USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 30 ASN : amide:sc= -1.42! K(o=-1.2!,f=1.2) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0.217 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -24:sc= 1.5 USER MOD Single : A 20 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.015) USER MOD Single : A 22 MET CE :methyl -135:sc= -0.312 (180deg=-1.07) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 138:sc= -0.499 (180deg=-2.56!) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc=-0.00583 (180deg=-0.0687) USER MOD Single : A 47 SER OG : rot -60:sc= 0.259 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0994 (180deg=-0.385) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc=-0.00744 (180deg=-0.183) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.751 3.427 -0.987 1.00 70.02 N ATOM 21 CA ARG A 2 -11.384 2.864 -1.037 1.00 51.14 C ATOM 22 C ARG A 2 -10.587 3.577 -2.142 1.00 12.24 C ATOM 23 O ARG A 2 -11.157 4.003 -3.153 1.00 11.51 O ATOM 24 CB ARG A 2 -11.378 1.316 -1.317 1.00 30.53 C ATOM 25 CG ARG A 2 -11.935 0.409 -0.186 1.00 32.23 C ATOM 26 CD ARG A 2 -13.470 0.354 -0.113 1.00 5.43 C ATOM 27 NE ARG A 2 -14.068 -0.256 -1.319 1.00 3.43 N ATOM 28 CZ ARG A 2 -14.780 -1.403 -1.350 1.00 12.44 C ATOM 29 NH1 ARG A 2 -15.005 -2.105 -0.241 1.00 64.42 N ATOM 30 NH2 ARG A 2 -15.280 -1.832 -2.500 1.00 60.53 N ATOM 0 HA ARG A 2 -10.929 3.022 -0.059 1.00 51.14 H new ATOM 0 HB2 ARG A 2 -11.958 1.130 -2.221 1.00 30.53 H new ATOM 0 HB3 ARG A 2 -10.353 1.010 -1.527 1.00 30.53 H new ATOM 0 HG2 ARG A 2 -11.554 -0.602 -0.327 1.00 32.23 H new ATOM 0 HG3 ARG A 2 -11.551 0.764 0.770 1.00 32.23 H new ATOM 0 HD2 ARG A 2 -13.769 -0.216 0.766 1.00 5.43 H new ATOM 0 HD3 ARG A 2 -13.862 1.363 0.013 1.00 5.43 H new ATOM 0 HE ARG A 2 -13.931 0.231 -2.204 1.00 3.43 H new ATOM 0 HH11 ARG A 2 -14.637 -1.779 0.653 1.00 64.42 H new ATOM 0 HH12 ARG A 2 -15.545 -2.969 -0.285 1.00 64.42 H new ATOM 0 HH21 ARG A 2 -15.126 -1.297 -3.354 1.00 60.53 H new ATOM 0 HH22 ARG A 2 -15.819 -2.698 -2.531 1.00 60.53 H new ATOM 44 N ILE A 3 -9.269 3.711 -1.926 1.00 73.12 N ATOM 45 CA ILE A 3 -8.326 4.189 -2.947 1.00 35.12 C ATOM 46 C ILE A 3 -7.523 2.975 -3.449 1.00 10.33 C ATOM 47 O ILE A 3 -6.972 2.222 -2.643 1.00 43.22 O ATOM 48 CB ILE A 3 -7.352 5.293 -2.378 1.00 71.52 C ATOM 49 CG1 ILE A 3 -8.166 6.466 -1.738 1.00 14.32 C ATOM 50 CG2 ILE A 3 -6.403 5.818 -3.488 1.00 32.43 C ATOM 51 CD1 ILE A 3 -7.327 7.564 -1.107 1.00 40.55 C ATOM 0 H ILE A 3 -8.826 3.490 -1.034 1.00 73.12 H new ATOM 0 HA ILE A 3 -8.882 4.652 -3.762 1.00 35.12 H new ATOM 0 HB ILE A 3 -6.738 4.839 -1.600 1.00 71.52 H new ATOM 0 HG12 ILE A 3 -8.799 6.910 -2.506 1.00 14.32 H new ATOM 0 HG13 ILE A 3 -8.829 6.055 -0.977 1.00 14.32 H new ATOM 0 HG21 ILE A 3 -5.741 6.578 -3.072 1.00 32.43 H new ATOM 0 HG22 ILE A 3 -5.808 4.993 -3.878 1.00 32.43 H new ATOM 0 HG23 ILE A 3 -6.993 6.253 -4.295 1.00 32.43 H new ATOM 0 HD11 ILE A 3 -7.982 8.330 -0.692 1.00 40.55 H new ATOM 0 HD12 ILE A 3 -6.713 7.141 -0.312 1.00 40.55 H new ATOM 0 HD13 ILE A 3 -6.682 8.010 -1.864 1.00 40.55 H new ATOM 63 N LYS A 4 -7.457 2.784 -4.767 1.00 13.41 N ATOM 64 CA LYS A 4 -6.829 1.593 -5.360 1.00 30.01 C ATOM 65 C LYS A 4 -5.321 1.844 -5.578 1.00 72.23 C ATOM 66 O LYS A 4 -4.919 2.838 -6.204 1.00 42.23 O ATOM 67 CB LYS A 4 -7.550 1.212 -6.679 1.00 51.42 C ATOM 68 CG LYS A 4 -7.517 2.292 -7.783 1.00 22.14 C ATOM 69 CD LYS A 4 -8.349 1.900 -9.025 1.00 3.40 C ATOM 70 CE LYS A 4 -9.854 1.764 -8.720 1.00 43.31 C ATOM 71 NZ LYS A 4 -10.639 1.436 -9.944 1.00 30.41 N ATOM 0 H LYS A 4 -7.832 3.441 -5.451 1.00 13.41 H new ATOM 0 HA LYS A 4 -6.927 0.750 -4.677 1.00 30.01 H new ATOM 0 HB2 LYS A 4 -7.098 0.301 -7.071 1.00 51.42 H new ATOM 0 HB3 LYS A 4 -8.590 0.980 -6.451 1.00 51.42 H new ATOM 0 HG2 LYS A 4 -7.895 3.231 -7.379 1.00 22.14 H new ATOM 0 HG3 LYS A 4 -6.484 2.468 -8.083 1.00 22.14 H new ATOM 0 HD2 LYS A 4 -8.207 2.651 -9.803 1.00 3.40 H new ATOM 0 HD3 LYS A 4 -7.977 0.955 -9.422 1.00 3.40 H new ATOM 0 HE2 LYS A 4 -10.004 0.985 -7.972 1.00 43.31 H new ATOM 0 HE3 LYS A 4 -10.223 2.695 -8.290 1.00 43.31 H new ATOM 0 HZ1 LYS A 4 -11.646 1.353 -9.699 1.00 30.41 H new ATOM 0 HZ2 LYS A 4 -10.516 2.191 -10.648 1.00 30.41 H new ATOM 0 HZ3 LYS A 4 -10.304 0.535 -10.340 1.00 30.41 H new ATOM 85 N GLY A 5 -4.496 0.959 -5.004 1.00 34.21 N ATOM 86 CA GLY A 5 -3.040 1.040 -5.108 1.00 44.51 C ATOM 87 C GLY A 5 -2.449 -0.207 -5.727 1.00 62.24 C ATOM 88 O GLY A 5 -2.825 -1.307 -5.350 1.00 75.23 O ATOM 0 H GLY A 5 -4.824 0.166 -4.453 1.00 34.21 H new ATOM 0 HA2 GLY A 5 -2.767 1.908 -5.708 1.00 44.51 H new ATOM 0 HA3 GLY A 5 -2.613 1.191 -4.117 1.00 44.51 H new ATOM 92 N VAL A 6 -1.511 -0.051 -6.663 1.00 74.55 N ATOM 93 CA VAL A 6 -0.873 -1.183 -7.340 1.00 22.21 C ATOM 94 C VAL A 6 0.374 -1.616 -6.571 1.00 61.23 C ATOM 95 O VAL A 6 1.188 -0.772 -6.160 1.00 21.24 O ATOM 96 CB VAL A 6 -0.525 -0.822 -8.832 1.00 1.14 C ATOM 97 CG1 VAL A 6 0.393 -1.872 -9.504 1.00 22.53 C ATOM 98 CG2 VAL A 6 -1.831 -0.657 -9.635 1.00 43.01 C ATOM 0 H VAL A 6 -1.173 0.860 -6.973 1.00 74.55 H new ATOM 0 HA VAL A 6 -1.573 -2.018 -7.360 1.00 22.21 H new ATOM 0 HB VAL A 6 0.031 0.115 -8.824 1.00 1.14 H new ATOM 0 HG11 VAL A 6 0.599 -1.571 -10.531 1.00 22.53 H new ATOM 0 HG12 VAL A 6 1.330 -1.943 -8.951 1.00 22.53 H new ATOM 0 HG13 VAL A 6 -0.103 -2.843 -9.503 1.00 22.53 H new ATOM 0 HG21 VAL A 6 -1.593 -0.407 -10.669 1.00 43.01 H new ATOM 0 HG22 VAL A 6 -2.395 -1.589 -9.608 1.00 43.01 H new ATOM 0 HG23 VAL A 6 -2.429 0.142 -9.197 1.00 43.01 H new ATOM 108 N VAL A 7 0.479 -2.938 -6.363 1.00 43.43 N ATOM 109 CA VAL A 7 1.614 -3.575 -5.701 1.00 62.43 C ATOM 110 C VAL A 7 2.868 -3.426 -6.577 1.00 0.21 C ATOM 111 O VAL A 7 2.998 -4.112 -7.605 1.00 14.44 O ATOM 112 CB VAL A 7 1.328 -5.102 -5.451 1.00 71.14 C ATOM 113 CG1 VAL A 7 2.504 -5.783 -4.723 1.00 61.05 C ATOM 114 CG2 VAL A 7 -0.004 -5.310 -4.691 1.00 52.14 C ATOM 0 H VAL A 7 -0.238 -3.600 -6.658 1.00 43.43 H new ATOM 0 HA VAL A 7 1.773 -3.088 -4.739 1.00 62.43 H new ATOM 0 HB VAL A 7 1.226 -5.580 -6.425 1.00 71.14 H new ATOM 0 HG11 VAL A 7 2.274 -6.837 -4.566 1.00 61.05 H new ATOM 0 HG12 VAL A 7 3.406 -5.695 -5.328 1.00 61.05 H new ATOM 0 HG13 VAL A 7 2.665 -5.299 -3.759 1.00 61.05 H new ATOM 0 HG21 VAL A 7 -0.171 -6.376 -4.535 1.00 52.14 H new ATOM 0 HG22 VAL A 7 0.045 -4.805 -3.726 1.00 52.14 H new ATOM 0 HG23 VAL A 7 -0.825 -4.896 -5.276 1.00 52.14 H new ATOM 124 N LEU A 8 3.749 -2.495 -6.193 1.00 3.14 N ATOM 125 CA LEU A 8 5.025 -2.275 -6.890 1.00 12.45 C ATOM 126 C LEU A 8 6.040 -3.358 -6.474 1.00 75.42 C ATOM 127 O LEU A 8 6.562 -4.087 -7.322 1.00 34.22 O ATOM 128 CB LEU A 8 5.582 -0.861 -6.588 1.00 53.23 C ATOM 129 CG LEU A 8 4.680 0.352 -6.991 1.00 32.33 C ATOM 130 CD1 LEU A 8 5.397 1.696 -6.714 1.00 45.44 C ATOM 131 CD2 LEU A 8 4.220 0.258 -8.463 1.00 60.53 C ATOM 0 H LEU A 8 3.601 -1.876 -5.396 1.00 3.14 H new ATOM 0 HA LEU A 8 4.853 -2.344 -7.964 1.00 12.45 H new ATOM 0 HB2 LEU A 8 5.782 -0.796 -5.518 1.00 53.23 H new ATOM 0 HB3 LEU A 8 6.540 -0.757 -7.098 1.00 53.23 H new ATOM 0 HG LEU A 8 3.786 0.314 -6.369 1.00 32.33 H new ATOM 0 HD11 LEU A 8 4.747 2.522 -7.004 1.00 45.44 H new ATOM 0 HD12 LEU A 8 5.629 1.772 -5.652 1.00 45.44 H new ATOM 0 HD13 LEU A 8 6.320 1.742 -7.291 1.00 45.44 H new ATOM 0 HD21 LEU A 8 3.596 1.118 -8.705 1.00 60.53 H new ATOM 0 HD22 LEU A 8 5.092 0.247 -9.117 1.00 60.53 H new ATOM 0 HD23 LEU A 8 3.647 -0.658 -8.607 1.00 60.53 H new ATOM 143 N SER A 9 6.286 -3.476 -5.151 1.00 23.34 N ATOM 144 CA SER A 9 7.275 -4.432 -4.594 1.00 71.35 C ATOM 145 C SER A 9 6.913 -4.854 -3.155 1.00 61.35 C ATOM 146 O SER A 9 6.002 -4.302 -2.532 1.00 30.41 O ATOM 147 CB SER A 9 8.710 -3.823 -4.611 1.00 14.44 C ATOM 148 OG SER A 9 9.107 -3.446 -5.918 1.00 34.03 O ATOM 0 H SER A 9 5.810 -2.918 -4.442 1.00 23.34 H new ATOM 0 HA SER A 9 7.252 -5.317 -5.230 1.00 71.35 H new ATOM 0 HB2 SER A 9 8.743 -2.952 -3.956 1.00 14.44 H new ATOM 0 HB3 SER A 9 9.418 -4.549 -4.212 1.00 14.44 H new ATOM 0 HG SER A 9 10.010 -3.067 -5.889 1.00 34.03 H new ATOM 154 N TYR A 10 7.643 -5.871 -2.659 1.00 63.00 N ATOM 155 CA TYR A 10 7.631 -6.300 -1.248 1.00 62.42 C ATOM 156 C TYR A 10 9.039 -6.110 -0.680 1.00 40.01 C ATOM 157 O TYR A 10 10.031 -6.274 -1.405 1.00 71.53 O ATOM 158 CB TYR A 10 7.221 -7.798 -1.124 1.00 13.33 C ATOM 159 CG TYR A 10 5.890 -8.137 -1.808 1.00 42.25 C ATOM 160 CD1 TYR A 10 4.670 -7.890 -1.176 1.00 62.34 C ATOM 161 CD2 TYR A 10 5.857 -8.677 -3.099 1.00 2.24 C ATOM 162 CE1 TYR A 10 3.474 -8.174 -1.805 1.00 63.03 C ATOM 163 CE2 TYR A 10 4.661 -8.952 -3.727 1.00 30.30 C ATOM 164 CZ TYR A 10 3.481 -8.698 -3.079 1.00 52.05 C ATOM 165 OH TYR A 10 2.294 -8.949 -3.720 1.00 21.31 O ATOM 0 H TYR A 10 8.270 -6.428 -3.240 1.00 63.00 H new ATOM 0 HA TYR A 10 6.905 -5.704 -0.696 1.00 62.42 H new ATOM 0 HB2 TYR A 10 8.008 -8.417 -1.555 1.00 13.33 H new ATOM 0 HB3 TYR A 10 7.153 -8.060 -0.068 1.00 13.33 H new ATOM 0 HD1 TYR A 10 4.661 -7.471 -0.181 1.00 62.34 H new ATOM 0 HD2 TYR A 10 6.785 -8.882 -3.612 1.00 2.24 H new ATOM 0 HE1 TYR A 10 2.538 -7.986 -1.301 1.00 63.03 H new ATOM 0 HE2 TYR A 10 4.654 -9.366 -4.725 1.00 30.30 H new ATOM 0 HH TYR A 10 1.585 -9.079 -3.056 1.00 21.31 H new ATOM 175 N ARG A 11 9.135 -5.787 0.615 1.00 40.41 N ATOM 176 CA ARG A 11 10.427 -5.610 1.285 1.00 2.41 C ATOM 177 C ARG A 11 10.415 -6.313 2.646 1.00 50.13 C ATOM 178 O ARG A 11 9.639 -5.954 3.534 1.00 15.53 O ATOM 179 CB ARG A 11 10.779 -4.105 1.448 1.00 73.52 C ATOM 180 CG ARG A 11 12.196 -3.869 2.025 1.00 51.24 C ATOM 181 CD ARG A 11 12.613 -2.391 2.051 1.00 73.21 C ATOM 182 NE ARG A 11 14.041 -2.244 2.397 1.00 71.12 N ATOM 183 CZ ARG A 11 14.772 -1.128 2.245 1.00 71.41 C ATOM 184 NH1 ARG A 11 14.233 -0.012 1.757 1.00 74.42 N ATOM 185 NH2 ARG A 11 16.060 -1.140 2.572 1.00 35.31 N ATOM 0 H ARG A 11 8.328 -5.642 1.222 1.00 40.41 H new ATOM 0 HA ARG A 11 11.198 -6.062 0.661 1.00 2.41 H new ATOM 0 HB2 ARG A 11 10.702 -3.613 0.478 1.00 73.52 H new ATOM 0 HB3 ARG A 11 10.044 -3.636 2.102 1.00 73.52 H new ATOM 0 HG2 ARG A 11 12.237 -4.267 3.039 1.00 51.24 H new ATOM 0 HG3 ARG A 11 12.918 -4.431 1.433 1.00 51.24 H new ATOM 0 HD2 ARG A 11 12.424 -1.940 1.077 1.00 73.21 H new ATOM 0 HD3 ARG A 11 12.003 -1.851 2.776 1.00 73.21 H new ATOM 0 HE ARG A 11 14.513 -3.061 2.785 1.00 71.12 H new ATOM 0 HH11 ARG A 11 13.248 0.005 1.491 1.00 74.42 H new ATOM 0 HH12 ARG A 11 14.805 0.826 1.649 1.00 74.42 H new ATOM 0 HH21 ARG A 11 16.486 -1.993 2.935 1.00 35.31 H new ATOM 0 HH22 ARG A 11 16.623 -0.297 2.460 1.00 35.31 H new ATOM 334 N ASN A 20 6.561 -6.617 8.301 1.00 10.03 N ATOM 335 CA ASN A 20 7.127 -6.548 6.937 1.00 13.24 C ATOM 336 C ASN A 20 6.745 -5.220 6.271 1.00 42.22 C ATOM 337 O ASN A 20 5.725 -4.620 6.610 1.00 64.42 O ATOM 338 CB ASN A 20 6.634 -7.743 6.086 1.00 52.21 C ATOM 339 CG ASN A 20 6.994 -9.087 6.718 1.00 0.44 C ATOM 340 OD1 ASN A 20 8.063 -9.643 6.463 1.00 23.12 O ATOM 341 ND2 ASN A 20 6.115 -9.611 7.559 1.00 73.22 N ATOM 0 HA ASN A 20 8.213 -6.602 7.007 1.00 13.24 H new ATOM 0 HB2 ASN A 20 5.553 -7.679 5.964 1.00 52.21 H new ATOM 0 HB3 ASN A 20 7.072 -7.683 5.090 1.00 52.21 H new ATOM 0 HD21 ASN A 20 6.315 -10.500 8.017 1.00 73.22 H new ATOM 0 HD22 ASN A 20 5.238 -9.125 7.749 1.00 73.22 H new ATOM 348 N VAL A 21 7.587 -4.774 5.328 1.00 70.35 N ATOM 349 CA VAL A 21 7.386 -3.532 4.551 1.00 30.52 C ATOM 350 C VAL A 21 6.869 -3.902 3.142 1.00 72.24 C ATOM 351 O VAL A 21 7.147 -4.999 2.654 1.00 32.04 O ATOM 352 CB VAL A 21 8.741 -2.722 4.463 1.00 65.15 C ATOM 353 CG1 VAL A 21 8.573 -1.382 3.710 1.00 63.13 C ATOM 354 CG2 VAL A 21 9.334 -2.491 5.875 1.00 53.51 C ATOM 0 H VAL A 21 8.442 -5.270 5.076 1.00 70.35 H new ATOM 0 HA VAL A 21 6.650 -2.898 5.045 1.00 30.52 H new ATOM 0 HB VAL A 21 9.441 -3.327 3.886 1.00 65.15 H new ATOM 0 HG11 VAL A 21 9.530 -0.862 3.675 1.00 63.13 H new ATOM 0 HG12 VAL A 21 8.229 -1.576 2.694 1.00 63.13 H new ATOM 0 HG13 VAL A 21 7.842 -0.762 4.229 1.00 63.13 H new ATOM 0 HG21 VAL A 21 10.266 -1.932 5.791 1.00 53.51 H new ATOM 0 HG22 VAL A 21 8.625 -1.926 6.479 1.00 53.51 H new ATOM 0 HG23 VAL A 21 9.529 -3.453 6.349 1.00 53.51 H new ATOM 364 N MET A 22 6.108 -3.002 2.495 1.00 21.41 N ATOM 365 CA MET A 22 5.533 -3.255 1.164 1.00 1.41 C ATOM 366 C MET A 22 5.396 -1.922 0.404 1.00 33.00 C ATOM 367 O MET A 22 4.878 -0.936 0.945 1.00 60.34 O ATOM 368 CB MET A 22 4.170 -3.973 1.331 1.00 73.40 C ATOM 369 CG MET A 22 3.456 -4.363 0.032 1.00 44.40 C ATOM 370 SD MET A 22 1.977 -5.358 0.352 1.00 51.34 S ATOM 371 CE MET A 22 1.182 -5.387 -1.247 1.00 22.42 C ATOM 0 H MET A 22 5.876 -2.085 2.877 1.00 21.41 H new ATOM 0 HA MET A 22 6.185 -3.903 0.578 1.00 1.41 H new ATOM 0 HB2 MET A 22 4.326 -4.875 1.922 1.00 73.40 H new ATOM 0 HB3 MET A 22 3.508 -3.326 1.907 1.00 73.40 H new ATOM 0 HG2 MET A 22 3.177 -3.462 -0.514 1.00 44.40 H new ATOM 0 HG3 MET A 22 4.140 -4.923 -0.605 1.00 44.40 H new ATOM 0 HE1 MET A 22 0.116 -5.197 -1.127 1.00 22.42 H new ATOM 0 HE2 MET A 22 1.618 -4.618 -1.884 1.00 22.42 H new ATOM 0 HE3 MET A 22 1.326 -6.364 -1.707 1.00 22.42 H new ATOM 381 N ILE A 23 5.902 -1.903 -0.840 1.00 11.52 N ATOM 382 CA ILE A 23 5.922 -0.713 -1.705 1.00 1.12 C ATOM 383 C ILE A 23 4.671 -0.712 -2.600 1.00 54.11 C ATOM 384 O ILE A 23 4.511 -1.579 -3.465 1.00 53.01 O ATOM 385 CB ILE A 23 7.244 -0.691 -2.567 1.00 24.32 C ATOM 386 CG1 ILE A 23 8.504 -0.678 -1.642 1.00 63.14 C ATOM 387 CG2 ILE A 23 7.289 0.503 -3.548 1.00 3.54 C ATOM 388 CD1 ILE A 23 8.586 0.514 -0.688 1.00 44.10 C ATOM 0 H ILE A 23 6.315 -2.726 -1.279 1.00 11.52 H new ATOM 0 HA ILE A 23 5.910 0.188 -1.092 1.00 1.12 H new ATOM 0 HB ILE A 23 7.247 -1.602 -3.165 1.00 24.32 H new ATOM 0 HG12 ILE A 23 8.516 -1.597 -1.055 1.00 63.14 H new ATOM 0 HG13 ILE A 23 9.397 -0.687 -2.267 1.00 63.14 H new ATOM 0 HG21 ILE A 23 8.218 0.472 -4.117 1.00 3.54 H new ATOM 0 HG22 ILE A 23 6.443 0.444 -4.232 1.00 3.54 H new ATOM 0 HG23 ILE A 23 7.238 1.436 -2.988 1.00 3.54 H new ATOM 0 HD11 ILE A 23 9.492 0.437 -0.087 1.00 44.10 H new ATOM 0 HD12 ILE A 23 8.609 1.440 -1.263 1.00 44.10 H new ATOM 0 HD13 ILE A 23 7.715 0.516 -0.032 1.00 44.10 H new ATOM 400 N ILE A 24 3.772 0.246 -2.341 1.00 55.13 N ATOM 401 CA ILE A 24 2.480 0.380 -3.043 1.00 30.43 C ATOM 402 C ILE A 24 2.372 1.804 -3.613 1.00 33.41 C ATOM 403 O ILE A 24 2.930 2.735 -3.045 1.00 33.40 O ATOM 404 CB ILE A 24 1.292 0.104 -2.038 1.00 41.25 C ATOM 405 CG1 ILE A 24 1.431 -1.323 -1.412 1.00 5.14 C ATOM 406 CG2 ILE A 24 -0.091 0.290 -2.712 1.00 22.11 C ATOM 407 CD1 ILE A 24 0.434 -1.649 -0.314 1.00 11.13 C ATOM 0 H ILE A 24 3.919 0.962 -1.629 1.00 55.13 H new ATOM 0 HA ILE A 24 2.422 -0.345 -3.855 1.00 30.43 H new ATOM 0 HB ILE A 24 1.354 0.841 -1.237 1.00 41.25 H new ATOM 0 HG12 ILE A 24 1.327 -2.062 -2.206 1.00 5.14 H new ATOM 0 HG13 ILE A 24 2.438 -1.429 -1.009 1.00 5.14 H new ATOM 0 HG21 ILE A 24 -0.879 0.091 -1.986 1.00 22.11 H new ATOM 0 HG22 ILE A 24 -0.184 1.313 -3.076 1.00 22.11 H new ATOM 0 HG23 ILE A 24 -0.184 -0.403 -3.548 1.00 22.11 H new ATOM 0 HD11 ILE A 24 0.614 -2.659 0.053 1.00 11.13 H new ATOM 0 HD12 ILE A 24 0.550 -0.939 0.505 1.00 11.13 H new ATOM 0 HD13 ILE A 24 -0.579 -1.583 -0.711 1.00 11.13 H new ATOM 419 N LYS A 25 1.670 1.972 -4.742 1.00 4.51 N ATOM 420 CA LYS A 25 1.407 3.299 -5.321 1.00 55.40 C ATOM 421 C LYS A 25 -0.075 3.420 -5.705 1.00 21.02 C ATOM 422 O LYS A 25 -0.539 2.676 -6.570 1.00 1.35 O ATOM 423 CB LYS A 25 2.283 3.540 -6.565 1.00 42.14 C ATOM 424 CG LYS A 25 2.148 4.958 -7.173 1.00 51.50 C ATOM 425 CD LYS A 25 2.842 5.084 -8.546 1.00 74.03 C ATOM 426 CE LYS A 25 2.146 4.230 -9.623 1.00 13.43 C ATOM 427 NZ LYS A 25 2.777 4.394 -10.956 1.00 32.11 N ATOM 0 H LYS A 25 1.271 1.200 -5.276 1.00 4.51 H new ATOM 0 HA LYS A 25 1.653 4.051 -4.571 1.00 55.40 H new ATOM 0 HB2 LYS A 25 3.326 3.369 -6.299 1.00 42.14 H new ATOM 0 HB3 LYS A 25 2.023 2.804 -7.326 1.00 42.14 H new ATOM 0 HG2 LYS A 25 1.092 5.204 -7.280 1.00 51.50 H new ATOM 0 HG3 LYS A 25 2.577 5.687 -6.485 1.00 51.50 H new ATOM 0 HD2 LYS A 25 2.844 6.129 -8.857 1.00 74.03 H new ATOM 0 HD3 LYS A 25 3.884 4.776 -8.456 1.00 74.03 H new ATOM 0 HE2 LYS A 25 2.181 3.180 -9.332 1.00 13.43 H new ATOM 0 HE3 LYS A 25 1.094 4.509 -9.683 1.00 13.43 H new ATOM 0 HZ1 LYS A 25 2.279 3.803 -11.651 1.00 32.11 H new ATOM 0 HZ2 LYS A 25 2.721 5.391 -11.246 1.00 32.11 H new ATOM 0 HZ3 LYS A 25 3.774 4.103 -10.906 1.00 32.11 H new ATOM 441 N PRO A 26 -0.844 4.357 -5.072 1.00 61.03 N ATOM 442 CA PRO A 26 -2.239 4.634 -5.463 1.00 25.14 C ATOM 443 C PRO A 26 -2.289 5.300 -6.854 1.00 10.41 C ATOM 444 O PRO A 26 -1.604 6.298 -7.074 1.00 53.13 O ATOM 445 CB PRO A 26 -2.771 5.579 -4.343 1.00 43.35 C ATOM 446 CG PRO A 26 -1.707 5.595 -3.271 1.00 23.14 C ATOM 447 CD PRO A 26 -0.413 5.236 -3.959 1.00 43.52 C ATOM 0 HA PRO A 26 -2.846 3.733 -5.550 1.00 25.14 H new ATOM 0 HB2 PRO A 26 -2.949 6.582 -4.731 1.00 43.35 H new ATOM 0 HB3 PRO A 26 -3.720 5.218 -3.946 1.00 43.35 H new ATOM 0 HG2 PRO A 26 -1.640 6.577 -2.803 1.00 23.14 H new ATOM 0 HG3 PRO A 26 -1.939 4.881 -2.481 1.00 23.14 H new ATOM 0 HD2 PRO A 26 0.106 6.122 -4.325 1.00 43.52 H new ATOM 0 HD3 PRO A 26 0.271 4.722 -3.284 1.00 43.52 H new ATOM 455 N LEU A 27 -3.066 4.722 -7.788 1.00 64.01 N ATOM 456 CA LEU A 27 -3.207 5.261 -9.166 1.00 23.30 C ATOM 457 C LEU A 27 -4.008 6.574 -9.180 1.00 70.32 C ATOM 458 O LEU A 27 -3.783 7.439 -10.036 1.00 2.13 O ATOM 459 CB LEU A 27 -3.879 4.223 -10.097 1.00 61.34 C ATOM 460 CG LEU A 27 -3.115 2.877 -10.297 1.00 22.30 C ATOM 461 CD1 LEU A 27 -3.859 1.965 -11.291 1.00 50.45 C ATOM 462 CD2 LEU A 27 -1.650 3.103 -10.743 1.00 64.25 C ATOM 0 H LEU A 27 -3.611 3.877 -7.618 1.00 64.01 H new ATOM 0 HA LEU A 27 -2.203 5.471 -9.535 1.00 23.30 H new ATOM 0 HB2 LEU A 27 -4.869 3.999 -9.701 1.00 61.34 H new ATOM 0 HB3 LEU A 27 -4.023 4.683 -11.075 1.00 61.34 H new ATOM 0 HG LEU A 27 -3.084 2.376 -9.329 1.00 22.30 H new ATOM 0 HD11 LEU A 27 -3.307 1.033 -11.413 1.00 50.45 H new ATOM 0 HD12 LEU A 27 -4.857 1.748 -10.909 1.00 50.45 H new ATOM 0 HD13 LEU A 27 -3.941 2.468 -12.255 1.00 50.45 H new ATOM 0 HD21 LEU A 27 -1.156 2.140 -10.870 1.00 64.25 H new ATOM 0 HD22 LEU A 27 -1.637 3.645 -11.688 1.00 64.25 H new ATOM 0 HD23 LEU A 27 -1.124 3.683 -9.985 1.00 64.25 H new ATOM 474 N ASP A 28 -4.939 6.702 -8.216 1.00 70.15 N ATOM 475 CA ASP A 28 -5.770 7.914 -8.043 1.00 73.43 C ATOM 476 C ASP A 28 -4.924 9.098 -7.519 1.00 14.53 C ATOM 477 O ASP A 28 -5.308 10.259 -7.656 1.00 13.05 O ATOM 478 CB ASP A 28 -6.961 7.607 -7.089 1.00 74.23 C ATOM 479 CG ASP A 28 -7.993 8.753 -6.991 1.00 43.41 C ATOM 480 OD1 ASP A 28 -8.731 8.981 -7.973 1.00 43.43 O ATOM 481 OD2 ASP A 28 -8.082 9.419 -5.933 1.00 2.31 O ATOM 0 H ASP A 28 -5.138 5.970 -7.534 1.00 70.15 H new ATOM 0 HA ASP A 28 -6.170 8.206 -9.014 1.00 73.43 H new ATOM 0 HB2 ASP A 28 -7.466 6.704 -7.432 1.00 74.23 H new ATOM 0 HB3 ASP A 28 -6.572 7.395 -6.093 1.00 74.23 H new ATOM 486 N VAL A 29 -3.755 8.776 -6.942 1.00 54.42 N ATOM 487 CA VAL A 29 -2.808 9.746 -6.369 1.00 10.50 C ATOM 488 C VAL A 29 -1.551 9.840 -7.267 1.00 21.30 C ATOM 489 O VAL A 29 -1.160 8.855 -7.898 1.00 1.25 O ATOM 490 CB VAL A 29 -2.432 9.294 -4.905 1.00 41.14 C ATOM 491 CG1 VAL A 29 -1.241 10.076 -4.323 1.00 52.42 C ATOM 492 CG2 VAL A 29 -3.660 9.382 -3.964 1.00 63.44 C ATOM 0 H VAL A 29 -3.435 7.811 -6.859 1.00 54.42 H new ATOM 0 HA VAL A 29 -3.263 10.735 -6.322 1.00 10.50 H new ATOM 0 HB VAL A 29 -2.118 8.253 -4.975 1.00 41.14 H new ATOM 0 HG11 VAL A 29 -1.030 9.720 -3.315 1.00 52.42 H new ATOM 0 HG12 VAL A 29 -0.364 9.924 -4.952 1.00 52.42 H new ATOM 0 HG13 VAL A 29 -1.484 11.138 -4.290 1.00 52.42 H new ATOM 0 HG21 VAL A 29 -3.373 9.065 -2.961 1.00 63.44 H new ATOM 0 HG22 VAL A 29 -4.020 10.410 -3.930 1.00 63.44 H new ATOM 0 HG23 VAL A 29 -4.452 8.733 -4.337 1.00 63.44 H new ATOM 502 N ASN A 30 -0.933 11.036 -7.331 1.00 52.12 N ATOM 503 CA ASN A 30 0.295 11.277 -8.123 1.00 51.12 C ATOM 504 C ASN A 30 1.241 12.287 -7.445 1.00 43.11 C ATOM 505 O ASN A 30 2.315 12.583 -7.977 1.00 30.21 O ATOM 506 CB ASN A 30 -0.081 11.717 -9.577 1.00 73.14 C ATOM 507 CG ASN A 30 -1.037 12.931 -9.700 1.00 53.43 C ATOM 508 OD1 ASN A 30 -1.919 12.949 -10.563 1.00 12.33 O ATOM 509 ND2 ASN A 30 -0.861 13.971 -8.902 1.00 25.21 N ATOM 0 H ASN A 30 -1.269 11.863 -6.837 1.00 52.12 H new ATOM 0 HA ASN A 30 0.847 10.339 -8.178 1.00 51.12 H new ATOM 0 HB2 ASN A 30 0.839 11.950 -10.113 1.00 73.14 H new ATOM 0 HB3 ASN A 30 -0.539 10.868 -10.084 1.00 73.14 H new ATOM 0 HD21 ASN A 30 -1.456 14.794 -8.998 1.00 25.21 H new ATOM 0 HD22 ASN A 30 -0.130 13.950 -8.191 1.00 25.21 H new ATOM 516 N SER A 31 0.837 12.809 -6.275 1.00 31.52 N ATOM 517 CA SER A 31 1.579 13.862 -5.550 1.00 12.32 C ATOM 518 C SER A 31 1.818 13.445 -4.093 1.00 11.44 C ATOM 519 O SER A 31 0.976 12.761 -3.491 1.00 31.02 O ATOM 520 CB SER A 31 0.784 15.176 -5.619 1.00 12.11 C ATOM 521 OG SER A 31 0.551 15.562 -6.964 1.00 72.14 O ATOM 0 H SER A 31 -0.016 12.513 -5.801 1.00 31.52 H new ATOM 0 HA SER A 31 2.553 14.008 -6.017 1.00 12.32 H new ATOM 0 HB2 SER A 31 -0.168 15.056 -5.102 1.00 12.11 H new ATOM 0 HB3 SER A 31 1.331 15.963 -5.101 1.00 12.11 H new ATOM 0 HG SER A 31 0.042 16.399 -6.981 1.00 72.14 H new ATOM 527 N ARG A 32 2.966 13.887 -3.531 1.00 22.12 N ATOM 528 CA ARG A 32 3.399 13.521 -2.167 1.00 13.35 C ATOM 529 C ARG A 32 2.434 14.056 -1.087 1.00 14.33 C ATOM 530 O ARG A 32 2.237 13.394 -0.068 1.00 11.01 O ATOM 531 CB ARG A 32 4.838 14.032 -1.883 1.00 1.41 C ATOM 532 CG ARG A 32 5.381 13.637 -0.486 1.00 4.24 C ATOM 533 CD ARG A 32 6.815 14.110 -0.212 1.00 31.21 C ATOM 534 NE ARG A 32 7.229 13.767 1.163 1.00 72.11 N ATOM 535 CZ ARG A 32 8.490 13.745 1.616 1.00 33.45 C ATOM 536 NH1 ARG A 32 9.511 14.056 0.816 1.00 32.20 N ATOM 537 NH2 ARG A 32 8.718 13.411 2.881 1.00 14.41 N ATOM 0 H ARG A 32 3.617 14.508 -4.012 1.00 22.12 H new ATOM 0 HA ARG A 32 3.389 12.432 -2.119 1.00 13.35 H new ATOM 0 HB2 ARG A 32 5.509 13.640 -2.647 1.00 1.41 H new ATOM 0 HB3 ARG A 32 4.852 15.118 -1.973 1.00 1.41 H new ATOM 0 HG2 ARG A 32 4.722 14.050 0.278 1.00 4.24 H new ATOM 0 HG3 ARG A 32 5.343 12.552 -0.387 1.00 4.24 H new ATOM 0 HD2 ARG A 32 7.497 13.650 -0.927 1.00 31.21 H new ATOM 0 HD3 ARG A 32 6.881 15.188 -0.358 1.00 31.21 H new ATOM 0 HE ARG A 32 6.492 13.526 1.825 1.00 72.11 H new ATOM 0 HH11 ARG A 32 9.337 14.315 -0.155 1.00 32.20 H new ATOM 0 HH12 ARG A 32 10.465 14.035 1.175 1.00 32.20 H new ATOM 0 HH21 ARG A 32 7.938 13.175 3.495 1.00 14.41 H new ATOM 0 HH22 ARG A 32 9.673 13.390 3.239 1.00 14.41 H new ATOM 551 N GLU A 33 1.845 15.255 -1.321 1.00 1.14 N ATOM 552 CA GLU A 33 0.856 15.878 -0.398 1.00 55.13 C ATOM 553 C GLU A 33 -0.367 14.957 -0.172 1.00 42.34 C ATOM 554 O GLU A 33 -0.873 14.825 0.958 1.00 3.30 O ATOM 555 CB GLU A 33 0.393 17.248 -0.956 1.00 73.20 C ATOM 556 CG GLU A 33 1.511 18.305 -1.064 1.00 4.31 C ATOM 557 CD GLU A 33 1.051 19.618 -1.723 1.00 14.33 C ATOM 558 OE1 GLU A 33 1.134 19.734 -2.968 1.00 1.33 O ATOM 559 OE2 GLU A 33 0.582 20.527 -1.004 1.00 75.25 O ATOM 0 H GLU A 33 2.039 15.817 -2.150 1.00 1.14 H new ATOM 0 HA GLU A 33 1.346 16.028 0.564 1.00 55.13 H new ATOM 0 HB2 GLU A 33 -0.042 17.096 -1.944 1.00 73.20 H new ATOM 0 HB3 GLU A 33 -0.398 17.638 -0.316 1.00 73.20 H new ATOM 0 HG2 GLU A 33 1.893 18.522 -0.066 1.00 4.31 H new ATOM 0 HG3 GLU A 33 2.339 17.890 -1.639 1.00 4.31 H new ATOM 566 N GLU A 34 -0.792 14.299 -1.264 1.00 24.24 N ATOM 567 CA GLU A 34 -1.919 13.352 -1.249 1.00 22.43 C ATOM 568 C GLU A 34 -1.526 12.079 -0.478 1.00 53.23 C ATOM 569 O GLU A 34 -2.274 11.609 0.363 1.00 73.42 O ATOM 570 CB GLU A 34 -2.333 12.986 -2.684 1.00 41.55 C ATOM 571 CG GLU A 34 -2.554 14.176 -3.619 1.00 61.00 C ATOM 572 CD GLU A 34 -2.955 13.735 -5.028 1.00 13.24 C ATOM 573 OE1 GLU A 34 -2.064 13.457 -5.855 1.00 53.45 O ATOM 574 OE2 GLU A 34 -4.164 13.632 -5.305 1.00 21.42 O ATOM 0 H GLU A 34 -0.363 14.409 -2.183 1.00 24.24 H new ATOM 0 HA GLU A 34 -2.765 13.826 -0.751 1.00 22.43 H new ATOM 0 HB2 GLU A 34 -1.565 12.343 -3.114 1.00 41.55 H new ATOM 0 HB3 GLU A 34 -3.252 12.401 -2.642 1.00 41.55 H new ATOM 0 HG2 GLU A 34 -3.330 14.821 -3.207 1.00 61.00 H new ATOM 0 HG3 GLU A 34 -1.641 14.769 -3.671 1.00 61.00 H new ATOM 581 N ALA A 35 -0.316 11.561 -0.762 1.00 3.03 N ATOM 582 CA ALA A 35 0.258 10.407 -0.036 1.00 64.23 C ATOM 583 C ALA A 35 0.430 10.722 1.473 1.00 52.13 C ATOM 584 O ALA A 35 0.305 9.840 2.328 1.00 62.34 O ATOM 585 CB ALA A 35 1.601 10.007 -0.680 1.00 55.00 C ATOM 0 H ALA A 35 0.290 11.927 -1.497 1.00 3.03 H new ATOM 0 HA ALA A 35 -0.432 9.566 -0.111 1.00 64.23 H new ATOM 0 HB1 ALA A 35 2.023 9.157 -0.144 1.00 55.00 H new ATOM 0 HB2 ALA A 35 1.438 9.734 -1.723 1.00 55.00 H new ATOM 0 HB3 ALA A 35 2.293 10.847 -0.629 1.00 55.00 H new ATOM 591 N SER A 36 0.663 12.016 1.770 1.00 73.13 N ATOM 592 CA SER A 36 0.920 12.518 3.132 1.00 2.05 C ATOM 593 C SER A 36 -0.370 12.575 3.968 1.00 60.15 C ATOM 594 O SER A 36 -0.318 12.434 5.190 1.00 74.30 O ATOM 595 CB SER A 36 1.582 13.910 3.059 1.00 22.31 C ATOM 596 OG SER A 36 1.920 14.401 4.344 1.00 75.55 O ATOM 0 H SER A 36 0.678 12.750 1.061 1.00 73.13 H new ATOM 0 HA SER A 36 1.598 11.823 3.628 1.00 2.05 H new ATOM 0 HB2 SER A 36 2.480 13.853 2.444 1.00 22.31 H new ATOM 0 HB3 SER A 36 0.904 14.609 2.570 1.00 22.31 H new ATOM 0 HG SER A 36 2.338 15.283 4.258 1.00 75.55 H new ATOM 602 N LYS A 37 -1.526 12.804 3.310 1.00 3.10 N ATOM 603 CA LYS A 37 -2.842 12.732 3.992 1.00 23.22 C ATOM 604 C LYS A 37 -3.369 11.279 4.036 1.00 61.21 C ATOM 605 O LYS A 37 -4.446 11.022 4.589 1.00 73.01 O ATOM 606 CB LYS A 37 -3.880 13.690 3.327 1.00 42.41 C ATOM 607 CG LYS A 37 -4.254 13.346 1.869 1.00 44.54 C ATOM 608 CD LYS A 37 -5.240 14.336 1.190 1.00 12.00 C ATOM 609 CE LYS A 37 -6.688 14.252 1.723 1.00 3.41 C ATOM 610 NZ LYS A 37 -6.848 14.816 3.091 1.00 63.33 N ATOM 0 H LYS A 37 -1.579 13.038 2.319 1.00 3.10 H new ATOM 0 HA LYS A 37 -2.699 13.065 5.020 1.00 23.22 H new ATOM 0 HB2 LYS A 37 -4.789 13.688 3.928 1.00 42.41 H new ATOM 0 HB3 LYS A 37 -3.483 14.705 3.353 1.00 42.41 H new ATOM 0 HG2 LYS A 37 -3.340 13.304 1.276 1.00 44.54 H new ATOM 0 HG3 LYS A 37 -4.693 12.349 1.849 1.00 44.54 H new ATOM 0 HD2 LYS A 37 -4.871 15.352 1.330 1.00 12.00 H new ATOM 0 HD3 LYS A 37 -5.248 14.145 0.117 1.00 12.00 H new ATOM 0 HE2 LYS A 37 -7.350 14.783 1.039 1.00 3.41 H new ATOM 0 HE3 LYS A 37 -7.005 13.209 1.729 1.00 3.41 H new ATOM 0 HZ1 LYS A 37 -7.724 15.374 3.136 1.00 63.33 H new ATOM 0 HZ2 LYS A 37 -6.895 14.041 3.783 1.00 63.33 H new ATOM 0 HZ3 LYS A 37 -6.036 15.428 3.311 1.00 63.33 H new ATOM 624 N LEU A 38 -2.600 10.334 3.448 1.00 5.04 N ATOM 625 CA LEU A 38 -2.905 8.892 3.512 1.00 11.14 C ATOM 626 C LEU A 38 -2.210 8.218 4.707 1.00 1.33 C ATOM 627 O LEU A 38 -2.498 7.051 4.995 1.00 33.11 O ATOM 628 CB LEU A 38 -2.498 8.177 2.193 1.00 34.12 C ATOM 629 CG LEU A 38 -3.203 8.660 0.890 1.00 52.33 C ATOM 630 CD1 LEU A 38 -2.778 7.817 -0.332 1.00 35.01 C ATOM 631 CD2 LEU A 38 -4.732 8.685 1.055 1.00 14.44 C ATOM 0 H LEU A 38 -1.755 10.551 2.919 1.00 5.04 H new ATOM 0 HA LEU A 38 -3.983 8.799 3.646 1.00 11.14 H new ATOM 0 HB2 LEU A 38 -1.422 8.293 2.061 1.00 34.12 H new ATOM 0 HB3 LEU A 38 -2.692 7.111 2.310 1.00 34.12 H new ATOM 0 HG LEU A 38 -2.878 9.684 0.705 1.00 52.33 H new ATOM 0 HD11 LEU A 38 -3.290 8.183 -1.222 1.00 35.01 H new ATOM 0 HD12 LEU A 38 -1.700 7.899 -0.474 1.00 35.01 H new ATOM 0 HD13 LEU A 38 -3.044 6.773 -0.164 1.00 35.01 H new ATOM 0 HD21 LEU A 38 -5.192 9.026 0.128 1.00 14.44 H new ATOM 0 HD22 LEU A 38 -5.089 7.682 1.290 1.00 14.44 H new ATOM 0 HD23 LEU A 38 -5.000 9.364 1.865 1.00 14.44 H new ATOM 643 N ILE A 39 -1.299 8.951 5.388 1.00 11.25 N ATOM 644 CA ILE A 39 -0.558 8.426 6.553 1.00 13.52 C ATOM 645 C ILE A 39 -1.531 8.092 7.699 1.00 73.55 C ATOM 646 O ILE A 39 -2.250 8.973 8.186 1.00 15.14 O ATOM 647 CB ILE A 39 0.540 9.438 7.077 1.00 52.44 C ATOM 648 CG1 ILE A 39 1.502 9.892 5.934 1.00 23.14 C ATOM 649 CG2 ILE A 39 1.350 8.831 8.256 1.00 21.20 C ATOM 650 CD1 ILE A 39 2.273 8.781 5.259 1.00 0.01 C ATOM 0 H ILE A 39 -1.060 9.913 5.147 1.00 11.25 H new ATOM 0 HA ILE A 39 -0.047 7.522 6.220 1.00 13.52 H new ATOM 0 HB ILE A 39 0.011 10.319 7.440 1.00 52.44 H new ATOM 0 HG12 ILE A 39 0.919 10.418 5.178 1.00 23.14 H new ATOM 0 HG13 ILE A 39 2.214 10.609 6.344 1.00 23.14 H new ATOM 0 HG21 ILE A 39 2.096 9.550 8.593 1.00 21.20 H new ATOM 0 HG22 ILE A 39 0.675 8.596 9.079 1.00 21.20 H new ATOM 0 HG23 ILE A 39 1.848 7.920 7.924 1.00 21.20 H new ATOM 0 HD11 ILE A 39 2.911 9.201 4.481 1.00 0.01 H new ATOM 0 HD12 ILE A 39 2.890 8.266 5.996 1.00 0.01 H new ATOM 0 HD13 ILE A 39 1.575 8.073 4.812 1.00 0.01 H new ATOM 662 N GLY A 40 -1.552 6.817 8.104 1.00 70.32 N ATOM 663 CA GLY A 40 -2.395 6.348 9.208 1.00 24.21 C ATOM 664 C GLY A 40 -3.631 5.594 8.739 1.00 61.14 C ATOM 665 O GLY A 40 -4.419 5.132 9.571 1.00 23.44 O ATOM 0 H GLY A 40 -0.986 6.084 7.677 1.00 70.32 H new ATOM 0 HA2 GLY A 40 -1.806 5.700 9.857 1.00 24.21 H new ATOM 0 HA3 GLY A 40 -2.705 7.203 9.809 1.00 24.21 H new ATOM 669 N ARG A 41 -3.810 5.462 7.406 1.00 3.43 N ATOM 670 CA ARG A 41 -4.951 4.723 6.828 1.00 61.55 C ATOM 671 C ARG A 41 -4.614 3.241 6.653 1.00 33.52 C ATOM 672 O ARG A 41 -3.434 2.862 6.583 1.00 42.24 O ATOM 673 CB ARG A 41 -5.384 5.332 5.471 1.00 34.45 C ATOM 674 CG ARG A 41 -5.867 6.787 5.566 1.00 0.12 C ATOM 675 CD ARG A 41 -6.332 7.356 4.221 1.00 22.35 C ATOM 676 NE ARG A 41 -6.636 8.793 4.326 1.00 21.32 N ATOM 677 CZ ARG A 41 -7.374 9.499 3.456 1.00 42.20 C ATOM 678 NH1 ARG A 41 -7.913 8.919 2.383 1.00 54.21 N ATOM 679 NH2 ARG A 41 -7.553 10.791 3.662 1.00 24.35 N ATOM 0 H ARG A 41 -3.178 5.859 6.711 1.00 3.43 H new ATOM 0 HA ARG A 41 -5.783 4.811 7.527 1.00 61.55 H new ATOM 0 HB2 ARG A 41 -4.544 5.283 4.778 1.00 34.45 H new ATOM 0 HB3 ARG A 41 -6.182 4.722 5.048 1.00 34.45 H new ATOM 0 HG2 ARG A 41 -6.687 6.845 6.281 1.00 0.12 H new ATOM 0 HG3 ARG A 41 -5.060 7.407 5.956 1.00 0.12 H new ATOM 0 HD2 ARG A 41 -5.558 7.200 3.470 1.00 22.35 H new ATOM 0 HD3 ARG A 41 -7.218 6.818 3.883 1.00 22.35 H new ATOM 0 HE ARG A 41 -6.253 9.294 5.128 1.00 21.32 H new ATOM 0 HH11 ARG A 41 -7.767 7.924 2.214 1.00 54.21 H new ATOM 0 HH12 ARG A 41 -8.471 9.471 1.732 1.00 54.21 H new ATOM 0 HH21 ARG A 41 -7.132 11.241 4.475 1.00 24.35 H new ATOM 0 HH22 ARG A 41 -8.112 11.339 3.008 1.00 24.35 H new ATOM 693 N LEU A 42 -5.673 2.431 6.525 1.00 32.02 N ATOM 694 CA LEU A 42 -5.582 0.970 6.461 1.00 42.42 C ATOM 695 C LEU A 42 -5.437 0.522 5.001 1.00 32.24 C ATOM 696 O LEU A 42 -5.999 1.137 4.100 1.00 12.32 O ATOM 697 CB LEU A 42 -6.859 0.356 7.099 1.00 45.50 C ATOM 698 CG LEU A 42 -6.930 -1.201 7.177 1.00 64.30 C ATOM 699 CD1 LEU A 42 -5.698 -1.779 7.888 1.00 21.14 C ATOM 700 CD2 LEU A 42 -8.224 -1.662 7.874 1.00 52.41 C ATOM 0 H LEU A 42 -6.630 2.779 6.462 1.00 32.02 H new ATOM 0 HA LEU A 42 -4.707 0.626 7.013 1.00 42.42 H new ATOM 0 HB2 LEU A 42 -6.957 0.751 8.110 1.00 45.50 H new ATOM 0 HB3 LEU A 42 -7.723 0.707 6.535 1.00 45.50 H new ATOM 0 HG LEU A 42 -6.939 -1.581 6.155 1.00 64.30 H new ATOM 0 HD11 LEU A 42 -5.777 -2.865 7.927 1.00 21.14 H new ATOM 0 HD12 LEU A 42 -4.798 -1.500 7.341 1.00 21.14 H new ATOM 0 HD13 LEU A 42 -5.644 -1.383 8.902 1.00 21.14 H new ATOM 0 HD21 LEU A 42 -8.247 -2.751 7.915 1.00 52.41 H new ATOM 0 HD22 LEU A 42 -8.255 -1.260 8.887 1.00 52.41 H new ATOM 0 HD23 LEU A 42 -9.087 -1.301 7.314 1.00 52.41 H new ATOM 712 N VAL A 43 -4.653 -0.543 4.782 1.00 60.05 N ATOM 713 CA VAL A 43 -4.442 -1.147 3.461 1.00 2.14 C ATOM 714 C VAL A 43 -4.796 -2.643 3.541 1.00 64.41 C ATOM 715 O VAL A 43 -4.159 -3.399 4.268 1.00 3.42 O ATOM 716 CB VAL A 43 -2.952 -0.977 2.976 1.00 53.03 C ATOM 717 CG1 VAL A 43 -2.736 -1.645 1.602 1.00 71.11 C ATOM 718 CG2 VAL A 43 -2.537 0.513 2.931 1.00 72.14 C ATOM 0 H VAL A 43 -4.141 -1.014 5.528 1.00 60.05 H new ATOM 0 HA VAL A 43 -5.082 -0.640 2.739 1.00 2.14 H new ATOM 0 HB VAL A 43 -2.314 -1.479 3.703 1.00 53.03 H new ATOM 0 HG11 VAL A 43 -1.700 -1.512 1.292 1.00 71.11 H new ATOM 0 HG12 VAL A 43 -2.959 -2.709 1.676 1.00 71.11 H new ATOM 0 HG13 VAL A 43 -3.396 -1.186 0.866 1.00 71.11 H new ATOM 0 HG21 VAL A 43 -1.504 0.593 2.592 1.00 72.14 H new ATOM 0 HG22 VAL A 43 -3.188 1.051 2.242 1.00 72.14 H new ATOM 0 HG23 VAL A 43 -2.627 0.946 3.927 1.00 72.14 H new ATOM 728 N LEU A 44 -5.830 -3.051 2.805 1.00 1.21 N ATOM 729 CA LEU A 44 -6.283 -4.440 2.749 1.00 32.30 C ATOM 730 C LEU A 44 -5.806 -5.065 1.434 1.00 72.32 C ATOM 731 O LEU A 44 -6.307 -4.716 0.359 1.00 51.21 O ATOM 732 CB LEU A 44 -7.829 -4.480 2.875 1.00 54.15 C ATOM 733 CG LEU A 44 -8.406 -3.875 4.198 1.00 43.41 C ATOM 734 CD1 LEU A 44 -9.947 -3.927 4.231 1.00 61.31 C ATOM 735 CD2 LEU A 44 -7.800 -4.568 5.435 1.00 70.23 C ATOM 0 H LEU A 44 -6.382 -2.419 2.225 1.00 1.21 H new ATOM 0 HA LEU A 44 -5.864 -5.016 3.574 1.00 32.30 H new ATOM 0 HB2 LEU A 44 -8.260 -3.943 2.030 1.00 54.15 H new ATOM 0 HB3 LEU A 44 -8.157 -5.516 2.795 1.00 54.15 H new ATOM 0 HG LEU A 44 -8.119 -2.824 4.224 1.00 43.41 H new ATOM 0 HD11 LEU A 44 -10.306 -3.497 5.166 1.00 61.31 H new ATOM 0 HD12 LEU A 44 -10.348 -3.358 3.393 1.00 61.31 H new ATOM 0 HD13 LEU A 44 -10.278 -4.963 4.157 1.00 61.31 H new ATOM 0 HD21 LEU A 44 -8.219 -4.128 6.340 1.00 70.23 H new ATOM 0 HD22 LEU A 44 -8.034 -5.632 5.407 1.00 70.23 H new ATOM 0 HD23 LEU A 44 -6.718 -4.434 5.433 1.00 70.23 H new ATOM 747 N TRP A 45 -4.788 -5.930 1.526 1.00 70.13 N ATOM 748 CA TRP A 45 -4.271 -6.698 0.385 1.00 13.14 C ATOM 749 C TRP A 45 -4.656 -8.169 0.558 1.00 64.31 C ATOM 750 O TRP A 45 -4.652 -8.688 1.677 1.00 5.25 O ATOM 751 CB TRP A 45 -2.728 -6.551 0.286 1.00 53.32 C ATOM 752 CG TRP A 45 -2.097 -7.389 -0.812 1.00 72.00 C ATOM 753 CD1 TRP A 45 -2.322 -7.276 -2.149 1.00 1.34 C ATOM 754 CD2 TRP A 45 -1.155 -8.463 -0.661 1.00 73.33 C ATOM 755 NE1 TRP A 45 -1.615 -8.227 -2.833 1.00 13.32 N ATOM 756 CE2 TRP A 45 -0.885 -8.962 -1.942 1.00 62.02 C ATOM 757 CE3 TRP A 45 -0.523 -9.057 0.429 1.00 24.33 C ATOM 758 CZ2 TRP A 45 -0.013 -10.023 -2.158 1.00 3.10 C ATOM 759 CZ3 TRP A 45 0.350 -10.110 0.207 1.00 70.24 C ATOM 760 CH2 TRP A 45 0.596 -10.585 -1.080 1.00 62.42 C ATOM 0 H TRP A 45 -4.296 -6.118 2.400 1.00 70.13 H new ATOM 0 HA TRP A 45 -4.707 -6.314 -0.537 1.00 13.14 H new ATOM 0 HB2 TRP A 45 -2.483 -5.503 0.115 1.00 53.32 H new ATOM 0 HB3 TRP A 45 -2.285 -6.830 1.242 1.00 53.32 H new ATOM 0 HD1 TRP A 45 -2.967 -6.540 -2.606 1.00 1.34 H new ATOM 0 HE1 TRP A 45 -1.630 -8.365 -3.844 1.00 13.32 H new ATOM 0 HE3 TRP A 45 -0.711 -8.702 1.432 1.00 24.33 H new ATOM 0 HZ2 TRP A 45 0.176 -10.391 -3.156 1.00 3.10 H new ATOM 0 HZ3 TRP A 45 0.849 -10.571 1.047 1.00 70.24 H new ATOM 0 HH2 TRP A 45 1.279 -11.410 -1.223 1.00 62.42 H new ATOM 771 N LYS A 46 -4.977 -8.835 -0.554 1.00 51.14 N ATOM 772 CA LYS A 46 -5.270 -10.268 -0.566 1.00 2.13 C ATOM 773 C LYS A 46 -4.013 -11.025 -1.000 1.00 44.22 C ATOM 774 O LYS A 46 -3.498 -10.808 -2.098 1.00 13.23 O ATOM 775 CB LYS A 46 -6.442 -10.588 -1.525 1.00 74.33 C ATOM 776 CG LYS A 46 -6.829 -12.092 -1.585 1.00 34.22 C ATOM 777 CD LYS A 46 -7.478 -12.619 -0.285 1.00 2.54 C ATOM 778 CE LYS A 46 -8.834 -11.955 0.022 1.00 42.03 C ATOM 779 NZ LYS A 46 -9.839 -12.169 -1.050 1.00 13.11 N ATOM 0 H LYS A 46 -5.041 -8.394 -1.472 1.00 51.14 H new ATOM 0 HA LYS A 46 -5.566 -10.579 0.436 1.00 2.13 H new ATOM 0 HB2 LYS A 46 -7.315 -10.013 -1.217 1.00 74.33 H new ATOM 0 HB3 LYS A 46 -6.177 -10.253 -2.528 1.00 74.33 H new ATOM 0 HG2 LYS A 46 -7.519 -12.248 -2.414 1.00 34.22 H new ATOM 0 HG3 LYS A 46 -5.936 -12.680 -1.799 1.00 34.22 H new ATOM 0 HD2 LYS A 46 -7.617 -13.697 -0.366 1.00 2.54 H new ATOM 0 HD3 LYS A 46 -6.798 -12.447 0.550 1.00 2.54 H new ATOM 0 HE2 LYS A 46 -9.222 -12.350 0.961 1.00 42.03 H new ATOM 0 HE3 LYS A 46 -8.685 -10.885 0.164 1.00 42.03 H new ATOM 0 HZ1 LYS A 46 -10.766 -11.820 -0.732 1.00 13.11 H new ATOM 0 HZ2 LYS A 46 -9.549 -11.653 -1.905 1.00 13.11 H new ATOM 0 HZ3 LYS A 46 -9.907 -13.184 -1.264 1.00 13.11 H new ATOM 793 N SER A 47 -3.517 -11.884 -0.118 1.00 65.45 N ATOM 794 CA SER A 47 -2.389 -12.773 -0.413 1.00 24.50 C ATOM 795 C SER A 47 -2.878 -13.984 -1.237 1.00 61.40 C ATOM 796 O SER A 47 -4.046 -14.369 -1.117 1.00 54.42 O ATOM 797 CB SER A 47 -1.729 -13.238 0.911 1.00 63.21 C ATOM 798 OG SER A 47 -2.657 -13.900 1.758 1.00 12.15 O ATOM 0 H SER A 47 -3.884 -11.988 0.828 1.00 65.45 H new ATOM 0 HA SER A 47 -1.645 -12.235 -1.000 1.00 24.50 H new ATOM 0 HB2 SER A 47 -0.899 -13.908 0.688 1.00 63.21 H new ATOM 0 HB3 SER A 47 -1.312 -12.376 1.432 1.00 63.21 H new ATOM 0 HG SER A 47 -3.387 -13.287 1.985 1.00 12.15 H new ATOM 804 N PRO A 48 -1.991 -14.623 -2.071 1.00 0.24 N ATOM 805 CA PRO A 48 -2.309 -15.912 -2.755 1.00 21.45 C ATOM 806 C PRO A 48 -2.458 -17.091 -1.757 1.00 73.42 C ATOM 807 O PRO A 48 -2.864 -18.193 -2.149 1.00 72.13 O ATOM 808 CB PRO A 48 -1.112 -16.117 -3.715 1.00 71.14 C ATOM 809 CG PRO A 48 0.011 -15.348 -3.087 1.00 61.34 C ATOM 810 CD PRO A 48 -0.634 -14.133 -2.448 1.00 43.00 C ATOM 0 HA PRO A 48 -3.268 -15.881 -3.273 1.00 21.45 H new ATOM 0 HB2 PRO A 48 -0.861 -17.173 -3.817 1.00 71.14 H new ATOM 0 HB3 PRO A 48 -1.337 -15.745 -4.715 1.00 71.14 H new ATOM 0 HG2 PRO A 48 0.532 -15.952 -2.344 1.00 61.34 H new ATOM 0 HG3 PRO A 48 0.749 -15.053 -3.833 1.00 61.34 H new ATOM 0 HD2 PRO A 48 -0.074 -13.791 -1.578 1.00 43.00 H new ATOM 0 HD3 PRO A 48 -0.688 -13.294 -3.142 1.00 43.00 H new ATOM 818 N SER A 49 -2.123 -16.830 -0.468 1.00 64.51 N ATOM 819 CA SER A 49 -2.367 -17.746 0.662 1.00 50.12 C ATOM 820 C SER A 49 -3.876 -17.822 0.998 1.00 33.11 C ATOM 821 O SER A 49 -4.316 -18.757 1.678 1.00 1.30 O ATOM 822 CB SER A 49 -1.558 -17.253 1.893 1.00 70.01 C ATOM 823 OG SER A 49 -1.648 -18.142 3.003 1.00 51.02 O ATOM 0 H SER A 49 -1.669 -15.961 -0.186 1.00 64.51 H new ATOM 0 HA SER A 49 -2.041 -18.749 0.387 1.00 50.12 H new ATOM 0 HB2 SER A 49 -0.512 -17.135 1.611 1.00 70.01 H new ATOM 0 HB3 SER A 49 -1.921 -16.269 2.191 1.00 70.01 H new ATOM 0 HG SER A 49 -1.121 -17.788 3.750 1.00 51.02 H new ATOM 829 N GLY A 50 -4.658 -16.827 0.511 1.00 45.43 N ATOM 830 CA GLY A 50 -6.108 -16.757 0.749 1.00 1.34 C ATOM 831 C GLY A 50 -6.474 -15.912 1.955 1.00 21.32 C ATOM 832 O GLY A 50 -7.596 -15.993 2.466 1.00 13.12 O ATOM 0 H GLY A 50 -4.297 -16.058 -0.054 1.00 45.43 H new ATOM 0 HA2 GLY A 50 -6.596 -16.347 -0.135 1.00 1.34 H new ATOM 0 HA3 GLY A 50 -6.496 -17.766 0.889 1.00 1.34 H new ATOM 836 N LYS A 51 -5.513 -15.096 2.415 1.00 10.12 N ATOM 837 CA LYS A 51 -5.659 -14.258 3.615 1.00 21.31 C ATOM 838 C LYS A 51 -5.747 -12.787 3.214 1.00 74.53 C ATOM 839 O LYS A 51 -5.143 -12.381 2.220 1.00 43.42 O ATOM 840 CB LYS A 51 -4.424 -14.451 4.543 1.00 33.02 C ATOM 841 CG LYS A 51 -4.085 -15.912 4.938 1.00 64.52 C ATOM 842 CD LYS A 51 -4.856 -16.449 6.175 1.00 21.11 C ATOM 843 CE LYS A 51 -6.328 -16.795 5.905 1.00 2.15 C ATOM 844 NZ LYS A 51 -6.986 -17.416 7.087 1.00 42.05 N ATOM 0 H LYS A 51 -4.605 -14.999 1.961 1.00 10.12 H new ATOM 0 HA LYS A 51 -6.568 -14.551 4.140 1.00 21.31 H new ATOM 0 HB2 LYS A 51 -3.554 -14.019 4.049 1.00 33.02 H new ATOM 0 HB3 LYS A 51 -4.589 -13.879 5.456 1.00 33.02 H new ATOM 0 HG2 LYS A 51 -4.294 -16.561 4.088 1.00 64.52 H new ATOM 0 HG3 LYS A 51 -3.015 -15.981 5.136 1.00 64.52 H new ATOM 0 HD2 LYS A 51 -4.348 -17.339 6.546 1.00 21.11 H new ATOM 0 HD3 LYS A 51 -4.811 -15.703 6.968 1.00 21.11 H new ATOM 0 HE2 LYS A 51 -6.867 -15.890 5.625 1.00 2.15 H new ATOM 0 HE3 LYS A 51 -6.389 -17.477 5.057 1.00 2.15 H new ATOM 0 HZ1 LYS A 51 -7.977 -17.632 6.859 1.00 42.05 H new ATOM 0 HZ2 LYS A 51 -6.489 -18.294 7.339 1.00 42.05 H new ATOM 0 HZ3 LYS A 51 -6.952 -16.756 7.890 1.00 42.05 H new ATOM 858 N ILE A 52 -6.473 -11.998 4.004 1.00 13.43 N ATOM 859 CA ILE A 52 -6.478 -10.535 3.870 1.00 14.52 C ATOM 860 C ILE A 52 -5.428 -9.978 4.834 1.00 10.22 C ATOM 861 O ILE A 52 -5.669 -9.888 6.044 1.00 61.14 O ATOM 862 CB ILE A 52 -7.886 -9.888 4.171 1.00 15.43 C ATOM 863 CG1 ILE A 52 -8.986 -10.552 3.293 1.00 32.20 C ATOM 864 CG2 ILE A 52 -7.842 -8.357 3.933 1.00 12.23 C ATOM 865 CD1 ILE A 52 -10.408 -10.076 3.539 1.00 45.14 C ATOM 0 H ILE A 52 -7.072 -12.348 4.752 1.00 13.43 H new ATOM 0 HA ILE A 52 -6.248 -10.283 2.835 1.00 14.52 H new ATOM 0 HB ILE A 52 -8.132 -10.062 5.218 1.00 15.43 H new ATOM 0 HG12 ILE A 52 -8.741 -10.378 2.245 1.00 32.20 H new ATOM 0 HG13 ILE A 52 -8.951 -11.629 3.454 1.00 32.20 H new ATOM 0 HG21 ILE A 52 -8.821 -7.928 4.145 1.00 12.23 H new ATOM 0 HG22 ILE A 52 -7.098 -7.908 4.591 1.00 12.23 H new ATOM 0 HG23 ILE A 52 -7.576 -8.158 2.895 1.00 12.23 H new ATOM 0 HD11 ILE A 52 -11.089 -10.605 2.873 1.00 45.14 H new ATOM 0 HD12 ILE A 52 -10.685 -10.276 4.574 1.00 45.14 H new ATOM 0 HD13 ILE A 52 -10.472 -9.005 3.347 1.00 45.14 H new ATOM 877 N LEU A 53 -4.245 -9.676 4.297 1.00 23.31 N ATOM 878 CA LEU A 53 -3.161 -9.079 5.066 1.00 52.10 C ATOM 879 C LEU A 53 -3.433 -7.587 5.246 1.00 55.35 C ATOM 880 O LEU A 53 -3.677 -6.868 4.268 1.00 34.51 O ATOM 881 CB LEU A 53 -1.800 -9.322 4.375 1.00 70.24 C ATOM 882 CG LEU A 53 -1.419 -10.817 4.139 1.00 55.44 C ATOM 883 CD1 LEU A 53 0.008 -10.933 3.588 1.00 14.21 C ATOM 884 CD2 LEU A 53 -1.590 -11.667 5.417 1.00 11.31 C ATOM 0 H LEU A 53 -4.015 -9.840 3.317 1.00 23.31 H new ATOM 0 HA LEU A 53 -3.113 -9.549 6.048 1.00 52.10 H new ATOM 0 HB2 LEU A 53 -1.806 -8.811 3.412 1.00 70.24 H new ATOM 0 HB3 LEU A 53 -1.019 -8.858 4.978 1.00 70.24 H new ATOM 0 HG LEU A 53 -2.109 -11.215 3.396 1.00 55.44 H new ATOM 0 HD11 LEU A 53 0.253 -11.983 3.431 1.00 14.21 H new ATOM 0 HD12 LEU A 53 0.077 -10.399 2.640 1.00 14.21 H new ATOM 0 HD13 LEU A 53 0.710 -10.499 4.301 1.00 14.21 H new ATOM 0 HD21 LEU A 53 -1.314 -12.700 5.206 1.00 11.31 H new ATOM 0 HD22 LEU A 53 -0.948 -11.273 6.205 1.00 11.31 H new ATOM 0 HD23 LEU A 53 -2.629 -11.629 5.743 1.00 11.31 H new ATOM 896 N LYS A 54 -3.416 -7.151 6.505 1.00 21.01 N ATOM 897 CA LYS A 54 -3.672 -5.762 6.873 1.00 54.31 C ATOM 898 C LYS A 54 -2.340 -5.028 7.038 1.00 13.10 C ATOM 899 O LYS A 54 -1.440 -5.496 7.743 1.00 12.42 O ATOM 900 CB LYS A 54 -4.488 -5.699 8.178 1.00 42.02 C ATOM 901 CG LYS A 54 -5.861 -6.401 8.102 1.00 63.44 C ATOM 902 CD LYS A 54 -6.679 -6.226 9.401 1.00 64.33 C ATOM 903 CE LYS A 54 -6.989 -4.758 9.717 1.00 61.25 C ATOM 904 NZ LYS A 54 -7.652 -4.594 11.033 1.00 50.03 N ATOM 0 H LYS A 54 -3.223 -7.757 7.302 1.00 21.01 H new ATOM 0 HA LYS A 54 -4.251 -5.279 6.085 1.00 54.31 H new ATOM 0 HB2 LYS A 54 -3.905 -6.152 8.980 1.00 42.02 H new ATOM 0 HB3 LYS A 54 -4.642 -4.654 8.447 1.00 42.02 H new ATOM 0 HG2 LYS A 54 -6.427 -5.999 7.262 1.00 63.44 H new ATOM 0 HG3 LYS A 54 -5.714 -7.463 7.908 1.00 63.44 H new ATOM 0 HD2 LYS A 54 -7.614 -6.779 9.313 1.00 64.33 H new ATOM 0 HD3 LYS A 54 -6.128 -6.663 10.233 1.00 64.33 H new ATOM 0 HE2 LYS A 54 -6.063 -4.183 9.705 1.00 61.25 H new ATOM 0 HE3 LYS A 54 -7.630 -4.348 8.936 1.00 61.25 H new ATOM 0 HZ1 LYS A 54 -7.842 -3.586 11.203 1.00 50.03 H new ATOM 0 HZ2 LYS A 54 -8.549 -5.121 11.038 1.00 50.03 H new ATOM 0 HZ3 LYS A 54 -7.031 -4.960 11.783 1.00 50.03 H new ATOM 918 N GLY A 55 -2.233 -3.902 6.342 1.00 34.02 N ATOM 919 CA GLY A 55 -1.093 -3.005 6.419 1.00 41.25 C ATOM 920 C GLY A 55 -1.540 -1.600 6.714 1.00 0.24 C ATOM 921 O GLY A 55 -2.738 -1.336 6.806 1.00 21.32 O ATOM 0 H GLY A 55 -2.954 -3.583 5.695 1.00 34.02 H new ATOM 0 HA2 GLY A 55 -0.409 -3.345 7.196 1.00 41.25 H new ATOM 0 HA3 GLY A 55 -0.543 -3.027 5.478 1.00 41.25 H new ATOM 925 N LYS A 56 -0.589 -0.686 6.860 1.00 31.14 N ATOM 926 CA LYS A 56 -0.891 0.720 7.135 1.00 30.14 C ATOM 927 C LYS A 56 0.183 1.600 6.532 1.00 2.23 C ATOM 928 O LYS A 56 1.376 1.294 6.650 1.00 11.12 O ATOM 929 CB LYS A 56 -1.027 0.959 8.660 1.00 62.24 C ATOM 930 CG LYS A 56 -1.174 2.449 9.076 1.00 1.44 C ATOM 931 CD LYS A 56 -1.755 2.621 10.492 1.00 51.53 C ATOM 932 CE LYS A 56 -3.191 2.081 10.588 1.00 43.14 C ATOM 933 NZ LYS A 56 -3.762 2.248 11.944 1.00 50.22 N ATOM 0 H LYS A 56 0.408 -0.892 6.792 1.00 31.14 H new ATOM 0 HA LYS A 56 -1.845 0.979 6.676 1.00 30.14 H new ATOM 0 HB2 LYS A 56 -1.894 0.408 9.024 1.00 62.24 H new ATOM 0 HB3 LYS A 56 -0.152 0.542 9.158 1.00 62.24 H new ATOM 0 HG2 LYS A 56 -0.198 2.932 9.028 1.00 1.44 H new ATOM 0 HG3 LYS A 56 -1.818 2.959 8.360 1.00 1.44 H new ATOM 0 HD2 LYS A 56 -1.122 2.100 11.211 1.00 51.53 H new ATOM 0 HD3 LYS A 56 -1.744 3.677 10.764 1.00 51.53 H new ATOM 0 HE2 LYS A 56 -3.821 2.598 9.864 1.00 43.14 H new ATOM 0 HE3 LYS A 56 -3.199 1.024 10.320 1.00 43.14 H new ATOM 0 HZ1 LYS A 56 -4.731 1.870 11.962 1.00 50.22 H new ATOM 0 HZ2 LYS A 56 -3.177 1.733 12.633 1.00 50.22 H new ATOM 0 HZ3 LYS A 56 -3.780 3.258 12.191 1.00 50.22 H new ATOM 947 N ILE A 57 -0.263 2.678 5.873 1.00 14.22 N ATOM 948 CA ILE A 57 0.614 3.681 5.279 1.00 2.32 C ATOM 949 C ILE A 57 1.335 4.446 6.411 1.00 74.25 C ATOM 950 O ILE A 57 0.779 5.364 7.020 1.00 21.40 O ATOM 951 CB ILE A 57 -0.214 4.652 4.356 1.00 51.32 C ATOM 952 CG1 ILE A 57 -0.931 3.830 3.235 1.00 12.30 C ATOM 953 CG2 ILE A 57 0.681 5.766 3.759 1.00 21.43 C ATOM 954 CD1 ILE A 57 -1.885 4.619 2.359 1.00 54.20 C ATOM 0 H ILE A 57 -1.255 2.875 5.739 1.00 14.22 H new ATOM 0 HA ILE A 57 1.363 3.200 4.650 1.00 2.32 H new ATOM 0 HB ILE A 57 -0.972 5.148 4.962 1.00 51.32 H new ATOM 0 HG12 ILE A 57 -0.171 3.376 2.599 1.00 12.30 H new ATOM 0 HG13 ILE A 57 -1.484 3.015 3.703 1.00 12.30 H new ATOM 0 HG21 ILE A 57 0.078 6.418 3.127 1.00 21.43 H new ATOM 0 HG22 ILE A 57 1.122 6.350 4.567 1.00 21.43 H new ATOM 0 HG23 ILE A 57 1.474 5.315 3.162 1.00 21.43 H new ATOM 0 HD11 ILE A 57 -2.328 3.957 1.615 1.00 54.20 H new ATOM 0 HD12 ILE A 57 -2.673 5.051 2.976 1.00 54.20 H new ATOM 0 HD13 ILE A 57 -1.340 5.417 1.855 1.00 54.20 H new ATOM 966 N VAL A 58 2.554 3.995 6.718 1.00 60.23 N ATOM 967 CA VAL A 58 3.368 4.541 7.822 1.00 12.23 C ATOM 968 C VAL A 58 4.216 5.720 7.337 1.00 65.13 C ATOM 969 O VAL A 58 4.592 6.595 8.125 1.00 34.22 O ATOM 970 CB VAL A 58 4.293 3.432 8.447 1.00 15.30 C ATOM 971 CG1 VAL A 58 3.447 2.305 9.089 1.00 63.02 C ATOM 972 CG2 VAL A 58 5.269 2.861 7.390 1.00 22.34 C ATOM 0 H VAL A 58 3.011 3.238 6.210 1.00 60.23 H new ATOM 0 HA VAL A 58 2.685 4.894 8.595 1.00 12.23 H new ATOM 0 HB VAL A 58 4.888 3.895 9.234 1.00 15.30 H new ATOM 0 HG11 VAL A 58 4.109 1.550 9.514 1.00 63.02 H new ATOM 0 HG12 VAL A 58 2.821 2.724 9.877 1.00 63.02 H new ATOM 0 HG13 VAL A 58 2.815 1.846 8.329 1.00 63.02 H new ATOM 0 HG21 VAL A 58 5.896 2.097 7.849 1.00 22.34 H new ATOM 0 HG22 VAL A 58 4.701 2.420 6.571 1.00 22.34 H new ATOM 0 HG23 VAL A 58 5.898 3.663 7.005 1.00 22.34 H new ATOM 982 N ARG A 59 4.498 5.737 6.027 1.00 44.31 N ATOM 983 CA ARG A 59 5.357 6.744 5.407 1.00 60.01 C ATOM 984 C ARG A 59 4.930 6.952 3.950 1.00 50.31 C ATOM 985 O ARG A 59 4.170 6.154 3.387 1.00 22.25 O ATOM 986 CB ARG A 59 6.856 6.307 5.482 1.00 24.24 C ATOM 987 CG ARG A 59 7.883 7.451 5.279 1.00 63.45 C ATOM 988 CD ARG A 59 7.760 8.530 6.377 1.00 52.12 C ATOM 989 NE ARG A 59 8.648 9.684 6.177 1.00 55.04 N ATOM 990 CZ ARG A 59 8.610 10.814 6.908 1.00 3.53 C ATOM 991 NH1 ARG A 59 7.741 10.955 7.914 1.00 3.31 N ATOM 992 NH2 ARG A 59 9.457 11.799 6.636 1.00 64.24 N ATOM 0 H ARG A 59 4.133 5.048 5.369 1.00 44.31 H new ATOM 0 HA ARG A 59 5.252 7.685 5.948 1.00 60.01 H new ATOM 0 HB2 ARG A 59 7.036 5.845 6.453 1.00 24.24 H new ATOM 0 HB3 ARG A 59 7.034 5.541 4.727 1.00 24.24 H new ATOM 0 HG2 ARG A 59 8.892 7.039 5.285 1.00 63.45 H new ATOM 0 HG3 ARG A 59 7.731 7.908 4.301 1.00 63.45 H new ATOM 0 HD2 ARG A 59 6.728 8.880 6.416 1.00 52.12 H new ATOM 0 HD3 ARG A 59 7.980 8.078 7.344 1.00 52.12 H new ATOM 0 HE ARG A 59 9.342 9.625 5.432 1.00 55.04 H new ATOM 0 HH11 ARG A 59 7.093 10.200 8.138 1.00 3.31 H new ATOM 0 HH12 ARG A 59 7.726 11.818 8.458 1.00 3.31 H new ATOM 0 HH21 ARG A 59 10.131 11.697 5.877 1.00 64.24 H new ATOM 0 HH22 ARG A 59 9.434 12.658 7.186 1.00 64.24 H new ATOM 1006 N VAL A 60 5.396 8.057 3.364 1.00 14.13 N ATOM 1007 CA VAL A 60 5.277 8.320 1.924 1.00 55.23 C ATOM 1008 C VAL A 60 6.538 7.797 1.220 1.00 15.34 C ATOM 1009 O VAL A 60 7.537 7.451 1.873 1.00 31.22 O ATOM 1010 CB VAL A 60 5.090 9.860 1.629 1.00 22.20 C ATOM 1011 CG1 VAL A 60 3.825 10.398 2.311 1.00 52.24 C ATOM 1012 CG2 VAL A 60 6.317 10.685 2.069 1.00 64.11 C ATOM 0 H VAL A 60 5.870 8.801 3.877 1.00 14.13 H new ATOM 0 HA VAL A 60 4.393 7.806 1.546 1.00 55.23 H new ATOM 0 HB VAL A 60 4.985 9.966 0.549 1.00 22.20 H new ATOM 0 HG11 VAL A 60 3.718 11.461 2.093 1.00 52.24 H new ATOM 0 HG12 VAL A 60 2.953 9.861 1.936 1.00 52.24 H new ATOM 0 HG13 VAL A 60 3.904 10.255 3.389 1.00 52.24 H new ATOM 0 HG21 VAL A 60 6.146 11.738 1.848 1.00 64.11 H new ATOM 0 HG22 VAL A 60 6.474 10.560 3.140 1.00 64.11 H new ATOM 0 HG23 VAL A 60 7.200 10.340 1.530 1.00 64.11 H new ATOM 1022 N HIS A 61 6.486 7.741 -0.103 1.00 0.23 N ATOM 1023 CA HIS A 61 7.588 7.242 -0.925 1.00 13.32 C ATOM 1024 C HIS A 61 7.683 8.094 -2.195 1.00 31.22 C ATOM 1025 O HIS A 61 6.864 7.955 -3.112 1.00 54.22 O ATOM 1026 CB HIS A 61 7.363 5.738 -1.242 1.00 32.34 C ATOM 1027 CG HIS A 61 8.445 5.099 -2.066 1.00 11.00 C ATOM 1028 ND1 HIS A 61 8.184 4.279 -3.142 1.00 65.45 N ATOM 1029 CD2 HIS A 61 9.796 5.135 -1.953 1.00 63.23 C ATOM 1030 CE1 HIS A 61 9.316 3.841 -3.642 1.00 75.42 C ATOM 1031 NE2 HIS A 61 10.307 4.346 -2.946 1.00 22.05 N ATOM 0 H HIS A 61 5.675 8.041 -0.643 1.00 0.23 H new ATOM 0 HA HIS A 61 8.535 7.322 -0.392 1.00 13.32 H new ATOM 0 HB2 HIS A 61 7.271 5.193 -0.303 1.00 32.34 H new ATOM 0 HB3 HIS A 61 6.414 5.630 -1.767 1.00 32.34 H new ATOM 0 HD2 HIS A 61 10.363 5.685 -1.216 1.00 63.23 H new ATOM 0 HE1 HIS A 61 9.415 3.175 -4.487 1.00 75.42 H new ATOM 0 HE2 HIS A 61 11.298 4.177 -3.118 1.00 22.05 H new ATOM 1040 N GLY A 62 8.685 8.995 -2.215 1.00 54.13 N ATOM 1041 CA GLY A 62 8.922 9.881 -3.348 1.00 44.35 C ATOM 1042 C GLY A 62 7.862 10.971 -3.503 1.00 31.23 C ATOM 1043 O GLY A 62 6.997 11.161 -2.633 1.00 25.02 O ATOM 0 H GLY A 62 9.343 9.121 -1.446 1.00 54.13 H new ATOM 0 HA2 GLY A 62 9.899 10.350 -3.234 1.00 44.35 H new ATOM 0 HA3 GLY A 62 8.958 9.288 -4.262 1.00 44.35 H new ATOM 1047 N THR A 63 7.949 11.683 -4.627 1.00 21.11 N ATOM 1048 CA THR A 63 6.986 12.730 -5.015 1.00 11.15 C ATOM 1049 C THR A 63 5.886 12.169 -5.945 1.00 11.41 C ATOM 1050 O THR A 63 4.970 12.891 -6.344 1.00 64.12 O ATOM 1051 CB THR A 63 7.744 13.897 -5.724 1.00 22.44 C ATOM 1052 OG1 THR A 63 8.484 13.376 -6.841 1.00 53.24 O ATOM 1053 CG2 THR A 63 8.706 14.625 -4.763 1.00 10.22 C ATOM 0 H THR A 63 8.698 11.552 -5.307 1.00 21.11 H new ATOM 0 HA THR A 63 6.500 13.101 -4.113 1.00 11.15 H new ATOM 0 HB THR A 63 7.003 14.620 -6.064 1.00 22.44 H new ATOM 0 HG1 THR A 63 8.959 14.107 -7.288 1.00 53.24 H new ATOM 0 HG21 THR A 63 9.213 15.429 -5.296 1.00 10.22 H new ATOM 0 HG22 THR A 63 8.141 15.042 -3.929 1.00 10.22 H new ATOM 0 HG23 THR A 63 9.445 13.919 -4.384 1.00 10.22 H new ATOM 1061 N LYS A 64 5.974 10.855 -6.244 1.00 0.33 N ATOM 1062 CA LYS A 64 5.104 10.157 -7.220 1.00 70.35 C ATOM 1063 C LYS A 64 3.744 9.781 -6.606 1.00 43.04 C ATOM 1064 O LYS A 64 2.911 9.158 -7.278 1.00 40.21 O ATOM 1065 CB LYS A 64 5.839 8.882 -7.761 1.00 10.03 C ATOM 1066 CG LYS A 64 6.951 9.149 -8.812 1.00 44.22 C ATOM 1067 CD LYS A 64 8.134 9.994 -8.277 1.00 2.42 C ATOM 1068 CE LYS A 64 9.119 10.383 -9.390 1.00 54.45 C ATOM 1069 NZ LYS A 64 8.445 11.116 -10.503 1.00 21.32 N ATOM 0 H LYS A 64 6.661 10.239 -5.809 1.00 0.33 H new ATOM 0 HA LYS A 64 4.904 10.838 -8.047 1.00 70.35 H new ATOM 0 HB2 LYS A 64 6.280 8.352 -6.917 1.00 10.03 H new ATOM 0 HB3 LYS A 64 5.098 8.216 -8.203 1.00 10.03 H new ATOM 0 HG2 LYS A 64 7.334 8.194 -9.172 1.00 44.22 H new ATOM 0 HG3 LYS A 64 6.512 9.659 -9.669 1.00 44.22 H new ATOM 0 HD2 LYS A 64 7.749 10.897 -7.803 1.00 2.42 H new ATOM 0 HD3 LYS A 64 8.662 9.431 -7.507 1.00 2.42 H new ATOM 0 HE2 LYS A 64 9.910 11.006 -8.973 1.00 54.45 H new ATOM 0 HE3 LYS A 64 9.595 9.485 -9.783 1.00 54.45 H new ATOM 0 HZ1 LYS A 64 9.158 11.619 -11.069 1.00 21.32 H new ATOM 0 HZ2 LYS A 64 7.938 10.439 -11.108 1.00 21.32 H new ATOM 0 HZ3 LYS A 64 7.770 11.801 -10.108 1.00 21.32 H new ATOM 1083 N GLY A 65 3.528 10.165 -5.327 1.00 21.41 N ATOM 1084 CA GLY A 65 2.306 9.830 -4.606 1.00 43.51 C ATOM 1085 C GLY A 65 2.291 8.404 -4.093 1.00 13.41 C ATOM 1086 O GLY A 65 1.269 7.944 -3.576 1.00 55.35 O ATOM 0 H GLY A 65 4.196 10.710 -4.782 1.00 21.41 H new ATOM 0 HA2 GLY A 65 2.188 10.514 -3.765 1.00 43.51 H new ATOM 0 HA3 GLY A 65 1.450 9.983 -5.263 1.00 43.51 H new ATOM 1090 N ALA A 66 3.430 7.705 -4.241 1.00 54.43 N ATOM 1091 CA ALA A 66 3.593 6.339 -3.757 1.00 31.11 C ATOM 1092 C ALA A 66 3.659 6.326 -2.222 1.00 42.00 C ATOM 1093 O ALA A 66 4.135 7.285 -1.603 1.00 21.42 O ATOM 1094 CB ALA A 66 4.843 5.698 -4.384 1.00 30.34 C ATOM 0 H ALA A 66 4.260 8.079 -4.701 1.00 54.43 H new ATOM 0 HA ALA A 66 2.730 5.745 -4.058 1.00 31.11 H new ATOM 0 HB1 ALA A 66 4.953 4.678 -4.014 1.00 30.34 H new ATOM 0 HB2 ALA A 66 4.738 5.681 -5.469 1.00 30.34 H new ATOM 0 HB3 ALA A 66 5.725 6.279 -4.114 1.00 30.34 H new ATOM 1100 N VAL A 67 3.156 5.245 -1.619 1.00 11.22 N ATOM 1101 CA VAL A 67 3.049 5.101 -0.159 1.00 43.22 C ATOM 1102 C VAL A 67 3.822 3.858 0.326 1.00 3.30 C ATOM 1103 O VAL A 67 3.815 2.802 -0.329 1.00 71.11 O ATOM 1104 CB VAL A 67 1.540 5.008 0.283 1.00 51.23 C ATOM 1105 CG1 VAL A 67 0.788 6.324 -0.011 1.00 15.31 C ATOM 1106 CG2 VAL A 67 0.819 3.800 -0.378 1.00 35.11 C ATOM 0 H VAL A 67 2.807 4.436 -2.133 1.00 11.22 H new ATOM 0 HA VAL A 67 3.492 5.985 0.299 1.00 43.22 H new ATOM 0 HB VAL A 67 1.531 4.847 1.361 1.00 51.23 H new ATOM 0 HG11 VAL A 67 -0.251 6.228 0.305 1.00 15.31 H new ATOM 0 HG12 VAL A 67 1.259 7.142 0.534 1.00 15.31 H new ATOM 0 HG13 VAL A 67 0.824 6.532 -1.080 1.00 15.31 H new ATOM 0 HG21 VAL A 67 -0.219 3.771 -0.048 1.00 35.11 H new ATOM 0 HG22 VAL A 67 0.852 3.905 -1.462 1.00 35.11 H new ATOM 0 HG23 VAL A 67 1.318 2.875 -0.088 1.00 35.11 H new ATOM 1116 N ARG A 68 4.499 3.986 1.471 1.00 54.45 N ATOM 1117 CA ARG A 68 5.205 2.867 2.106 1.00 0.32 C ATOM 1118 C ARG A 68 4.306 2.306 3.220 1.00 44.41 C ATOM 1119 O ARG A 68 4.138 2.928 4.281 1.00 3.22 O ATOM 1120 CB ARG A 68 6.580 3.325 2.674 1.00 74.31 C ATOM 1121 CG ARG A 68 7.452 2.158 3.194 1.00 41.12 C ATOM 1122 CD ARG A 68 8.799 2.608 3.787 1.00 71.32 C ATOM 1123 NE ARG A 68 8.657 3.302 5.082 1.00 43.12 N ATOM 1124 CZ ARG A 68 9.655 3.941 5.719 1.00 33.44 C ATOM 1125 NH1 ARG A 68 10.878 3.991 5.189 1.00 62.31 N ATOM 1126 NH2 ARG A 68 9.433 4.502 6.901 1.00 33.24 N ATOM 0 H ARG A 68 4.574 4.865 1.983 1.00 54.45 H new ATOM 0 HA ARG A 68 5.410 2.091 1.369 1.00 0.32 H new ATOM 0 HB2 ARG A 68 7.126 3.858 1.896 1.00 74.31 H new ATOM 0 HB3 ARG A 68 6.411 4.032 3.486 1.00 74.31 H new ATOM 0 HG2 ARG A 68 6.895 1.611 3.955 1.00 41.12 H new ATOM 0 HG3 ARG A 68 7.640 1.463 2.375 1.00 41.12 H new ATOM 0 HD2 ARG A 68 9.442 1.737 3.917 1.00 71.32 H new ATOM 0 HD3 ARG A 68 9.298 3.270 3.079 1.00 71.32 H new ATOM 0 HE ARG A 68 7.738 3.297 5.525 1.00 43.12 H new ATOM 0 HH11 ARG A 68 11.064 3.542 4.292 1.00 62.31 H new ATOM 0 HH12 ARG A 68 11.627 4.478 5.681 1.00 62.31 H new ATOM 0 HH21 ARG A 68 8.507 4.448 7.325 1.00 33.24 H new ATOM 0 HH22 ARG A 68 10.188 4.987 7.385 1.00 33.24 H new ATOM 1140 N ALA A 69 3.692 1.149 2.943 1.00 60.03 N ATOM 1141 CA ALA A 69 2.739 0.499 3.852 1.00 32.35 C ATOM 1142 C ALA A 69 3.382 -0.733 4.498 1.00 70.24 C ATOM 1143 O ALA A 69 3.914 -1.594 3.795 1.00 12.04 O ATOM 1144 CB ALA A 69 1.455 0.124 3.095 1.00 21.40 C ATOM 0 H ALA A 69 3.843 0.634 2.076 1.00 60.03 H new ATOM 0 HA ALA A 69 2.471 1.196 4.646 1.00 32.35 H new ATOM 0 HB1 ALA A 69 0.756 -0.357 3.780 1.00 21.40 H new ATOM 0 HB2 ALA A 69 0.999 1.025 2.684 1.00 21.40 H new ATOM 0 HB3 ALA A 69 1.698 -0.562 2.283 1.00 21.40 H new ATOM 1150 N ARG A 70 3.358 -0.800 5.839 1.00 63.25 N ATOM 1151 CA ARG A 70 3.884 -1.952 6.591 1.00 74.22 C ATOM 1152 C ARG A 70 2.737 -2.845 7.052 1.00 40.31 C ATOM 1153 O ARG A 70 1.798 -2.375 7.700 1.00 61.13 O ATOM 1154 CB ARG A 70 4.739 -1.503 7.796 1.00 22.13 C ATOM 1155 CG ARG A 70 6.018 -0.744 7.394 1.00 4.25 C ATOM 1156 CD ARG A 70 6.957 -0.521 8.582 1.00 41.41 C ATOM 1157 NE ARG A 70 7.478 -1.791 9.113 1.00 53.53 N ATOM 1158 CZ ARG A 70 8.227 -1.915 10.215 1.00 45.11 C ATOM 1159 NH1 ARG A 70 8.559 -0.857 10.943 1.00 13.12 N ATOM 1160 NH2 ARG A 70 8.646 -3.115 10.586 1.00 72.25 N ATOM 0 H ARG A 70 2.976 -0.062 6.430 1.00 63.25 H new ATOM 0 HA ARG A 70 4.532 -2.520 5.924 1.00 74.22 H new ATOM 0 HB2 ARG A 70 4.136 -0.865 8.442 1.00 22.13 H new ATOM 0 HB3 ARG A 70 5.015 -2.380 8.382 1.00 22.13 H new ATOM 0 HG2 ARG A 70 6.542 -1.304 6.619 1.00 4.25 H new ATOM 0 HG3 ARG A 70 5.746 0.219 6.962 1.00 4.25 H new ATOM 0 HD2 ARG A 70 7.789 0.113 8.274 1.00 41.41 H new ATOM 0 HD3 ARG A 70 6.425 0.012 9.370 1.00 41.41 H new ATOM 0 HE ARG A 70 7.250 -2.643 8.601 1.00 53.53 H new ATOM 0 HH11 ARG A 70 8.242 0.072 10.666 1.00 13.12 H new ATOM 0 HH12 ARG A 70 9.131 -0.973 11.780 1.00 13.12 H new ATOM 0 HH21 ARG A 70 8.397 -3.935 10.033 1.00 72.25 H new ATOM 0 HH22 ARG A 70 9.217 -3.219 11.425 1.00 72.25 H new ATOM 1174 N PHE A 71 2.833 -4.133 6.708 1.00 33.34 N ATOM 1175 CA PHE A 71 1.812 -5.138 7.005 1.00 44.11 C ATOM 1176 C PHE A 71 2.130 -5.848 8.322 1.00 42.51 C ATOM 1177 O PHE A 71 3.236 -6.377 8.499 1.00 72.14 O ATOM 1178 CB PHE A 71 1.690 -6.124 5.811 1.00 33.24 C ATOM 1179 CG PHE A 71 0.957 -5.508 4.614 1.00 14.25 C ATOM 1180 CD1 PHE A 71 1.472 -4.394 3.943 1.00 13.23 C ATOM 1181 CD2 PHE A 71 -0.267 -6.017 4.191 1.00 53.11 C ATOM 1182 CE1 PHE A 71 0.779 -3.812 2.896 1.00 21.54 C ATOM 1183 CE2 PHE A 71 -0.951 -5.440 3.141 1.00 10.04 C ATOM 1184 CZ PHE A 71 -0.429 -4.341 2.494 1.00 53.34 C ATOM 0 H PHE A 71 3.637 -4.511 6.207 1.00 33.34 H new ATOM 0 HA PHE A 71 0.843 -4.655 7.135 1.00 44.11 H new ATOM 0 HB2 PHE A 71 2.686 -6.438 5.500 1.00 33.24 H new ATOM 0 HB3 PHE A 71 1.160 -7.019 6.136 1.00 33.24 H new ATOM 0 HD1 PHE A 71 2.423 -3.982 4.246 1.00 13.23 H new ATOM 0 HD2 PHE A 71 -0.688 -6.876 4.692 1.00 53.11 H new ATOM 0 HE1 PHE A 71 1.184 -2.945 2.395 1.00 21.54 H new ATOM 0 HE2 PHE A 71 -1.899 -5.851 2.825 1.00 10.04 H new ATOM 0 HZ PHE A 71 -0.967 -3.894 1.671 1.00 53.34 H new ATOM 1194 N GLU A 72 1.134 -5.846 9.232 1.00 12.33 N ATOM 1195 CA GLU A 72 1.246 -6.417 10.587 1.00 1.34 C ATOM 1196 C GLU A 72 1.542 -7.929 10.549 1.00 73.12 C ATOM 1197 O GLU A 72 2.167 -8.476 11.463 1.00 32.43 O ATOM 1198 CB GLU A 72 -0.055 -6.133 11.388 1.00 70.42 C ATOM 1199 CG GLU A 72 -1.327 -6.779 10.800 1.00 25.22 C ATOM 1200 CD GLU A 72 -2.574 -6.525 11.650 1.00 30.42 C ATOM 1201 OE1 GLU A 72 -2.842 -7.308 12.583 1.00 21.52 O ATOM 1202 OE2 GLU A 72 -3.284 -5.536 11.406 1.00 74.20 O ATOM 0 H GLU A 72 0.217 -5.442 9.042 1.00 12.33 H new ATOM 0 HA GLU A 72 2.088 -5.937 11.087 1.00 1.34 H new ATOM 0 HB2 GLU A 72 0.078 -6.489 12.410 1.00 70.42 H new ATOM 0 HB3 GLU A 72 -0.204 -5.055 11.443 1.00 70.42 H new ATOM 0 HG2 GLU A 72 -1.494 -6.391 9.795 1.00 25.22 H new ATOM 0 HG3 GLU A 72 -1.171 -7.854 10.705 1.00 25.22 H new ATOM 1209 N LYS A 73 1.081 -8.589 9.483 1.00 51.24 N ATOM 1210 CA LYS A 73 1.327 -10.017 9.257 1.00 74.41 C ATOM 1211 C LYS A 73 2.453 -10.166 8.234 1.00 34.22 C ATOM 1212 O LYS A 73 3.566 -10.577 8.578 1.00 61.32 O ATOM 1213 CB LYS A 73 0.028 -10.710 8.775 1.00 1.24 C ATOM 1214 CG LYS A 73 -1.168 -10.543 9.739 1.00 70.31 C ATOM 1215 CD LYS A 73 -0.923 -11.144 11.145 1.00 43.34 C ATOM 1216 CE LYS A 73 -0.877 -12.680 11.135 1.00 60.13 C ATOM 1217 NZ LYS A 73 -2.185 -13.265 10.746 1.00 74.13 N ATOM 0 H LYS A 73 0.525 -8.148 8.750 1.00 51.24 H new ATOM 0 HA LYS A 73 1.630 -10.499 10.186 1.00 74.41 H new ATOM 0 HB2 LYS A 73 -0.246 -10.308 7.800 1.00 1.24 H new ATOM 0 HB3 LYS A 73 0.225 -11.773 8.638 1.00 1.24 H new ATOM 0 HG2 LYS A 73 -1.395 -9.482 9.842 1.00 70.31 H new ATOM 0 HG3 LYS A 73 -2.046 -11.016 9.299 1.00 70.31 H new ATOM 0 HD2 LYS A 73 0.017 -10.759 11.541 1.00 43.34 H new ATOM 0 HD3 LYS A 73 -1.713 -10.813 11.820 1.00 43.34 H new ATOM 0 HE2 LYS A 73 -0.107 -13.017 10.441 1.00 60.13 H new ATOM 0 HE3 LYS A 73 -0.596 -13.042 12.124 1.00 60.13 H new ATOM 0 HZ1 LYS A 73 -2.181 -14.286 10.944 1.00 74.13 H new ATOM 0 HZ2 LYS A 73 -2.945 -12.809 11.291 1.00 74.13 H new ATOM 0 HZ3 LYS A 73 -2.346 -13.110 9.730 1.00 74.13 H new ATOM 1231 N GLY A 74 2.161 -9.774 6.978 1.00 44.31 N ATOM 1232 CA GLY A 74 3.135 -9.865 5.898 1.00 30.42 C ATOM 1233 C GLY A 74 3.536 -11.305 5.582 1.00 64.25 C ATOM 1234 O GLY A 74 4.713 -11.662 5.666 1.00 64.41 O ATOM 0 H GLY A 74 1.257 -9.393 6.697 1.00 44.31 H new ATOM 0 HA2 GLY A 74 2.721 -9.403 5.002 1.00 30.42 H new ATOM 0 HA3 GLY A 74 4.025 -9.296 6.168 1.00 30.42 H new ATOM 1238 N LEU A 75 2.535 -12.143 5.269 1.00 44.43 N ATOM 1239 CA LEU A 75 2.742 -13.533 4.811 1.00 12.34 C ATOM 1240 C LEU A 75 3.383 -13.561 3.397 1.00 21.13 C ATOM 1241 O LEU A 75 3.279 -12.578 2.652 1.00 63.12 O ATOM 1242 CB LEU A 75 1.377 -14.294 4.803 1.00 60.55 C ATOM 1243 CG LEU A 75 0.785 -14.668 6.199 1.00 51.42 C ATOM 1244 CD1 LEU A 75 -0.610 -15.307 6.056 1.00 43.25 C ATOM 1245 CD2 LEU A 75 1.740 -15.609 6.964 1.00 72.22 C ATOM 0 H LEU A 75 1.552 -11.877 5.326 1.00 44.43 H new ATOM 0 HA LEU A 75 3.426 -14.029 5.500 1.00 12.34 H new ATOM 0 HB2 LEU A 75 0.647 -13.681 4.275 1.00 60.55 H new ATOM 0 HB3 LEU A 75 1.500 -15.211 4.227 1.00 60.55 H new ATOM 0 HG LEU A 75 0.677 -13.749 6.774 1.00 51.42 H new ATOM 0 HD11 LEU A 75 -0.998 -15.557 7.043 1.00 43.25 H new ATOM 0 HD12 LEU A 75 -1.284 -14.603 5.569 1.00 43.25 H new ATOM 0 HD13 LEU A 75 -0.535 -16.213 5.455 1.00 43.25 H new ATOM 0 HD21 LEU A 75 1.308 -15.856 7.933 1.00 72.22 H new ATOM 0 HD22 LEU A 75 1.888 -16.523 6.389 1.00 72.22 H new ATOM 0 HD23 LEU A 75 2.699 -15.113 7.111 1.00 72.22 H new ATOM 1257 N PRO A 76 4.080 -14.683 3.025 1.00 45.44 N ATOM 1258 CA PRO A 76 4.680 -14.851 1.675 1.00 32.34 C ATOM 1259 C PRO A 76 3.621 -14.825 0.542 1.00 20.24 C ATOM 1260 O PRO A 76 2.516 -15.380 0.684 1.00 45.35 O ATOM 1261 CB PRO A 76 5.392 -16.232 1.771 1.00 15.11 C ATOM 1262 CG PRO A 76 4.718 -16.944 2.906 1.00 42.03 C ATOM 1263 CD PRO A 76 4.366 -15.861 3.894 1.00 21.21 C ATOM 0 HA PRO A 76 5.357 -14.036 1.418 1.00 32.34 H new ATOM 0 HB2 PRO A 76 5.293 -16.792 0.841 1.00 15.11 H new ATOM 0 HB3 PRO A 76 6.459 -16.113 1.959 1.00 15.11 H new ATOM 0 HG2 PRO A 76 3.827 -17.473 2.567 1.00 42.03 H new ATOM 0 HG3 PRO A 76 5.379 -17.687 3.354 1.00 42.03 H new ATOM 0 HD2 PRO A 76 3.501 -16.134 4.499 1.00 21.21 H new ATOM 0 HD3 PRO A 76 5.187 -15.663 4.583 1.00 21.21 H new ATOM 1271 N GLY A 77 3.971 -14.150 -0.565 1.00 74.01 N ATOM 1272 CA GLY A 77 3.103 -14.051 -1.728 1.00 50.44 C ATOM 1273 C GLY A 77 3.586 -13.003 -2.718 1.00 3.42 C ATOM 1274 O GLY A 77 4.041 -11.930 -2.312 1.00 53.51 O ATOM 0 H GLY A 77 4.861 -13.663 -0.669 1.00 74.01 H new ATOM 0 HA2 GLY A 77 3.051 -15.020 -2.224 1.00 50.44 H new ATOM 0 HA3 GLY A 77 2.092 -13.804 -1.405 1.00 50.44 H new ATOM 1278 N GLN A 78 3.475 -13.311 -4.019 1.00 41.43 N ATOM 1279 CA GLN A 78 3.923 -12.431 -5.114 1.00 22.20 C ATOM 1280 C GLN A 78 2.726 -12.101 -6.027 1.00 42.30 C ATOM 1281 O GLN A 78 2.320 -12.909 -6.864 1.00 35.00 O ATOM 1282 CB GLN A 78 5.069 -13.111 -5.907 1.00 74.41 C ATOM 1283 CG GLN A 78 5.574 -12.311 -7.128 1.00 43.32 C ATOM 1284 CD GLN A 78 6.664 -13.045 -7.898 1.00 4.21 C ATOM 1285 OE1 GLN A 78 7.857 -12.869 -7.637 1.00 31.41 O ATOM 1286 NE2 GLN A 78 6.263 -13.892 -8.836 1.00 72.34 N ATOM 0 H GLN A 78 3.068 -14.187 -4.346 1.00 41.43 H new ATOM 0 HA GLN A 78 4.311 -11.498 -4.704 1.00 22.20 H new ATOM 0 HB2 GLN A 78 5.907 -13.284 -5.232 1.00 74.41 H new ATOM 0 HB3 GLN A 78 4.727 -14.088 -6.247 1.00 74.41 H new ATOM 0 HG2 GLN A 78 4.737 -12.107 -7.796 1.00 43.32 H new ATOM 0 HG3 GLN A 78 5.957 -11.347 -6.793 1.00 43.32 H new ATOM 0 HE21 GLN A 78 5.268 -14.011 -9.024 1.00 72.34 H new ATOM 0 HE22 GLN A 78 6.950 -14.425 -9.370 1.00 72.34 H new ATOM 1295 N ALA A 79 2.124 -10.944 -5.787 1.00 62.11 N ATOM 1296 CA ALA A 79 0.970 -10.424 -6.543 1.00 22.22 C ATOM 1297 C ALA A 79 1.307 -9.074 -7.199 1.00 32.03 C ATOM 1298 O ALA A 79 0.426 -8.232 -7.332 1.00 20.00 O ATOM 1299 CB ALA A 79 -0.258 -10.329 -5.624 1.00 23.12 C ATOM 0 H ALA A 79 2.426 -10.316 -5.042 1.00 62.11 H new ATOM 0 HA ALA A 79 0.731 -11.116 -7.350 1.00 22.22 H new ATOM 0 HB1 ALA A 79 -1.107 -9.944 -6.189 1.00 23.12 H new ATOM 0 HB2 ALA A 79 -0.499 -11.319 -5.236 1.00 23.12 H new ATOM 0 HB3 ALA A 79 -0.040 -9.657 -4.794 1.00 23.12 H new ATOM 1305 N LEU A 80 2.592 -8.856 -7.558 1.00 2.24 N ATOM 1306 CA LEU A 80 3.058 -7.624 -8.267 1.00 62.32 C ATOM 1307 C LEU A 80 2.119 -7.231 -9.444 1.00 52.42 C ATOM 1308 O LEU A 80 1.986 -7.983 -10.418 1.00 20.34 O ATOM 1309 CB LEU A 80 4.504 -7.817 -8.805 1.00 51.30 C ATOM 1310 CG LEU A 80 5.605 -8.179 -7.760 1.00 45.24 C ATOM 1311 CD1 LEU A 80 6.990 -8.299 -8.433 1.00 24.23 C ATOM 1312 CD2 LEU A 80 5.635 -7.160 -6.603 1.00 52.11 C ATOM 0 H LEU A 80 3.341 -9.523 -7.369 1.00 2.24 H new ATOM 0 HA LEU A 80 3.041 -6.816 -7.536 1.00 62.32 H new ATOM 0 HB2 LEU A 80 4.483 -8.602 -9.561 1.00 51.30 H new ATOM 0 HB3 LEU A 80 4.804 -6.898 -9.309 1.00 51.30 H new ATOM 0 HG LEU A 80 5.354 -9.151 -7.336 1.00 45.24 H new ATOM 0 HD11 LEU A 80 7.739 -8.552 -7.682 1.00 24.23 H new ATOM 0 HD12 LEU A 80 6.959 -9.080 -9.192 1.00 24.23 H new ATOM 0 HD13 LEU A 80 7.251 -7.349 -8.900 1.00 24.23 H new ATOM 0 HD21 LEU A 80 6.412 -7.440 -5.892 1.00 52.11 H new ATOM 0 HD22 LEU A 80 5.846 -6.166 -6.999 1.00 52.11 H new ATOM 0 HD23 LEU A 80 4.668 -7.153 -6.100 1.00 52.11 H new ATOM 1324 N GLY A 81 1.438 -6.075 -9.308 1.00 42.13 N ATOM 1325 CA GLY A 81 0.475 -5.587 -10.316 1.00 70.52 C ATOM 1326 C GLY A 81 -0.965 -5.544 -9.805 1.00 70.45 C ATOM 1327 O GLY A 81 -1.819 -4.887 -10.408 1.00 14.11 O ATOM 0 H GLY A 81 1.539 -5.457 -8.502 1.00 42.13 H new ATOM 0 HA2 GLY A 81 0.770 -4.588 -10.636 1.00 70.52 H new ATOM 0 HA3 GLY A 81 0.522 -6.230 -11.195 1.00 70.52 H new ATOM 1331 N ASP A 82 -1.216 -6.233 -8.681 1.00 34.22 N ATOM 1332 CA ASP A 82 -2.559 -6.361 -8.065 1.00 53.12 C ATOM 1333 C ASP A 82 -2.979 -5.074 -7.329 1.00 63.20 C ATOM 1334 O ASP A 82 -2.140 -4.248 -6.972 1.00 42.42 O ATOM 1335 CB ASP A 82 -2.554 -7.597 -7.122 1.00 65.04 C ATOM 1336 CG ASP A 82 -3.779 -7.723 -6.207 1.00 64.01 C ATOM 1337 OD1 ASP A 82 -4.879 -8.038 -6.696 1.00 21.21 O ATOM 1338 OD2 ASP A 82 -3.638 -7.520 -4.994 1.00 13.41 O ATOM 0 H ASP A 82 -0.488 -6.725 -8.163 1.00 34.22 H new ATOM 0 HA ASP A 82 -3.303 -6.509 -8.847 1.00 53.12 H new ATOM 0 HB2 ASP A 82 -2.480 -8.498 -7.730 1.00 65.04 H new ATOM 0 HB3 ASP A 82 -1.659 -7.557 -6.501 1.00 65.04 H new ATOM 1343 N TYR A 83 -4.299 -4.915 -7.123 1.00 43.55 N ATOM 1344 CA TYR A 83 -4.893 -3.716 -6.517 1.00 41.13 C ATOM 1345 C TYR A 83 -5.230 -3.960 -5.040 1.00 61.43 C ATOM 1346 O TYR A 83 -5.922 -4.927 -4.702 1.00 54.05 O ATOM 1347 CB TYR A 83 -6.162 -3.302 -7.305 1.00 61.22 C ATOM 1348 CG TYR A 83 -5.857 -2.780 -8.722 1.00 75.25 C ATOM 1349 CD1 TYR A 83 -5.406 -3.642 -9.733 1.00 50.04 C ATOM 1350 CD2 TYR A 83 -6.002 -1.429 -9.049 1.00 12.15 C ATOM 1351 CE1 TYR A 83 -5.110 -3.176 -11.001 1.00 22.01 C ATOM 1352 CE2 TYR A 83 -5.710 -0.962 -10.320 1.00 70.15 C ATOM 1353 CZ TYR A 83 -5.265 -1.841 -11.291 1.00 40.41 C ATOM 1354 OH TYR A 83 -4.967 -1.374 -12.556 1.00 11.31 O ATOM 0 H TYR A 83 -4.987 -5.624 -7.376 1.00 43.55 H new ATOM 0 HA TYR A 83 -4.167 -2.905 -6.565 1.00 41.13 H new ATOM 0 HB2 TYR A 83 -6.832 -4.159 -7.377 1.00 61.22 H new ATOM 0 HB3 TYR A 83 -6.692 -2.530 -6.747 1.00 61.22 H new ATOM 0 HD1 TYR A 83 -5.287 -4.693 -9.516 1.00 50.04 H new ATOM 0 HD2 TYR A 83 -6.348 -0.736 -8.297 1.00 12.15 H new ATOM 0 HE1 TYR A 83 -4.758 -3.858 -11.761 1.00 22.01 H new ATOM 0 HE2 TYR A 83 -5.829 0.086 -10.552 1.00 70.15 H new ATOM 0 HH TYR A 83 -5.132 -0.409 -12.596 1.00 11.31 H new ATOM 1364 N VAL A 84 -4.740 -3.066 -4.182 1.00 34.31 N ATOM 1365 CA VAL A 84 -5.013 -3.073 -2.740 1.00 12.34 C ATOM 1366 C VAL A 84 -6.097 -2.032 -2.439 1.00 1.31 C ATOM 1367 O VAL A 84 -6.309 -1.093 -3.229 1.00 21.41 O ATOM 1368 CB VAL A 84 -3.717 -2.764 -1.900 1.00 31.41 C ATOM 1369 CG1 VAL A 84 -2.566 -3.713 -2.294 1.00 54.42 C ATOM 1370 CG2 VAL A 84 -3.275 -1.292 -2.038 1.00 74.23 C ATOM 0 H VAL A 84 -4.131 -2.301 -4.472 1.00 34.31 H new ATOM 0 HA VAL A 84 -5.354 -4.068 -2.454 1.00 12.34 H new ATOM 0 HB VAL A 84 -3.967 -2.934 -0.853 1.00 31.41 H new ATOM 0 HG11 VAL A 84 -1.682 -3.479 -1.700 1.00 54.42 H new ATOM 0 HG12 VAL A 84 -2.865 -4.745 -2.109 1.00 54.42 H new ATOM 0 HG13 VAL A 84 -2.336 -3.586 -3.352 1.00 54.42 H new ATOM 0 HG21 VAL A 84 -2.378 -1.124 -1.442 1.00 74.23 H new ATOM 0 HG22 VAL A 84 -3.062 -1.073 -3.084 1.00 74.23 H new ATOM 0 HG23 VAL A 84 -4.072 -0.638 -1.685 1.00 74.23 H new ATOM 1380 N GLU A 85 -6.773 -2.196 -1.304 1.00 11.13 N ATOM 1381 CA GLU A 85 -7.819 -1.268 -0.855 1.00 53.25 C ATOM 1382 C GLU A 85 -7.278 -0.378 0.271 1.00 3.33 C ATOM 1383 O GLU A 85 -7.083 -0.841 1.396 1.00 14.11 O ATOM 1384 CB GLU A 85 -9.046 -2.071 -0.359 1.00 40.54 C ATOM 1385 CG GLU A 85 -9.607 -3.067 -1.395 1.00 62.24 C ATOM 1386 CD GLU A 85 -10.865 -3.805 -0.920 1.00 63.02 C ATOM 1387 OE1 GLU A 85 -11.980 -3.263 -1.081 1.00 31.25 O ATOM 1388 OE2 GLU A 85 -10.747 -4.925 -0.380 1.00 25.51 O ATOM 0 H GLU A 85 -6.614 -2.976 -0.666 1.00 11.13 H new ATOM 0 HA GLU A 85 -8.122 -0.634 -1.688 1.00 53.25 H new ATOM 0 HB2 GLU A 85 -8.769 -2.618 0.542 1.00 40.54 H new ATOM 0 HB3 GLU A 85 -9.834 -1.373 -0.078 1.00 40.54 H new ATOM 0 HG2 GLU A 85 -9.837 -2.530 -2.315 1.00 62.24 H new ATOM 0 HG3 GLU A 85 -8.836 -3.799 -1.637 1.00 62.24 H new ATOM 1395 N ILE A 86 -7.050 0.901 -0.034 1.00 51.23 N ATOM 1396 CA ILE A 86 -6.664 1.895 0.968 1.00 32.42 C ATOM 1397 C ILE A 86 -7.949 2.457 1.582 1.00 33.44 C ATOM 1398 O ILE A 86 -8.606 3.339 1.020 1.00 60.22 O ATOM 1399 CB ILE A 86 -5.767 3.031 0.357 1.00 53.13 C ATOM 1400 CG1 ILE A 86 -4.470 2.404 -0.255 1.00 61.14 C ATOM 1401 CG2 ILE A 86 -5.432 4.108 1.420 1.00 4.21 C ATOM 1402 CD1 ILE A 86 -3.554 3.381 -0.967 1.00 14.01 C ATOM 0 H ILE A 86 -7.128 1.275 -0.980 1.00 51.23 H new ATOM 0 HA ILE A 86 -6.054 1.424 1.739 1.00 32.42 H new ATOM 0 HB ILE A 86 -6.319 3.530 -0.439 1.00 53.13 H new ATOM 0 HG12 ILE A 86 -3.908 1.920 0.544 1.00 61.14 H new ATOM 0 HG13 ILE A 86 -4.760 1.624 -0.959 1.00 61.14 H new ATOM 0 HG21 ILE A 86 -4.810 4.882 0.970 1.00 4.21 H new ATOM 0 HG22 ILE A 86 -6.355 4.554 1.790 1.00 4.21 H new ATOM 0 HG23 ILE A 86 -4.894 3.647 2.248 1.00 4.21 H new ATOM 0 HD11 ILE A 86 -2.685 2.849 -1.355 1.00 14.01 H new ATOM 0 HD12 ILE A 86 -4.091 3.848 -1.792 1.00 14.01 H new ATOM 0 HD13 ILE A 86 -3.226 4.149 -0.266 1.00 14.01 H new ATOM 1414 N VAL A 87 -8.340 1.852 2.698 1.00 52.25 N ATOM 1415 CA VAL A 87 -9.557 2.193 3.423 1.00 41.34 C ATOM 1416 C VAL A 87 -9.241 3.286 4.451 1.00 33.32 C ATOM 1417 O VAL A 87 -8.193 3.236 5.113 1.00 12.22 O ATOM 1418 CB VAL A 87 -10.128 0.917 4.151 1.00 12.40 C ATOM 1419 CG1 VAL A 87 -11.499 1.193 4.810 1.00 4.22 C ATOM 1420 CG2 VAL A 87 -10.207 -0.284 3.179 1.00 52.12 C ATOM 0 H VAL A 87 -7.809 1.097 3.132 1.00 52.25 H new ATOM 0 HA VAL A 87 -10.307 2.558 2.722 1.00 41.34 H new ATOM 0 HB VAL A 87 -9.434 0.662 4.952 1.00 12.40 H new ATOM 0 HG11 VAL A 87 -11.856 0.287 5.300 1.00 4.22 H new ATOM 0 HG12 VAL A 87 -11.394 1.988 5.548 1.00 4.22 H new ATOM 0 HG13 VAL A 87 -12.215 1.498 4.047 1.00 4.22 H new ATOM 0 HG21 VAL A 87 -10.604 -1.152 3.705 1.00 52.12 H new ATOM 0 HG22 VAL A 87 -10.862 -0.034 2.345 1.00 52.12 H new ATOM 0 HG23 VAL A 87 -9.210 -0.513 2.802 1.00 52.12 H new ATOM 1430 N LEU A 88 -10.126 4.285 4.562 1.00 13.35 N ATOM 1431 CA LEU A 88 -10.063 5.265 5.647 1.00 11.25 C ATOM 1432 C LEU A 88 -10.358 4.512 6.959 1.00 23.42 C ATOM 1433 O LEU A 88 -11.493 4.079 7.176 1.00 63.32 O ATOM 1434 CB LEU A 88 -11.095 6.413 5.384 1.00 32.15 C ATOM 1435 CG LEU A 88 -10.989 7.717 6.269 1.00 21.23 C ATOM 1436 CD1 LEU A 88 -11.401 7.505 7.751 1.00 23.31 C ATOM 1437 CD2 LEU A 88 -9.578 8.328 6.171 1.00 0.50 C ATOM 0 H LEU A 88 -10.896 4.434 3.910 1.00 13.35 H new ATOM 0 HA LEU A 88 -9.080 5.733 5.711 1.00 11.25 H new ATOM 0 HB2 LEU A 88 -11.007 6.710 4.339 1.00 32.15 H new ATOM 0 HB3 LEU A 88 -12.095 6.000 5.515 1.00 32.15 H new ATOM 0 HG LEU A 88 -11.714 8.420 5.858 1.00 21.23 H new ATOM 0 HD11 LEU A 88 -11.302 8.445 8.294 1.00 23.31 H new ATOM 0 HD12 LEU A 88 -12.436 7.168 7.796 1.00 23.31 H new ATOM 0 HD13 LEU A 88 -10.754 6.754 8.204 1.00 23.31 H new ATOM 0 HD21 LEU A 88 -9.526 9.225 6.788 1.00 0.50 H new ATOM 0 HD22 LEU A 88 -8.843 7.604 6.522 1.00 0.50 H new ATOM 0 HD23 LEU A 88 -9.365 8.588 5.134 1.00 0.50 H new