 47 3.512 4.176 -7.524 1.00 0.00 H new ATOM 0 HB THR A 47 5.970 2.769 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.260 1.550 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.760 4.405 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.002 5.205 -6.150 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.382 5.159 -5.416 1.00 0.00 H new ATOM 667 N LEU A 48 6.519 3.597 -8.812 1.00 0.00 N ATOM 668 CA LEU A 48 7.567 4.171 -9.650 1.00 0.00 C ATOM 669 C LEU A 48 6.976 4.784 -10.916 1.00 0.00 C ATOM 670 O LEU A 48 7.181 5.963 -11.200 1.00 0.00 O ATOM 671 CB LEU A 48 8.595 3.101 -10.019 1.00 0.00 C ATOM 672 CG LEU A 48 10.033 3.588 -10.205 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.149 4.445 -11.456 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.496 4.364 -8.980 1.00 0.00 C ATOM 0 H LEU A 48 6.720 2.657 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 48 8.061 4.960 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.589 2.337 -9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.273 2.619 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 48 10.678 2.718 -10.325 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.179 4.782 -11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.859 3.858 -12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.492 5.310 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.521 4.703 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.847 5.227 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.452 3.719 -8.103 1.00 0.00 H new ATOM 686 N ASN A 49 6.241 3.974 -11.671 1.00 0.00 N ATOM 687 CA ASN A 49 5.618 4.437 -12.906 1.00 0.00 C ATOM 688 C ASN A 49 4.862 5.742 -12.678 1.00 0.00 C ATOM 689 O ASN A 49 5.082 6.730 -13.380 1.00 0.00 O ATOM 690 CB ASN A 49 4.666 3.372 -13.453 1.00 0.00 C ATOM 691 CG ASN A 49 4.262 3.640 -14.890 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.392 4.469 -15.157 1.00 0.00 O ATOM 693 ND2 ASN A 49 4.893 2.937 -15.823 1.00 0.00 N ATOM 0 H ASN A 49 6.062 2.994 -11.450 1.00 0.00 H new ATOM 0 HA ASN A 49 6.407 4.618 -13.636 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.144 2.394 -13.389 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.773 3.332 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.663 3.074 -16.807 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.608 2.260 -15.555 1.00 0.00 H new ATOM 700 N TYR A 50 3.971 5.739 -11.693 1.00 0.00 N ATOM 701 CA TYR A 50 3.180 6.921 -11.374 1.00 0.00 C ATOM 702 C TYR A 50 4.076 8.143 -11.192 1.00 0.00 C ATOM 703 O TYR A 50 3.890 9.166 -11.850 1.00 0.00 O ATOM 704 CB TYR A 50 2.359 6.684 -10.105 1.00 0.00 C ATOM 705 CG TYR A 50 1.648 7.921 -9.604 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.409 8.288 -10.112 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.216 8.721 -8.620 1.00 0.00 C ATOM 708 CE1 TYR A 50 -0.244 9.418 -9.658 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.570 9.852 -8.158 1.00 0.00 C ATOM 710 CZ TYR A 50 0.341 10.196 -8.680 1.00 0.00 C ATOM 711 OH TYR A 50 -0.307 11.321 -8.224 1.00 0.00 O ATOM 0 H TYR A 50 3.778 4.931 -11.101 1.00 0.00 H new ATOM 0 HA TYR A 50 2.503 7.110 -12.207 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.622 5.905 -10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.018 6.311 -9.321 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.053 7.679 -10.876 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.179 8.454 -8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.206 9.691 -10.066 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.025 10.463 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 50 0.238 11.756 -7.536 1.00 0.00 H new ATOM 721 N GLU A 51 5.049 8.026 -10.294 1.00 0.00 N ATOM 722 CA GLU A 51 5.974 9.121 -10.025 1.00 0.00 C ATOM 723 C GLU A 51 6.349 9.846 -11.314 1.00 0.00 C ATOM 724 O GLU A 51 6.446 11.073 -11.343 1.00 0.00 O ATOM 725 CB GLU A 51 7.236 8.595 -9.337 1.00 0.00 C ATOM 726 CG GLU A 51 7.062 8.355 -7.847 1.00 0.00 C ATOM 727 CD GLU A 51 8.186 7.528 -7.254 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.356 7.769 -7.619 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.897 6.640 -6.425 1.00 0.00 O ATOM 0 H GLU A 51 5.217 7.185 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 51 5.476 9.829 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.538 7.662 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.047 9.308 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.011 9.314 -7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.113 7.849 -7.673 1.00 0.00 H new ATOM 861 N ASN A 61 -1.273 7.564 -15.453 1.00 0.00 N ATOM 862 CA ASN A 61 -1.673 6.864 -16.668 1.00 0.00 C ATOM 863 C ASN A 61 -1.171 5.423 -16.656 1.00 0.00 C ATOM 864 O ASN A 61 -0.052 5.148 -16.222 1.00 0.00 O ATOM 865 CB ASN A 61 -1.136 7.593 -17.901 1.00 0.00 C ATOM 866 CG ASN A 61 -2.053 8.711 -18.358 1.00 0.00 C ATOM 867 OD1 ASN A 61 -3.232 8.488 -18.635 1.00 0.00 O ATOM 868 ND2 ASN A 61 -1.515 9.922 -18.438 1.00 0.00 N ATOM 0 HA ASN A 61 -2.762 6.850 -16.708 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.151 8.003 -17.677 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.006 6.879 -18.714 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.083 10.714 -18.739 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.533 10.061 -18.199 1.00 0.00 H new ATOM 875 N CYS A 62 -2.006 4.508 -17.137 1.00 0.00 N ATOM 876 CA CYS A 62 -1.648 3.095 -17.183 1.00 0.00 C ATOM 877 C CYS A 62 -0.763 2.797 -18.390 1.00 0.00 C ATOM 878 O CYS A 62 -1.104 3.104 -19.532 1.00 0.00 O ATOM 879 CB CYS A 62 -2.909 2.230 -17.235 1.00 0.00 C ATOM 880 SG CYS A 62 -2.580 0.439 -17.271 1.00 0.00 S ATOM 0 H CYS A 62 -2.935 4.720 -17.500 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.089 2.857 -16.278 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.529 2.457 -16.368 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.486 2.501 -18.119 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.429 -0.174 -16.501 1.00 0.00 H new ATOM 885 N PRO A 63 0.401 2.183 -18.132 1.00 0.00 N ATOM 886 CA PRO A 63 1.359 1.829 -19.183 1.00 0.00 C ATOM 887 C PRO A 63 0.850 0.702 -20.075 1.00 0.00 C ATOM 888 O PRO A 63 1.578 0.197 -20.931 1.00 0.00 O ATOM 889 CB PRO A 63 2.594 1.375 -18.401 1.00 0.00 C ATOM 890 CG PRO A 63 2.062 0.915 -17.087 1.00 0.00 C ATOM 891 CD PRO A 63 0.872 1.788 -16.794 1.00 0.00 C ATOM 0 HA PRO A 63 1.549 2.663 -19.858 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.118 0.572 -18.919 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.306 2.191 -18.276 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.775 -0.136 -17.128 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.817 1.009 -16.306 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.104 1.248 -16.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.148 2.655 -16.193 1.00 0.00 H new ATOM 899 N VAL A 64 -0.404 0.312 -19.871 1.00 0.00 N ATOM 900 CA VAL A 64 -1.011 -0.755 -20.658 1.00 0.00 C ATOM 901 C VAL A 64 -2.176 -0.230 -21.489 1.00 0.00 C ATOM 902 O VAL A 64 -2.192 -0.369 -22.713 1.00 0.00 O ATOM 903 CB VAL A 64 -1.512 -1.901 -19.758 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.228 -2.956 -20.587 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.355 -2.513 -18.983 1.00 0.00 C ATOM 0 H VAL A 64 -1.020 0.719 -19.167 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.237 -1.137 -21.323 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.224 -1.493 -19.041 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.575 -3.758 -19.935 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.082 -2.504 -21.092 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.541 -3.364 -21.329 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.726 -3.321 -18.352 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.383 -2.908 -19.682 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.109 -1.749 -18.359 1.00 0.00 H new ATOM 915 N CYS A 65 -3.150 0.376 -20.818 1.00 0.00 N ATOM 916 CA CYS A 65 -4.320 0.923 -21.493 1.00 0.00 C ATOM 917 C CYS A 65 -4.250 2.446 -21.554 1.00 0.00 C ATOM 918 O CYS A 65 -4.918 3.076 -22.374 1.00 0.00 O ATOM 919 CB CYS A 65 -5.599 0.488 -20.775 1.00 0.00 C ATOM 920 SG CYS A 65 -5.702 1.036 -19.041 1.00 0.00 S ATOM 0 H CYS A 65 -3.152 0.501 -19.806 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.335 0.537 -22.512 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.459 0.878 -21.320 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.668 -0.599 -20.806 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.618 0.690 -18.412 1.00 0.00 H new ATOM 925 N ARG A 66 -3.439 3.031 -20.679 1.00 0.00 N ATOM 926 CA ARG A 66 -3.282 4.480 -20.632 1.00 0.00 C ATOM 927 C ARG A 66 -4.576 5.151 -20.179 1.00 0.00 C ATOM 928 O ARG A 66 -4.991 6.165 -20.742 1.00 0.00 O ATOM 929 CB ARG A 66 -2.870 5.014 -22.005 1.00 0.00 C ATOM 930 CG ARG A 66 -2.112 6.330 -21.943 1.00 0.00 C ATOM 931 CD ARG A 66 -0.636 6.109 -21.647 1.00 0.00 C ATOM 932 NE ARG A 66 0.188 7.222 -22.110 1.00 0.00 N ATOM 933 CZ ARG A 66 1.370 7.528 -21.588 1.00 0.00 C ATOM 934 NH1 ARG A 66 1.865 6.807 -20.591 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.061 8.556 -22.063 1.00 0.00 N ATOM 0 H ARG A 66 -2.880 2.524 -19.993 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.500 4.714 -19.910 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.249 4.270 -22.504 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.762 5.147 -22.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.219 6.858 -22.891 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.548 6.966 -21.173 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.497 5.977 -20.574 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.304 5.188 -22.127 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.164 7.796 -22.876 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.338 6.015 -20.223 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.773 7.044 -20.192 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.684 9.113 -22.830 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.969 8.790 -21.661 1.00 0.00 H new ATOM 949 N VAL A 67 -5.208 4.579 -19.160 1.00 0.00 N ATOM 950 CA VAL A 67 -6.454 5.123 -18.631 1.00 0.00 C ATOM 951 C VAL A 67 -6.222 5.840 -17.306 1.00 0.00 C ATOM 952 O VAL A 67 -5.538 5.340 -16.412 1.00 0.00 O ATOM 953 CB VAL A 67 -7.506 4.017 -18.426 1.00 0.00 C ATOM 954 CG1 VAL A 67 -8.710 4.559 -17.671 1.00 0.00 C ATOM 955 CG2 VAL A 67 -7.927 3.428 -19.764 1.00 0.00 C ATOM 0 H VAL A 67 -4.878 3.739 -18.684 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.826 5.837 -19.366 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.060 3.222 -17.829 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.443 3.764 -17.535 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.392 4.929 -16.696 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.159 5.373 -18.239 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.671 2.648 -19.600 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.355 4.212 -20.388 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.057 3.001 -20.263 1.00 0.00 H new ATOM 965 N PRO A 68 -6.804 7.041 -17.174 1.00 0.00 N ATOM 966 CA PRO A 68 -6.676 7.854 -15.960 1.00 0.00 C ATOM 967 C PRO A 68 -7.426 7.251 -14.778 1.00 0.00 C ATOM 968 O PRO A 68 -8.657 7.257 -14.742 1.00 0.00 O ATOM 969 CB PRO A 68 -7.300 9.193 -16.363 1.00 0.00 C ATOM 970 CG PRO A 68 -8.249 8.854 -17.460 1.00 0.00 C ATOM 971 CD PRO A 68 -7.633 7.699 -18.199 1.00 0.00 C ATOM 0 HA PRO A 68 -5.640 7.933 -15.629 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.816 9.658 -15.523 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.540 9.898 -16.701 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.227 8.585 -17.061 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.399 9.706 -18.123 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.392 7.025 -18.595 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.034 8.037 -19.045 1.00 0.00 H new ATOM 979 N TYR A 69 -6.678 6.731 -13.811 1.00 0.00 N ATOM 980 CA TYR A 69 -7.272 6.122 -12.627 1.00 0.00 C ATOM 981 C TYR A 69 -6.845 6.861 -11.362 1.00 0.00 C ATOM 982 O TYR A 69 -5.753 7.423 -11.279 1.00 0.00 O ATOM 983 CB TYR A 69 -6.873 4.649 -12.530 1.00 0.00 C ATOM 984 CG TYR A 69 -5.379 4.431 -12.444 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.731 4.409 -11.216 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.617 4.247 -13.591 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.366 4.211 -11.132 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.252 4.047 -13.517 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.631 4.030 -12.285 1.00 0.00 C ATOM 990 OH TYR A 69 -1.272 3.832 -12.207 1.00 0.00 O ATOM 0 H TYR A 69 -5.658 6.719 -13.824 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.356 6.192 -12.719 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.347 4.210 -11.652 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.260 4.118 -13.400 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.304 4.549 -10.311 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.100 4.261 -14.557 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.877 4.198 -10.169 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.674 3.905 -14.418 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.905 3.720 -13.109 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.728 6.860 -10.352 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.465 7.523 -9.071 1.00 0.00 C ATOM 1002 C PRO A 70 -6.387 6.813 -8.260 1.00 0.00 C ATOM 1003 O PRO A 70 -6.432 5.596 -8.081 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.813 7.448 -8.350 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.497 6.267 -8.947 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.049 6.210 -10.381 1.00 0.00 C ATOM 0 HA PRO A 70 -7.094 8.539 -9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.681 7.327 -7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.393 8.359 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.229 5.352 -8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.580 6.368 -8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.984 5.183 -10.741 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.741 6.735 -11.039 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.419 7.581 -7.772 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.328 7.024 -6.979 1.00 0.00 C ATOM 1016 C PHE A 71 -4.844 6.478 -5.652 1.00 0.00 C ATOM 1017 O PHE A 71 -4.601 5.322 -5.307 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.259 8.090 -6.725 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.991 7.538 -6.138 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.272 6.560 -6.805 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.520 7.997 -4.919 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.104 6.051 -6.268 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -0.353 7.492 -4.377 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.355 6.517 -5.052 1.00 0.00 C ATOM 0 H PHE A 71 -5.367 8.590 -7.911 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.885 6.202 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.027 8.592 -7.664 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.663 8.846 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.628 6.191 -7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.071 8.758 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.449 5.290 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.005 7.860 -3.427 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.266 6.120 -4.629 1.00 0.00 H new ATOM 1034 N GLY A 72 -5.559 7.319 -4.910 1.00 0.00 N ATOM 1035 CA GLY A 72 -6.097 6.903 -3.628 1.00 0.00 C ATOM 1036 C GLY A 72 -7.296 5.986 -3.773 1.00 0.00 C ATOM 1037 O GLY A 72 -8.315 6.176 -3.110 1.00 0.00 O ATOM 0 H GLY A 72 -5.775 8.280 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.320 6.393 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.385 7.784 -3.055 1.00 0.00 H new ATOM 1041 N ASN A 73 -7.174 4.989 -4.643 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.257 4.039 -4.875 1.00 0.00 C ATOM 1043 C ASN A 73 -7.728 2.609 -4.908 1.00 0.00 C ATOM 1044 O ASN A 73 -8.314 1.705 -4.311 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.973 4.361 -6.188 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.083 3.375 -6.498 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -11.248 3.616 -6.181 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -9.725 2.258 -7.120 1.00 0.00 N ATOM 0 H ASN A 73 -6.336 4.818 -5.199 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.966 4.126 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.389 5.367 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.250 4.358 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.428 1.557 -7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.747 2.101 -7.363 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.617 2.410 -5.608 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.008 1.089 -5.719 1.00 0.00 C ATOM 1057 C LEU A 74 -6.218 0.284 -4.441 1.00 0.00 C ATOM 1058 O LEU A 74 -6.252 0.839 -3.343 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.513 1.219 -6.015 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.141 2.053 -7.241 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.692 2.509 -7.156 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.378 1.261 -8.518 1.00 0.00 C ATOM 0 H LEU A 74 -6.119 3.147 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.490 0.561 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.027 1.656 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.100 0.218 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.779 2.937 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.445 3.101 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.553 3.115 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.039 1.638 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.108 1.871 -9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.766 0.359 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.430 0.985 -8.585 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.355 -1.029 -4.591 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.558 -1.913 -3.449 1.00 0.00 C ATOM 1076 C LYS A 75 -5.643 -3.131 -3.535 1.00 0.00 C ATOM 1077 O LYS A 75 -5.219 -3.544 -4.614 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.019 -2.363 -3.379 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.987 -1.238 -3.058 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.432 -1.692 -3.184 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.898 -2.420 -1.932 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.116 -3.238 -2.187 1.00 0.00 N ATOM 0 H LYS A 75 -6.329 -1.505 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.312 -1.358 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.299 -2.811 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.115 -3.141 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.805 -0.878 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.808 -0.400 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.072 -0.828 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.534 -2.349 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.098 -3.064 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.106 -1.694 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.402 -3.718 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.888 -2.620 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.911 -3.948 -2.919 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.332 -3.722 -2.372 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.467 -4.902 -2.290 1.00 0.00 C ATOM 1098 C PRO A 76 -5.133 -6.150 -2.858 1.00 0.00 C ATOM 1099 O PRO A 76 -6.256 -6.489 -2.486 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.226 -5.061 -0.786 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.406 -4.418 -0.143 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.802 -3.283 -1.047 1.00 0.00 C ATOM 0 HA PRO A 76 -3.553 -4.779 -2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.147 -6.112 -0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.297 -4.579 -0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.224 -5.129 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.157 -4.054 0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.879 -3.119 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.334 -2.346 -0.745 1.00 0.00 H new