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 37 CYS SG : rot 168:sc= -0.607 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -1.41 K(o=-4.8,f=-5.7) USER MOD Set 1.3: A 62 CYS SG : rot 48:sc= 0.642 USER MOD Set 1.4: A 65 CYS SG : rot -50:sc= -3.39! USER MOD Set 2.1: A 22 CYS SG : rot 147:sc= 1.21 USER MOD Set 2.2: A 25 CYS SG : rot -62:sc= -0.0165 USER MOD Set 2.3: A 42 CYS SG : rot 144:sc= 1.05 USER MOD Set 2.4: A 45 CYS SG : rot 179:sc= -0.64 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+ -153:sc= -0.0223 (180deg=-0.806) USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.518 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.689 K(o=0.69,f=-0.19) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 73 ASN : amide:sc= -0.743 K(o=-0.74,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 -0.149 -53.256 -30.280 1.00 0.00 N ATOM 31 CA GLY A 4 0.117 -53.126 -28.859 1.00 0.00 C ATOM 32 C GLY A 4 0.648 -51.754 -28.492 1.00 0.00 C ATOM 33 O GLY A 4 0.902 -50.925 -29.365 1.00 0.00 O ATOM 0 HA2 GLY A 4 -0.800 -53.318 -28.302 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.839 -53.885 -28.557 1.00 0.00 H new ATOM 37 N SER A 5 0.814 -51.513 -27.195 1.00 0.00 N ATOM 38 CA SER A 5 1.313 -50.231 -26.714 1.00 0.00 C ATOM 39 C SER A 5 1.745 -50.329 -25.254 1.00 0.00 C ATOM 40 O SER A 5 1.575 -51.367 -24.613 1.00 0.00 O ATOM 41 CB SER A 5 0.240 -49.152 -26.868 1.00 0.00 C ATOM 42 OG SER A 5 -0.981 -49.557 -26.272 1.00 0.00 O ATOM 0 H SER A 5 0.610 -52.189 -26.459 1.00 0.00 H new ATOM 0 HA SER A 5 2.181 -49.959 -27.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.583 -48.225 -26.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.080 -48.942 -27.926 1.00 0.00 H new ATOM 0 HG SER A 5 -1.650 -48.849 -26.383 1.00 0.00 H new ATOM 48 N SER A 6 2.303 -49.241 -24.734 1.00 0.00 N ATOM 49 CA SER A 6 2.763 -49.204 -23.350 1.00 0.00 C ATOM 50 C SER A 6 2.306 -47.923 -22.660 1.00 0.00 C ATOM 51 O SER A 6 1.610 -47.099 -23.252 1.00 0.00 O ATOM 52 CB SER A 6 4.288 -49.310 -23.295 1.00 0.00 C ATOM 53 OG SER A 6 4.900 -48.163 -23.857 1.00 0.00 O ATOM 0 H SER A 6 2.448 -48.373 -25.250 1.00 0.00 H new ATOM 0 HA SER A 6 2.327 -50.054 -22.825 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.610 -49.428 -22.260 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.613 -50.200 -23.833 1.00 0.00 H new ATOM 0 HG SER A 6 5.874 -48.255 -23.808 1.00 0.00 H new ATOM 59 N GLY A 7 2.703 -47.762 -21.401 1.00 0.00 N ATOM 60 CA GLY A 7 2.326 -46.580 -20.649 1.00 0.00 C ATOM 61 C GLY A 7 3.269 -45.417 -20.885 1.00 0.00 C ATOM 62 O GLY A 7 4.440 -45.615 -21.206 1.00 0.00 O ATOM 0 H GLY A 7 3.279 -48.430 -20.889 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.314 -46.285 -20.926 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.309 -46.820 -19.586 1.00 0.00 H new ATOM 66 N MET A 8 2.757 -44.201 -20.726 1.00 0.00 N ATOM 67 CA MET A 8 3.562 -43.001 -20.925 1.00 0.00 C ATOM 68 C MET A 8 3.163 -41.909 -19.938 1.00 0.00 C ATOM 69 O MET A 8 1.981 -41.604 -19.780 1.00 0.00 O ATOM 70 CB MET A 8 3.410 -42.491 -22.359 1.00 0.00 C ATOM 71 CG MET A 8 4.190 -43.303 -23.379 1.00 0.00 C ATOM 72 SD MET A 8 3.500 -43.180 -25.040 1.00 0.00 S ATOM 73 CE MET A 8 2.611 -44.731 -25.154 1.00 0.00 C ATOM 0 H MET A 8 1.789 -44.020 -20.460 1.00 0.00 H new ATOM 0 HA MET A 8 4.606 -43.260 -20.749 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.354 -42.501 -22.629 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.740 -41.453 -22.404 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.225 -42.962 -23.394 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.203 -44.349 -23.072 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.128 -44.803 -26.129 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.308 -45.560 -25.032 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.855 -44.775 -24.370 1.00 0.00 H new ATOM 83 N ALA A 9 4.155 -41.323 -19.277 1.00 0.00 N ATOM 84 CA ALA A 9 3.907 -40.263 -18.307 1.00 0.00 C ATOM 85 C ALA A 9 4.643 -38.984 -18.691 1.00 0.00 C ATOM 86 O ALA A 9 5.835 -38.837 -18.420 1.00 0.00 O ATOM 87 CB ALA A 9 4.320 -40.714 -16.914 1.00 0.00 C ATOM 0 H ALA A 9 5.139 -41.564 -19.395 1.00 0.00 H new ATOM 0 HA ALA A 9 2.838 -40.049 -18.305 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.129 -39.912 -16.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.745 -41.596 -16.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.382 -40.957 -16.910 1.00 0.00 H new ATOM 93 N SER A 10 3.926 -38.061 -19.325 1.00 0.00 N ATOM 94 CA SER A 10 4.513 -36.796 -19.751 1.00 0.00 C ATOM 95 C SER A 10 3.519 -35.651 -19.579 1.00 0.00 C ATOM 96 O SER A 10 2.492 -35.599 -20.256 1.00 0.00 O ATOM 97 CB SER A 10 4.961 -36.883 -21.211 1.00 0.00 C ATOM 98 OG SER A 10 5.766 -35.772 -21.564 1.00 0.00 O ATOM 0 H SER A 10 2.938 -38.166 -19.555 1.00 0.00 H new ATOM 0 HA SER A 10 5.382 -36.597 -19.124 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.519 -37.806 -21.369 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.087 -36.924 -21.861 1.00 0.00 H new ATOM 0 HG SER A 10 6.041 -35.852 -22.501 1.00 0.00 H new ATOM 104 N SER A 11 3.833 -34.736 -18.668 1.00 0.00 N ATOM 105 CA SER A 11 2.967 -33.593 -18.403 1.00 0.00 C ATOM 106 C SER A 11 3.671 -32.285 -18.752 1.00 0.00 C ATOM 107 O SER A 11 4.864 -32.270 -19.056 1.00 0.00 O ATOM 108 CB SER A 11 2.540 -33.579 -16.934 1.00 0.00 C ATOM 109 OG SER A 11 3.658 -33.405 -16.080 1.00 0.00 O ATOM 0 H SER A 11 4.680 -34.764 -18.101 1.00 0.00 H new ATOM 0 HA SER A 11 2.081 -33.687 -19.031 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.823 -32.775 -16.768 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.034 -34.513 -16.690 1.00 0.00 H new ATOM 0 HG SER A 11 3.359 -33.398 -15.147 1.00 0.00 H new ATOM 115 N VAL A 12 2.922 -31.187 -18.707 1.00 0.00 N ATOM 116 CA VAL A 12 3.473 -29.873 -19.018 1.00 0.00 C ATOM 117 C VAL A 12 3.238 -28.895 -17.873 1.00 0.00 C ATOM 118 O VAL A 12 2.277 -29.028 -17.114 1.00 0.00 O ATOM 119 CB VAL A 12 2.857 -29.296 -20.306 1.00 0.00 C ATOM 120 CG1 VAL A 12 3.406 -27.906 -20.585 1.00 0.00 C ATOM 121 CG2 VAL A 12 3.115 -30.226 -21.482 1.00 0.00 C ATOM 0 H VAL A 12 1.933 -31.182 -18.458 1.00 0.00 H new ATOM 0 HA VAL A 12 4.545 -30.006 -19.165 1.00 0.00 H new ATOM 0 HB VAL A 12 1.779 -29.213 -20.167 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.959 -27.515 -21.499 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.165 -27.246 -19.752 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.488 -27.959 -20.704 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.673 -29.803 -22.384 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.189 -30.343 -21.625 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.668 -31.200 -21.281 1.00 0.00 H new ATOM 131 N LEU A 13 4.122 -27.910 -17.753 1.00 0.00 N ATOM 132 CA LEU A 13 4.012 -26.907 -16.700 1.00 0.00 C ATOM 133 C LEU A 13 2.985 -25.841 -17.069 1.00 0.00 C ATOM 134 O LEU A 13 2.456 -25.834 -18.180 1.00 0.00 O ATOM 135 CB LEU A 13 5.372 -26.255 -16.445 1.00 0.00 C ATOM 136 CG LEU A 13 6.484 -27.188 -15.964 1.00 0.00 C ATOM 137 CD1 LEU A 13 7.145 -27.883 -17.144 1.00 0.00 C ATOM 138 CD2 LEU A 13 7.514 -26.416 -15.152 1.00 0.00 C ATOM 0 H LEU A 13 4.923 -27.785 -18.372 1.00 0.00 H new ATOM 0 HA LEU A 13 3.679 -27.406 -15.790 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.701 -25.775 -17.367 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.241 -25.466 -15.704 1.00 0.00 H new ATOM 0 HG LEU A 13 6.041 -27.949 -15.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.934 -28.543 -16.782 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.401 -28.469 -17.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.574 -27.136 -17.812 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.298 -27.096 -14.818 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.952 -25.633 -15.771 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.031 -25.966 -14.285 1.00 0.00 H new ATOM 150 N GLU A 14 2.711 -24.940 -16.131 1.00 0.00 N ATOM 151 CA GLU A 14 1.749 -23.868 -16.359 1.00 0.00 C ATOM 152 C GLU A 14 2.219 -22.945 -17.480 1.00 0.00 C ATOM 153 O GLU A 14 3.372 -22.516 -17.503 1.00 0.00 O ATOM 154 CB GLU A 14 1.536 -23.062 -15.076 1.00 0.00 C ATOM 155 CG GLU A 14 2.806 -22.424 -14.540 1.00 0.00 C ATOM 156 CD GLU A 14 2.538 -21.456 -13.404 1.00 0.00 C ATOM 157 OE1 GLU A 14 1.729 -21.793 -12.515 1.00 0.00 O ATOM 158 OE2 GLU A 14 3.138 -20.361 -13.405 1.00 0.00 O ATOM 0 H GLU A 14 3.141 -24.931 -15.206 1.00 0.00 H new ATOM 0 HA GLU A 14 0.803 -24.321 -16.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.799 -22.281 -15.266 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.117 -23.716 -14.311 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.483 -23.205 -14.194 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.313 -21.898 -15.349 1.00 0.00 H new ATOM 165 N MET A 15 1.316 -22.645 -18.409 1.00 0.00 N ATOM 166 CA MET A 15 1.637 -21.773 -19.533 1.00 0.00 C ATOM 167 C MET A 15 1.695 -20.315 -19.090 1.00 0.00 C ATOM 168 O MET A 15 0.672 -19.631 -19.040 1.00 0.00 O ATOM 169 CB MET A 15 0.603 -21.940 -20.647 1.00 0.00 C ATOM 170 CG MET A 15 0.856 -23.146 -21.537 1.00 0.00 C ATOM 171 SD MET A 15 2.278 -22.921 -22.623 1.00 0.00 S ATOM 172 CE MET A 15 2.013 -24.241 -23.804 1.00 0.00 C ATOM 0 H MET A 15 0.357 -22.993 -18.405 1.00 0.00 H new ATOM 0 HA MET A 15 2.618 -22.058 -19.913 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.388 -22.029 -20.201 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.596 -21.040 -21.262 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.015 -24.026 -20.914 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.031 -23.340 -22.141 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.813 -24.233 -24.544 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.009 -25.199 -23.284 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.055 -24.095 -24.304 1.00 0.00 H new ATOM 182 N ILE A 16 2.896 -19.845 -18.769 1.00 0.00 N ATOM 183 CA ILE A 16 3.085 -18.468 -18.332 1.00 0.00 C ATOM 184 C ILE A 16 2.244 -17.506 -19.164 1.00 0.00 C ATOM 185 O ILE A 16 2.590 -17.185 -20.301 1.00 0.00 O ATOM 186 CB ILE A 16 4.564 -18.047 -18.420 1.00 0.00 C ATOM 187 CG1 ILE A 16 5.426 -18.944 -17.530 1.00 0.00 C ATOM 188 CG2 ILE A 16 4.724 -16.587 -18.023 1.00 0.00 C ATOM 189 CD1 ILE A 16 5.882 -20.214 -18.213 1.00 0.00 C ATOM 0 H ILE A 16 3.752 -20.398 -18.804 1.00 0.00 H new ATOM 0 HA ILE A 16 2.763 -18.421 -17.292 1.00 0.00 H new ATOM 0 HB ILE A 16 4.898 -18.161 -19.451 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.301 -18.383 -17.202 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.861 -19.205 -16.635 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.775 -16.305 -18.090 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.136 -15.961 -18.694 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.376 -16.448 -16.999 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.488 -20.801 -17.523 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.012 -20.796 -18.517 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.475 -19.962 -19.092 1.00 0.00 H new ATOM 201 N LYS A 17 1.138 -17.046 -18.589 1.00 0.00 N ATOM 202 CA LYS A 17 0.247 -16.118 -19.275 1.00 0.00 C ATOM 203 C LYS A 17 0.879 -14.733 -19.378 1.00 0.00 C ATOM 204 O LYS A 17 1.319 -14.167 -18.378 1.00 0.00 O ATOM 205 CB LYS A 17 -1.092 -16.026 -18.540 1.00 0.00 C ATOM 206 CG LYS A 17 -2.252 -15.627 -19.436 1.00 0.00 C ATOM 207 CD LYS A 17 -2.633 -16.750 -20.387 1.00 0.00 C ATOM 208 CE LYS A 17 -3.694 -17.656 -19.781 1.00 0.00 C ATOM 209 NZ LYS A 17 -3.090 -18.772 -19.002 1.00 0.00 N ATOM 0 H LYS A 17 0.837 -17.301 -17.648 1.00 0.00 H new ATOM 0 HA LYS A 17 0.076 -16.496 -20.283 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.313 -16.990 -18.082 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.003 -15.302 -17.730 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.113 -15.361 -18.822 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.982 -14.740 -20.009 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.004 -16.328 -21.321 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.748 -17.337 -20.632 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.344 -17.070 -19.132 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.320 -18.064 -20.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.741 -19.583 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.190 -19.054 -19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.916 -18.459 -18.025 1.00 0.00 H new ATOM 269 N THR A 21 0.714 -11.180 -15.939 1.00 0.00 N ATOM 270 CA THR A 21 2.031 -10.692 -15.554 1.00 0.00 C ATOM 271 C THR A 21 2.100 -9.171 -15.635 1.00 0.00 C ATOM 272 O THR A 21 1.395 -8.550 -16.432 1.00 0.00 O ATOM 273 CB THR A 21 3.136 -11.293 -16.444 1.00 0.00 C ATOM 274 OG1 THR A 21 3.025 -12.720 -16.466 1.00 0.00 O ATOM 275 CG2 THR A 21 4.514 -10.894 -15.938 1.00 0.00 C ATOM 0 HA THR A 21 2.195 -11.006 -14.523 1.00 0.00 H new ATOM 0 HB THR A 21 3.010 -10.904 -17.454 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.406 -12.989 -17.177 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.278 -11.330 -16.582 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.606 -9.808 -15.950 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.647 -11.258 -14.919 1.00 0.00 H new ATOM 283 N CYS A 22 2.952 -8.577 -14.807 1.00 0.00 N ATOM 284 CA CYS A 22 3.113 -7.128 -14.786 1.00 0.00 C ATOM 285 C CYS A 22 3.474 -6.600 -16.171 1.00 0.00 C ATOM 286 O CYS A 22 4.494 -6.965 -16.756 1.00 0.00 O ATOM 287 CB CYS A 22 4.193 -6.729 -13.778 1.00 0.00 C ATOM 288 SG CYS A 22 4.208 -4.954 -13.369 1.00 0.00 S ATOM 0 H CYS A 22 3.542 -9.077 -14.141 1.00 0.00 H new ATOM 0 HA CYS A 22 2.163 -6.686 -14.485 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.049 -7.301 -12.861 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.168 -7.007 -14.177 1.00 0.00 H new ATOM 0 HG CYS A 22 4.564 -4.797 -12.129 1.00 0.00 H new ATOM 293 N PRO A 23 2.618 -5.719 -16.710 1.00 0.00 N ATOM 294 CA PRO A 23 2.825 -5.121 -18.032 1.00 0.00 C ATOM 295 C PRO A 23 3.995 -4.143 -18.049 1.00 0.00 C ATOM 296 O PRO A 23 4.235 -3.465 -19.049 1.00 0.00 O ATOM 297 CB PRO A 23 1.509 -4.386 -18.300 1.00 0.00 C ATOM 298 CG PRO A 23 0.957 -4.093 -16.947 1.00 0.00 C ATOM 299 CD PRO A 23 1.381 -5.239 -16.070 1.00 0.00 C ATOM 0 HA PRO A 23 3.070 -5.871 -18.784 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.675 -3.470 -18.867 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.823 -5.001 -18.883 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.341 -3.147 -16.565 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.129 -4.007 -16.979 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.559 -4.916 -15.044 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.620 -6.018 -16.031 1.00 0.00 H new ATOM 307 N ILE A 24 4.719 -4.075 -16.937 1.00 0.00 N ATOM 308 CA ILE A 24 5.864 -3.180 -16.826 1.00 0.00 C ATOM 309 C ILE A 24 7.167 -3.966 -16.717 1.00 0.00 C ATOM 310 O ILE A 24 8.041 -3.862 -17.578 1.00 0.00 O ATOM 311 CB ILE A 24 5.736 -2.250 -15.605 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.519 -1.335 -15.760 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.004 -1.429 -15.429 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.143 -0.609 -14.488 1.00 0.00 C ATOM 0 H ILE A 24 4.533 -4.629 -16.101 1.00 0.00 H new ATOM 0 HA ILE A 24 5.881 -2.575 -17.733 1.00 0.00 H new ATOM 0 HB ILE A 24 5.597 -2.861 -14.714 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.723 -0.602 -16.540 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.668 -1.929 -16.095 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.898 -0.777 -14.562 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.852 -2.097 -15.279 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.172 -0.824 -16.320 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.273 0.021 -14.672 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.907 -1.336 -13.710 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.978 0.012 -14.163 1.00 0.00 H new ATOM 326 N CYS A 25 7.289 -4.754 -15.655 1.00 0.00 N ATOM 327 CA CYS A 25 8.484 -5.559 -15.433 1.00 0.00 C ATOM 328 C CYS A 25 8.325 -6.948 -16.046 1.00 0.00 C ATOM 329 O CYS A 25 9.310 -7.641 -16.302 1.00 0.00 O ATOM 330 CB CYS A 25 8.771 -5.681 -13.935 1.00 0.00 C ATOM 331 SG CYS A 25 7.423 -6.448 -12.979 1.00 0.00 S ATOM 0 H CYS A 25 6.574 -4.853 -14.934 1.00 0.00 H new ATOM 0 HA CYS A 25 9.323 -5.060 -15.918 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.679 -6.267 -13.797 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.968 -4.688 -13.532 1.00 0.00 H new ATOM 0 HG CYS A 25 6.353 -5.716 -13.073 1.00 0.00 H new ATOM 336 N LEU A 26 7.080 -7.347 -16.279 1.00 0.00 N ATOM 337 CA LEU A 26 6.791 -8.652 -16.863 1.00 0.00 C ATOM 338 C LEU A 26 7.299 -9.775 -15.963 1.00 0.00 C ATOM 339 O LEU A 26 7.919 -10.727 -16.434 1.00 0.00 O ATOM 340 CB LEU A 26 7.429 -8.765 -18.248 1.00 0.00 C ATOM 341 CG LEU A 26 6.912 -7.790 -19.307 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.763 -7.869 -20.565 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.453 -8.076 -19.628 1.00 0.00 C ATOM 0 H LEU A 26 6.254 -6.785 -16.072 1.00 0.00 H new ATOM 0 HA LEU A 26 5.710 -8.749 -16.959 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.504 -8.620 -18.144 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.278 -9.781 -18.614 1.00 0.00 H new ATOM 0 HG LEU A 26 6.983 -6.778 -18.908 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.381 -7.169 -21.308 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.795 -7.614 -20.323 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.724 -8.881 -20.967 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.102 -7.373 -20.383 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.356 -9.093 -20.007 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.853 -7.967 -18.724 1.00 0.00 H new ATOM 355 N GLU A 27 7.028 -9.656 -14.667 1.00 0.00 N ATOM 356 CA GLU A 27 7.457 -10.662 -13.703 1.00 0.00 C ATOM 357 C GLU A 27 6.379 -10.900 -12.649 1.00 0.00 C ATOM 358 O GLU A 27 5.395 -10.163 -12.574 1.00 0.00 O ATOM 359 CB GLU A 27 8.760 -10.230 -13.026 1.00 0.00 C ATOM 360 CG GLU A 27 10.000 -10.512 -13.858 1.00 0.00 C ATOM 361 CD GLU A 27 10.557 -11.902 -13.623 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.250 -12.494 -12.567 1.00 0.00 O ATOM 363 OE2 GLU A 27 11.300 -12.399 -14.496 1.00 0.00 O ATOM 0 H GLU A 27 6.514 -8.874 -14.261 1.00 0.00 H new ATOM 0 HA GLU A 27 7.627 -11.594 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.712 -9.162 -12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.850 -10.744 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.758 -10.396 -14.914 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.766 -9.773 -13.623 1.00 0.00 H new ATOM 370 N LEU A 28 6.571 -11.934 -11.837 1.00 0.00 N ATOM 371 CA LEU A 28 5.616 -12.270 -10.788 1.00 0.00 C ATOM 372 C LEU A 28 5.224 -11.030 -9.990 1.00 0.00 C ATOM 373 O LEU A 28 6.069 -10.388 -9.365 1.00 0.00 O ATOM 374 CB LEU A 28 6.207 -13.326 -9.852 1.00 0.00 C ATOM 375 CG LEU A 28 6.032 -14.782 -10.287 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.785 -15.713 -9.351 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.556 -15.150 -10.336 1.00 0.00 C ATOM 0 H LEU A 28 7.380 -12.554 -11.885 1.00 0.00 H new ATOM 0 HA LEU A 28 4.721 -12.673 -11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.273 -13.127 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.754 -13.205 -8.868 1.00 0.00 H new ATOM 0 HG LEU A 28 6.447 -14.894 -11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.649 -16.744 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.846 -15.465 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.401 -15.599 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.450 -16.189 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.116 -15.021 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.043 -14.504 -11.049 1.00 0.00 H new ATOM 389 N LEU A 29 3.937 -10.701 -10.014 1.00 0.00 N ATOM 390 CA LEU A 29 3.431 -9.539 -9.291 1.00 0.00 C ATOM 391 C LEU A 29 3.607 -9.715 -7.786 1.00 0.00 C ATOM 392 O LEU A 29 2.952 -10.554 -7.168 1.00 0.00 O ATOM 393 CB LEU A 29 1.955 -9.311 -9.621 1.00 0.00 C ATOM 394 CG LEU A 29 1.633 -9.010 -11.085 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.263 -9.558 -11.453 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.700 -7.513 -11.349 1.00 0.00 C ATOM 0 H LEU A 29 3.225 -11.222 -10.526 1.00 0.00 H new ATOM 0 HA LEU A 29 4.005 -8.668 -9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.395 -10.197 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.591 -8.483 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 29 2.378 -9.502 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.051 -9.335 -12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.251 -10.638 -11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.496 -9.095 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.468 -7.317 -12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.977 -6.999 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.703 -7.149 -11.125 1.00 0.00 H new ATOM 408 N LYS A 30 4.494 -8.917 -7.202 1.00 0.00 N ATOM 409 CA LYS A 30 4.755 -8.981 -5.769 1.00 0.00 C ATOM 410 C LYS A 30 3.845 -8.022 -5.007 1.00 0.00 C ATOM 411 O LYS A 30 3.968 -6.804 -5.135 1.00 0.00 O ATOM 412 CB LYS A 30 6.220 -8.648 -5.481 1.00 0.00 C ATOM 413 CG LYS A 30 6.740 -9.259 -4.191 1.00 0.00 C ATOM 414 CD LYS A 30 7.951 -8.506 -3.665 1.00 0.00 C ATOM 415 CE LYS A 30 7.540 -7.267 -2.884 1.00 0.00 C ATOM 416 NZ LYS A 30 7.169 -7.594 -1.480 1.00 0.00 N ATOM 0 H LYS A 30 5.045 -8.218 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 30 4.547 -9.997 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.833 -8.997 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.335 -7.565 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.951 -9.251 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.006 -10.302 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.539 -9.163 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.591 -8.217 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.360 -6.549 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.696 -6.788 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.895 -6.723 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.370 -8.260 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.982 -8.028 -0.998 1.00 0.00 H new ATOM 430 N GLU A 31 2.935 -8.580 -4.215 1.00 0.00 N ATOM 431 CA GLU A 31 2.006 -7.773 -3.433 1.00 0.00 C ATOM 432 C GLU A 31 1.423 -6.643 -4.277 1.00 0.00 C ATOM 433 O GLU A 31 1.481 -5.468 -3.913 1.00 0.00 O ATOM 434 CB GLU A 31 2.709 -7.194 -2.203 1.00 0.00 C ATOM 435 CG GLU A 31 3.118 -8.246 -1.185 1.00 0.00 C ATOM 436 CD GLU A 31 1.927 -8.926 -0.538 1.00 0.00 C ATOM 437 OE1 GLU A 31 1.207 -9.661 -1.245 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.716 -8.722 0.676 1.00 0.00 O ATOM 0 H GLU A 31 2.821 -9.587 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 31 1.190 -8.418 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.596 -6.648 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.048 -6.473 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.739 -8.997 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.730 -7.780 -0.412 1.00 0.00 H new ATOM 445 N PRO A 32 0.848 -7.005 -5.433 1.00 0.00 N ATOM 446 CA PRO A 32 0.243 -6.038 -6.354 1.00 0.00 C ATOM 447 C PRO A 32 -1.037 -5.428 -5.794 1.00 0.00 C ATOM 448 O PRO A 32 -1.517 -5.830 -4.734 1.00 0.00 O ATOM 449 CB PRO A 32 -0.063 -6.875 -7.598 1.00 0.00 C ATOM 450 CG PRO A 32 -0.207 -8.269 -7.091 1.00 0.00 C ATOM 451 CD PRO A 32 0.743 -8.387 -5.931 1.00 0.00 C ATOM 0 HA PRO A 32 0.902 -5.191 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.975 -6.536 -8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.740 -6.802 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.232 -8.467 -6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.034 -8.994 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.360 -9.062 -5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.712 -8.776 -6.243 1.00 0.00 H new ATOM 459 N VAL A 33 -1.587 -4.454 -6.513 1.00 0.00 N ATOM 460 CA VAL A 33 -2.814 -3.789 -6.089 1.00 0.00 C ATOM 461 C VAL A 33 -3.728 -3.513 -7.278 1.00 0.00 C ATOM 462 O VAL A 33 -3.309 -2.922 -8.273 1.00 0.00 O ATOM 463 CB VAL A 33 -2.512 -2.462 -5.368 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.614 -2.701 -4.164 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.878 -1.467 -6.328 1.00 0.00 C ATOM 0 H VAL A 33 -1.202 -4.108 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.318 -4.464 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.452 -2.040 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.411 -1.752 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.111 -3.376 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.675 -3.146 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.671 -0.535 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.946 -1.879 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.561 -1.273 -7.155 1.00 0.00 H new ATOM 475 N SER A 34 -4.980 -3.945 -7.166 1.00 0.00 N ATOM 476 CA SER A 34 -5.955 -3.747 -8.233 1.00 0.00 C ATOM 477 C SER A 34 -6.289 -2.267 -8.396 1.00 0.00 C ATOM 478 O SER A 34 -6.102 -1.472 -7.475 1.00 0.00 O ATOM 479 CB SER A 34 -7.229 -4.541 -7.942 1.00 0.00 C ATOM 480 OG SER A 34 -6.981 -5.936 -7.976 1.00 0.00 O ATOM 0 H SER A 34 -5.343 -4.434 -6.348 1.00 0.00 H new ATOM 0 HA SER A 34 -5.517 -4.107 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.619 -4.262 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.995 -4.287 -8.675 1.00 0.00 H new ATOM 0 HG SER A 34 -7.811 -6.421 -7.785 1.00 0.00 H new ATOM 486 N ALA A 35 -6.786 -1.906 -9.574 1.00 0.00 N ATOM 487 CA ALA A 35 -7.149 -0.523 -9.858 1.00 0.00 C ATOM 488 C ALA A 35 -8.540 -0.436 -10.477 1.00 0.00 C ATOM 489 O ALA A 35 -9.131 -1.452 -10.844 1.00 0.00 O ATOM 490 CB ALA A 35 -6.120 0.115 -10.779 1.00 0.00 C ATOM 0 H ALA A 35 -6.947 -2.552 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.164 0.023 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.404 1.147 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.141 0.096 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.076 -0.440 -11.716 1.00 0.00 H new ATOM 496 N ASP A 36 -9.058 0.782 -10.588 1.00 0.00 N ATOM 497 CA ASP A 36 -10.381 1.000 -11.163 1.00 0.00 C ATOM 498 C ASP A 36 -10.518 0.281 -12.501 1.00 0.00 C ATOM 499 O ASP A 36 -11.575 -0.265 -12.819 1.00 0.00 O ATOM 500 CB ASP A 36 -10.640 2.497 -11.346 1.00 0.00 C ATOM 501 CG ASP A 36 -12.117 2.819 -11.460 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.868 2.496 -10.516 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.521 3.394 -12.492 1.00 0.00 O ATOM 0 H ASP A 36 -8.583 1.633 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.121 0.592 -10.474 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.216 3.042 -10.502 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.125 2.845 -12.241 1.00 0.00 H new ATOM 508 N CYS A 37 -9.442 0.284 -13.282 1.00 0.00 N ATOM 509 CA CYS A 37 -9.442 -0.366 -14.586 1.00 0.00 C ATOM 510 C CYS A 37 -9.064 -1.840 -14.459 1.00 0.00 C ATOM 511 O CYS A 37 -8.349 -2.382 -15.300 1.00 0.00 O ATOM 512 CB CYS A 37 -8.469 0.341 -15.532 1.00 0.00 C ATOM 513 SG CYS A 37 -6.813 0.617 -14.825 1.00 0.00 S ATOM 0 H CYS A 37 -8.559 0.730 -13.033 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.450 -0.301 -14.997 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.370 -0.250 -16.442 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.894 1.302 -15.821 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.995 0.986 -15.766 1.00 0.00 H new ATOM 518 N ASN A 38 -9.551 -2.480 -13.401 1.00 0.00 N ATOM 519 CA ASN A 38 -9.265 -3.890 -13.163 1.00 0.00 C ATOM 520 C ASN A 38 -7.838 -4.234 -13.580 1.00 0.00 C ATOM 521 O ASN A 38 -7.582 -5.300 -14.140 1.00 0.00 O ATOM 522 CB ASN A 38 -10.256 -4.770 -13.928 1.00 0.00 C ATOM 523 CG ASN A 38 -10.448 -6.126 -13.277 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.428 -6.353 -12.567 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.510 -7.035 -13.516 1.00 0.00 N ATOM 0 H ASN A 38 -10.145 -2.045 -12.695 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.369 -4.080 -12.095 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.218 -4.260 -13.990 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.902 -4.907 -14.950 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.585 -7.965 -13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.715 -6.803 -14.111 1.00 0.00 H new ATOM 532 N HIS A 39 -6.911 -3.322 -13.302 1.00 0.00 N ATOM 533 CA HIS A 39 -5.508 -3.529 -13.647 1.00 0.00 C ATOM 534 C HIS A 39 -4.624 -3.432 -12.407 1.00 0.00 C ATOM 535 O HIS A 39 -4.575 -2.394 -11.748 1.00 0.00 O ATOM 536 CB HIS A 39 -5.061 -2.502 -14.688 1.00 0.00 C ATOM 537 CG HIS A 39 -5.680 -2.708 -16.037 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.802 -1.701 -16.970 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.213 -3.814 -16.607 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.384 -2.178 -18.056 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.643 -3.458 -17.861 1.00 0.00 N ATOM 0 H HIS A 39 -7.105 -2.434 -12.840 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.406 -4.530 -14.067 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.311 -1.503 -14.331 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.976 -2.544 -14.785 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.491 -0.738 -16.842 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.286 -4.794 -16.159 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.609 -1.617 -18.951 1.00 0.00 H new ATOM 549 N SER A 40 -3.928 -4.520 -12.097 1.00 0.00 N ATOM 550 CA SER A 40 -3.049 -4.559 -10.934 1.00 0.00 C ATOM 551 C SER A 40 -1.585 -4.495 -11.357 1.00 0.00 C ATOM 552 O SER A 40 -1.223 -4.931 -12.450 1.00 0.00 O ATOM 553 CB SER A 40 -3.301 -5.830 -10.120 1.00 0.00 C ATOM 554 OG SER A 40 -3.076 -6.990 -10.902 1.00 0.00 O ATOM 0 H SER A 40 -3.955 -5.386 -12.634 1.00 0.00 H new ATOM 0 HA SER A 40 -3.269 -3.689 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.647 -5.843 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.326 -5.831 -9.749 1.00 0.00 H new ATOM 0 HG SER A 40 -3.242 -7.788 -10.358 1.00 0.00 H new ATOM 560 N PHE A 41 -0.746 -3.948 -10.483 1.00 0.00 N ATOM 561 CA PHE A 41 0.679 -3.825 -10.765 1.00 0.00 C ATOM 562 C PHE A 41 1.500 -3.955 -9.485 1.00 0.00 C ATOM 563 O PHE A 41 0.989 -3.753 -8.383 1.00 0.00 O ATOM 564 CB PHE A 41 0.973 -2.483 -11.439 1.00 0.00 C ATOM 565 CG PHE A 41 -0.094 -2.050 -12.403 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.253 -1.443 -11.948 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.062 -2.251 -13.766 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.237 -1.043 -12.832 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.919 -1.853 -14.655 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.070 -1.249 -14.187 1.00 0.00 C ATOM 0 H PHE A 41 -1.029 -3.583 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 41 0.961 -4.633 -11.440 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.090 -1.718 -10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.923 -2.552 -11.968 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.389 -1.280 -10.889 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.959 -2.724 -14.137 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.135 -0.570 -12.464 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.786 -2.014 -15.715 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.838 -0.938 -14.880 1.00 0.00 H new ATOM 580 N CYS A 42 2.776 -4.293 -9.639 1.00 0.00 N ATOM 581 CA CYS A 42 3.669 -4.451 -8.498 1.00 0.00 C ATOM 582 C CYS A 42 3.608 -3.229 -7.587 1.00 0.00 C ATOM 583 O CYS A 42 3.830 -2.101 -8.028 1.00 0.00 O ATOM 584 CB CYS A 42 5.105 -4.675 -8.975 1.00 0.00 C ATOM 585 SG CYS A 42 5.290 -6.047 -10.159 1.00 0.00 S ATOM 0 H CYS A 42 3.215 -4.463 -10.544 1.00 0.00 H new ATOM 0 HA CYS A 42 3.342 -5.322 -7.930 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.470 -3.758 -9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.738 -4.869 -8.109 1.00 0.00 H new ATOM 0 HG CYS A 42 6.201 -5.744 -11.035 1.00 0.00 H new ATOM 590 N ARG A 43 3.307 -3.461 -6.313 1.00 0.00 N ATOM 591 CA ARG A 43 3.216 -2.380 -5.340 1.00 0.00 C ATOM 592 C ARG A 43 4.213 -1.271 -5.665 1.00 0.00 C ATOM 593 O ARG A 43 3.908 -0.087 -5.521 1.00 0.00 O ATOM 594 CB ARG A 43 3.472 -2.912 -3.929 1.00 0.00 C ATOM 595 CG ARG A 43 3.370 -1.848 -2.848 1.00 0.00 C ATOM 596 CD ARG A 43 2.890 -2.436 -1.531 1.00 0.00 C ATOM 597 NE ARG A 43 3.390 -1.686 -0.382 1.00 0.00 N ATOM 598 CZ ARG A 43 4.654 -1.721 0.024 1.00 0.00 C ATOM 599 NH1 ARG A 43 5.542 -2.464 -0.622 1.00 0.00 N ATOM 600 NH2 ARG A 43 5.033 -1.010 1.079 1.00 0.00 N ATOM 0 H ARG A 43 3.122 -4.389 -5.931 1.00 0.00 H new ATOM 0 HA ARG A 43 2.209 -1.966 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.757 -3.706 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.465 -3.360 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.343 -1.379 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.683 -1.065 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.800 -2.443 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.217 -3.473 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 43 2.733 -1.104 0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.255 -3.011 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.512 -2.488 -0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.353 -0.436 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.004 -1.037 1.390 1.00 0.00 H new ATOM 614 N ALA A 44 5.405 -1.663 -6.103 1.00 0.00 N ATOM 615 CA ALA A 44 6.445 -0.703 -6.449 1.00 0.00 C ATOM 616 C ALA A 44 6.193 -0.093 -7.824 1.00 0.00 C ATOM 617 O ALA A 44 6.030 1.121 -7.955 1.00 0.00 O ATOM 618 CB ALA A 44 7.813 -1.369 -6.408 1.00 0.00 C ATOM 0 H ALA A 44 5.674 -2.639 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 44 6.422 0.101 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.580 -0.640 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.002 -1.752 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.838 -2.193 -7.121 1.00 0.00 H new ATOM 624 N CYS A 45 6.164 -0.941 -8.846 1.00 0.00 N ATOM 625 CA CYS A 45 5.933 -0.485 -10.212 1.00 0.00 C ATOM 626 C CYS A 45 4.905 0.642 -10.243 1.00 0.00 C ATOM 627 O CYS A 45 5.224 1.777 -10.597 1.00 0.00 O ATOM 628 CB CYS A 45 5.459 -1.648 -11.086 1.00 0.00 C ATOM 629 SG CYS A 45 6.783 -2.798 -11.577 1.00 0.00 S ATOM 0 H CYS A 45 6.298 -1.948 -8.755 1.00 0.00 H new ATOM 0 HA CYS A 45 6.875 -0.104 -10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.691 -2.204 -10.547 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.990 -1.246 -11.984 1.00 0.00 H new ATOM 0 HG CYS A 45 6.279 -3.762 -12.289 1.00 0.00 H new ATOM 634 N ILE A 46 3.671 0.320 -9.869 1.00 0.00 N ATOM 635 CA ILE A 46 2.597 1.305 -9.853 1.00 0.00 C ATOM 636 C ILE A 46 3.074 2.629 -9.265 1.00 0.00 C ATOM 637 O ILE A 46 2.788 3.699 -9.803 1.00 0.00 O ATOM 638 CB ILE A 46 1.386 0.804 -9.044 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.237 1.811 -9.129 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.780 0.563 -7.594 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.626 1.641 -10.359 1.00 0.00 C ATOM 0 H ILE A 46 3.391 -0.615 -9.573 1.00 0.00 H new ATOM 0 HA ILE A 46 2.294 1.458 -10.889 1.00 0.00 H new ATOM 0 HB ILE A 46 1.049 -0.141 -9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.387 1.713 -8.241 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.648 2.820 -9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.913 0.209 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.570 -0.187 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.139 1.494 -7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.420 2.388 -10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.015 1.768 -11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.066 0.644 -10.360 1.00 0.00 H new ATOM 653 N THR A 47 3.805 2.549 -8.157 1.00 0.00 N ATOM 654 CA THR A 47 4.323 3.740 -7.496 1.00 0.00 C ATOM 655 C THR A 47 5.275 4.506 -8.408 1.00 0.00 C ATOM 656 O THR A 47 5.047 5.676 -8.719 1.00 0.00 O ATOM 657 CB THR A 47 5.058 3.383 -6.190 1.00 0.00 C ATOM 658 OG1 THR A 47 4.194 2.630 -5.332 1.00 0.00 O ATOM 659 CG2 THR A 47 5.527 4.639 -5.472 1.00 0.00 C ATOM 0 H THR A 47 4.051 1.672 -7.699 1.00 0.00 H new ATOM 0 HA THR A 47 3.464 4.369 -7.261 1.00 0.00 H new ATOM 0 HB THR A 47 5.931 2.782 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.253 1.679 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.043 4.361 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.208 5.194 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.666 5.263 -5.231 1.00 0.00 H new ATOM 667 N LEU A 48 6.341 3.839 -8.836 1.00 0.00 N ATOM 668 CA LEU A 48 7.328 4.457 -9.715 1.00 0.00 C ATOM 669 C LEU A 48 6.669 4.994 -10.982 1.00 0.00 C ATOM 670 O LEU A 48 6.711 6.193 -11.255 1.00 0.00 O ATOM 671 CB LEU A 48 8.416 3.447 -10.082 1.00 0.00 C ATOM 672 CG LEU A 48 9.745 4.035 -10.557 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.873 3.035 -10.359 1.00 0.00 C ATOM 674 CD2 LEU A 48 9.652 4.454 -12.017 1.00 0.00 C ATOM 0 H LEU A 48 6.544 2.870 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 48 7.781 5.292 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.610 2.820 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.029 2.795 -10.865 1.00 0.00 H new ATOM 0 HG LEU A 48 9.962 4.920 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.811 3.471 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.956 2.784 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.662 2.131 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.607 4.870 -12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.410 3.586 -12.630 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.872 5.207 -12.131 1.00 0.00 H new ATOM 686 N ASN A 49 6.057 4.098 -11.750 1.00 0.00 N ATOM 687 CA ASN A 49 5.387 4.482 -12.987 1.00 0.00 C ATOM 688 C ASN A 49 4.688 5.829 -12.831 1.00 0.00 C ATOM 689 O ASN A 49 4.806 6.705 -13.689 1.00 0.00 O ATOM 690 CB ASN A 49 4.372 3.413 -13.395 1.00 0.00 C ATOM 691 CG ASN A 49 3.869 3.604 -14.813 1.00 0.00 C ATOM 692 OD1 ASN A 49 2.762 4.097 -15.029 1.00 0.00 O ATOM 693 ND2 ASN A 49 4.682 3.214 -15.787 1.00 0.00 N ATOM 0 H ASN A 49 6.011 3.101 -11.537 1.00 0.00 H new ATOM 0 HA ASN A 49 6.143 4.572 -13.767 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.830 2.428 -13.304 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.527 3.436 -12.707 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.398 3.318 -16.761 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.591 2.810 -15.561 1.00 0.00 H new ATOM 700 N TYR A 50 3.961 5.988 -11.731 1.00 0.00 N ATOM 701 CA TYR A 50 3.241 7.228 -11.463 1.00 0.00 C ATOM 702 C TYR A 50 4.206 8.404 -11.347 1.00 0.00 C ATOM 703 O TYR A 50 4.014 9.442 -11.980 1.00 0.00 O ATOM 704 CB TYR A 50 2.421 7.098 -10.179 1.00 0.00 C ATOM 705 CG TYR A 50 2.001 8.427 -9.592 1.00 0.00 C ATOM 706 CD1 TYR A 50 2.890 9.191 -8.846 1.00 0.00 C ATOM 707 CD2 TYR A 50 0.715 8.917 -9.781 1.00 0.00 C ATOM 708 CE1 TYR A 50 2.511 10.405 -8.307 1.00 0.00 C ATOM 709 CE2 TYR A 50 0.327 10.131 -9.248 1.00 0.00 C ATOM 710 CZ TYR A 50 1.229 10.871 -8.511 1.00 0.00 C ATOM 711 OH TYR A 50 0.846 12.080 -7.977 1.00 0.00 O ATOM 0 H TYR A 50 3.854 5.274 -11.010 1.00 0.00 H new ATOM 0 HA TYR A 50 2.567 7.416 -12.299 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.531 6.504 -10.385 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.005 6.551 -9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.895 8.829 -8.685 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.006 8.339 -10.355 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.215 10.986 -7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.676 10.499 -9.407 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.087 12.262 -8.215 1.00 0.00 H new ATOM 721 N GLU A 51 5.243 8.232 -10.534 1.00 0.00 N ATOM 722 CA GLU A 51 6.238 9.279 -10.335 1.00 0.00 C ATOM 723 C GLU A 51 6.852 9.707 -11.665 1.00 0.00 C ATOM 724 O GLU A 51 6.808 10.881 -12.031 1.00 0.00 O ATOM 725 CB GLU A 51 7.337 8.795 -9.386 1.00 0.00 C ATOM 726 CG GLU A 51 6.899 8.724 -7.933 1.00 0.00 C ATOM 727 CD GLU A 51 8.070 8.637 -6.974 1.00 0.00 C ATOM 728 OE1 GLU A 51 8.737 7.582 -6.946 1.00 0.00 O ATOM 729 OE2 GLU A 51 8.320 9.625 -6.252 1.00 0.00 O ATOM 0 H GLU A 51 5.416 7.379 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 51 5.738 10.140 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.671 7.808 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.195 9.463 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.303 9.605 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.255 7.856 -7.794 1.00 0.00 H new ATOM 861 N ASN A 61 -1.445 8.128 -14.818 1.00 0.00 N ATOM 862 CA ASN A 61 -2.038 7.436 -15.957 1.00 0.00 C ATOM 863 C ASN A 61 -1.638 5.964 -15.967 1.00 0.00 C ATOM 864 O ASN A 61 -0.528 5.607 -15.570 1.00 0.00 O ATOM 865 CB ASN A 61 -1.607 8.102 -17.265 1.00 0.00 C ATOM 866 CG ASN A 61 -0.100 8.205 -17.393 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.642 7.493 -16.714 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.361 9.094 -18.265 1.00 0.00 N ATOM 0 HA ASN A 61 -3.122 7.499 -15.865 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.002 7.533 -18.106 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.043 9.100 -17.322 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.366 9.208 -18.394 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.290 9.663 -18.806 1.00 0.00 H new ATOM 875 N CYS A 62 -2.549 5.112 -16.425 1.00 0.00 N ATOM 876 CA CYS A 62 -2.294 3.678 -16.489 1.00 0.00 C ATOM 877 C CYS A 62 -1.404 3.337 -17.681 1.00 0.00 C ATOM 878 O CYS A 62 -1.679 3.714 -18.820 1.00 0.00 O ATOM 879 CB CYS A 62 -3.612 2.907 -16.584 1.00 0.00 C ATOM 880 SG CYS A 62 -3.439 1.108 -16.357 1.00 0.00 S ATOM 0 H CYS A 62 -3.472 5.391 -16.758 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.776 3.385 -15.576 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.301 3.293 -15.833 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.063 3.098 -17.558 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.715 0.871 -15.304 1.00 0.00 H new ATOM 885 N PRO A 63 -0.313 2.604 -17.414 1.00 0.00 N ATOM 886 CA PRO A 63 0.639 2.195 -18.451 1.00 0.00 C ATOM 887 C PRO A 63 0.052 1.153 -19.397 1.00 0.00 C ATOM 888 O PRO A 63 0.757 0.596 -20.239 1.00 0.00 O ATOM 889 CB PRO A 63 1.799 1.597 -17.652 1.00 0.00 C ATOM 890 CG PRO A 63 1.185 1.147 -16.371 1.00 0.00 C ATOM 891 CD PRO A 63 0.077 2.120 -16.079 1.00 0.00 C ATOM 0 HA PRO A 63 0.929 3.029 -19.090 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.259 0.764 -18.185 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.582 2.335 -17.478 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.799 0.131 -16.459 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.921 1.140 -15.567 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.756 1.638 -15.567 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.416 2.935 -15.439 1.00 0.00 H new ATOM 899 N VAL A 64 -1.244 0.894 -19.255 1.00 0.00 N ATOM 900 CA VAL A 64 -1.927 -0.080 -20.098 1.00 0.00 C ATOM 901 C VAL A 64 -3.095 0.559 -20.840 1.00 0.00 C ATOM 902 O VAL A 64 -3.191 0.470 -22.065 1.00 0.00 O ATOM 903 CB VAL A 64 -2.447 -1.271 -19.272 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.200 -2.249 -20.161 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.298 -1.964 -18.556 1.00 0.00 C ATOM 0 H VAL A 64 -1.842 1.346 -18.563 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.195 -0.441 -20.821 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.140 -0.894 -18.519 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.560 -3.084 -19.560 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.047 -1.742 -20.623 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.533 -2.622 -20.938 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.683 -2.803 -17.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.579 -2.329 -19.290 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.807 -1.257 -17.887 1.00 0.00 H new ATOM 915 N CYS A 65 -3.983 1.205 -20.091 1.00 0.00 N ATOM 916 CA CYS A 65 -5.146 1.860 -20.677 1.00 0.00 C ATOM 917 C CYS A 65 -5.010 3.378 -20.603 1.00 0.00 C ATOM 918 O CYS A 65 -5.767 4.111 -21.240 1.00 0.00 O ATOM 919 CB CYS A 65 -6.422 1.416 -19.960 1.00 0.00 C ATOM 920 SG CYS A 65 -6.430 1.764 -18.172 1.00 0.00 S ATOM 0 H CYS A 65 -3.919 1.289 -19.076 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.206 1.569 -21.726 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.276 1.913 -20.420 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.557 0.345 -20.111 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.325 1.333 -17.641 1.00 0.00 H new ATOM 925 N ARG A 66 -4.041 3.843 -19.821 1.00 0.00 N ATOM 926 CA ARG A 66 -3.806 5.273 -19.663 1.00 0.00 C ATOM 927 C ARG A 66 -5.047 5.970 -19.112 1.00 0.00 C ATOM 928 O ARG A 66 -5.512 6.964 -19.670 1.00 0.00 O ATOM 929 CB ARG A 66 -3.409 5.897 -21.002 1.00 0.00 C ATOM 930 CG ARG A 66 -2.131 5.321 -21.588 1.00 0.00 C ATOM 931 CD ARG A 66 -0.907 5.767 -20.803 1.00 0.00 C ATOM 932 NE ARG A 66 -0.363 7.025 -21.306 1.00 0.00 N ATOM 933 CZ ARG A 66 0.505 7.102 -22.308 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.926 5.999 -22.911 1.00 0.00 N ATOM 935 NH2 ARG A 66 0.955 8.285 -22.709 1.00 0.00 N ATOM 0 H ARG A 66 -3.406 3.250 -19.287 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.990 5.406 -18.952 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.222 5.755 -21.714 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.286 6.972 -20.870 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.188 4.232 -21.588 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.032 5.635 -22.627 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.172 5.881 -19.752 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.141 4.994 -20.856 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.666 7.892 -20.863 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.583 5.088 -22.606 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.593 6.061 -23.680 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.634 9.136 -22.247 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.622 8.343 -23.479 1.00 0.00 H new ATOM 949 N VAL A 67 -5.578 5.441 -18.015 1.00 0.00 N ATOM 950 CA VAL A 67 -6.764 6.012 -17.388 1.00 0.00 C ATOM 951 C VAL A 67 -6.418 6.675 -16.059 1.00 0.00 C ATOM 952 O VAL A 67 -5.659 6.142 -15.250 1.00 0.00 O ATOM 953 CB VAL A 67 -7.843 4.940 -17.148 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.361 3.914 -16.134 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.142 5.586 -16.689 1.00 0.00 C ATOM 0 H VAL A 67 -5.206 4.618 -17.542 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.154 6.763 -18.075 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.033 4.423 -18.089 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.137 3.165 -15.978 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.459 3.430 -16.507 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.141 4.411 -15.189 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.894 4.814 -16.524 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.970 6.129 -15.760 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.494 6.278 -17.454 1.00 0.00 H new ATOM 965 N PRO A 68 -6.987 7.867 -15.827 1.00 0.00 N ATOM 966 CA PRO A 68 -6.755 8.629 -14.596 1.00 0.00 C ATOM 967 C PRO A 68 -7.399 7.975 -13.379 1.00 0.00 C ATOM 968 O PRO A 68 -8.618 8.013 -13.214 1.00 0.00 O ATOM 969 CB PRO A 68 -7.412 9.981 -14.887 1.00 0.00 C ATOM 970 CG PRO A 68 -8.453 9.684 -15.911 1.00 0.00 C ATOM 971 CD PRO A 68 -7.902 8.563 -16.748 1.00 0.00 C ATOM 0 HA PRO A 68 -5.695 8.698 -14.353 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.853 10.409 -13.987 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.685 10.703 -15.259 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.392 9.394 -15.440 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.661 10.562 -16.523 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.692 7.902 -17.105 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.378 8.938 -17.627 1.00 0.00 H new ATOM 979 N TYR A 69 -6.572 7.376 -12.529 1.00 0.00 N ATOM 980 CA TYR A 69 -7.062 6.711 -11.327 1.00 0.00 C ATOM 981 C TYR A 69 -6.563 7.420 -10.071 1.00 0.00 C ATOM 982 O TYR A 69 -5.415 7.856 -9.988 1.00 0.00 O ATOM 983 CB TYR A 69 -6.616 5.248 -11.311 1.00 0.00 C ATOM 984 CG TYR A 69 -5.115 5.072 -11.306 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.406 5.017 -10.112 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.404 4.962 -12.495 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.034 4.857 -10.102 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.032 4.800 -12.495 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.352 4.748 -11.296 1.00 0.00 C ATOM 990 OH TYR A 69 -0.985 4.589 -11.292 1.00 0.00 O ATOM 0 H TYR A 69 -5.560 7.337 -12.650 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.151 6.752 -11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.033 4.759 -10.431 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.030 4.741 -12.183 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.937 5.101 -9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.933 5.004 -13.435 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.498 4.817 -9.165 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.495 4.715 -13.428 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.660 4.527 -12.215 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.448 7.537 -9.070 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.121 8.191 -7.799 1.00 0.00 C ATOM 1002 C PRO A 70 -6.137 7.378 -6.965 1.00 0.00 C ATOM 1003 O PRO A 70 -6.474 6.310 -6.454 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.475 8.283 -7.090 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.283 7.175 -7.672 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.834 7.041 -9.101 1.00 0.00 C ATOM 0 HA PRO A 70 -6.636 9.156 -7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.366 8.169 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.947 9.250 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.123 6.246 -7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.348 7.398 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.883 6.007 -9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.457 7.629 -9.775 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.918 7.891 -6.830 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.884 7.212 -6.058 1.00 0.00 C ATOM 1016 C PHE A 71 -4.374 6.904 -4.646 1.00 0.00 C ATOM 1017 O PHE A 71 -5.215 7.616 -4.100 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.619 8.070 -5.996 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.369 7.278 -5.739 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.972 6.984 -4.445 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.592 6.825 -6.793 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.178 6.256 -4.206 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.559 6.095 -6.561 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.944 5.810 -5.265 1.00 0.00 C ATOM 0 H PHE A 71 -4.622 8.775 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.652 6.271 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.510 8.611 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.734 8.817 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.568 7.328 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -0.889 7.045 -7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.477 6.036 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.156 5.748 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.842 5.240 -5.081 1.00 0.00 H new ATOM 1034 N GLY A 72 -3.839 5.837 -4.061 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.234 5.452 -2.718 1.00 0.00 C ATOM 1036 C GLY A 72 -5.443 4.538 -2.709 1.00 0.00 C ATOM 1037 O GLY A 72 -5.544 3.640 -1.874 1.00 0.00 O ATOM 0 H GLY A 72 -3.140 5.233 -4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.400 4.951 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.455 6.347 -2.137 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.364 4.768 -3.639 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.574 3.960 -3.733 1.00 0.00 C ATOM 1043 C ASN A 73 -7.291 2.636 -4.437 1.00 0.00 C ATOM 1044 O ASN A 73 -8.058 2.201 -5.297 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.667 4.725 -4.482 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.545 5.539 -3.551 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.115 5.009 -2.597 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -9.659 6.833 -3.826 1.00 0.00 N ATOM 0 H ASN A 73 -6.295 5.507 -4.338 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.918 3.747 -2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.206 5.388 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.286 4.019 -5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.237 7.431 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.168 7.229 -4.628 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.186 2.000 -4.066 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.801 0.725 -4.661 1.00 0.00 C ATOM 1057 C LEU A 74 -6.012 -0.421 -3.677 1.00 0.00 C ATOM 1058 O LEU A 74 -5.574 -0.357 -2.528 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.337 0.768 -5.104 1.00 0.00 C ATOM 1060 CG LEU A 74 -3.992 1.797 -6.182 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.493 2.050 -6.217 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.489 1.331 -7.543 1.00 0.00 C ATOM 0 H LEU A 74 -5.541 2.346 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.433 0.553 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.719 0.967 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.060 -0.220 -5.471 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.492 2.734 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.266 2.785 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.165 2.429 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.972 1.118 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.235 2.075 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.018 0.381 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.571 1.202 -7.511 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.685 -1.471 -4.135 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.952 -2.634 -3.297 1.00 0.00 C ATOM 1076 C LYS A 75 -5.875 -3.698 -3.484 1.00 0.00 C ATOM 1077 O LYS A 75 -5.360 -3.909 -4.582 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.326 -3.222 -3.628 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.472 -2.248 -3.411 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.744 -2.027 -1.933 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.385 -0.671 -1.680 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.746 -0.486 -0.247 1.00 0.00 N ATOM 0 H LYS A 75 -7.056 -1.540 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.942 -2.310 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.331 -3.550 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.491 -4.107 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.235 -1.295 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.371 -2.630 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.399 -2.815 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.810 -2.099 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.698 0.118 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.279 -0.572 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.180 0.450 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.421 -1.224 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.889 -0.555 0.339 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.526 -4.386 -2.386 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.508 -5.441 -2.404 1.00 0.00 C ATOM 1098 C PRO A 76 -4.974 -6.684 -3.155 1.00 0.00 C ATOM 1099 O PRO A 76 -6.032 -7.238 -2.860 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.300 -5.758 -0.921 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.580 -5.366 -0.267 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.098 -4.188 -1.044 1.00 0.00 C ATOM 0 HA PRO A 76 -3.600 -5.123 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.085 -6.816 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.459 -5.199 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.295 -6.189 -0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.420 -5.104 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.188 -4.172 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.775 -3.244 -0.605 1.00 0.00 H new