USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= 0.0383 K(o=0.038,f=-1.6!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.0208 USER MOD Set 4.2: A 21 THR OG1 : rot -70:sc= 0.0221 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0332 (180deg=-0.348) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.335 K(o=-0.33,f=-1.9) USER MOD Single : A 29 GLN : amide:sc=-0.000642 X(o=-0.00064,f=-0.27) USER MOD Single : A 35 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.414 (180deg=-0.711) USER MOD Single : A 43 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-2.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.835 K(o=0.83,f=0) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : C 7 LYS NZ :NH3+ -161:sc= -0.0421 (180deg=-0.361) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.718 X(o=-0.72,f=-0.45) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : C 35 ASN : amide:sc= -0.0493 K(o=-0.049,f=-2.1!) USER MOD Single : C 38 LYS NZ :NH3+ 162:sc= -0.552 (180deg=-0.95) USER MOD Single : C 43 HIS : no HE2:sc= -0.978 X(o=-0.98,f=-1.1) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.917 K(o=0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.900 2.989 -1.904 1.00 0.00 N ATOM 2 CA MET A 1 -11.942 2.445 -0.925 1.00 0.00 C ATOM 3 C MET A 1 -11.970 0.927 -0.927 1.00 0.00 C ATOM 4 O MET A 1 -13.028 0.337 -0.747 1.00 0.00 O ATOM 5 CB MET A 1 -12.267 2.930 0.489 1.00 0.00 C ATOM 6 CG MET A 1 -11.364 2.265 1.526 1.00 0.00 C ATOM 7 SD MET A 1 -9.633 2.782 1.476 1.00 0.00 S ATOM 8 CE MET A 1 -9.819 4.287 2.462 1.00 0.00 C ATOM 0 H1 MET A 1 -12.863 4.028 -1.885 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.653 2.651 -2.856 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.861 2.672 -1.663 1.00 0.00 H new ATOM 0 HA MET A 1 -10.952 2.797 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.148 4.012 0.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.310 2.713 0.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.761 2.474 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.409 1.185 1.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.851 4.779 2.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.520 4.961 1.969 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.198 4.030 3.451 1.00 0.00 H new ATOM 20 N LEU A 2 -10.811 0.297 -1.118 1.00 0.00 N ATOM 21 CA LEU A 2 -10.678 -1.146 -1.048 1.00 0.00 C ATOM 22 C LEU A 2 -9.551 -1.437 -0.053 1.00 0.00 C ATOM 23 O LEU A 2 -8.387 -1.144 -0.329 1.00 0.00 O ATOM 24 CB LEU A 2 -10.402 -1.672 -2.461 1.00 0.00 C ATOM 25 CG LEU A 2 -10.436 -3.201 -2.617 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.017 -3.745 -2.625 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.194 -3.938 -1.515 1.00 0.00 C ATOM 0 H LEU A 2 -9.938 0.781 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.579 -1.650 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.136 -1.239 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.423 -1.314 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.963 -3.378 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.044 -4.829 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.465 -3.309 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.524 -3.488 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.165 -5.010 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.728 -3.730 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.230 -3.600 -1.498 1.00 0.00 H new ATOM 39 N ILE A 3 -9.911 -2.013 1.096 1.00 0.00 N ATOM 40 CA ILE A 3 -8.965 -2.342 2.152 1.00 0.00 C ATOM 41 C ILE A 3 -8.366 -3.719 1.894 1.00 0.00 C ATOM 42 O ILE A 3 -9.040 -4.607 1.378 1.00 0.00 O ATOM 43 CB ILE A 3 -9.647 -2.346 3.529 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.074 -0.940 3.963 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.655 -2.849 4.581 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.480 -0.596 3.489 1.00 0.00 C ATOM 0 H ILE A 3 -10.875 -2.264 1.316 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.183 -1.583 2.151 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.526 -2.986 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.031 -0.868 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.369 -0.209 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.134 -2.854 5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.338 -3.860 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.786 -2.191 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.740 0.410 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.518 -0.641 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.190 -1.310 3.907 1.00 0.00 H new ATOM 58 N LEU A 4 -7.092 -3.875 2.264 1.00 0.00 N ATOM 59 CA LEU A 4 -6.404 -5.151 2.253 1.00 0.00 C ATOM 60 C LEU A 4 -5.474 -5.191 3.462 1.00 0.00 C ATOM 61 O LEU A 4 -4.769 -4.219 3.730 1.00 0.00 O ATOM 62 CB LEU A 4 -5.581 -5.288 0.964 1.00 0.00 C ATOM 63 CG LEU A 4 -6.443 -5.402 -0.297 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.542 -5.389 -1.530 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.241 -6.705 -0.303 1.00 0.00 C ATOM 0 H LEU A 4 -6.508 -3.102 2.583 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.122 -5.970 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.922 -4.425 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.943 -6.169 1.040 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.134 -4.559 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.154 -5.470 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.977 -4.457 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.851 -6.231 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.844 -6.758 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.555 -7.552 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.894 -6.736 0.569 1.00 0.00 H new ATOM 77 N THR A 5 -5.470 -6.309 4.186 1.00 0.00 N ATOM 78 CA THR A 5 -4.521 -6.519 5.272 1.00 0.00 C ATOM 79 C THR A 5 -3.289 -7.190 4.685 1.00 0.00 C ATOM 80 O THR A 5 -3.394 -7.981 3.745 1.00 0.00 O ATOM 81 CB THR A 5 -5.108 -7.404 6.373 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.569 -8.626 5.842 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.268 -6.710 7.072 1.00 0.00 C ATOM 0 H THR A 5 -6.116 -7.084 4.038 1.00 0.00 H new ATOM 0 HA THR A 5 -4.274 -5.558 5.723 1.00 0.00 H new ATOM 0 HB THR A 5 -4.311 -7.594 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.939 -9.177 6.563 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.666 -7.361 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.919 -5.780 7.521 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.051 -6.490 6.346 1.00 0.00 H new ATOM 91 N ARG A 6 -2.107 -6.885 5.223 1.00 0.00 N ATOM 92 CA ARG A 6 -0.889 -7.511 4.737 1.00 0.00 C ATOM 93 C ARG A 6 0.137 -7.636 5.860 1.00 0.00 C ATOM 94 O ARG A 6 0.393 -6.666 6.570 1.00 0.00 O ATOM 95 CB ARG A 6 -0.351 -6.641 3.600 1.00 0.00 C ATOM 96 CG ARG A 6 0.628 -7.386 2.701 1.00 0.00 C ATOM 97 CD ARG A 6 -0.060 -8.172 1.578 1.00 0.00 C ATOM 98 NE ARG A 6 -0.845 -9.316 2.056 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.064 -10.418 1.330 1.00 0.00 C ATOM 100 NH1 ARG A 6 -0.574 -10.532 0.096 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.776 -11.421 1.834 1.00 0.00 N ATOM 0 H ARG A 6 -1.973 -6.218 5.983 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.093 -8.520 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.185 -6.279 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.143 -5.765 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.324 -6.671 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.218 -8.073 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.715 -7.499 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.697 -8.528 0.879 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.245 -9.268 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.024 -9.773 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.749 -11.378 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.158 -11.352 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.941 -12.260 1.277 1.00 0.00 H new ATOM 115 N LYS A 7 0.721 -8.831 6.023 1.00 0.00 N ATOM 116 CA LYS A 7 1.787 -9.042 6.991 1.00 0.00 C ATOM 117 C LYS A 7 3.096 -8.539 6.385 1.00 0.00 C ATOM 118 O LYS A 7 3.284 -8.616 5.170 1.00 0.00 O ATOM 119 CB LYS A 7 1.895 -10.535 7.324 1.00 0.00 C ATOM 120 CG LYS A 7 1.960 -10.830 8.825 1.00 0.00 C ATOM 121 CD LYS A 7 0.639 -10.504 9.525 1.00 0.00 C ATOM 122 CE LYS A 7 0.653 -10.962 10.984 1.00 0.00 C ATOM 123 NZ LYS A 7 0.763 -12.427 11.088 1.00 0.00 N ATOM 0 H LYS A 7 0.467 -9.664 5.492 1.00 0.00 H new ATOM 0 HA LYS A 7 1.575 -8.498 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.038 -11.056 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.786 -10.941 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.203 -11.881 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.764 -10.248 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.457 -9.430 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.183 -10.988 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.489 -10.495 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.258 -10.628 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.469 -12.731 12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.149 -12.873 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.749 -12.714 10.923 1.00 0.00 H new ATOM 137 N VAL A 8 4.006 -8.024 7.217 1.00 0.00 N ATOM 138 CA VAL A 8 5.283 -7.528 6.723 1.00 0.00 C ATOM 139 C VAL A 8 6.013 -8.630 5.957 1.00 0.00 C ATOM 140 O VAL A 8 6.197 -9.735 6.469 1.00 0.00 O ATOM 141 CB VAL A 8 6.129 -6.941 7.861 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.362 -5.811 8.550 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.515 -7.972 8.920 1.00 0.00 C ATOM 0 H VAL A 8 3.879 -7.942 8.226 1.00 0.00 H new ATOM 0 HA VAL A 8 5.100 -6.710 6.026 1.00 0.00 H new ATOM 0 HB VAL A 8 7.046 -6.575 7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.968 -5.399 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.141 -5.027 7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.430 -6.201 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.112 -7.491 9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.613 -8.392 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.096 -8.769 8.457 1.00 0.00 H new ATOM 153 N GLY A 9 6.429 -8.330 4.723 1.00 0.00 N ATOM 154 CA GLY A 9 7.133 -9.281 3.877 1.00 0.00 C ATOM 155 C GLY A 9 6.316 -9.719 2.658 1.00 0.00 C ATOM 156 O GLY A 9 6.834 -10.457 1.823 1.00 0.00 O ATOM 0 H GLY A 9 6.284 -7.419 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.068 -8.835 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.394 -10.160 4.467 1.00 0.00 H new ATOM 160 N GLU A 10 5.055 -9.286 2.541 1.00 0.00 N ATOM 161 CA GLU A 10 4.197 -9.676 1.424 1.00 0.00 C ATOM 162 C GLU A 10 3.915 -8.491 0.496 1.00 0.00 C ATOM 163 O GLU A 10 4.469 -7.408 0.685 1.00 0.00 O ATOM 164 CB GLU A 10 2.902 -10.297 1.960 1.00 0.00 C ATOM 165 CG GLU A 10 3.178 -11.549 2.798 1.00 0.00 C ATOM 166 CD GLU A 10 3.875 -12.645 1.990 1.00 0.00 C ATOM 167 OE1 GLU A 10 3.434 -12.893 0.844 1.00 0.00 O ATOM 168 OE2 GLU A 10 4.846 -13.227 2.522 1.00 0.00 O ATOM 0 H GLU A 10 4.607 -8.662 3.212 1.00 0.00 H new ATOM 0 HA GLU A 10 4.717 -10.424 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.370 -9.563 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.249 -10.554 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.798 -11.282 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.238 -11.934 3.193 1.00 0.00 H new ATOM 175 N SER A 11 3.053 -8.681 -0.511 1.00 0.00 N ATOM 176 CA SER A 11 2.831 -7.685 -1.553 1.00 0.00 C ATOM 177 C SER A 11 1.362 -7.566 -1.961 1.00 0.00 C ATOM 178 O SER A 11 0.521 -8.368 -1.558 1.00 0.00 O ATOM 179 CB SER A 11 3.673 -8.058 -2.777 1.00 0.00 C ATOM 180 OG SER A 11 5.046 -8.074 -2.442 1.00 0.00 O ATOM 0 H SER A 11 2.495 -9.527 -0.621 1.00 0.00 H new ATOM 0 HA SER A 11 3.126 -6.716 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.371 -9.037 -3.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.496 -7.343 -3.580 1.00 0.00 H new ATOM 0 HG SER A 11 5.573 -8.315 -3.232 1.00 0.00 H new ATOM 186 N ILE A 12 1.074 -6.546 -2.780 1.00 0.00 N ATOM 187 CA ILE A 12 -0.246 -6.200 -3.306 1.00 0.00 C ATOM 188 C ILE A 12 -0.044 -5.677 -4.734 1.00 0.00 C ATOM 189 O ILE A 12 1.085 -5.368 -5.110 1.00 0.00 O ATOM 190 CB ILE A 12 -0.897 -5.144 -2.389 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.080 -5.723 -0.981 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.249 -4.661 -2.925 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.757 -4.744 -0.018 1.00 0.00 C ATOM 0 H ILE A 12 1.798 -5.907 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.914 -7.061 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.229 -4.283 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.675 -6.634 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.106 -6.005 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.666 -3.919 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.111 -4.214 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.932 -5.507 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.859 -5.210 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.151 -3.842 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.744 -4.482 -0.400 1.00 0.00 H new ATOM 205 N ASN A 13 -1.105 -5.575 -5.541 1.00 0.00 N ATOM 206 CA ASN A 13 -0.991 -5.163 -6.936 1.00 0.00 C ATOM 207 C ASN A 13 -2.072 -4.168 -7.349 1.00 0.00 C ATOM 208 O ASN A 13 -3.162 -4.133 -6.777 1.00 0.00 O ATOM 209 CB ASN A 13 -1.068 -6.405 -7.822 1.00 0.00 C ATOM 210 CG ASN A 13 0.275 -7.117 -7.874 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.489 -8.107 -7.184 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.190 -6.613 -8.700 1.00 0.00 N ATOM 0 H ASN A 13 -2.060 -5.775 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.034 -4.656 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.830 -7.084 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.373 -6.120 -8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.107 -7.053 -8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.974 -5.787 -9.258 1.00 0.00 H new ATOM 219 N ILE A 14 -1.752 -3.353 -8.358 1.00 0.00 N ATOM 220 CA ILE A 14 -2.639 -2.328 -8.897 1.00 0.00 C ATOM 221 C ILE A 14 -2.444 -2.270 -10.410 1.00 0.00 C ATOM 222 O ILE A 14 -1.324 -2.415 -10.909 1.00 0.00 O ATOM 223 CB ILE A 14 -2.313 -0.964 -8.261 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.406 -1.038 -6.730 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.274 0.102 -8.803 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.068 0.293 -6.060 1.00 0.00 C ATOM 0 H ILE A 14 -0.849 -3.391 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.677 -2.570 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.291 -0.692 -8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.414 -1.340 -6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.727 -1.808 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.041 1.066 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.166 0.173 -9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.300 -0.175 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.149 0.187 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.050 0.584 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.763 1.059 -6.402 1.00 0.00 H new ATOM 238 N GLY A 15 -3.539 -2.057 -11.147 1.00 0.00 N ATOM 239 CA GLY A 15 -3.506 -2.025 -12.597 1.00 0.00 C ATOM 240 C GLY A 15 -2.872 -3.298 -13.147 1.00 0.00 C ATOM 241 O GLY A 15 -3.104 -4.392 -12.630 1.00 0.00 O ATOM 0 H GLY A 15 -4.465 -1.903 -10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.518 -1.918 -12.987 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.941 -1.156 -12.934 1.00 0.00 H new ATOM 245 N ASP A 16 -2.070 -3.147 -14.200 1.00 0.00 N ATOM 246 CA ASP A 16 -1.331 -4.248 -14.802 1.00 0.00 C ATOM 247 C ASP A 16 0.143 -3.865 -14.971 1.00 0.00 C ATOM 248 O ASP A 16 0.898 -4.563 -15.648 1.00 0.00 O ATOM 249 CB ASP A 16 -1.990 -4.672 -16.120 1.00 0.00 C ATOM 250 CG ASP A 16 -1.948 -3.582 -17.190 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.568 -2.516 -16.965 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.295 -3.824 -18.230 1.00 0.00 O ATOM 0 H ASP A 16 -1.916 -2.250 -14.660 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.360 -5.114 -14.141 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.490 -5.564 -16.499 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.028 -4.945 -15.929 1.00 0.00 H new ATOM 257 N ASP A 17 0.552 -2.749 -14.355 1.00 0.00 N ATOM 258 CA ASP A 17 1.916 -2.242 -14.427 1.00 0.00 C ATOM 259 C ASP A 17 2.414 -1.756 -13.063 1.00 0.00 C ATOM 260 O ASP A 17 3.491 -1.160 -12.998 1.00 0.00 O ATOM 261 CB ASP A 17 1.997 -1.095 -15.443 1.00 0.00 C ATOM 262 CG ASP A 17 1.694 -1.550 -16.868 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.529 -2.301 -17.422 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.631 -1.148 -17.386 1.00 0.00 O ATOM 0 H ASP A 17 -0.067 -2.170 -13.787 1.00 0.00 H new ATOM 0 HA ASP A 17 2.556 -3.064 -14.746 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.294 -0.312 -15.158 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.994 -0.655 -15.410 1.00 0.00 H new ATOM 269 N ILE A 18 1.673 -1.990 -11.975 1.00 0.00 N ATOM 270 CA ILE A 18 2.097 -1.525 -10.661 1.00 0.00 C ATOM 271 C ILE A 18 2.016 -2.652 -9.633 1.00 0.00 C ATOM 272 O ILE A 18 1.152 -3.525 -9.701 1.00 0.00 O ATOM 273 CB ILE A 18 1.255 -0.312 -10.214 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.338 0.855 -11.210 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.748 0.194 -8.854 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.224 0.783 -12.256 1.00 0.00 C ATOM 0 H ILE A 18 0.786 -2.494 -11.982 1.00 0.00 H new ATOM 0 HA ILE A 18 3.138 -1.208 -10.732 1.00 0.00 H new ATOM 0 HB ILE A 18 0.221 -0.652 -10.157 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.271 1.800 -10.671 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.307 0.841 -11.708 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.149 1.050 -8.545 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.653 -0.601 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.793 0.493 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.315 1.624 -12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.307 -0.151 -12.813 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.745 0.824 -11.759 1.00 0.00 H new ATOM 288 N THR A 19 2.942 -2.618 -8.671 1.00 0.00 N ATOM 289 CA THR A 19 3.003 -3.556 -7.561 1.00 0.00 C ATOM 290 C THR A 19 3.360 -2.778 -6.300 1.00 0.00 C ATOM 291 O THR A 19 3.974 -1.713 -6.376 1.00 0.00 O ATOM 292 CB THR A 19 4.056 -4.632 -7.855 1.00 0.00 C ATOM 293 OG1 THR A 19 3.789 -5.241 -9.098 1.00 0.00 O ATOM 294 CG2 THR A 19 4.071 -5.716 -6.778 1.00 0.00 C ATOM 0 H THR A 19 3.685 -1.919 -8.647 1.00 0.00 H new ATOM 0 HA THR A 19 2.042 -4.052 -7.422 1.00 0.00 H new ATOM 0 HB THR A 19 5.028 -4.138 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.466 -5.926 -9.279 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.830 -6.460 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.301 -5.266 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.094 -6.196 -6.731 1.00 0.00 H new ATOM 302 N ILE A 20 2.974 -3.312 -5.140 1.00 0.00 N ATOM 303 CA ILE A 20 3.168 -2.675 -3.846 1.00 0.00 C ATOM 304 C ILE A 20 3.710 -3.726 -2.883 1.00 0.00 C ATOM 305 O ILE A 20 3.400 -4.908 -3.020 1.00 0.00 O ATOM 306 CB ILE A 20 1.820 -2.129 -3.340 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.165 -1.161 -4.332 1.00 0.00 C ATOM 308 CG2 ILE A 20 1.988 -1.449 -1.978 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.948 0.145 -4.494 1.00 0.00 C ATOM 0 H ILE A 20 2.509 -4.218 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 20 3.870 -1.845 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 20 1.156 -2.987 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.076 -1.648 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.153 -0.933 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.024 -1.070 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.369 -2.171 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.691 -0.621 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.436 0.790 -5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.015 0.651 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.951 -0.075 -4.858 1.00 0.00 H new ATOM 321 N THR A 21 4.519 -3.310 -1.909 1.00 0.00 N ATOM 322 CA THR A 21 5.124 -4.226 -0.954 1.00 0.00 C ATOM 323 C THR A 21 5.160 -3.578 0.426 1.00 0.00 C ATOM 324 O THR A 21 5.237 -2.355 0.540 1.00 0.00 O ATOM 325 CB THR A 21 6.540 -4.575 -1.423 1.00 0.00 C ATOM 326 OG1 THR A 21 6.489 -5.120 -2.720 1.00 0.00 O ATOM 327 CG2 THR A 21 7.211 -5.600 -0.513 1.00 0.00 C ATOM 0 H THR A 21 4.770 -2.332 -1.764 1.00 0.00 H new ATOM 0 HA THR A 21 4.535 -5.141 -0.890 1.00 0.00 H new ATOM 0 HB THR A 21 7.119 -3.652 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.081 -6.010 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.212 -5.816 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.278 -5.200 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.622 -6.517 -0.502 1.00 0.00 H new ATOM 335 N ILE A 22 5.107 -4.403 1.472 1.00 0.00 N ATOM 336 CA ILE A 22 5.148 -3.949 2.855 1.00 0.00 C ATOM 337 C ILE A 22 6.469 -4.392 3.474 1.00 0.00 C ATOM 338 O ILE A 22 6.586 -5.487 4.021 1.00 0.00 O ATOM 339 CB ILE A 22 3.901 -4.419 3.617 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.001 -4.140 5.120 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.628 -5.911 3.426 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.259 -2.664 5.405 1.00 0.00 C ATOM 0 H ILE A 22 5.034 -5.416 1.378 1.00 0.00 H new ATOM 0 HA ILE A 22 5.117 -2.861 2.912 1.00 0.00 H new ATOM 0 HB ILE A 22 3.077 -3.844 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.077 -4.449 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.805 -4.739 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.736 -6.192 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.473 -6.120 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.480 -6.486 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.323 -2.507 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.196 -2.362 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.442 -2.067 5.000 1.00 0.00 H new ATOM 354 N LEU A 23 7.475 -3.520 3.373 1.00 0.00 N ATOM 355 CA LEU A 23 8.821 -3.821 3.830 1.00 0.00 C ATOM 356 C LEU A 23 8.864 -3.984 5.348 1.00 0.00 C ATOM 357 O LEU A 23 9.685 -4.743 5.856 1.00 0.00 O ATOM 358 CB LEU A 23 9.764 -2.696 3.390 1.00 0.00 C ATOM 359 CG LEU A 23 9.621 -2.327 1.908 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.587 -1.200 1.567 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.931 -3.509 0.996 1.00 0.00 C ATOM 0 H LEU A 23 7.373 -2.588 2.971 1.00 0.00 H new ATOM 0 HA LEU A 23 9.141 -4.764 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.571 -1.812 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.793 -2.998 3.584 1.00 0.00 H new ATOM 0 HG LEU A 23 8.587 -2.021 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.484 -0.939 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.360 -0.328 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.609 -1.525 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.818 -3.205 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.955 -3.842 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.242 -4.326 1.212 1.00 0.00 H new ATOM 373 N GLY A 24 7.989 -3.280 6.077 1.00 0.00 N ATOM 374 CA GLY A 24 7.887 -3.468 7.520 1.00 0.00 C ATOM 375 C GLY A 24 7.285 -2.269 8.242 1.00 0.00 C ATOM 376 O GLY A 24 6.793 -1.342 7.601 1.00 0.00 O ATOM 0 H GLY A 24 7.350 -2.584 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.278 -4.349 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.879 -3.667 7.925 1.00 0.00 H new ATOM 380 N VAL A 25 7.326 -2.287 9.578 1.00 0.00 N ATOM 381 CA VAL A 25 6.830 -1.185 10.395 1.00 0.00 C ATOM 382 C VAL A 25 7.817 -0.862 11.515 1.00 0.00 C ATOM 383 O VAL A 25 8.703 -1.660 11.820 1.00 0.00 O ATOM 384 CB VAL A 25 5.437 -1.503 10.981 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.521 -2.151 9.938 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.528 -2.418 12.204 1.00 0.00 C ATOM 0 H VAL A 25 7.704 -3.065 10.118 1.00 0.00 H new ATOM 0 HA VAL A 25 6.732 -0.311 9.751 1.00 0.00 H new ATOM 0 HB VAL A 25 5.011 -0.548 11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.550 -2.360 10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.392 -1.472 9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.968 -3.082 9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.526 -2.617 12.585 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.002 -3.358 11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.121 -1.932 12.979 1.00 0.00 H new ATOM 396 N SER A 26 7.657 0.310 12.131 1.00 0.00 N ATOM 397 CA SER A 26 8.467 0.739 13.263 1.00 0.00 C ATOM 398 C SER A 26 7.645 1.721 14.088 1.00 0.00 C ATOM 399 O SER A 26 7.411 2.848 13.649 1.00 0.00 O ATOM 400 CB SER A 26 9.752 1.392 12.752 1.00 0.00 C ATOM 401 OG SER A 26 10.526 1.851 13.838 1.00 0.00 O ATOM 0 H SER A 26 6.953 0.993 11.852 1.00 0.00 H new ATOM 0 HA SER A 26 8.746 -0.111 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.325 0.675 12.164 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.509 2.224 12.091 1.00 0.00 H new ATOM 0 HG SER A 26 11.348 2.266 13.502 1.00 0.00 H new ATOM 407 N GLY A 27 7.205 1.308 15.277 1.00 0.00 N ATOM 408 CA GLY A 27 6.294 2.118 16.070 1.00 0.00 C ATOM 409 C GLY A 27 4.961 2.232 15.354 1.00 0.00 C ATOM 410 O GLY A 27 4.135 1.327 15.442 1.00 0.00 O ATOM 0 H GLY A 27 7.466 0.420 15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.153 1.669 17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.718 3.109 16.231 1.00 0.00 H new ATOM 414 N GLN A 28 4.757 3.342 14.641 1.00 0.00 N ATOM 415 CA GLN A 28 3.588 3.547 13.797 1.00 0.00 C ATOM 416 C GLN A 28 4.011 3.912 12.381 1.00 0.00 C ATOM 417 O GLN A 28 3.153 4.185 11.539 1.00 0.00 O ATOM 418 CB GLN A 28 2.686 4.643 14.365 1.00 0.00 C ATOM 419 CG GLN A 28 1.930 4.247 15.628 1.00 0.00 C ATOM 420 CD GLN A 28 0.962 3.083 15.410 1.00 0.00 C ATOM 421 OE1 GLN A 28 -0.239 3.287 15.266 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.464 1.852 15.380 1.00 0.00 N ATOM 0 H GLN A 28 5.407 4.128 14.636 1.00 0.00 H new ATOM 0 HA GLN A 28 3.026 2.613 13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.294 5.521 14.581 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.965 4.935 13.601 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.647 3.975 16.403 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.374 5.109 15.997 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.466 1.707 15.502 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.847 1.053 15.235 1.00 0.00 H new ATOM 431 N GLN A 29 5.322 3.919 12.106 1.00 0.00 N ATOM 432 CA GLN A 29 5.804 4.070 10.747 1.00 0.00 C ATOM 433 C GLN A 29 5.574 2.775 9.989 1.00 0.00 C ATOM 434 O GLN A 29 5.405 1.712 10.588 1.00 0.00 O ATOM 435 CB GLN A 29 7.297 4.384 10.694 1.00 0.00 C ATOM 436 CG GLN A 29 7.576 5.868 10.885 1.00 0.00 C ATOM 437 CD GLN A 29 8.979 6.182 10.401 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.160 6.824 9.372 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.985 5.731 11.139 1.00 0.00 N ATOM 0 H GLN A 29 6.055 3.822 12.808 1.00 0.00 H new ATOM 0 HA GLN A 29 5.258 4.901 10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.814 3.816 11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.702 4.060 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.847 6.461 10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.473 6.136 11.936 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.796 5.200 11.989 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.948 5.915 10.856 1.00 0.00 H new ATOM 448 N VAL A 30 5.579 2.878 8.665 1.00 0.00 N ATOM 449 CA VAL A 30 5.449 1.744 7.781 1.00 0.00 C ATOM 450 C VAL A 30 6.350 1.998 6.588 1.00 0.00 C ATOM 451 O VAL A 30 6.147 2.978 5.870 1.00 0.00 O ATOM 452 CB VAL A 30 3.986 1.603 7.334 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.837 0.356 6.472 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.037 1.480 8.527 1.00 0.00 C ATOM 0 H VAL A 30 5.675 3.768 8.176 1.00 0.00 H new ATOM 0 HA VAL A 30 5.737 0.819 8.281 1.00 0.00 H new ATOM 0 HB VAL A 30 3.726 2.500 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.799 0.255 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.478 0.441 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.127 -0.522 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.012 1.382 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.302 0.600 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.120 2.370 9.151 1.00 0.00 H new ATOM 464 N ARG A 31 7.342 1.128 6.368 1.00 0.00 N ATOM 465 CA ARG A 31 8.126 1.175 5.145 1.00 0.00 C ATOM 466 C ARG A 31 7.318 0.460 4.077 1.00 0.00 C ATOM 467 O ARG A 31 7.018 -0.730 4.221 1.00 0.00 O ATOM 468 CB ARG A 31 9.471 0.464 5.281 1.00 0.00 C ATOM 469 CG ARG A 31 10.549 1.341 5.913 1.00 0.00 C ATOM 470 CD ARG A 31 11.932 0.862 5.468 1.00 0.00 C ATOM 471 NE ARG A 31 12.216 -0.521 5.871 1.00 0.00 N ATOM 472 CZ ARG A 31 13.286 -1.202 5.451 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.181 -0.640 4.642 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.466 -2.461 5.841 1.00 0.00 N ATOM 0 H ARG A 31 7.614 0.392 7.019 1.00 0.00 H new ATOM 0 HA ARG A 31 8.332 2.217 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.341 -0.434 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.806 0.140 4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.403 2.381 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.472 1.301 7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.007 0.941 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.692 1.521 5.889 1.00 0.00 H new ATOM 0 HE ARG A 31 11.564 -0.985 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.055 0.324 4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.993 -1.173 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.788 -2.905 6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.282 -2.982 5.521 1.00 0.00 H new ATOM 488 N ILE A 32 6.976 1.192 3.023 1.00 0.00 N ATOM 489 CA ILE A 32 6.204 0.670 1.912 1.00 0.00 C ATOM 490 C ILE A 32 7.054 0.798 0.657 1.00 0.00 C ATOM 491 O ILE A 32 7.744 1.798 0.473 1.00 0.00 O ATOM 492 CB ILE A 32 4.896 1.461 1.752 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.226 1.674 3.116 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.967 0.727 0.778 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.858 2.341 2.989 1.00 0.00 C ATOM 0 H ILE A 32 7.232 2.174 2.919 1.00 0.00 H new ATOM 0 HA ILE A 32 5.943 -0.373 2.089 1.00 0.00 H new ATOM 0 HB ILE A 32 5.117 2.446 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.115 0.713 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.871 2.289 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.040 1.289 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.456 0.636 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.744 -0.267 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.423 2.471 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.971 3.314 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.202 1.714 2.384 1.00 0.00 H new ATOM 507 N GLY A 33 7.003 -0.219 -0.203 1.00 0.00 N ATOM 508 CA GLY A 33 7.741 -0.227 -1.455 1.00 0.00 C ATOM 509 C GLY A 33 6.751 -0.184 -2.604 1.00 0.00 C ATOM 510 O GLY A 33 5.635 -0.695 -2.488 1.00 0.00 O ATOM 0 H GLY A 33 6.446 -1.059 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.413 0.630 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.360 -1.122 -1.523 1.00 0.00 H new ATOM 514 N ILE A 34 7.154 0.429 -3.716 1.00 0.00 N ATOM 515 CA ILE A 34 6.307 0.521 -4.887 1.00 0.00 C ATOM 516 C ILE A 34 7.155 0.180 -6.100 1.00 0.00 C ATOM 517 O ILE A 34 8.337 0.515 -6.149 1.00 0.00 O ATOM 518 CB ILE A 34 5.708 1.931 -4.987 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.938 2.258 -3.697 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.795 2.012 -6.215 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.359 3.670 -3.703 1.00 0.00 C ATOM 0 H ILE A 34 8.068 0.869 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 34 5.473 -0.178 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 34 6.504 2.667 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.130 1.538 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.604 2.146 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.369 3.013 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.374 1.799 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.991 1.282 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.826 3.849 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.167 4.394 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.670 3.777 -4.541 1.00 0.00 H new ATOM 533 N ASN A 35 6.552 -0.489 -7.083 1.00 0.00 N ATOM 534 CA ASN A 35 7.256 -0.919 -8.274 1.00 0.00 C ATOM 535 C ASN A 35 6.382 -0.631 -9.486 1.00 0.00 C ATOM 536 O ASN A 35 5.419 -1.349 -9.754 1.00 0.00 O ATOM 537 CB ASN A 35 7.607 -2.400 -8.145 1.00 0.00 C ATOM 538 CG ASN A 35 8.563 -2.866 -9.231 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.945 -2.095 -10.111 1.00 0.00 O ATOM 540 ND2 ASN A 35 8.955 -4.133 -9.177 1.00 0.00 N ATOM 0 H ASN A 35 5.564 -0.744 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 35 8.192 -0.374 -8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.056 -2.580 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.693 -2.992 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.596 -4.499 -9.881 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.616 -4.740 -8.431 1.00 0.00 H new ATOM 547 N ALA A 36 6.741 0.430 -10.206 1.00 0.00 N ATOM 548 CA ALA A 36 6.015 0.890 -11.372 1.00 0.00 C ATOM 549 C ALA A 36 7.009 1.426 -12.403 1.00 0.00 C ATOM 550 O ALA A 36 8.113 1.832 -12.027 1.00 0.00 O ATOM 551 CB ALA A 36 5.043 1.988 -10.927 1.00 0.00 C ATOM 0 H ALA A 36 7.559 0.999 -9.986 1.00 0.00 H new ATOM 0 HA ALA A 36 5.453 0.076 -11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.484 2.351 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.350 1.583 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.603 2.812 -10.485 1.00 0.00 H new ATOM 557 N PRO A 37 6.653 1.441 -13.695 1.00 0.00 N ATOM 558 CA PRO A 37 7.506 1.975 -14.741 1.00 0.00 C ATOM 559 C PRO A 37 7.575 3.494 -14.634 1.00 0.00 C ATOM 560 O PRO A 37 6.631 4.126 -14.160 1.00 0.00 O ATOM 561 CB PRO A 37 6.834 1.548 -16.044 1.00 0.00 C ATOM 562 CG PRO A 37 5.356 1.457 -15.674 1.00 0.00 C ATOM 563 CD PRO A 37 5.401 0.942 -14.237 1.00 0.00 C ATOM 0 HA PRO A 37 8.531 1.611 -14.676 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.004 2.274 -16.839 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.218 0.591 -16.398 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.861 2.426 -15.742 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.815 0.776 -16.331 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.550 1.305 -13.661 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.365 -0.147 -14.207 1.00 0.00 H new ATOM 571 N LYS A 38 8.684 4.093 -15.073 1.00 0.00 N ATOM 572 CA LYS A 38 8.813 5.546 -15.094 1.00 0.00 C ATOM 573 C LYS A 38 7.817 6.156 -16.084 1.00 0.00 C ATOM 574 O LYS A 38 7.701 7.375 -16.183 1.00 0.00 O ATOM 575 CB LYS A 38 10.260 5.933 -15.428 1.00 0.00 C ATOM 576 CG LYS A 38 11.207 5.547 -14.285 1.00 0.00 C ATOM 577 CD LYS A 38 11.076 6.468 -13.063 1.00 0.00 C ATOM 578 CE LYS A 38 12.062 7.636 -13.122 1.00 0.00 C ATOM 579 NZ LYS A 38 11.808 8.524 -14.268 1.00 0.00 N ATOM 0 H LYS A 38 9.503 3.592 -15.418 1.00 0.00 H new ATOM 0 HA LYS A 38 8.576 5.947 -14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.571 5.436 -16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.321 7.006 -15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.004 4.520 -13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.235 5.575 -14.646 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.058 6.854 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.249 5.892 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.997 8.211 -12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.079 7.248 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.304 9.427 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.153 8.074 -15.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.786 8.700 -14.351 1.00 0.00 H new ATOM 593 N ASP A 39 7.098 5.299 -16.816 1.00 0.00 N ATOM 594 CA ASP A 39 5.995 5.683 -17.683 1.00 0.00 C ATOM 595 C ASP A 39 4.803 6.206 -16.873 1.00 0.00 C ATOM 596 O ASP A 39 3.848 6.721 -17.451 1.00 0.00 O ATOM 597 CB ASP A 39 5.582 4.468 -18.515 1.00 0.00 C ATOM 598 CG ASP A 39 6.656 4.101 -19.538 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.657 4.724 -20.624 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.468 3.202 -19.224 1.00 0.00 O ATOM 0 H ASP A 39 7.277 4.295 -16.817 1.00 0.00 H new ATOM 0 HA ASP A 39 6.321 6.492 -18.337 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.400 3.619 -17.856 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.645 4.679 -19.029 1.00 0.00 H new ATOM 605 N VAL A 40 4.854 6.077 -15.541 1.00 0.00 N ATOM 606 CA VAL A 40 3.821 6.583 -14.643 1.00 0.00 C ATOM 607 C VAL A 40 4.477 7.215 -13.420 1.00 0.00 C ATOM 608 O VAL A 40 5.645 6.952 -13.130 1.00 0.00 O ATOM 609 CB VAL A 40 2.840 5.472 -14.228 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.223 4.795 -15.454 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.507 4.394 -13.372 1.00 0.00 C ATOM 0 H VAL A 40 5.623 5.613 -15.057 1.00 0.00 H new ATOM 0 HA VAL A 40 3.241 7.340 -15.171 1.00 0.00 H new ATOM 0 HB VAL A 40 2.066 5.963 -13.638 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.534 4.015 -15.131 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.682 5.535 -16.044 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.013 4.353 -16.062 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.772 3.634 -13.106 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.318 3.933 -13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.906 4.846 -12.464 1.00 0.00 H new ATOM 621 N ALA A 41 3.726 8.049 -12.699 1.00 0.00 N ATOM 622 CA ALA A 41 4.263 8.777 -11.559 1.00 0.00 C ATOM 623 C ALA A 41 3.844 8.139 -10.242 1.00 0.00 C ATOM 624 O ALA A 41 2.838 7.434 -10.175 1.00 0.00 O ATOM 625 CB ALA A 41 3.768 10.220 -11.637 1.00 0.00 C ATOM 0 H ALA A 41 2.741 8.234 -12.889 1.00 0.00 H new ATOM 0 HA ALA A 41 5.352 8.749 -11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.159 10.785 -10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.113 10.673 -12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.678 10.233 -11.609 1.00 0.00 H new ATOM 631 N VAL A 42 4.622 8.396 -9.187 1.00 0.00 N ATOM 632 CA VAL A 42 4.301 7.955 -7.835 1.00 0.00 C ATOM 633 C VAL A 42 4.945 8.908 -6.833 1.00 0.00 C ATOM 634 O VAL A 42 6.125 9.228 -6.958 1.00 0.00 O ATOM 635 CB VAL A 42 4.766 6.503 -7.636 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.209 6.279 -8.089 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.661 6.065 -6.179 1.00 0.00 C ATOM 0 H VAL A 42 5.496 8.919 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 42 3.223 7.975 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 42 4.097 5.906 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.484 5.237 -7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.298 6.516 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.875 6.924 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.000 5.033 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.284 6.710 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.624 6.138 -5.851 1.00 0.00 H new ATOM 647 N HIS A 43 4.180 9.370 -5.836 1.00 0.00 N ATOM 648 CA HIS A 43 4.674 10.345 -4.870 1.00 0.00 C ATOM 649 C HIS A 43 3.889 10.305 -3.565 1.00 0.00 C ATOM 650 O HIS A 43 2.809 9.716 -3.500 1.00 0.00 O ATOM 651 CB HIS A 43 4.489 11.761 -5.424 1.00 0.00 C ATOM 652 CG HIS A 43 5.096 11.991 -6.778 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.429 12.330 -7.022 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.422 11.906 -7.960 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.524 12.441 -8.354 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.339 12.194 -8.943 1.00 0.00 N ATOM 0 H HIS A 43 3.214 9.080 -5.681 1.00 0.00 H new ATOM 0 HA HIS A 43 5.720 10.098 -4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.422 11.979 -5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.924 12.471 -4.721 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.170 12.464 -6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.379 11.662 -8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.430 12.695 -8.884 1.00 0.00 H new ATOM 664 N ARG A 44 4.435 10.926 -2.518 1.00 0.00 N ATOM 665 CA ARG A 44 3.714 11.150 -1.274 1.00 0.00 C ATOM 666 C ARG A 44 2.550 12.097 -1.565 1.00 0.00 C ATOM 667 O ARG A 44 2.617 12.873 -2.514 1.00 0.00 O ATOM 668 CB ARG A 44 4.676 11.750 -0.241 1.00 0.00 C ATOM 669 CG ARG A 44 5.817 10.772 0.057 1.00 0.00 C ATOM 670 CD ARG A 44 6.900 11.430 0.914 1.00 0.00 C ATOM 671 NE ARG A 44 6.378 11.838 2.224 1.00 0.00 N ATOM 672 CZ ARG A 44 6.345 13.096 2.668 1.00 0.00 C ATOM 673 NH1 ARG A 44 6.820 14.099 1.938 1.00 0.00 N ATOM 674 NH2 ARG A 44 5.827 13.357 3.862 1.00 0.00 N ATOM 0 H ARG A 44 5.389 11.286 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 44 3.321 10.217 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.082 12.690 -0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.136 11.980 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.423 9.896 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.253 10.422 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.728 10.735 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.298 12.301 0.393 1.00 0.00 H new ATOM 0 HE ARG A 44 6.015 11.109 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.220 13.915 1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.784 15.053 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.457 12.598 4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.799 14.316 4.207 1.00 0.00 H new ATOM 688 N GLU A 45 1.480 12.047 -0.770 1.00 0.00 N ATOM 689 CA GLU A 45 0.294 12.853 -1.041 1.00 0.00 C ATOM 690 C GLU A 45 0.578 14.356 -0.944 1.00 0.00 C ATOM 691 O GLU A 45 -0.137 15.154 -1.550 1.00 0.00 O ATOM 692 CB GLU A 45 -0.814 12.399 -0.086 1.00 0.00 C ATOM 693 CG GLU A 45 -2.161 13.068 -0.363 1.00 0.00 C ATOM 694 CD GLU A 45 -2.350 14.401 0.365 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.479 14.767 1.185 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.382 15.053 0.091 1.00 0.00 O ATOM 0 H GLU A 45 1.412 11.460 0.061 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.030 12.697 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.930 11.318 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.512 12.615 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.260 13.233 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.961 12.388 -0.070 1.00 0.00 H new ATOM 703 N GLU A 46 1.612 14.758 -0.194 1.00 0.00 N ATOM 704 CA GLU A 46 1.984 16.166 -0.091 1.00 0.00 C ATOM 705 C GLU A 46 2.968 16.574 -1.191 1.00 0.00 C ATOM 706 O GLU A 46 3.259 17.760 -1.342 1.00 0.00 O ATOM 707 CB GLU A 46 2.554 16.463 1.298 1.00 0.00 C ATOM 708 CG GLU A 46 3.853 15.700 1.564 1.00 0.00 C ATOM 709 CD GLU A 46 4.415 16.032 2.947 1.00 0.00 C ATOM 710 OE1 GLU A 46 3.638 15.955 3.924 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.619 16.359 3.019 1.00 0.00 O ATOM 0 H GLU A 46 2.202 14.126 0.348 1.00 0.00 H new ATOM 0 HA GLU A 46 1.083 16.763 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.737 17.533 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.817 16.198 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.670 14.628 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.588 15.951 0.800 1.00 0.00 H new ATOM 718 N ILE A 47 3.477 15.605 -1.957 1.00 0.00 N ATOM 719 CA ILE A 47 4.387 15.855 -3.065 1.00 0.00 C ATOM 720 C ILE A 47 3.633 15.747 -4.384 1.00 0.00 C ATOM 721 O ILE A 47 3.925 16.487 -5.316 1.00 0.00 O ATOM 722 CB ILE A 47 5.549 14.857 -2.999 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.390 15.095 -1.741 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.437 14.968 -4.241 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.933 16.526 -1.634 1.00 0.00 C ATOM 0 H ILE A 47 3.263 14.617 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 47 4.796 16.863 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 47 5.125 13.853 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.784 14.877 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.226 14.395 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.254 14.250 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.845 14.757 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.845 15.976 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.519 16.625 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.565 16.741 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.101 17.230 -1.610 1.00 0.00 H new ATOM 737 N TYR A 48 2.662 14.834 -4.475 1.00 0.00 N ATOM 738 CA TYR A 48 1.873 14.665 -5.683 1.00 0.00 C ATOM 739 C TYR A 48 1.231 15.988 -6.097 1.00 0.00 C ATOM 740 O TYR A 48 1.228 16.333 -7.277 1.00 0.00 O ATOM 741 CB TYR A 48 0.795 13.616 -5.432 1.00 0.00 C ATOM 742 CG TYR A 48 -0.302 13.627 -6.469 1.00 0.00 C ATOM 743 CD1 TYR A 48 0.007 13.698 -7.836 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.638 13.577 -6.050 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.024 13.747 -8.787 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.670 13.607 -6.996 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.369 13.698 -8.371 1.00 0.00 C ATOM 748 OH TYR A 48 -3.373 13.738 -9.292 1.00 0.00 O ATOM 0 H TYR A 48 2.408 14.200 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 48 2.525 14.336 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.256 12.629 -5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.357 13.783 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.038 13.715 -8.156 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.872 13.515 -4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.786 13.822 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.699 13.560 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.239 13.693 -8.835 1.00 0.00 H new ATOM 758 N GLN A 49 0.687 16.733 -5.130 1.00 0.00 N ATOM 759 CA GLN A 49 0.023 17.995 -5.410 1.00 0.00 C ATOM 760 C GLN A 49 1.004 19.017 -5.974 1.00 0.00 C ATOM 761 O GLN A 49 0.587 19.983 -6.617 1.00 0.00 O ATOM 762 CB GLN A 49 -0.611 18.539 -4.126 1.00 0.00 C ATOM 763 CG GLN A 49 -1.681 17.588 -3.592 1.00 0.00 C ATOM 764 CD GLN A 49 -2.244 18.102 -2.273 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.963 19.099 -2.234 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.920 17.431 -1.175 1.00 0.00 N ATOM 0 H GLN A 49 0.698 16.476 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.752 17.818 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.160 18.684 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.054 19.516 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.484 17.488 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.255 16.595 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.322 16.607 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.269 17.739 -0.267 1.00 0.00 H new ATOM 775 N ARG A 50 2.304 18.810 -5.746 1.00 0.00 N ATOM 776 CA ARG A 50 3.331 19.735 -6.198 1.00 0.00 C ATOM 777 C ARG A 50 3.732 19.451 -7.640 1.00 0.00 C ATOM 778 O ARG A 50 4.002 20.390 -8.383 1.00 0.00 O ATOM 779 CB ARG A 50 4.534 19.634 -5.261 1.00 0.00 C ATOM 780 CG ARG A 50 5.565 20.705 -5.612 1.00 0.00 C ATOM 781 CD ARG A 50 6.703 20.641 -4.602 1.00 0.00 C ATOM 782 NE ARG A 50 6.275 21.134 -3.288 1.00 0.00 N ATOM 783 CZ ARG A 50 6.811 20.755 -2.122 1.00 0.00 C ATOM 784 NH1 ARG A 50 7.824 19.897 -2.079 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.334 21.241 -0.980 1.00 0.00 N ATOM 0 H ARG A 50 2.666 17.999 -5.245 1.00 0.00 H new ATOM 0 HA ARG A 50 2.937 20.751 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.210 19.755 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.985 18.645 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.946 20.546 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.103 21.692 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.054 19.613 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.544 21.235 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 50 5.515 21.814 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.206 19.515 -2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.220 19.620 -1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.559 21.904 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.743 20.951 -0.092 1.00 0.00 H new ATOM 799 N ILE A 51 3.771 18.180 -8.055 1.00 0.00 N ATOM 800 CA ILE A 51 4.065 17.856 -9.447 1.00 0.00 C ATOM 801 C ILE A 51 2.985 18.466 -10.348 1.00 0.00 C ATOM 802 O ILE A 51 3.181 18.628 -11.551 1.00 0.00 O ATOM 803 CB ILE A 51 4.203 16.335 -9.647 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.538 15.821 -9.097 1.00 0.00 C ATOM 805 CG2 ILE A 51 4.192 15.959 -11.129 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.579 15.782 -7.576 1.00 0.00 C ATOM 0 H ILE A 51 3.605 17.373 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 51 5.026 18.289 -9.725 1.00 0.00 H new ATOM 0 HB ILE A 51 3.357 15.891 -9.122 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.723 14.820 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.344 16.458 -9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.291 14.878 -11.231 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.253 16.281 -11.579 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.024 16.449 -11.635 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.549 15.409 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.424 16.786 -7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.793 15.122 -7.208 1.00 0.00 H new ATOM 1635 N MET C 1 11.838 0.100 -7.725 1.00 0.00 N ATOM 1636 CA MET C 1 11.442 0.163 -6.305 1.00 0.00 C ATOM 1637 C MET C 1 11.600 1.569 -5.759 1.00 0.00 C ATOM 1638 O MET C 1 12.692 2.124 -5.802 1.00 0.00 O ATOM 1639 CB MET C 1 12.289 -0.790 -5.457 1.00 0.00 C ATOM 1640 CG MET C 1 12.007 -0.603 -3.964 1.00 0.00 C ATOM 1641 SD MET C 1 10.331 -1.053 -3.451 1.00 0.00 S ATOM 1642 CE MET C 1 10.617 -2.828 -3.250 1.00 0.00 C ATOM 0 H1 MET C 1 11.721 -0.872 -8.075 1.00 0.00 H new ATOM 0 H2 MET C 1 11.239 0.743 -8.281 1.00 0.00 H new ATOM 0 H3 MET C 1 12.834 0.385 -7.821 1.00 0.00 H new ATOM 0 HA MET C 1 10.395 -0.134 -6.250 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.078 -1.820 -5.743 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.346 -0.614 -5.655 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.720 -1.201 -3.396 1.00 0.00 H new ATOM 0 HG3 MET C 1 12.185 0.440 -3.702 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.694 -3.311 -2.931 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.940 -3.254 -4.200 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.390 -2.989 -2.498 1.00 0.00 H new ATOM 1654 N LEU C 2 10.514 2.141 -5.240 1.00 0.00 N ATOM 1655 CA LEU C 2 10.533 3.452 -4.612 1.00 0.00 C ATOM 1656 C LEU C 2 9.915 3.286 -3.224 1.00 0.00 C ATOM 1657 O LEU C 2 8.712 3.052 -3.099 1.00 0.00 O ATOM 1658 CB LEU C 2 9.770 4.432 -5.512 1.00 0.00 C ATOM 1659 CG LEU C 2 9.869 5.913 -5.116 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.594 6.333 -4.406 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.042 6.259 -4.202 1.00 0.00 C ATOM 0 H LEU C 2 9.594 1.701 -5.246 1.00 0.00 H new ATOM 0 HA LEU C 2 11.537 3.860 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.138 4.322 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.718 4.146 -5.520 1.00 0.00 H new ATOM 0 HG LEU C 2 10.026 6.447 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.663 7.384 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.743 6.191 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.459 5.726 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.027 7.326 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.960 5.693 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU C 2 11.978 6.006 -4.700 1.00 0.00 H new ATOM 1673 N ILE C 3 10.746 3.401 -2.183 1.00 0.00 N ATOM 1674 CA ILE C 3 10.311 3.269 -0.806 1.00 0.00 C ATOM 1675 C ILE C 3 9.811 4.616 -0.305 1.00 0.00 C ATOM 1676 O ILE C 3 10.341 5.660 -0.683 1.00 0.00 O ATOM 1677 CB ILE C 3 11.453 2.788 0.108 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.879 1.353 -0.202 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.970 2.804 1.560 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.958 1.303 -1.275 1.00 0.00 C ATOM 0 H ILE C 3 11.744 3.589 -2.282 1.00 0.00 H new ATOM 0 HA ILE C 3 9.514 2.527 -0.776 1.00 0.00 H new ATOM 0 HB ILE C 3 12.298 3.456 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.248 0.879 0.707 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.012 0.780 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.773 2.465 2.214 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.681 3.818 1.836 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.111 2.141 1.665 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.233 0.266 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.580 1.753 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.835 1.854 -0.935 1.00 0.00 H new ATOM 1692 N LEU C 4 8.787 4.577 0.549 1.00 0.00 N ATOM 1693 CA LEU C 4 8.262 5.743 1.238 1.00 0.00 C ATOM 1694 C LEU C 4 7.851 5.304 2.640 1.00 0.00 C ATOM 1695 O LEU C 4 7.214 4.262 2.801 1.00 0.00 O ATOM 1696 CB LEU C 4 7.047 6.287 0.480 1.00 0.00 C ATOM 1697 CG LEU C 4 7.393 6.847 -0.905 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.109 7.245 -1.630 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.285 8.083 -0.800 1.00 0.00 C ATOM 0 H LEU C 4 8.294 3.715 0.781 1.00 0.00 H new ATOM 0 HA LEU C 4 9.013 6.531 1.292 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.312 5.490 0.368 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.579 7.072 1.074 1.00 0.00 H new ATOM 0 HG LEU C 4 7.925 6.070 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.355 7.643 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.468 6.370 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.586 8.006 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.511 8.454 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.768 8.858 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.213 7.820 -0.292 1.00 0.00 H new ATOM 1711 N THR C 5 8.209 6.092 3.650 1.00 0.00 N ATOM 1712 CA THR C 5 7.790 5.827 5.022 1.00 0.00 C ATOM 1713 C THR C 5 6.567 6.670 5.324 1.00 0.00 C ATOM 1714 O THR C 5 6.431 7.778 4.807 1.00 0.00 O ATOM 1715 CB THR C 5 8.893 6.190 6.019 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.362 7.498 5.782 1.00 0.00 O ATOM 1717 CG2 THR C 5 10.066 5.224 5.924 1.00 0.00 C ATOM 0 H THR C 5 8.791 6.923 3.543 1.00 0.00 H new ATOM 0 HA THR C 5 7.571 4.764 5.120 1.00 0.00 H new ATOM 0 HB THR C 5 8.460 6.126 7.017 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.065 7.715 6.429 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.832 5.510 6.645 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.723 4.212 6.141 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.484 5.257 4.918 1.00 0.00 H new ATOM 1725 N ARG C 6 5.663 6.156 6.158 1.00 0.00 N ATOM 1726 CA ARG C 6 4.529 6.948 6.599 1.00 0.00 C ATOM 1727 C ARG C 6 4.008 6.473 7.948 1.00 0.00 C ATOM 1728 O ARG C 6 4.307 5.358 8.362 1.00 0.00 O ATOM 1729 CB ARG C 6 3.437 6.883 5.535 1.00 0.00 C ATOM 1730 CG ARG C 6 3.106 8.311 5.112 1.00 0.00 C ATOM 1731 CD ARG C 6 2.314 8.309 3.812 1.00 0.00 C ATOM 1732 NE ARG C 6 1.034 7.599 3.933 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.811 6.340 3.552 1.00 0.00 C ATOM 1734 NH1 ARG C 6 1.800 5.543 3.170 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -0.428 5.865 3.552 1.00 0.00 N ATOM 0 H ARG C 6 5.697 5.208 6.534 1.00 0.00 H new ATOM 0 HA ARG C 6 4.847 7.982 6.731 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.774 6.300 4.678 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.550 6.387 5.929 1.00 0.00 H new ATOM 0 HG2 ARG C 6 2.531 8.805 5.895 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.026 8.882 4.984 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.127 9.337 3.503 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.911 7.844 3.028 1.00 0.00 H new ATOM 0 HE ARG C 6 0.252 8.110 4.342 1.00 0.00 H new ATOM 0 HH11 ARG C 6 2.760 5.889 3.163 1.00 0.00 H new ATOM 0 HH12 ARG C 6 1.601 4.584 2.884 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -1.203 6.462 3.842 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -0.606 4.903 3.262 1.00 0.00 H new ATOM 1749 N LYS C 7 3.236 7.330 8.621 1.00 0.00 N ATOM 1750 CA LYS C 7 2.679 7.041 9.940 1.00 0.00 C ATOM 1751 C LYS C 7 1.206 6.690 9.758 1.00 0.00 C ATOM 1752 O LYS C 7 0.584 7.158 8.800 1.00 0.00 O ATOM 1753 CB LYS C 7 2.837 8.270 10.848 1.00 0.00 C ATOM 1754 CG LYS C 7 3.464 7.968 12.215 1.00 0.00 C ATOM 1755 CD LYS C 7 4.933 7.540 12.106 1.00 0.00 C ATOM 1756 CE LYS C 7 5.562 7.415 13.493 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.642 8.724 14.170 1.00 0.00 N ATOM 0 H LYS C 7 2.980 8.249 8.261 1.00 0.00 H new ATOM 0 HA LYS C 7 3.202 6.207 10.408 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.451 9.010 10.335 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.857 8.722 11.003 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.393 8.853 12.847 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.894 7.179 12.706 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.001 6.586 11.583 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.487 8.269 11.514 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.974 6.726 14.099 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.561 6.989 13.404 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.340 8.675 14.939 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.932 9.452 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.711 8.969 14.563 1.00 0.00 H new ATOM 1771 N VAL C 8 0.630 5.883 10.653 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.774 5.512 10.489 1.00 0.00 C ATOM 1773 C VAL C 8 -1.653 6.763 10.409 1.00 0.00 C ATOM 1774 O VAL C 8 -1.538 7.664 11.241 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.246 4.536 11.570 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.347 3.304 11.586 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.263 5.140 12.972 1.00 0.00 C ATOM 0 H VAL C 8 1.095 5.487 11.470 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.871 4.977 9.544 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.272 4.275 11.312 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.689 2.614 12.358 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.388 2.811 10.615 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.679 3.605 11.797 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.608 4.392 13.686 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.257 5.463 13.241 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.936 5.997 12.991 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.534 6.816 9.406 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.450 7.932 9.197 1.00 0.00 C ATOM 1789 C GLY C 9 -3.103 8.793 7.978 1.00 0.00 C ATOM 1790 O GLY C 9 -3.887 9.676 7.623 1.00 0.00 O ATOM 0 H GLY C 9 -2.629 6.076 8.711 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.462 7.543 9.080 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.451 8.561 10.087 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.950 8.565 7.333 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.503 9.383 6.205 1.00 0.00 C ATOM 1796 C GLU C 10 -1.810 8.734 4.849 1.00 0.00 C ATOM 1797 O GLU C 10 -2.384 7.648 4.788 1.00 0.00 O ATOM 1798 CB GLU C 10 0.000 9.633 6.350 1.00 0.00 C ATOM 1799 CG GLU C 10 0.327 10.429 7.616 1.00 0.00 C ATOM 1800 CD GLU C 10 -0.365 11.791 7.628 1.00 0.00 C ATOM 1801 OE1 GLU C 10 -0.254 12.512 6.609 1.00 0.00 O ATOM 1802 OE2 GLU C 10 -1.002 12.105 8.661 1.00 0.00 O ATOM 0 H GLU C 10 -1.307 7.812 7.579 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.051 10.325 6.226 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.526 8.679 6.375 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.364 10.174 5.477 1.00 0.00 H new ATOM 0 HG2 GLU C 10 0.020 9.858 8.493 1.00 0.00 H new ATOM 0 HG3 GLU C 10 1.406 10.569 7.688 1.00 0.00 H new ATOM 1809 N SER C 11 -1.423 9.396 3.745 1.00 0.00 N ATOM 1810 CA SER C 11 -1.737 8.922 2.398 1.00 0.00 C ATOM 1811 C SER C 11 -0.579 9.100 1.410 1.00 0.00 C ATOM 1812 O SER C 11 0.385 9.812 1.684 1.00 0.00 O ATOM 1813 CB SER C 11 -2.967 9.680 1.878 1.00 0.00 C ATOM 1814 OG SER C 11 -4.058 9.524 2.765 1.00 0.00 O ATOM 0 H SER C 11 -0.890 10.265 3.766 1.00 0.00 H new ATOM 0 HA SER C 11 -1.931 7.852 2.469 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.729 10.738 1.767 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.239 9.309 0.890 1.00 0.00 H new ATOM 0 HG SER C 11 -4.833 10.014 2.420 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.692 8.432 0.253 1.00 0.00 N ATOM 1821 CA ILE C 12 0.284 8.418 -0.839 1.00 0.00 C ATOM 1822 C ILE C 12 -0.489 8.368 -2.164 1.00 0.00 C ATOM 1823 O ILE C 12 -1.685 8.080 -2.167 1.00 0.00 O ATOM 1824 CB ILE C 12 1.230 7.214 -0.657 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.212 7.548 0.477 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.014 6.854 -1.922 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.265 6.460 0.716 1.00 0.00 C ATOM 0 H ILE C 12 -1.510 7.858 0.046 1.00 0.00 H new ATOM 0 HA ILE C 12 0.904 9.314 -0.839 1.00 0.00 H new ATOM 0 HB ILE C 12 0.617 6.344 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.717 8.486 0.245 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.651 7.707 1.398 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.658 5.999 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.318 6.603 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.625 7.704 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.923 6.763 1.530 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.769 5.526 0.979 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.852 6.316 -0.191 1.00 0.00 H new ATOM 1839 N ASN C 13 0.174 8.645 -3.291 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.477 8.709 -4.594 1.00 0.00 C ATOM 1841 C ASN C 13 0.315 7.982 -5.675 1.00 0.00 C ATOM 1842 O ASN C 13 1.535 7.847 -5.597 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.661 10.178 -4.983 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.913 10.750 -4.338 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.837 11.492 -3.365 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.075 10.408 -4.882 1.00 0.00 N ATOM 0 H ASN C 13 1.177 8.830 -3.321 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.442 8.208 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.210 10.754 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.731 10.267 -6.067 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.946 10.765 -4.490 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.096 9.788 -5.692 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.412 7.512 -6.692 1.00 0.00 N ATOM 1854 CA ILE C 14 0.133 6.801 -7.839 1.00 0.00 C ATOM 1855 C ILE C 14 -0.643 7.238 -9.079 1.00 0.00 C ATOM 1856 O ILE C 14 -1.854 7.461 -9.011 1.00 0.00 O ATOM 1857 CB ILE C 14 0.001 5.283 -7.631 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.692 4.854 -6.326 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.613 4.535 -8.819 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.550 3.356 -6.055 1.00 0.00 C ATOM 0 H ILE C 14 -1.425 7.622 -6.736 1.00 0.00 H new ATOM 0 HA ILE C 14 1.191 7.033 -7.960 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.058 5.034 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.750 5.112 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.267 5.413 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.515 3.461 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.092 4.817 -9.734 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.668 4.794 -8.907 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.055 3.105 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.506 3.099 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE C 14 1.000 2.794 -6.874 1.00 0.00 H new ATOM 1872 N GLY C 15 0.055 7.359 -10.213 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.552 7.833 -11.442 1.00 0.00 C ATOM 1874 C GLY C 15 -1.226 9.184 -11.209 1.00 0.00 C ATOM 1875 O GLY C 15 -0.702 10.034 -10.489 1.00 0.00 O ATOM 0 H GLY C 15 1.046 7.132 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.207 7.926 -12.219 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.285 7.109 -11.797 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.396 9.367 -11.823 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.210 10.561 -11.658 1.00 0.00 C ATOM 1881 C ASP C 16 -4.652 10.175 -11.335 1.00 0.00 C ATOM 1882 O ASP C 16 -5.542 11.026 -11.350 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.101 11.457 -12.896 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.680 10.811 -14.155 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.143 9.758 -14.569 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.656 11.379 -14.695 1.00 0.00 O ATOM 0 H ASP C 16 -2.805 8.679 -12.455 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.838 11.142 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.620 12.396 -12.705 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -2.053 11.702 -13.069 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.886 8.888 -11.041 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.211 8.357 -10.734 1.00 0.00 C ATOM 1893 C ASP C 17 -6.180 7.382 -9.551 1.00 0.00 C ATOM 1894 O ASP C 17 -7.189 6.731 -9.291 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.788 7.658 -11.969 1.00 0.00 C ATOM 1896 CG ASP C 17 -7.040 8.627 -13.118 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.899 9.522 -12.946 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.372 8.466 -14.166 1.00 0.00 O ATOM 0 H ASP C 17 -4.149 8.183 -11.011 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.846 9.197 -10.452 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.100 6.879 -12.298 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.722 7.165 -11.701 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.056 7.267 -8.831 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.974 6.335 -7.712 1.00 0.00 C ATOM 1905 C ILE C 18 -4.418 7.029 -6.472 1.00 0.00 C ATOM 1906 O ILE C 18 -3.578 7.926 -6.561 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.130 5.099 -8.082 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.677 4.360 -9.311 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.122 4.114 -6.911 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.067 4.887 -10.614 1.00 0.00 C ATOM 0 H ILE C 18 -4.205 7.802 -9.004 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.982 5.991 -7.483 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.127 5.460 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.467 3.295 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.761 4.469 -9.348 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.525 3.241 -7.174 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.692 4.596 -6.033 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.143 3.802 -6.691 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.482 4.337 -11.459 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.299 5.946 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.985 4.753 -10.590 1.00 0.00 H new ATOM 1922 N THR C 19 -4.901 6.594 -5.305 1.00 0.00 N ATOM 1923 CA THR C 19 -4.469 7.086 -4.006 1.00 0.00 C ATOM 1924 C THR C 19 -4.363 5.893 -3.055 1.00 0.00 C ATOM 1925 O THR C 19 -5.021 4.874 -3.264 1.00 0.00 O ATOM 1926 CB THR C 19 -5.471 8.117 -3.478 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.704 9.112 -4.451 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.971 8.799 -2.207 1.00 0.00 C ATOM 0 H THR C 19 -5.620 5.873 -5.242 1.00 0.00 H new ATOM 0 HA THR C 19 -3.499 7.576 -4.087 1.00 0.00 H new ATOM 0 HB THR C 19 -6.391 7.578 -3.251 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.347 9.765 -4.104 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.712 9.522 -1.867 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.812 8.050 -1.431 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.032 9.312 -2.415 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.538 6.025 -2.016 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.255 4.967 -1.055 1.00 0.00 C ATOM 1938 C ILE C 20 -3.344 5.561 0.350 1.00 0.00 C ATOM 1939 O ILE C 20 -3.052 6.739 0.540 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.849 4.408 -1.316 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.663 3.910 -2.758 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.525 3.278 -0.333 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.516 2.685 -3.081 1.00 0.00 C ATOM 0 H ILE C 20 -3.038 6.892 -1.818 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.974 4.153 -1.152 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.156 5.236 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.915 4.714 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.613 3.668 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.524 2.896 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.569 3.660 0.687 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.251 2.474 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.341 2.381 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.247 1.868 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.570 2.930 -2.949 1.00 0.00 H new ATOM 1955 N THR C 21 -3.743 4.748 1.333 1.00 0.00 N ATOM 1956 CA THR C 21 -3.899 5.204 2.707 1.00 0.00 C ATOM 1957 C THR C 21 -3.395 4.128 3.668 1.00 0.00 C ATOM 1958 O THR C 21 -3.428 2.943 3.342 1.00 0.00 O ATOM 1959 CB THR C 21 -5.382 5.505 2.976 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.900 6.332 1.956 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.574 6.218 4.314 1.00 0.00 C ATOM 0 H THR C 21 -3.964 3.762 1.194 1.00 0.00 H new ATOM 0 HA THR C 21 -3.316 6.112 2.861 1.00 0.00 H new ATOM 0 HB THR C 21 -5.908 4.551 3.001 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.846 6.518 2.134 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.634 6.416 4.472 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.198 5.587 5.120 1.00 0.00 H new ATOM 0 HG23 THR C 21 -5.027 7.161 4.306 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.929 4.535 4.850 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.439 3.621 5.875 1.00 0.00 C ATOM 1971 C ILE C 22 -3.399 3.656 7.058 1.00 0.00 C ATOM 1972 O ILE C 22 -3.207 4.406 8.015 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.973 3.919 6.232 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.466 3.034 7.372 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.732 5.372 6.647 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.661 1.552 7.080 1.00 0.00 C ATOM 0 H ILE C 22 -2.882 5.517 5.122 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.423 2.596 5.504 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.428 3.711 5.311 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.592 3.233 7.541 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.990 3.293 8.292 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.322 5.512 6.885 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -1.011 6.035 5.828 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.336 5.605 7.524 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.286 0.964 7.918 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.722 1.346 6.938 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.115 1.284 6.175 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.448 2.835 6.983 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.507 2.824 7.977 1.00 0.00 C ATOM 1990 C LEU C 23 -4.971 2.430 9.350 1.00 0.00 C ATOM 1991 O LEU C 23 -5.525 2.854 10.364 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.609 1.850 7.546 1.00 0.00 C ATOM 1993 CG LEU C 23 -7.059 2.047 6.096 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.196 1.080 5.787 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.564 3.466 5.854 1.00 0.00 C ATOM 0 H LEU C 23 -4.581 2.161 6.229 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.918 3.831 8.052 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.251 0.828 7.672 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.469 1.970 8.205 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.199 1.863 5.452 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.520 1.217 4.755 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.850 0.056 5.926 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -9.032 1.275 6.458 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.875 3.569 4.814 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.413 3.667 6.508 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.766 4.177 6.066 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.901 1.630 9.398 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.258 1.308 10.666 1.00 0.00 C ATOM 2009 C GLY C 24 -2.507 -0.015 10.625 1.00 0.00 C ATOM 2010 O GLY C 24 -2.312 -0.591 9.555 1.00 0.00 O ATOM 0 H GLY C 24 -3.469 1.200 8.580 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.565 2.107 10.930 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -4.013 1.268 11.452 1.00 0.00 H new ATOM 2014 N VAL C 25 -2.088 -0.493 11.802 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.421 -1.785 11.937 1.00 0.00 C ATOM 2016 C VAL C 25 -2.086 -2.604 13.040 1.00 0.00 C ATOM 2017 O VAL C 25 -2.829 -2.071 13.862 1.00 0.00 O ATOM 2018 CB VAL C 25 0.088 -1.617 12.212 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.715 -0.606 11.253 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.344 -1.166 13.648 1.00 0.00 C ATOM 0 H VAL C 25 -2.203 0.007 12.684 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.521 -2.319 10.992 1.00 0.00 H new ATOM 0 HB VAL C 25 0.548 -2.593 12.057 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.779 -0.509 11.471 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.585 -0.949 10.227 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.229 0.362 11.376 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.416 -1.057 13.809 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.148 -0.209 13.822 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -0.053 -1.909 14.339 1.00 0.00 H new ATOM 2030 N SER C 26 -1.816 -3.911 13.050 1.00 0.00 N ATOM 2031 CA SER C 26 -2.351 -4.829 14.047 1.00 0.00 C ATOM 2032 C SER C 26 -1.372 -5.987 14.189 1.00 0.00 C ATOM 2033 O SER C 26 -1.484 -6.995 13.495 1.00 0.00 O ATOM 2034 CB SER C 26 -3.730 -5.314 13.612 1.00 0.00 C ATOM 2035 OG SER C 26 -4.271 -6.169 14.600 1.00 0.00 O ATOM 0 H SER C 26 -1.215 -4.361 12.360 1.00 0.00 H new ATOM 0 HA SER C 26 -2.468 -4.335 15.012 1.00 0.00 H new ATOM 0 HB2 SER C 26 -4.392 -4.462 13.453 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.657 -5.842 12.661 1.00 0.00 H new ATOM 0 HG SER C 26 -5.157 -6.477 14.317 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.401 -5.840 15.091 1.00 0.00 N ATOM 2042 CA GLY C 27 0.697 -6.779 15.166 1.00 0.00 C ATOM 2043 C GLY C 27 1.610 -6.531 13.975 1.00 0.00 C ATOM 2044 O GLY C 27 2.133 -5.428 13.818 1.00 0.00 O ATOM 0 H GLY C 27 -0.360 -5.082 15.772 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.245 -6.651 16.099 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.324 -7.803 15.154 1.00 0.00 H new ATOM 2048 N GLN C 28 1.801 -7.547 13.134 1.00 0.00 N ATOM 2049 CA GLN C 28 2.626 -7.431 11.940 1.00 0.00 C ATOM 2050 C GLN C 28 1.742 -7.223 10.720 1.00 0.00 C ATOM 2051 O GLN C 28 2.246 -7.133 9.600 1.00 0.00 O ATOM 2052 CB GLN C 28 3.517 -8.667 11.804 1.00 0.00 C ATOM 2053 CG GLN C 28 4.860 -8.426 12.495 1.00 0.00 C ATOM 2054 CD GLN C 28 4.691 -7.744 13.852 1.00 0.00 C ATOM 2055 OE1 GLN C 28 4.374 -8.383 14.851 1.00 0.00 O ATOM 2056 NE2 GLN C 28 4.903 -6.430 13.889 1.00 0.00 N ATOM 0 H GLN C 28 1.388 -8.470 13.264 1.00 0.00 H new ATOM 0 HA GLN C 28 3.280 -6.563 12.022 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.022 -9.532 12.246 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.677 -8.895 10.750 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.375 -9.377 12.629 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.491 -7.809 11.855 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.165 -5.932 13.039 1.00 0.00 H new ATOM 0 HE22 GLN C 28 4.803 -5.922 14.768 1.00 0.00 H new ATOM 2065 N GLN C 29 0.425 -7.146 10.925 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.492 -6.800 9.857 1.00 0.00 C ATOM 2067 C GLN C 29 -0.478 -5.296 9.647 1.00 0.00 C ATOM 2068 O GLN C 29 -0.070 -4.533 10.519 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.920 -7.198 10.220 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.149 -8.699 10.113 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.637 -8.970 10.214 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.279 -9.282 9.216 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.195 -8.848 11.415 1.00 0.00 N ATOM 0 H GLN C 29 -0.023 -7.320 11.825 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.176 -7.328 8.957 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.138 -6.872 11.237 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.617 -6.679 9.562 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.760 -9.075 9.167 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.615 -9.221 10.907 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.624 -8.586 12.219 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.194 -9.016 11.533 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.940 -4.882 8.471 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.075 -3.485 8.118 1.00 0.00 C ATOM 2084 C VAL C 30 -2.372 -3.336 7.336 1.00 0.00 C ATOM 2085 O VAL C 30 -2.512 -3.932 6.269 1.00 0.00 O ATOM 2086 CB VAL C 30 0.127 -3.057 7.269 1.00 0.00 C ATOM 2087 CG1 VAL C 30 0.056 -1.565 6.983 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.448 -3.331 7.993 1.00 0.00 C ATOM 0 H VAL C 30 -1.233 -5.521 7.732 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.102 -2.852 9.005 1.00 0.00 H new ATOM 0 HB VAL C 30 0.092 -3.633 6.344 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.914 -1.269 6.379 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.863 -1.342 6.442 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.066 -1.013 7.923 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.280 -3.016 7.363 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.471 -2.775 8.930 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.534 -4.397 8.201 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.321 -2.549 7.854 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.523 -2.226 7.103 1.00 0.00 C ATOM 2100 C ARG C 31 -4.167 -1.116 6.129 1.00 0.00 C ATOM 2101 O ARG C 31 -3.866 0.005 6.541 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.675 -1.756 7.993 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.421 -2.919 8.641 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.851 -2.485 8.973 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.894 -1.371 9.926 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.011 -0.695 10.212 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.168 -1.014 9.635 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.970 0.309 11.085 1.00 0.00 N ATOM 0 H ARG C 31 -3.275 -2.130 8.783 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.864 -3.129 6.597 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.285 -1.099 8.771 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.373 -1.166 7.398 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.437 -3.776 7.967 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.906 -3.236 9.548 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.361 -2.193 8.055 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.398 -3.333 9.386 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.029 -1.099 10.393 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.209 -1.783 8.966 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.013 -0.490 9.862 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -8.089 0.560 11.533 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.820 0.828 11.306 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.205 -1.450 4.842 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.903 -0.519 3.773 1.00 0.00 C ATOM 2124 C ILE C 32 -5.194 -0.261 3.011 1.00 0.00 C ATOM 2125 O ILE C 32 -5.997 -1.176 2.824 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.835 -1.122 2.847 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.686 -1.718 3.676 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.323 -0.033 1.897 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.532 -2.226 2.813 1.00 0.00 C ATOM 0 H ILE C 32 -4.449 -2.385 4.515 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.511 0.418 4.169 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.271 -1.929 2.258 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.312 -0.961 4.366 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.069 -2.539 4.281 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.565 -0.453 1.237 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.152 0.349 1.301 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.888 0.781 2.477 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.249 -2.635 3.454 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.895 -3.004 2.141 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.126 -1.402 2.227 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.395 0.979 2.574 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.569 1.363 1.810 1.00 0.00 C ATOM 2143 C GLY C 33 -6.134 1.829 0.434 1.00 0.00 C ATOM 2144 O GLY C 33 -5.035 2.360 0.276 1.00 0.00 O ATOM 0 H GLY C 33 -4.744 1.746 2.743 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.253 0.519 1.722 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.108 2.159 2.324 1.00 0.00 H new ATOM 2148 N ILE C 34 -6.988 1.629 -0.568 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.692 2.043 -1.926 1.00 0.00 C ATOM 2150 C ILE C 34 -7.932 2.729 -2.483 1.00 0.00 C ATOM 2151 O ILE C 34 -9.056 2.339 -2.163 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.289 0.821 -2.767 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.085 0.113 -2.122 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.950 1.272 -4.192 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.675 -1.150 -2.876 1.00 0.00 C ATOM 0 H ILE C 34 -7.896 1.178 -0.457 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.855 2.740 -1.952 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.120 0.116 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.240 0.801 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.329 -0.146 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.664 0.406 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.822 1.750 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.123 1.981 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.821 -1.610 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.508 -1.852 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.402 -0.891 -3.899 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.723 3.750 -3.312 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.808 4.523 -3.886 1.00 0.00 C ATOM 2169 C ASN C 35 -8.514 4.755 -5.359 1.00 0.00 C ATOM 2170 O ASN C 35 -7.690 5.597 -5.714 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.974 5.825 -3.099 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.242 6.572 -3.484 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.945 6.197 -4.417 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.543 7.644 -2.756 1.00 0.00 N ATOM 0 H ASN C 35 -6.795 4.060 -3.601 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.755 3.988 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.995 5.602 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.110 6.466 -3.274 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.382 8.184 -2.966 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.934 7.926 -1.987 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.206 3.992 -6.203 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.036 4.035 -7.646 1.00 0.00 C ATOM 2183 C ALA C 36 -10.394 3.832 -8.316 1.00 0.00 C ATOM 2184 O ALA C 36 -11.283 3.227 -7.715 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.062 2.917 -8.035 1.00 0.00 C ATOM 0 H ALA C 36 -9.908 3.319 -5.896 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.637 4.996 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.913 2.923 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.106 3.077 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.473 1.954 -7.731 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.572 4.318 -9.549 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.808 4.138 -10.294 1.00 0.00 C ATOM 2193 C PRO C 37 -11.933 2.684 -10.740 1.00 0.00 C ATOM 2194 O PRO C 37 -10.930 2.001 -10.936 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.673 5.065 -11.502 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.164 5.129 -11.733 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.606 5.079 -10.314 1.00 0.00 C ATOM 0 HA PRO C 37 -12.695 4.369 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.196 4.669 -12.372 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.091 6.051 -11.300 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.811 4.293 -12.337 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.872 6.042 -12.251 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.626 4.603 -10.294 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.482 6.082 -9.905 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.169 2.202 -10.906 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.409 0.858 -11.420 1.00 0.00 C ATOM 2207 C LYS C 38 -12.940 0.747 -12.873 1.00 0.00 C ATOM 2208 O LYS C 38 -12.986 -0.334 -13.459 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.893 0.508 -11.267 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.259 0.316 -9.788 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.728 -1.002 -9.199 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.739 -2.143 -9.360 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.023 -2.455 -10.775 1.00 0.00 N ATOM 0 H LYS C 38 -14.017 2.727 -10.690 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.831 0.137 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.504 1.301 -11.697 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -15.115 -0.403 -11.822 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -14.862 1.151 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.344 0.343 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.794 -1.271 -9.693 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.501 -0.863 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -15.356 -3.035 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.668 -1.874 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.454 -3.399 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.678 -1.746 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -15.136 -2.440 -11.319 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.490 1.867 -13.448 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.847 1.919 -14.754 1.00 0.00 C ATOM 2229 C ASP C 39 -10.482 1.221 -14.722 1.00 0.00 C ATOM 2230 O ASP C 39 -9.871 1.019 -15.770 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.686 3.386 -15.160 1.00 0.00 C ATOM 2232 CG ASP C 39 -13.038 4.032 -15.458 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -13.480 3.929 -16.624 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -13.616 4.622 -14.519 1.00 0.00 O ATOM 0 H ASP C 39 -12.567 2.782 -13.003 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.466 1.396 -15.483 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -11.187 3.934 -14.361 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -11.046 3.454 -16.040 1.00 0.00 H new ATOM 2239 N VAL C 40 -10.001 0.850 -13.529 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.743 0.133 -13.351 1.00 0.00 C ATOM 2241 C VAL C 40 -8.919 -0.945 -12.287 1.00 0.00 C ATOM 2242 O VAL C 40 -9.855 -0.887 -11.486 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.601 1.092 -12.975 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.464 2.212 -14.006 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.802 1.733 -11.605 1.00 0.00 C ATOM 0 H VAL C 40 -10.485 1.044 -12.652 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.472 -0.337 -14.296 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.698 0.483 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.649 2.876 -13.716 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.251 1.782 -14.984 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.394 2.778 -14.054 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.967 2.400 -11.390 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.732 2.302 -11.602 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.851 0.955 -10.843 1.00 0.00 H new ATOM 2255 N ALA C 41 -8.022 -1.935 -12.277 1.00 0.00 N ATOM 2256 CA ALA C 41 -8.133 -3.065 -11.365 1.00 0.00 C ATOM 2257 C ALA C 41 -7.179 -2.918 -10.182 1.00 0.00 C ATOM 2258 O ALA C 41 -6.172 -2.216 -10.268 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.832 -4.348 -12.137 1.00 0.00 C ATOM 0 H ALA C 41 -7.211 -1.972 -12.894 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.145 -3.101 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.911 -5.203 -11.466 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.547 -4.458 -12.952 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.822 -4.299 -12.545 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.502 -3.586 -9.073 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.632 -3.651 -7.904 1.00 0.00 C ATOM 2267 C VAL C 42 -6.925 -4.935 -7.139 1.00 0.00 C ATOM 2268 O VAL C 42 -8.086 -5.295 -6.961 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.843 -2.405 -7.031 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.320 -2.136 -6.746 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.134 -2.533 -5.688 1.00 0.00 C ATOM 0 H VAL C 42 -8.378 -4.098 -8.963 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.585 -3.665 -8.208 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.425 -1.578 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.414 -1.245 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.850 -1.981 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.751 -2.990 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.306 -1.633 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.524 -3.398 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.064 -2.660 -5.852 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.877 -5.632 -6.686 1.00 0.00 N ATOM 2282 CA HIS C 43 -6.040 -6.889 -5.967 1.00 0.00 C ATOM 2283 C HIS C 43 -4.851 -7.174 -5.060 1.00 0.00 C ATOM 2284 O HIS C 43 -3.799 -6.547 -5.163 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.133 -8.063 -6.951 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.164 -7.906 -8.030 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.504 -8.278 -7.919 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.934 -7.382 -9.268 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.053 -7.973 -9.106 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.136 -7.434 -9.933 1.00 0.00 N ATOM 0 H HIS C 43 -4.907 -5.341 -6.808 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.951 -6.791 -5.377 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.158 -8.204 -7.418 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.352 -8.971 -6.390 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.967 -8.692 -7.110 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.997 -7.003 -9.649 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.089 -8.137 -9.363 1.00 0.00 H new ATOM 2298 N ARG C 44 -5.037 -8.148 -4.164 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.969 -8.688 -3.344 1.00 0.00 C ATOM 2300 C ARG C 44 -3.051 -9.497 -4.258 1.00 0.00 C ATOM 2301 O ARG C 44 -3.511 -10.038 -5.259 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.636 -9.530 -2.255 1.00 0.00 C ATOM 2303 CG ARG C 44 -3.738 -9.751 -1.042 1.00 0.00 C ATOM 2304 CD ARG C 44 -4.581 -10.258 0.132 1.00 0.00 C ATOM 2305 NE ARG C 44 -5.104 -11.610 -0.098 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.314 -11.901 -0.590 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.169 -10.939 -0.930 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -6.677 -13.169 -0.751 1.00 0.00 N ATOM 0 H ARG C 44 -5.944 -8.582 -3.992 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.356 -7.928 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -5.555 -9.039 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.919 -10.496 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -2.957 -10.473 -1.281 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -3.240 -8.820 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -3.976 -10.255 1.039 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.412 -9.574 0.301 1.00 0.00 H new ATOM 0 HE ARG C 44 -4.494 -12.393 0.137 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -6.906 -9.960 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -8.087 -11.181 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -6.034 -13.920 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.599 -13.392 -1.126 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.760 -9.596 -3.944 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.803 -10.262 -4.832 1.00 0.00 C ATOM 2324 C GLU C 45 -1.134 -11.743 -5.038 1.00 0.00 C ATOM 2325 O GLU C 45 -0.741 -12.327 -6.046 1.00 0.00 O ATOM 2326 CB GLU C 45 0.607 -10.049 -4.276 1.00 0.00 C ATOM 2327 CG GLU C 45 1.707 -10.638 -5.165 1.00 0.00 C ATOM 2328 CD GLU C 45 2.062 -12.090 -4.826 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.415 -12.671 -3.926 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.992 -12.613 -5.481 1.00 0.00 O ATOM 0 H GLU C 45 -1.352 -9.226 -3.086 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.865 -9.818 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.783 -8.980 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.671 -10.499 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.388 -10.585 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.603 -10.024 -5.074 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.857 -12.362 -4.097 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.250 -13.762 -4.212 1.00 0.00 C ATOM 2339 C GLU C 46 -3.553 -13.921 -5.002 1.00 0.00 C ATOM 2340 O GLU C 46 -4.021 -15.039 -5.205 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.366 -14.384 -2.815 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.477 -13.737 -1.988 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.467 -14.244 -0.549 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -3.923 -15.387 -0.332 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -3.004 -13.483 0.332 1.00 0.00 O ATOM 0 H GLU C 46 -2.181 -11.907 -3.244 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.478 -14.292 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.560 -15.452 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.416 -14.278 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.354 -12.654 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.444 -13.951 -2.444 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.137 -12.804 -5.444 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.361 -12.771 -6.237 1.00 0.00 C ATOM 2354 C ILE C 47 -5.082 -12.161 -7.605 1.00 0.00 C ATOM 2355 O ILE C 47 -5.683 -12.574 -8.592 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.420 -11.957 -5.487 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.833 -12.671 -4.194 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.648 -11.711 -6.362 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.344 -14.097 -4.427 1.00 0.00 C ATOM 0 H ILE C 47 -3.759 -11.876 -5.253 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.730 -13.785 -6.388 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.980 -10.993 -5.234 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -5.980 -12.704 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.611 -12.090 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.383 -11.131 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.354 -11.160 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.085 -12.666 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.619 -14.545 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.217 -14.069 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.560 -14.692 -4.895 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.179 -11.185 -7.683 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.847 -10.562 -8.951 1.00 0.00 C ATOM 2373 C TYR C 48 -3.386 -11.609 -9.962 1.00 0.00 C ATOM 2374 O TYR C 48 -3.722 -11.518 -11.143 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.745 -9.533 -8.721 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.104 -9.079 -10.008 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.894 -8.563 -11.048 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.719 -9.179 -10.162 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.302 -8.173 -12.256 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.115 -8.779 -11.359 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.905 -8.280 -12.414 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.317 -7.898 -13.581 1.00 0.00 O ATOM 0 H TYR C 48 -3.668 -10.813 -6.882 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.733 -10.072 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.161 -8.670 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.983 -9.961 -8.070 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.962 -8.467 -10.916 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.114 -9.566 -9.356 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.912 -7.792 -13.062 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.956 -8.853 -11.474 1.00 0.00 H new ATOM 0 HH TYR C 48 0.651 -8.037 -13.520 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.620 -12.603 -9.510 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.116 -13.645 -10.388 1.00 0.00 C ATOM 2394 C GLN C 49 -3.260 -14.492 -10.945 1.00 0.00 C ATOM 2395 O GLN C 49 -3.094 -15.150 -11.973 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.137 -14.535 -9.620 1.00 0.00 C ATOM 2397 CG GLN C 49 0.067 -13.735 -9.131 1.00 0.00 C ATOM 2398 CD GLN C 49 0.993 -14.617 -8.303 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.678 -15.489 -8.835 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.022 -14.405 -6.993 1.00 0.00 N ATOM 0 H GLN C 49 -2.337 -12.703 -8.535 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.602 -13.173 -11.225 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.645 -14.990 -8.769 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -0.800 -15.349 -10.262 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.610 -13.327 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.270 -12.889 -8.532 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.442 -13.674 -6.582 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.624 -14.973 -6.398 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.418 -14.481 -10.275 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.567 -15.267 -10.693 1.00 0.00 C ATOM 2411 C ARG C 50 -6.380 -14.539 -11.755 1.00 0.00 C ATOM 2412 O ARG C 50 -6.891 -15.178 -12.672 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.421 -15.583 -9.463 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.612 -16.448 -9.863 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.378 -16.841 -8.605 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.633 -17.821 -7.802 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.651 -17.884 -6.468 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.366 -17.021 -5.749 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -6.950 -18.820 -5.839 1.00 0.00 N ATOM 0 H ARG C 50 -4.577 -13.928 -9.433 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.222 -16.197 -11.144 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -5.820 -16.101 -8.716 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.771 -14.658 -9.005 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.263 -15.902 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.271 -17.339 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.574 -15.952 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.346 -17.258 -8.883 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.060 -18.503 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -8.912 -16.297 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.368 -17.084 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.398 -19.490 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -6.963 -18.869 -4.820 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.507 -13.213 -11.651 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.202 -12.435 -12.674 1.00 0.00 C ATOM 2435 C ILE C 51 -6.425 -12.530 -13.994 1.00 0.00 C ATOM 2436 O ILE C 51 -6.960 -12.222 -15.058 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.448 -10.986 -12.204 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.559 -10.939 -11.143 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.945 -10.107 -13.356 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.098 -11.431 -9.777 1.00 0.00 C ATOM 0 H ILE C 51 -6.140 -12.662 -10.875 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.194 -12.851 -12.848 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.496 -10.627 -11.811 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.923 -9.916 -11.051 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.399 -11.547 -11.478 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.110 -9.092 -12.994 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.199 -10.093 -14.151 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.881 -10.510 -13.744 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.926 -11.374 -9.071 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.761 -12.464 -9.857 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.277 -10.808 -9.424 1.00 0.00 H new