USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 800 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 63 HIS : no HD1:sc= -0.0605 K(o=-0.06,f=-1.2) USER MOD Set 1.2: A 72 ASN : amide:sc= 0 K(o=-0.06,f=-1) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 144:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.09 K(o=2.3,f=-4.1) USER MOD Set 3.1: A 11 CYS SG : rot 28:sc= -3.67! USER MOD Set 3.2: A 17 HIS : no HE2:sc= -0.807! C(o=-4.5!,f=-18!) USER MOD Set 4.1: A 9 CYS SG : rot -33:sc= 0.806 USER MOD Set 4.2: A 64 SER OG : rot -110:sc= 0.87 USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= 0.624 (180deg=0.345) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 0.155 (180deg=-1.15) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.349 USER MOD Single : A 20 MET CE :methyl 161:sc= -1.25 (180deg=-1.95) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0842 F(o=-1.6!,f=-0.084) USER MOD Single : A 34 TYR OH : rot -161:sc= -0.788 USER MOD Single : A 40 THR OG1 : rot -100:sc= -1.07 USER MOD Single : A 41 GLN : amide:sc= -1.5 K(o=-1.5,f=-6.3!) USER MOD Single : A 47 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.074) USER MOD Single : A 51 THR OG1 : rot -74:sc= 0.684 USER MOD Single : A 53 GLN : amide:sc= 0.144 X(o=0.14,f=-0.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -36:sc= 0.41 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00224 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.869 X(o=-0.87,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -127:sc= 1.63 (180deg=0.716) USER MOD Single : A 102 MET CE :methyl -176:sc= -0.656 (180deg=-0.742) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.428 K(o=-0.43,f=-4.3!) USER MOD Single : A 108 GLN : amide:sc=-0.00272 X(o=-0.0027,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.568 -1.235 -1.247 1.00 0.00 N ATOM 30 CA LYS A 3 8.942 -0.868 -0.823 1.00 0.00 C ATOM 31 C LYS A 3 9.996 -1.622 -1.666 1.00 0.00 C ATOM 32 O LYS A 3 9.654 -2.411 -2.567 1.00 0.00 O ATOM 33 CB LYS A 3 9.128 -1.116 0.728 1.00 0.00 C ATOM 34 CG LYS A 3 8.056 -2.017 1.393 1.00 0.00 C ATOM 35 CD LYS A 3 8.307 -2.253 2.908 1.00 0.00 C ATOM 36 CE LYS A 3 7.406 -3.359 3.473 1.00 0.00 C ATOM 37 NZ LYS A 3 7.719 -3.674 4.891 1.00 0.00 N ATOM 0 HA LYS A 3 9.093 0.197 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.107 -1.565 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.132 -0.151 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.075 -1.561 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.032 -2.979 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.352 -2.521 3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.130 -1.326 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.363 -3.051 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.519 -4.260 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.262 -4.570 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.749 -3.762 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.366 -2.911 5.502 1.00 0.00 H new ATOM 51 N LYS A 4 11.283 -1.393 -1.362 1.00 0.00 N ATOM 52 CA LYS A 4 12.402 -1.935 -2.165 1.00 0.00 C ATOM 53 C LYS A 4 13.573 -2.311 -1.232 1.00 0.00 C ATOM 54 O LYS A 4 13.837 -1.627 -0.244 1.00 0.00 O ATOM 55 CB LYS A 4 12.818 -0.869 -3.238 1.00 0.00 C ATOM 56 CG LYS A 4 13.397 -1.403 -4.571 1.00 0.00 C ATOM 57 CD LYS A 4 14.831 -1.953 -4.483 1.00 0.00 C ATOM 58 CE LYS A 4 15.346 -2.442 -5.847 1.00 0.00 C ATOM 59 NZ LYS A 4 15.265 -1.391 -6.890 1.00 0.00 N ATOM 0 H LYS A 4 11.580 -0.834 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 4 12.099 -2.842 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.943 -0.261 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.558 -0.207 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.744 -2.192 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.377 -0.599 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.494 -1.176 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.860 -2.776 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.380 -2.771 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.765 -3.309 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.946 -1.601 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.303 -1.368 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.489 -0.467 -6.469 1.00 0.00 H new ATOM 73 N LEU A 5 14.268 -3.400 -1.568 1.00 0.00 N ATOM 74 CA LEU A 5 15.439 -3.890 -0.835 1.00 0.00 C ATOM 75 C LEU A 5 16.520 -4.244 -1.853 1.00 0.00 C ATOM 76 O LEU A 5 16.220 -4.718 -2.951 1.00 0.00 O ATOM 77 CB LEU A 5 15.052 -5.124 0.039 1.00 0.00 C ATOM 78 CG LEU A 5 16.189 -5.759 0.940 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.627 -6.289 2.271 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.953 -6.903 0.233 1.00 0.00 C ATOM 0 H LEU A 5 14.028 -3.978 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 5 15.816 -3.123 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.229 -4.831 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.673 -5.902 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 5 16.890 -4.947 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.436 -6.717 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.168 -5.470 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.879 -7.056 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.719 -7.297 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.256 -7.699 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.424 -6.521 -0.673 1.00 0.00 H new ATOM 92 N ILE A 6 17.774 -3.961 -1.512 1.00 0.00 N ATOM 93 CA ILE A 6 18.933 -4.412 -2.284 1.00 0.00 C ATOM 94 C ILE A 6 19.963 -4.988 -1.313 1.00 0.00 C ATOM 95 O ILE A 6 19.838 -4.825 -0.087 1.00 0.00 O ATOM 96 CB ILE A 6 19.591 -3.269 -3.153 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.316 -2.214 -2.269 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.548 -2.596 -4.079 1.00 0.00 C ATOM 99 CD1 ILE A 6 21.008 -1.120 -3.046 1.00 0.00 C ATOM 0 H ILE A 6 18.018 -3.410 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 6 18.588 -5.167 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 6 20.346 -3.740 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.589 -1.761 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.052 -2.723 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.032 -1.814 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.123 -3.342 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.754 -2.158 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.487 -0.429 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.762 -1.559 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.275 -0.582 -3.647 1.00 0.00 H new ATOM 111 N ALA A 7 20.971 -5.658 -1.863 1.00 0.00 N ATOM 112 CA ALA A 7 22.091 -6.187 -1.084 1.00 0.00 C ATOM 113 C ALA A 7 23.348 -6.273 -1.951 1.00 0.00 C ATOM 114 O ALA A 7 23.295 -6.086 -3.173 1.00 0.00 O ATOM 115 CB ALA A 7 21.734 -7.553 -0.458 1.00 0.00 C ATOM 0 H ALA A 7 21.037 -5.851 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 7 22.298 -5.501 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.584 -7.924 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.874 -7.437 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.492 -8.263 -1.249 1.00 0.00 H new ATOM 121 N LEU A 8 24.478 -6.543 -1.298 1.00 0.00 N ATOM 122 CA LEU A 8 25.773 -6.705 -1.952 1.00 0.00 C ATOM 123 C LEU A 8 26.483 -7.862 -1.247 1.00 0.00 C ATOM 124 O LEU A 8 26.830 -7.755 -0.063 1.00 0.00 O ATOM 125 CB LEU A 8 26.595 -5.375 -1.884 1.00 0.00 C ATOM 126 CG LEU A 8 27.744 -5.180 -2.942 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.309 -3.743 -2.884 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.890 -6.209 -2.783 1.00 0.00 C ATOM 0 H LEU A 8 24.518 -6.657 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 8 25.659 -6.933 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.898 -4.543 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.036 -5.302 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 8 27.292 -5.350 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.101 -3.633 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.512 -3.030 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.712 -3.550 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.652 -6.024 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.332 -6.111 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.494 -7.217 -2.906 1.00 0.00 H new ATOM 140 N CYS A 9 26.659 -8.970 -1.970 1.00 0.00 N ATOM 141 CA CYS A 9 27.366 -10.147 -1.478 1.00 0.00 C ATOM 142 C CYS A 9 28.782 -10.167 -2.079 1.00 0.00 C ATOM 143 O CYS A 9 28.939 -10.407 -3.268 1.00 0.00 O ATOM 144 CB CYS A 9 26.578 -11.418 -1.847 1.00 0.00 C ATOM 145 SG CYS A 9 24.891 -11.457 -1.199 1.00 0.00 S ATOM 0 H CYS A 9 26.310 -9.073 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 9 27.451 -10.112 -0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.540 -11.506 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.119 -12.288 -1.475 1.00 0.00 H new ATOM 0 HG CYS A 9 24.852 -10.843 -0.054 1.00 0.00 H new ATOM 151 N ALA A 10 29.811 -9.915 -1.248 1.00 0.00 N ATOM 152 CA ALA A 10 31.222 -9.838 -1.714 1.00 0.00 C ATOM 153 C ALA A 10 32.137 -10.734 -0.869 1.00 0.00 C ATOM 154 O ALA A 10 32.319 -10.498 0.326 1.00 0.00 O ATOM 155 CB ALA A 10 31.741 -8.387 -1.713 1.00 0.00 C ATOM 0 H ALA A 10 29.698 -9.760 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 10 31.240 -10.201 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.774 -8.370 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.126 -7.780 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.690 -7.983 -0.702 1.00 0.00 H new ATOM 161 N CYS A 11 32.694 -11.785 -1.496 1.00 0.00 N ATOM 162 CA CYS A 11 33.693 -12.669 -0.870 1.00 0.00 C ATOM 163 C CYS A 11 34.892 -12.854 -1.805 1.00 0.00 C ATOM 164 O CYS A 11 34.731 -12.887 -3.030 1.00 0.00 O ATOM 165 CB CYS A 11 33.084 -14.044 -0.471 1.00 0.00 C ATOM 166 SG CYS A 11 32.378 -14.052 1.190 1.00 0.00 S ATOM 0 H CYS A 11 32.463 -12.046 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 11 34.031 -12.191 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.310 -14.314 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.858 -14.809 -0.534 1.00 0.00 H new ATOM 0 HG CYS A 11 31.987 -12.852 1.501 1.00 0.00 H new ATOM 172 N PRO A 12 36.125 -13.002 -1.226 1.00 0.00 N ATOM 173 CA PRO A 12 37.351 -13.289 -1.993 1.00 0.00 C ATOM 174 C PRO A 12 37.562 -14.818 -2.175 1.00 0.00 C ATOM 175 O PRO A 12 38.654 -15.270 -2.522 1.00 0.00 O ATOM 176 CB PRO A 12 38.428 -12.637 -1.096 1.00 0.00 C ATOM 177 CG PRO A 12 37.948 -12.908 0.298 1.00 0.00 C ATOM 178 CD PRO A 12 36.428 -12.911 0.238 1.00 0.00 C ATOM 0 HA PRO A 12 37.350 -12.908 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.412 -13.073 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.514 -11.568 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.324 -13.865 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.308 -12.144 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.008 -13.755 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.009 -12.006 0.677 1.00 0.00 H new ATOM 186 N MET A 13 36.484 -15.592 -1.924 1.00 0.00 N ATOM 187 CA MET A 13 36.459 -17.053 -2.067 1.00 0.00 C ATOM 188 C MET A 13 35.124 -17.476 -2.723 1.00 0.00 C ATOM 189 O MET A 13 34.169 -17.880 -2.043 1.00 0.00 O ATOM 190 CB MET A 13 36.674 -17.745 -0.683 1.00 0.00 C ATOM 191 CG MET A 13 36.683 -19.286 -0.729 1.00 0.00 C ATOM 192 SD MET A 13 37.972 -19.942 -1.811 1.00 0.00 S ATOM 193 CE MET A 13 37.610 -21.700 -1.802 1.00 0.00 C ATOM 0 H MET A 13 35.593 -15.206 -1.611 1.00 0.00 H new ATOM 0 HA MET A 13 37.277 -17.374 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 13 37.620 -17.402 -0.263 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.887 -17.420 -0.003 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.827 -19.675 0.279 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.711 -19.641 -1.071 1.00 0.00 H new ATOM 0 HE1 MET A 13 38.331 -22.223 -2.431 1.00 0.00 H new ATOM 0 HE2 MET A 13 37.675 -22.080 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.604 -21.866 -2.188 1.00 0.00 H new ATOM 203 N GLY A 14 35.044 -17.257 -4.043 1.00 0.00 N ATOM 204 CA GLY A 14 33.996 -17.823 -4.881 1.00 0.00 C ATOM 205 C GLY A 14 32.742 -16.959 -4.983 1.00 0.00 C ATOM 206 O GLY A 14 32.216 -16.491 -3.963 1.00 0.00 O ATOM 0 H GLY A 14 35.711 -16.679 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.395 -17.985 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 14 33.719 -18.801 -4.486 1.00 0.00 H new ATOM 210 N LEU A 15 32.255 -16.759 -6.227 1.00 0.00 N ATOM 211 CA LEU A 15 30.893 -16.264 -6.476 1.00 0.00 C ATOM 212 C LEU A 15 29.869 -17.317 -6.016 1.00 0.00 C ATOM 213 O LEU A 15 28.736 -16.983 -5.729 1.00 0.00 O ATOM 214 CB LEU A 15 30.666 -15.879 -7.971 1.00 0.00 C ATOM 215 CG LEU A 15 31.217 -14.482 -8.430 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.907 -14.220 -9.927 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.659 -13.335 -7.553 1.00 0.00 C ATOM 0 H LEU A 15 32.792 -16.935 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 15 30.757 -15.350 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.125 -16.647 -8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.595 -15.905 -8.170 1.00 0.00 H new ATOM 0 HG LEU A 15 32.299 -14.506 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.301 -13.245 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.374 -14.994 -10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.828 -14.236 -10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.062 -12.383 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.572 -13.317 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.950 -13.496 -6.515 1.00 0.00 H new ATOM 229 N ALA A 16 30.303 -18.589 -5.935 1.00 0.00 N ATOM 230 CA ALA A 16 29.505 -19.680 -5.352 1.00 0.00 C ATOM 231 C ALA A 16 29.084 -19.343 -3.907 1.00 0.00 C ATOM 232 O ALA A 16 27.933 -19.575 -3.516 1.00 0.00 O ATOM 233 CB ALA A 16 30.296 -20.996 -5.406 1.00 0.00 C ATOM 0 H ALA A 16 31.218 -18.888 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 16 28.595 -19.800 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.698 -21.798 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.530 -21.238 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.222 -20.888 -4.841 1.00 0.00 H new ATOM 239 N HIS A 17 30.020 -18.732 -3.142 1.00 0.00 N ATOM 240 CA HIS A 17 29.757 -18.316 -1.753 1.00 0.00 C ATOM 241 C HIS A 17 28.754 -17.149 -1.749 1.00 0.00 C ATOM 242 O HIS A 17 27.772 -17.152 -0.983 1.00 0.00 O ATOM 243 CB HIS A 17 31.086 -17.913 -1.043 1.00 0.00 C ATOM 244 CG HIS A 17 31.048 -17.993 0.472 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.338 -16.932 1.302 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.771 -19.035 1.297 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.245 -17.316 2.563 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.900 -18.581 2.583 1.00 0.00 N ATOM 0 H HIS A 17 30.963 -18.518 -3.468 1.00 0.00 H new ATOM 0 HA HIS A 17 29.326 -19.152 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.886 -18.558 -1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.342 -16.894 -1.333 1.00 0.00 H new ATOM 0 HD1 HIS A 17 31.587 -15.993 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 17 30.499 -20.036 0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.423 -16.695 3.428 1.00 0.00 H new ATOM 257 N THR A 18 28.997 -16.176 -2.651 1.00 0.00 N ATOM 258 CA THR A 18 28.166 -14.968 -2.773 1.00 0.00 C ATOM 259 C THR A 18 26.737 -15.301 -3.260 1.00 0.00 C ATOM 260 O THR A 18 25.809 -14.596 -2.912 1.00 0.00 O ATOM 261 CB THR A 18 28.808 -13.908 -3.736 1.00 0.00 C ATOM 262 OG1 THR A 18 28.798 -14.370 -5.085 1.00 0.00 O ATOM 263 CG2 THR A 18 30.251 -13.563 -3.350 1.00 0.00 C ATOM 0 H THR A 18 29.773 -16.208 -3.312 1.00 0.00 H new ATOM 0 HA THR A 18 28.107 -14.541 -1.772 1.00 0.00 H new ATOM 0 HB THR A 18 28.198 -13.009 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.695 -15.345 -5.096 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.648 -12.826 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.269 -13.153 -2.340 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.863 -14.464 -3.387 1.00 0.00 H new ATOM 271 N PHE A 19 26.588 -16.382 -4.066 1.00 0.00 N ATOM 272 CA PHE A 19 25.281 -16.795 -4.639 1.00 0.00 C ATOM 273 C PHE A 19 24.443 -17.567 -3.619 1.00 0.00 C ATOM 274 O PHE A 19 23.218 -17.575 -3.721 1.00 0.00 O ATOM 275 CB PHE A 19 25.440 -17.640 -5.937 1.00 0.00 C ATOM 276 CG PHE A 19 25.947 -16.867 -7.161 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.525 -15.563 -7.411 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.827 -17.455 -8.069 1.00 0.00 C ATOM 279 CE1 PHE A 19 25.974 -14.871 -8.517 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.276 -16.759 -9.173 1.00 0.00 C ATOM 281 CZ PHE A 19 26.848 -15.468 -9.400 1.00 0.00 C ATOM 0 H PHE A 19 27.363 -16.988 -4.336 1.00 0.00 H new ATOM 0 HA PHE A 19 24.761 -15.873 -4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.128 -18.461 -5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.476 -18.085 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.836 -15.087 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.162 -18.469 -7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.640 -13.859 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.965 -17.227 -9.861 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.196 -14.926 -10.267 1.00 0.00 H new ATOM 291 N MET A 20 25.098 -18.245 -2.654 1.00 0.00 N ATOM 292 CA MET A 20 24.379 -18.859 -1.513 1.00 0.00 C ATOM 293 C MET A 20 23.773 -17.758 -0.631 1.00 0.00 C ATOM 294 O MET A 20 22.645 -17.884 -0.159 1.00 0.00 O ATOM 295 CB MET A 20 25.304 -19.791 -0.682 1.00 0.00 C ATOM 296 CG MET A 20 25.798 -21.027 -1.445 1.00 0.00 C ATOM 297 SD MET A 20 26.674 -22.224 -0.408 1.00 0.00 S ATOM 298 CE MET A 20 28.016 -21.246 0.262 1.00 0.00 C ATOM 0 H MET A 20 26.109 -18.381 -2.639 1.00 0.00 H new ATOM 0 HA MET A 20 23.577 -19.481 -1.910 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.167 -19.219 -0.342 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.767 -20.118 0.208 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.945 -21.520 -1.911 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.459 -20.705 -2.250 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.417 -21.738 1.148 1.00 0.00 H new ATOM 0 HE2 MET A 20 28.803 -21.147 -0.486 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.646 -20.257 0.532 1.00 0.00 H new ATOM 308 N ALA A 21 24.538 -16.663 -0.467 1.00 0.00 N ATOM 309 CA ALA A 21 24.106 -15.469 0.290 1.00 0.00 C ATOM 310 C ALA A 21 23.049 -14.671 -0.476 1.00 0.00 C ATOM 311 O ALA A 21 22.087 -14.181 0.114 1.00 0.00 O ATOM 312 CB ALA A 21 25.311 -14.579 0.591 1.00 0.00 C ATOM 0 H ALA A 21 25.477 -16.579 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 21 23.659 -15.808 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.985 -13.701 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.036 -15.137 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.773 -14.263 -0.344 1.00 0.00 H new ATOM 318 N ALA A 22 23.251 -14.562 -1.801 1.00 0.00 N ATOM 319 CA ALA A 22 22.383 -13.791 -2.700 1.00 0.00 C ATOM 320 C ALA A 22 21.002 -14.425 -2.759 1.00 0.00 C ATOM 321 O ALA A 22 20.009 -13.763 -2.521 1.00 0.00 O ATOM 322 CB ALA A 22 22.991 -13.697 -4.107 1.00 0.00 C ATOM 0 H ALA A 22 24.031 -15.013 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 22 22.292 -12.779 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.328 -13.121 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.962 -13.204 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.116 -14.699 -4.517 1.00 0.00 H new ATOM 328 N GLN A 23 20.975 -15.735 -3.031 1.00 0.00 N ATOM 329 CA GLN A 23 19.732 -16.507 -3.127 1.00 0.00 C ATOM 330 C GLN A 23 18.993 -16.509 -1.778 1.00 0.00 C ATOM 331 O GLN A 23 17.772 -16.385 -1.743 1.00 0.00 O ATOM 332 CB GLN A 23 20.029 -17.955 -3.589 1.00 0.00 C ATOM 333 CG GLN A 23 18.775 -18.812 -3.880 1.00 0.00 C ATOM 334 CD GLN A 23 17.829 -18.168 -4.909 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.853 -17.406 -4.444 1.00 0.00 O flip ATOM 336 NE2 GLN A 23 17.976 -18.357 -6.113 1.00 0.00 N flip ATOM 0 H GLN A 23 21.816 -16.290 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 23 19.088 -16.035 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.642 -17.916 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.622 -18.452 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.088 -19.790 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.232 -18.978 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.737 -18.949 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.338 -17.922 -6.779 1.00 0.00 H new ATOM 345 N ALA A 24 19.763 -16.609 -0.681 1.00 0.00 N ATOM 346 CA ALA A 24 19.219 -16.616 0.683 1.00 0.00 C ATOM 347 C ALA A 24 18.490 -15.286 1.009 1.00 0.00 C ATOM 348 O ALA A 24 17.309 -15.290 1.399 1.00 0.00 O ATOM 349 CB ALA A 24 20.353 -16.905 1.681 1.00 0.00 C ATOM 0 H ALA A 24 20.779 -16.687 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 24 18.472 -17.406 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.953 -16.911 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.794 -17.877 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.117 -16.132 1.597 1.00 0.00 H new ATOM 355 N LEU A 25 19.197 -14.156 0.808 1.00 0.00 N ATOM 356 CA LEU A 25 18.658 -12.795 1.064 1.00 0.00 C ATOM 357 C LEU A 25 17.517 -12.455 0.093 1.00 0.00 C ATOM 358 O LEU A 25 16.618 -11.681 0.434 1.00 0.00 O ATOM 359 CB LEU A 25 19.768 -11.720 0.934 1.00 0.00 C ATOM 360 CG LEU A 25 20.919 -11.779 1.982 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.977 -10.687 1.695 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.380 -11.671 3.431 1.00 0.00 C ATOM 0 H LEU A 25 20.157 -14.156 0.464 1.00 0.00 H new ATOM 0 HA LEU A 25 18.272 -12.794 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.207 -11.802 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.300 -10.737 0.996 1.00 0.00 H new ATOM 0 HG LEU A 25 21.401 -12.752 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.772 -10.746 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.398 -10.840 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.508 -9.704 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.212 -11.716 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.853 -10.725 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.695 -12.496 3.627 1.00 0.00 H new ATOM 374 N GLU A 26 17.587 -13.037 -1.119 1.00 0.00 N ATOM 375 CA GLU A 26 16.595 -12.825 -2.180 1.00 0.00 C ATOM 376 C GLU A 26 15.240 -13.384 -1.742 1.00 0.00 C ATOM 377 O GLU A 26 14.255 -12.648 -1.698 1.00 0.00 O ATOM 378 CB GLU A 26 17.068 -13.489 -3.503 1.00 0.00 C ATOM 379 CG GLU A 26 16.194 -13.192 -4.733 1.00 0.00 C ATOM 380 CD GLU A 26 16.682 -13.912 -6.000 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.248 -15.057 -6.251 1.00 0.00 O ATOM 382 OE2 GLU A 26 17.497 -13.339 -6.755 1.00 0.00 O ATOM 0 H GLU A 26 18.340 -13.671 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 26 16.487 -11.755 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.086 -13.160 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.106 -14.568 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.167 -13.491 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 26 16.182 -12.117 -4.913 1.00 0.00 H new ATOM 389 N GLU A 27 15.245 -14.680 -1.359 1.00 0.00 N ATOM 390 CA GLU A 27 14.051 -15.406 -0.873 1.00 0.00 C ATOM 391 C GLU A 27 13.420 -14.663 0.309 1.00 0.00 C ATOM 392 O GLU A 27 12.237 -14.371 0.292 1.00 0.00 O ATOM 393 CB GLU A 27 14.431 -16.854 -0.441 1.00 0.00 C ATOM 394 CG GLU A 27 14.991 -17.740 -1.567 1.00 0.00 C ATOM 395 CD GLU A 27 13.954 -18.115 -2.636 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.805 -17.372 -3.626 1.00 0.00 O ATOM 397 OE2 GLU A 27 13.287 -19.163 -2.491 1.00 0.00 O ATOM 0 H GLU A 27 16.086 -15.257 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 27 13.328 -15.458 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.170 -16.797 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.547 -17.337 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.821 -17.221 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.395 -18.653 -1.131 1.00 0.00 H new ATOM 404 N ALA A 28 14.274 -14.304 1.279 1.00 0.00 N ATOM 405 CA ALA A 28 13.886 -13.616 2.528 1.00 0.00 C ATOM 406 C ALA A 28 13.148 -12.294 2.247 1.00 0.00 C ATOM 407 O ALA A 28 12.101 -12.008 2.844 1.00 0.00 O ATOM 408 CB ALA A 28 15.145 -13.359 3.366 1.00 0.00 C ATOM 0 H ALA A 28 15.276 -14.486 1.220 1.00 0.00 H new ATOM 0 HA ALA A 28 13.196 -14.256 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.869 -12.851 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.625 -14.309 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.837 -12.734 2.801 1.00 0.00 H new ATOM 414 N ALA A 29 13.720 -11.508 1.329 1.00 0.00 N ATOM 415 CA ALA A 29 13.141 -10.233 0.872 1.00 0.00 C ATOM 416 C ALA A 29 11.834 -10.426 0.066 1.00 0.00 C ATOM 417 O ALA A 29 10.951 -9.558 0.093 1.00 0.00 O ATOM 418 CB ALA A 29 14.174 -9.459 0.052 1.00 0.00 C ATOM 0 H ALA A 29 14.605 -11.737 0.877 1.00 0.00 H new ATOM 0 HA ALA A 29 12.875 -9.658 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.740 -8.517 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.050 -9.256 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.469 -10.051 -0.814 1.00 0.00 H new ATOM 424 N VAL A 30 11.697 -11.576 -0.621 1.00 0.00 N ATOM 425 CA VAL A 30 10.484 -11.887 -1.416 1.00 0.00 C ATOM 426 C VAL A 30 9.321 -12.214 -0.459 1.00 0.00 C ATOM 427 O VAL A 30 8.171 -11.822 -0.690 1.00 0.00 O ATOM 428 CB VAL A 30 10.737 -13.080 -2.420 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.422 -13.587 -3.066 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.750 -12.676 -3.515 1.00 0.00 C ATOM 0 H VAL A 30 12.408 -12.307 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 30 10.227 -11.014 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 30 11.157 -13.900 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.645 -14.407 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.745 -13.937 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.950 -12.774 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.907 -13.515 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.361 -11.825 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.698 -12.403 -3.051 1.00 0.00 H new ATOM 440 N GLU A 31 9.668 -12.900 0.632 1.00 0.00 N ATOM 441 CA GLU A 31 8.729 -13.295 1.695 1.00 0.00 C ATOM 442 C GLU A 31 8.305 -12.070 2.528 1.00 0.00 C ATOM 443 O GLU A 31 7.215 -12.051 3.112 1.00 0.00 O ATOM 444 CB GLU A 31 9.404 -14.375 2.574 1.00 0.00 C ATOM 445 CG GLU A 31 9.894 -15.604 1.774 1.00 0.00 C ATOM 446 CD GLU A 31 8.767 -16.523 1.274 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.379 -17.454 2.011 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.261 -16.315 0.147 1.00 0.00 O ATOM 0 H GLU A 31 10.625 -13.204 0.809 1.00 0.00 H new ATOM 0 HA GLU A 31 7.822 -13.710 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.251 -13.930 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.698 -14.705 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.472 -15.258 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.570 -16.185 2.401 1.00 0.00 H new ATOM 455 N ALA A 32 9.187 -11.056 2.575 1.00 0.00 N ATOM 456 CA ALA A 32 8.888 -9.752 3.192 1.00 0.00 C ATOM 457 C ALA A 32 7.853 -8.973 2.357 1.00 0.00 C ATOM 458 O ALA A 32 7.038 -8.219 2.904 1.00 0.00 O ATOM 459 CB ALA A 32 10.175 -8.953 3.370 1.00 0.00 C ATOM 0 H ALA A 32 10.128 -11.118 2.186 1.00 0.00 H new ATOM 0 HA ALA A 32 8.450 -9.920 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.945 -7.990 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.860 -9.505 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.640 -8.791 2.398 1.00 0.00 H new ATOM 465 N GLY A 33 7.904 -9.168 1.026 1.00 0.00 N ATOM 466 CA GLY A 33 6.852 -8.684 0.122 1.00 0.00 C ATOM 467 C GLY A 33 7.225 -7.449 -0.678 1.00 0.00 C ATOM 468 O GLY A 33 6.335 -6.763 -1.193 1.00 0.00 O ATOM 0 H GLY A 33 8.665 -9.658 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.590 -9.484 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.960 -8.465 0.708 1.00 0.00 H new ATOM 472 N TYR A 34 8.527 -7.161 -0.791 1.00 0.00 N ATOM 473 CA TYR A 34 9.042 -6.045 -1.620 1.00 0.00 C ATOM 474 C TYR A 34 10.031 -6.548 -2.682 1.00 0.00 C ATOM 475 O TYR A 34 10.297 -7.757 -2.782 1.00 0.00 O ATOM 476 CB TYR A 34 9.675 -4.920 -0.745 1.00 0.00 C ATOM 477 CG TYR A 34 10.580 -5.324 0.434 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.339 -6.491 0.452 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.647 -4.510 1.553 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.112 -6.812 1.543 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.409 -4.828 2.630 1.00 0.00 C ATOM 482 CZ TYR A 34 12.138 -5.979 2.629 1.00 0.00 C ATOM 483 OH TYR A 34 12.894 -6.304 3.723 1.00 0.00 O ATOM 0 H TYR A 34 9.258 -7.689 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 34 8.189 -5.609 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.258 -4.276 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.862 -4.314 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.320 -7.152 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.075 -3.594 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.697 -7.720 1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.437 -4.170 3.486 1.00 0.00 H new ATOM 0 HH TYR A 34 12.579 -5.798 4.501 1.00 0.00 H new ATOM 493 N GLU A 35 10.555 -5.594 -3.484 1.00 0.00 N ATOM 494 CA GLU A 35 11.549 -5.886 -4.541 1.00 0.00 C ATOM 495 C GLU A 35 12.927 -6.194 -3.905 1.00 0.00 C ATOM 496 O GLU A 35 13.219 -5.719 -2.805 1.00 0.00 O ATOM 497 CB GLU A 35 11.633 -4.670 -5.515 1.00 0.00 C ATOM 498 CG GLU A 35 12.637 -4.811 -6.689 1.00 0.00 C ATOM 499 CD GLU A 35 12.339 -5.989 -7.635 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.434 -5.862 -8.487 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.996 -7.048 -7.526 1.00 0.00 O ATOM 0 H GLU A 35 10.303 -4.608 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 35 11.241 -6.765 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.641 -4.492 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.900 -3.785 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.636 -3.886 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.641 -4.931 -6.282 1.00 0.00 H new ATOM 508 N VAL A 36 13.752 -6.998 -4.599 1.00 0.00 N ATOM 509 CA VAL A 36 15.101 -7.363 -4.138 1.00 0.00 C ATOM 510 C VAL A 36 16.088 -7.431 -5.327 1.00 0.00 C ATOM 511 O VAL A 36 15.818 -8.093 -6.330 1.00 0.00 O ATOM 512 CB VAL A 36 15.096 -8.713 -3.331 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.523 -9.897 -4.147 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.501 -9.043 -2.780 1.00 0.00 C ATOM 0 H VAL A 36 13.501 -7.413 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 36 15.438 -6.581 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 36 14.425 -8.564 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.545 -10.802 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.495 -9.677 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.126 -10.047 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.464 -9.982 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.204 -9.137 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.828 -8.243 -2.115 1.00 0.00 H new ATOM 524 N LYS A 37 17.231 -6.731 -5.203 1.00 0.00 N ATOM 525 CA LYS A 37 18.305 -6.744 -6.222 1.00 0.00 C ATOM 526 C LYS A 37 19.666 -6.856 -5.523 1.00 0.00 C ATOM 527 O LYS A 37 20.055 -5.961 -4.782 1.00 0.00 O ATOM 528 CB LYS A 37 18.260 -5.464 -7.096 1.00 0.00 C ATOM 529 CG LYS A 37 19.321 -5.443 -8.226 1.00 0.00 C ATOM 530 CD LYS A 37 19.047 -6.451 -9.353 1.00 0.00 C ATOM 531 CE LYS A 37 20.178 -6.477 -10.396 1.00 0.00 C ATOM 532 NZ LYS A 37 19.821 -7.290 -11.585 1.00 0.00 N ATOM 0 H LYS A 37 17.439 -6.141 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 37 18.155 -7.603 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.268 -5.372 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.406 -4.593 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.366 -4.440 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.301 -5.651 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.925 -7.447 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.108 -6.198 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.406 -5.458 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.082 -6.880 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.221 -6.851 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.205 -8.250 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.786 -7.339 -11.674 1.00 0.00 H new ATOM 546 N ILE A 38 20.379 -7.968 -5.737 1.00 0.00 N ATOM 547 CA ILE A 38 21.644 -8.258 -5.024 1.00 0.00 C ATOM 548 C ILE A 38 22.830 -8.387 -5.995 1.00 0.00 C ATOM 549 O ILE A 38 22.859 -9.300 -6.816 1.00 0.00 O ATOM 550 CB ILE A 38 21.477 -9.577 -4.205 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.220 -9.458 -3.281 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.758 -9.911 -3.385 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.745 -10.750 -2.690 1.00 0.00 C ATOM 0 H ILE A 38 20.105 -8.691 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 38 21.860 -7.425 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 38 21.329 -10.404 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.448 -8.767 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.405 -9.017 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.603 -10.835 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.603 -10.033 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.966 -9.099 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.871 -10.565 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.480 -11.441 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.538 -11.186 -2.083 1.00 0.00 H new ATOM 565 N GLU A 39 23.804 -7.472 -5.862 1.00 0.00 N ATOM 566 CA GLU A 39 25.060 -7.490 -6.634 1.00 0.00 C ATOM 567 C GLU A 39 26.103 -8.363 -5.921 1.00 0.00 C ATOM 568 O GLU A 39 26.470 -8.100 -4.773 1.00 0.00 O ATOM 569 CB GLU A 39 25.576 -6.042 -6.792 1.00 0.00 C ATOM 570 CG GLU A 39 26.936 -5.892 -7.503 1.00 0.00 C ATOM 571 CD GLU A 39 27.404 -4.427 -7.590 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.633 -3.588 -8.098 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.540 -4.112 -7.179 1.00 0.00 O ATOM 0 H GLU A 39 23.742 -6.691 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 39 24.880 -7.915 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.832 -5.469 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.653 -5.593 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.686 -6.477 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.863 -6.306 -8.509 1.00 0.00 H new ATOM 580 N THR A 40 26.558 -9.410 -6.606 1.00 0.00 N ATOM 581 CA THR A 40 27.572 -10.331 -6.099 1.00 0.00 C ATOM 582 C THR A 40 28.961 -9.999 -6.674 1.00 0.00 C ATOM 583 O THR A 40 29.212 -10.199 -7.868 1.00 0.00 O ATOM 584 CB THR A 40 27.180 -11.793 -6.445 1.00 0.00 C ATOM 585 OG1 THR A 40 26.866 -11.898 -7.839 1.00 0.00 O ATOM 586 CG2 THR A 40 25.983 -12.275 -5.614 1.00 0.00 C ATOM 0 H THR A 40 26.228 -9.645 -7.542 1.00 0.00 H new ATOM 0 HA THR A 40 27.623 -10.221 -5.016 1.00 0.00 H new ATOM 0 HB THR A 40 28.034 -12.427 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.893 -11.889 -7.957 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.741 -13.302 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.234 -12.230 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.123 -11.635 -5.810 1.00 0.00 H new ATOM 594 N GLN A 41 29.848 -9.476 -5.821 1.00 0.00 N ATOM 595 CA GLN A 41 31.254 -9.222 -6.169 1.00 0.00 C ATOM 596 C GLN A 41 32.138 -10.389 -5.687 1.00 0.00 C ATOM 597 O GLN A 41 31.935 -10.922 -4.596 1.00 0.00 O ATOM 598 CB GLN A 41 31.728 -7.878 -5.555 1.00 0.00 C ATOM 599 CG GLN A 41 31.022 -6.644 -6.146 1.00 0.00 C ATOM 600 CD GLN A 41 31.608 -5.314 -5.664 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.129 -4.707 -4.716 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.697 -4.884 -6.283 1.00 0.00 N ATOM 0 H GLN A 41 29.611 -9.215 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 41 31.342 -9.149 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.559 -7.901 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.803 -7.778 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.084 -6.686 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.964 -6.681 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.076 -5.409 -7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.156 -4.028 -5.972 1.00 0.00 H new ATOM 611 N GLY A 42 33.111 -10.778 -6.523 1.00 0.00 N ATOM 612 CA GLY A 42 34.049 -11.852 -6.191 1.00 0.00 C ATOM 613 C GLY A 42 35.255 -11.855 -7.113 1.00 0.00 C ATOM 614 O GLY A 42 35.312 -11.071 -8.071 1.00 0.00 O ATOM 0 H GLY A 42 33.267 -10.359 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.381 -11.738 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.539 -12.813 -6.257 1.00 0.00 H new ATOM 618 N ALA A 43 36.219 -12.751 -6.832 1.00 0.00 N ATOM 619 CA ALA A 43 37.452 -12.875 -7.639 1.00 0.00 C ATOM 620 C ALA A 43 37.178 -13.576 -8.987 1.00 0.00 C ATOM 621 O ALA A 43 38.033 -13.578 -9.874 1.00 0.00 O ATOM 622 CB ALA A 43 38.546 -13.598 -6.837 1.00 0.00 C ATOM 0 H ALA A 43 36.169 -13.403 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 43 37.810 -11.872 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.447 -13.682 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.769 -13.031 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.199 -14.595 -6.564 1.00 0.00 H new ATOM 628 N ASP A 44 35.982 -14.184 -9.123 1.00 0.00 N ATOM 629 CA ASP A 44 35.490 -14.733 -10.410 1.00 0.00 C ATOM 630 C ASP A 44 34.974 -13.591 -11.313 1.00 0.00 C ATOM 631 O ASP A 44 34.983 -13.707 -12.543 1.00 0.00 O ATOM 632 CB ASP A 44 34.339 -15.747 -10.179 1.00 0.00 C ATOM 633 CG ASP A 44 34.681 -16.863 -9.187 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.668 -16.598 -7.969 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.951 -18.004 -9.611 1.00 0.00 O ATOM 0 H ASP A 44 35.330 -14.310 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 44 36.323 -15.243 -10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.462 -15.210 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.066 -16.195 -11.134 1.00 0.00 H new ATOM 640 N GLY A 45 34.502 -12.508 -10.667 1.00 0.00 N ATOM 641 CA GLY A 45 33.924 -11.345 -11.344 1.00 0.00 C ATOM 642 C GLY A 45 32.758 -10.766 -10.555 1.00 0.00 C ATOM 643 O GLY A 45 32.538 -11.145 -9.397 1.00 0.00 O ATOM 0 H GLY A 45 34.514 -12.421 -9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.690 -10.581 -11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.585 -11.633 -12.339 1.00 0.00 H new ATOM 647 N ILE A 46 32.016 -9.834 -11.172 1.00 0.00 N ATOM 648 CA ILE A 46 30.808 -9.236 -10.570 1.00 0.00 C ATOM 649 C ILE A 46 29.571 -9.661 -11.375 1.00 0.00 C ATOM 650 O ILE A 46 29.637 -9.811 -12.602 1.00 0.00 O ATOM 651 CB ILE A 46 30.920 -7.668 -10.497 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.195 -7.269 -9.678 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.641 -7.026 -9.882 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.444 -5.784 -9.574 1.00 0.00 C ATOM 0 H ILE A 46 32.233 -9.472 -12.101 1.00 0.00 H new ATOM 0 HA ILE A 46 30.711 -9.599 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 46 31.012 -7.284 -11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 46 32.106 -7.679 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.065 -7.737 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.758 -5.943 -9.849 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.776 -7.279 -10.495 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.493 -7.406 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.347 -5.607 -8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.570 -5.365 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.595 -5.306 -9.084 1.00 0.00 H new ATOM 666 N GLN A 47 28.446 -9.849 -10.676 1.00 0.00 N ATOM 667 CA GLN A 47 27.198 -10.330 -11.273 1.00 0.00 C ATOM 668 C GLN A 47 25.995 -9.628 -10.625 1.00 0.00 C ATOM 669 O GLN A 47 26.070 -9.219 -9.466 1.00 0.00 O ATOM 670 CB GLN A 47 27.111 -11.874 -11.102 1.00 0.00 C ATOM 671 CG GLN A 47 25.882 -12.537 -11.754 1.00 0.00 C ATOM 672 CD GLN A 47 25.711 -12.225 -13.252 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.593 -12.129 -13.742 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.804 -12.096 -13.996 1.00 0.00 N ATOM 0 H GLN A 47 28.377 -9.670 -9.674 1.00 0.00 H new ATOM 0 HA GLN A 47 27.183 -10.095 -12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.011 -12.322 -11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.107 -12.106 -10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.956 -13.617 -11.626 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.986 -12.214 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.726 -12.180 -13.567 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.722 -11.913 -14.996 1.00 0.00 H new ATOM 683 N ASN A 48 24.904 -9.493 -11.416 1.00 0.00 N ATOM 684 CA ASN A 48 23.619 -8.886 -10.996 1.00 0.00 C ATOM 685 C ASN A 48 23.848 -7.428 -10.527 1.00 0.00 C ATOM 686 O ASN A 48 23.321 -6.996 -9.489 1.00 0.00 O ATOM 687 CB ASN A 48 22.920 -9.764 -9.899 1.00 0.00 C ATOM 688 CG ASN A 48 21.395 -9.854 -10.036 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.855 -9.828 -11.143 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.693 -9.959 -8.909 1.00 0.00 N ATOM 0 H ASN A 48 24.893 -9.810 -12.385 1.00 0.00 H new ATOM 0 HA ASN A 48 22.942 -8.853 -11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.336 -10.771 -9.937 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.161 -9.357 -8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.676 -10.021 -8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.173 -9.978 -8.009 1.00 0.00 H new ATOM 697 N ARG A 49 24.631 -6.699 -11.345 1.00 0.00 N ATOM 698 CA ARG A 49 25.087 -5.327 -11.078 1.00 0.00 C ATOM 699 C ARG A 49 23.913 -4.379 -10.726 1.00 0.00 C ATOM 700 O ARG A 49 22.965 -4.229 -11.503 1.00 0.00 O ATOM 701 CB ARG A 49 25.865 -4.804 -12.325 1.00 0.00 C ATOM 702 CG ARG A 49 26.358 -3.339 -12.233 1.00 0.00 C ATOM 703 CD ARG A 49 27.487 -3.128 -11.206 1.00 0.00 C ATOM 704 NE ARG A 49 28.814 -3.493 -11.727 1.00 0.00 N ATOM 705 CZ ARG A 49 29.943 -3.493 -11.006 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.903 -3.403 -9.684 1.00 0.00 N ATOM 707 NH2 ARG A 49 31.112 -3.638 -11.606 1.00 0.00 N ATOM 0 H ARG A 49 24.972 -7.062 -12.235 1.00 0.00 H new ATOM 0 HA ARG A 49 25.744 -5.343 -10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.727 -5.450 -12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.222 -4.899 -13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.708 -3.021 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.516 -2.698 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.499 -2.083 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.277 -3.721 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 49 28.879 -3.766 -12.708 1.00 0.00 H new ATOM 0 HH11 ARG A 49 29.005 -3.333 -9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.770 -3.404 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.155 -3.750 -12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.971 -3.638 -11.056 1.00 0.00 H new ATOM 721 N LEU A 50 23.993 -3.793 -9.523 1.00 0.00 N ATOM 722 CA LEU A 50 23.073 -2.740 -9.048 1.00 0.00 C ATOM 723 C LEU A 50 23.199 -1.470 -9.907 1.00 0.00 C ATOM 724 O LEU A 50 24.292 -1.140 -10.388 1.00 0.00 O ATOM 725 CB LEU A 50 23.385 -2.413 -7.557 1.00 0.00 C ATOM 726 CG LEU A 50 22.909 -3.480 -6.524 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.623 -3.334 -5.163 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.391 -3.399 -6.347 1.00 0.00 C ATOM 0 H LEU A 50 24.709 -4.039 -8.839 1.00 0.00 H new ATOM 0 HA LEU A 50 22.049 -3.105 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.462 -2.283 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.922 -1.458 -7.307 1.00 0.00 H new ATOM 0 HG LEU A 50 23.173 -4.461 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.258 -4.099 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.698 -3.453 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.418 -2.347 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.069 -4.148 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.119 -2.407 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.903 -3.585 -7.304 1.00 0.00 H new ATOM 740 N THR A 51 22.074 -0.769 -10.089 1.00 0.00 N ATOM 741 CA THR A 51 22.030 0.514 -10.801 1.00 0.00 C ATOM 742 C THR A 51 21.889 1.672 -9.798 1.00 0.00 C ATOM 743 O THR A 51 21.590 1.447 -8.612 1.00 0.00 O ATOM 744 CB THR A 51 20.841 0.539 -11.822 1.00 0.00 C ATOM 745 OG1 THR A 51 19.580 0.463 -11.134 1.00 0.00 O ATOM 746 CG2 THR A 51 20.923 -0.621 -12.833 1.00 0.00 C ATOM 0 H THR A 51 21.164 -1.077 -9.745 1.00 0.00 H new ATOM 0 HA THR A 51 22.962 0.634 -11.353 1.00 0.00 H new ATOM 0 HB THR A 51 20.915 1.481 -12.365 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.439 -0.451 -10.809 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.079 -0.564 -13.521 1.00 0.00 H new ATOM 0 HG22 THR A 51 21.855 -0.549 -13.394 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.893 -1.571 -12.300 1.00 0.00 H new ATOM 754 N ALA A 52 22.102 2.911 -10.289 1.00 0.00 N ATOM 755 CA ALA A 52 21.896 4.142 -9.492 1.00 0.00 C ATOM 756 C ALA A 52 20.438 4.237 -9.026 1.00 0.00 C ATOM 757 O ALA A 52 20.152 4.690 -7.910 1.00 0.00 O ATOM 758 CB ALA A 52 22.290 5.382 -10.313 1.00 0.00 C ATOM 0 H ALA A 52 22.419 3.087 -11.242 1.00 0.00 H new ATOM 0 HA ALA A 52 22.534 4.100 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.133 6.279 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.341 5.313 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.676 5.434 -11.212 1.00 0.00 H new ATOM 764 N GLN A 53 19.541 3.762 -9.908 1.00 0.00 N ATOM 765 CA GLN A 53 18.111 3.648 -9.640 1.00 0.00 C ATOM 766 C GLN A 53 17.857 2.698 -8.447 1.00 0.00 C ATOM 767 O GLN A 53 17.208 3.098 -7.492 1.00 0.00 O ATOM 768 CB GLN A 53 17.382 3.150 -10.914 1.00 0.00 C ATOM 769 CG GLN A 53 15.860 3.049 -10.756 1.00 0.00 C ATOM 770 CD GLN A 53 15.130 2.478 -11.969 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.527 2.677 -13.116 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.066 1.742 -11.714 1.00 0.00 N ATOM 0 H GLN A 53 19.802 3.443 -10.841 1.00 0.00 H new ATOM 0 HA GLN A 53 17.716 4.628 -9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.608 3.826 -11.739 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.775 2.171 -11.187 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.639 2.426 -9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.463 4.042 -10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.765 1.598 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.544 1.317 -12.481 1.00 0.00 H new ATOM 781 N ASP A 54 18.437 1.471 -8.497 1.00 0.00 N ATOM 782 CA ASP A 54 18.248 0.423 -7.449 1.00 0.00 C ATOM 783 C ASP A 54 18.578 0.940 -6.045 1.00 0.00 C ATOM 784 O ASP A 54 17.812 0.717 -5.102 1.00 0.00 O ATOM 785 CB ASP A 54 19.113 -0.849 -7.731 1.00 0.00 C ATOM 786 CG ASP A 54 18.550 -1.766 -8.828 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.355 -2.120 -8.744 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.301 -2.155 -9.757 1.00 0.00 O ATOM 0 H ASP A 54 19.047 1.177 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 54 17.192 0.157 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.117 -0.535 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.208 -1.422 -6.808 1.00 0.00 H new ATOM 793 N ILE A 55 19.722 1.634 -5.931 1.00 0.00 N ATOM 794 CA ILE A 55 20.237 2.124 -4.637 1.00 0.00 C ATOM 795 C ILE A 55 19.398 3.326 -4.124 1.00 0.00 C ATOM 796 O ILE A 55 19.235 3.511 -2.909 1.00 0.00 O ATOM 797 CB ILE A 55 21.765 2.511 -4.734 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.590 1.391 -5.456 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.359 2.791 -3.332 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.059 1.722 -5.668 1.00 0.00 C ATOM 0 H ILE A 55 20.315 1.871 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 55 20.144 1.310 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 55 21.832 3.423 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.519 0.473 -4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.133 1.189 -6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.412 3.055 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.820 3.616 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.264 1.900 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.550 0.891 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.145 2.620 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.536 1.893 -4.703 1.00 0.00 H new ATOM 812 N ALA A 56 18.853 4.120 -5.071 1.00 0.00 N ATOM 813 CA ALA A 56 17.977 5.273 -4.758 1.00 0.00 C ATOM 814 C ALA A 56 16.596 4.801 -4.252 1.00 0.00 C ATOM 815 O ALA A 56 16.013 5.410 -3.351 1.00 0.00 O ATOM 816 CB ALA A 56 17.818 6.170 -5.996 1.00 0.00 C ATOM 0 H ALA A 56 19.006 3.982 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 56 18.446 5.851 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.172 7.014 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.796 6.539 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.373 5.594 -6.808 1.00 0.00 H new ATOM 822 N GLU A 57 16.096 3.706 -4.848 1.00 0.00 N ATOM 823 CA GLU A 57 14.797 3.093 -4.497 1.00 0.00 C ATOM 824 C GLU A 57 14.902 2.280 -3.202 1.00 0.00 C ATOM 825 O GLU A 57 13.901 2.080 -2.515 1.00 0.00 O ATOM 826 CB GLU A 57 14.328 2.161 -5.641 1.00 0.00 C ATOM 827 CG GLU A 57 14.159 2.866 -6.990 1.00 0.00 C ATOM 828 CD GLU A 57 13.843 1.900 -8.139 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.615 0.934 -8.346 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.849 2.108 -8.860 1.00 0.00 O ATOM 0 H GLU A 57 16.585 3.214 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 57 14.076 3.897 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.048 1.351 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.378 1.706 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.358 3.601 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.072 3.413 -7.224 1.00 0.00 H new ATOM 837 N ALA A 58 16.123 1.792 -2.917 1.00 0.00 N ATOM 838 CA ALA A 58 16.410 0.902 -1.782 1.00 0.00 C ATOM 839 C ALA A 58 15.994 1.519 -0.430 1.00 0.00 C ATOM 840 O ALA A 58 16.689 2.387 0.116 1.00 0.00 O ATOM 841 CB ALA A 58 17.897 0.531 -1.774 1.00 0.00 C ATOM 0 H ALA A 58 16.947 2.009 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 58 15.812 -0.000 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.103 -0.128 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.150 0.021 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.497 1.436 -1.682 1.00 0.00 H new ATOM 847 N THR A 59 14.819 1.089 0.056 1.00 0.00 N ATOM 848 CA THR A 59 14.350 1.362 1.419 1.00 0.00 C ATOM 849 C THR A 59 15.312 0.688 2.424 1.00 0.00 C ATOM 850 O THR A 59 15.628 1.237 3.484 1.00 0.00 O ATOM 851 CB THR A 59 12.894 0.809 1.614 1.00 0.00 C ATOM 852 OG1 THR A 59 12.043 1.300 0.561 1.00 0.00 O ATOM 853 CG2 THR A 59 12.290 1.181 2.985 1.00 0.00 C ATOM 0 H THR A 59 14.162 0.536 -0.495 1.00 0.00 H new ATOM 0 HA THR A 59 14.334 2.438 1.590 1.00 0.00 H new ATOM 0 HB THR A 59 12.958 -0.278 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.135 0.952 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.283 0.772 3.062 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.911 0.769 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.249 2.266 3.082 1.00 0.00 H new ATOM 861 N ILE A 60 15.778 -0.518 2.039 1.00 0.00 N ATOM 862 CA ILE A 60 16.714 -1.333 2.829 1.00 0.00 C ATOM 863 C ILE A 60 17.911 -1.754 1.949 1.00 0.00 C ATOM 864 O ILE A 60 17.737 -2.057 0.765 1.00 0.00 O ATOM 865 CB ILE A 60 15.987 -2.619 3.390 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.780 -2.228 4.310 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.979 -3.544 4.136 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.930 -3.386 4.810 1.00 0.00 C ATOM 0 H ILE A 60 15.509 -0.956 1.158 1.00 0.00 H new ATOM 0 HA ILE A 60 17.073 -0.738 3.669 1.00 0.00 H new ATOM 0 HB ILE A 60 15.593 -3.174 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.166 -1.685 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.137 -1.540 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.449 -4.420 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.766 -3.861 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.422 -3.003 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.125 -3.002 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.505 -3.919 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.550 -4.067 5.393 1.00 0.00 H new ATOM 880 N ILE A 61 19.124 -1.743 2.541 1.00 0.00 N ATOM 881 CA ILE A 61 20.361 -2.256 1.902 1.00 0.00 C ATOM 882 C ILE A 61 21.072 -3.182 2.896 1.00 0.00 C ATOM 883 O ILE A 61 21.132 -2.862 4.080 1.00 0.00 O ATOM 884 CB ILE A 61 21.348 -1.091 1.500 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.595 0.009 0.686 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.580 -1.636 0.713 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.436 1.181 0.250 1.00 0.00 C ATOM 0 H ILE A 61 19.277 -1.377 3.481 1.00 0.00 H new ATOM 0 HA ILE A 61 20.079 -2.786 0.992 1.00 0.00 H new ATOM 0 HB ILE A 61 21.725 -0.636 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.159 -0.453 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.768 0.382 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.240 -0.809 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.122 -2.350 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.241 -2.131 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.818 1.885 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.851 1.677 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.248 0.829 -0.386 1.00 0.00 H new ATOM 899 N ILE A 62 21.585 -4.336 2.429 1.00 0.00 N ATOM 900 CA ILE A 62 22.421 -5.237 3.259 1.00 0.00 C ATOM 901 C ILE A 62 23.777 -5.455 2.561 1.00 0.00 C ATOM 902 O ILE A 62 23.821 -6.074 1.506 1.00 0.00 O ATOM 903 CB ILE A 62 21.759 -6.663 3.526 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.330 -6.575 4.170 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.683 -7.527 4.420 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.193 -6.284 3.210 1.00 0.00 C ATOM 0 H ILE A 62 21.437 -4.671 1.477 1.00 0.00 H new ATOM 0 HA ILE A 62 22.534 -4.747 4.226 1.00 0.00 H new ATOM 0 HB ILE A 62 21.638 -7.131 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.121 -7.517 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.343 -5.798 4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.218 -8.497 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.642 -7.668 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.840 -7.024 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.253 -6.245 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.367 -5.326 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.141 -7.072 2.458 1.00 0.00 H new ATOM 918 N HIS A 63 24.887 -4.956 3.138 1.00 0.00 N ATOM 919 CA HIS A 63 26.238 -5.281 2.624 1.00 0.00 C ATOM 920 C HIS A 63 26.749 -6.538 3.329 1.00 0.00 C ATOM 921 O HIS A 63 27.449 -6.476 4.340 1.00 0.00 O ATOM 922 CB HIS A 63 27.230 -4.089 2.750 1.00 0.00 C ATOM 923 CG HIS A 63 27.182 -3.121 1.589 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.237 -2.291 1.311 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.204 -2.905 0.670 1.00 0.00 C ATOM 926 CE1 HIS A 63 27.891 -1.605 0.248 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.667 -1.941 -0.179 1.00 0.00 N ATOM 0 H HIS A 63 24.880 -4.336 3.948 1.00 0.00 H new ATOM 0 HA HIS A 63 26.166 -5.478 1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.015 -3.547 3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.243 -4.481 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.246 -3.400 0.621 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.516 -0.861 -0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.175 -1.552 -0.983 1.00 0.00 H new ATOM 935 N SER A 64 26.332 -7.679 2.785 1.00 0.00 N ATOM 936 CA SER A 64 26.723 -8.995 3.256 1.00 0.00 C ATOM 937 C SER A 64 28.078 -9.359 2.644 1.00 0.00 C ATOM 938 O SER A 64 28.157 -9.988 1.583 1.00 0.00 O ATOM 939 CB SER A 64 25.624 -9.994 2.861 1.00 0.00 C ATOM 940 OG SER A 64 25.290 -9.900 1.481 1.00 0.00 O ATOM 0 H SER A 64 25.698 -7.709 1.986 1.00 0.00 H new ATOM 0 HA SER A 64 26.833 -9.016 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.957 -11.007 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.734 -9.811 3.463 1.00 0.00 H new ATOM 0 HG SER A 64 24.393 -9.517 1.387 1.00 0.00 H new ATOM 946 N VAL A 65 29.157 -8.902 3.285 1.00 0.00 N ATOM 947 CA VAL A 65 30.513 -8.998 2.723 1.00 0.00 C ATOM 948 C VAL A 65 31.500 -9.647 3.708 1.00 0.00 C ATOM 949 O VAL A 65 31.218 -9.797 4.898 1.00 0.00 O ATOM 950 CB VAL A 65 31.015 -7.572 2.272 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.097 -6.984 1.166 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.130 -6.591 3.475 1.00 0.00 C ATOM 0 H VAL A 65 29.120 -8.457 4.202 1.00 0.00 H new ATOM 0 HA VAL A 65 30.468 -9.647 1.849 1.00 0.00 H new ATOM 0 HB VAL A 65 32.015 -7.698 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.465 -6.001 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.101 -7.646 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.080 -6.892 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.479 -5.621 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.153 -6.476 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.838 -6.988 4.202 1.00 0.00 H new ATOM 962 N ALA A 66 32.641 -10.076 3.159 1.00 0.00 N ATOM 963 CA ALA A 66 33.784 -10.623 3.914 1.00 0.00 C ATOM 964 C ALA A 66 34.975 -9.664 3.781 1.00 0.00 C ATOM 965 O ALA A 66 35.830 -9.577 4.668 1.00 0.00 O ATOM 966 CB ALA A 66 34.140 -12.019 3.377 1.00 0.00 C ATOM 0 H ALA A 66 32.804 -10.054 2.152 1.00 0.00 H new ATOM 0 HA ALA A 66 33.525 -10.721 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.985 -12.420 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.282 -12.682 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.406 -11.946 2.322 1.00 0.00 H new ATOM 972 N VAL A 67 35.004 -8.949 2.643 1.00 0.00 N ATOM 973 CA VAL A 67 36.003 -7.917 2.314 1.00 0.00 C ATOM 974 C VAL A 67 35.271 -6.614 1.997 1.00 0.00 C ATOM 975 O VAL A 67 34.060 -6.633 1.747 1.00 0.00 O ATOM 976 CB VAL A 67 36.898 -8.339 1.087 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.871 -9.473 1.479 1.00 0.00 C ATOM 978 CG2 VAL A 67 36.030 -8.736 -0.150 1.00 0.00 C ATOM 0 H VAL A 67 34.312 -9.077 1.904 1.00 0.00 H new ATOM 0 HA VAL A 67 36.665 -7.788 3.170 1.00 0.00 H new ATOM 0 HB VAL A 67 37.492 -7.472 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.478 -9.747 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.520 -9.133 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.303 -10.341 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.682 -9.021 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.387 -9.577 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.414 -7.888 -0.450 1.00 0.00 H new ATOM 988 N THR A 68 35.993 -5.485 2.024 1.00 0.00 N ATOM 989 CA THR A 68 35.431 -4.196 1.620 1.00 0.00 C ATOM 990 C THR A 68 35.173 -4.212 0.093 1.00 0.00 C ATOM 991 O THR A 68 36.123 -4.405 -0.678 1.00 0.00 O ATOM 992 CB THR A 68 36.376 -3.016 2.016 1.00 0.00 C ATOM 993 OG1 THR A 68 36.640 -3.079 3.427 1.00 0.00 O ATOM 994 CG2 THR A 68 35.771 -1.638 1.668 1.00 0.00 C ATOM 0 H THR A 68 36.968 -5.442 2.322 1.00 0.00 H new ATOM 0 HA THR A 68 34.488 -4.040 2.144 1.00 0.00 H new ATOM 0 HB THR A 68 37.298 -3.122 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.234 -2.342 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.465 -0.851 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.591 -1.580 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 68 34.829 -1.509 2.201 1.00 0.00 H new ATOM 1002 N PRO A 69 33.881 -4.095 -0.364 1.00 0.00 N ATOM 1003 CA PRO A 69 33.549 -4.065 -1.801 1.00 0.00 C ATOM 1004 C PRO A 69 34.136 -2.822 -2.507 1.00 0.00 C ATOM 1005 O PRO A 69 34.301 -1.763 -1.890 1.00 0.00 O ATOM 1006 CB PRO A 69 31.995 -4.054 -1.825 1.00 0.00 C ATOM 1007 CG PRO A 69 31.581 -3.548 -0.480 1.00 0.00 C ATOM 1008 CD PRO A 69 32.655 -4.006 0.481 1.00 0.00 C ATOM 0 HA PRO A 69 33.972 -4.913 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.619 -3.410 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.598 -5.052 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.494 -2.461 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.607 -3.945 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.785 -3.299 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.407 -4.969 0.927 1.00 0.00 H new ATOM 1016 N GLU A 70 34.438 -2.979 -3.805 1.00 0.00 N ATOM 1017 CA GLU A 70 34.982 -1.898 -4.655 1.00 0.00 C ATOM 1018 C GLU A 70 33.924 -0.799 -4.862 1.00 0.00 C ATOM 1019 O GLU A 70 34.241 0.389 -4.997 1.00 0.00 O ATOM 1020 CB GLU A 70 35.423 -2.482 -6.032 1.00 0.00 C ATOM 1021 CG GLU A 70 36.361 -3.707 -5.949 1.00 0.00 C ATOM 1022 CD GLU A 70 37.670 -3.420 -5.191 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.575 -2.789 -5.778 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.796 -3.806 -4.008 1.00 0.00 O ATOM 0 H GLU A 70 34.313 -3.862 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 70 35.848 -1.459 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.532 -2.763 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.923 -1.697 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.836 -4.526 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.600 -4.043 -6.958 1.00 0.00 H new ATOM 1031 N ASP A 71 32.660 -1.240 -4.859 1.00 0.00 N ATOM 1032 CA ASP A 71 31.482 -0.408 -5.142 1.00 0.00 C ATOM 1033 C ASP A 71 30.849 0.156 -3.860 1.00 0.00 C ATOM 1034 O ASP A 71 29.762 0.722 -3.915 1.00 0.00 O ATOM 1035 CB ASP A 71 30.464 -1.267 -5.934 1.00 0.00 C ATOM 1036 CG ASP A 71 30.951 -1.562 -7.362 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.791 -2.462 -7.551 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.525 -0.858 -8.301 1.00 0.00 O ATOM 0 H ASP A 71 32.421 -2.210 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 71 31.788 0.455 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 71 30.294 -2.206 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.507 -0.748 -5.977 1.00 0.00 H new ATOM 1043 N ASN A 72 31.575 0.049 -2.733 1.00 0.00 N ATOM 1044 CA ASN A 72 31.082 0.433 -1.385 1.00 0.00 C ATOM 1045 C ASN A 72 30.694 1.937 -1.300 1.00 0.00 C ATOM 1046 O ASN A 72 29.715 2.300 -0.637 1.00 0.00 O ATOM 1047 CB ASN A 72 32.175 0.091 -0.333 1.00 0.00 C ATOM 1048 CG ASN A 72 31.744 0.299 1.125 1.00 0.00 C ATOM 1049 OD1 ASN A 72 30.572 0.157 1.472 1.00 0.00 O ATOM 1050 ND2 ASN A 72 32.698 0.610 1.993 1.00 0.00 N ATOM 0 H ASN A 72 32.530 -0.309 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 72 30.173 -0.133 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.475 -0.949 -0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 72 33.055 0.704 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.469 0.738 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.661 0.721 1.675 1.00 0.00 H new ATOM 1057 N GLU A 73 31.453 2.786 -2.022 1.00 0.00 N ATOM 1058 CA GLU A 73 31.292 4.269 -1.992 1.00 0.00 C ATOM 1059 C GLU A 73 30.013 4.758 -2.709 1.00 0.00 C ATOM 1060 O GLU A 73 29.598 5.896 -2.512 1.00 0.00 O ATOM 1061 CB GLU A 73 32.574 4.978 -2.556 1.00 0.00 C ATOM 1062 CG GLU A 73 33.224 4.325 -3.801 1.00 0.00 C ATOM 1063 CD GLU A 73 32.330 4.250 -5.048 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.961 5.313 -5.587 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.994 3.132 -5.486 1.00 0.00 O ATOM 0 H GLU A 73 32.197 2.471 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 73 31.172 4.549 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.315 6.007 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.320 5.020 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.125 4.883 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.538 3.315 -3.538 1.00 0.00 H new ATOM 1072 N ARG A 74 29.419 3.899 -3.563 1.00 0.00 N ATOM 1073 CA ARG A 74 28.124 4.181 -4.233 1.00 0.00 C ATOM 1074 C ARG A 74 26.971 4.291 -3.217 1.00 0.00 C ATOM 1075 O ARG A 74 25.960 4.950 -3.462 1.00 0.00 O ATOM 1076 CB ARG A 74 27.811 3.059 -5.246 1.00 0.00 C ATOM 1077 CG ARG A 74 28.808 2.989 -6.407 1.00 0.00 C ATOM 1078 CD ARG A 74 28.675 1.716 -7.246 1.00 0.00 C ATOM 1079 NE ARG A 74 27.296 1.424 -7.633 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.815 0.198 -7.882 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.582 -0.876 -7.761 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.558 0.051 -8.225 1.00 0.00 N ATOM 0 H ARG A 74 29.818 2.993 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 74 28.214 5.138 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.804 2.102 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.809 3.211 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.666 3.857 -7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.821 3.050 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.285 1.815 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.074 0.873 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 74 26.653 2.211 -7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.556 -0.778 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.198 -1.801 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.951 0.867 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.187 -0.880 -8.416 1.00 0.00 H new ATOM 1096 N PHE A 75 27.160 3.618 -2.078 1.00 0.00 N ATOM 1097 CA PHE A 75 26.163 3.502 -0.997 1.00 0.00 C ATOM 1098 C PHE A 75 26.490 4.485 0.151 1.00 0.00 C ATOM 1099 O PHE A 75 25.954 4.348 1.259 1.00 0.00 O ATOM 1100 CB PHE A 75 26.156 2.034 -0.483 1.00 0.00 C ATOM 1101 CG PHE A 75 25.960 0.986 -1.579 1.00 0.00 C ATOM 1102 CD1 PHE A 75 27.030 0.587 -2.382 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.719 0.411 -1.811 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.863 -0.354 -3.375 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.554 -0.530 -2.803 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.627 -0.911 -3.587 1.00 0.00 C ATOM 0 H PHE A 75 28.029 3.125 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 75 25.175 3.759 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.098 1.836 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.362 1.923 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 75 28.005 1.023 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.873 0.704 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.703 -0.652 -3.985 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.583 -0.972 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.492 -1.647 -4.366 1.00 0.00 H new ATOM 1116 N GLU A 76 27.336 5.496 -0.164 1.00 0.00 N ATOM 1117 CA GLU A 76 27.888 6.485 0.796 1.00 0.00 C ATOM 1118 C GLU A 76 26.805 7.142 1.679 1.00 0.00 C ATOM 1119 O GLU A 76 26.914 7.139 2.906 1.00 0.00 O ATOM 1120 CB GLU A 76 28.660 7.582 -0.002 1.00 0.00 C ATOM 1121 CG GLU A 76 29.266 8.738 0.827 1.00 0.00 C ATOM 1122 CD GLU A 76 30.353 8.291 1.822 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.508 8.074 1.393 1.00 0.00 O ATOM 1124 OE2 GLU A 76 30.065 8.178 3.036 1.00 0.00 O ATOM 0 H GLU A 76 27.662 5.651 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 76 28.556 5.951 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.466 7.099 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 76 27.980 8.010 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.692 9.475 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.467 9.235 1.377 1.00 0.00 H new ATOM 1131 N SER A 77 25.763 7.679 1.034 1.00 0.00 N ATOM 1132 CA SER A 77 24.727 8.497 1.700 1.00 0.00 C ATOM 1133 C SER A 77 23.449 7.678 2.011 1.00 0.00 C ATOM 1134 O SER A 77 22.460 8.229 2.502 1.00 0.00 O ATOM 1135 CB SER A 77 24.403 9.722 0.804 1.00 0.00 C ATOM 1136 OG SER A 77 23.552 10.654 1.459 1.00 0.00 O ATOM 0 H SER A 77 25.609 7.562 0.033 1.00 0.00 H new ATOM 0 HA SER A 77 25.114 8.837 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 77 25.331 10.217 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 77 23.927 9.382 -0.116 1.00 0.00 H new ATOM 0 HG SER A 77 22.908 10.172 2.019 1.00 0.00 H new ATOM 1142 N ARG A 78 23.493 6.356 1.755 1.00 0.00 N ATOM 1143 CA ARG A 78 22.315 5.463 1.862 1.00 0.00 C ATOM 1144 C ARG A 78 22.408 4.571 3.116 1.00 0.00 C ATOM 1145 O ARG A 78 23.506 4.172 3.512 1.00 0.00 O ATOM 1146 CB ARG A 78 22.227 4.595 0.583 1.00 0.00 C ATOM 1147 CG ARG A 78 22.213 5.403 -0.730 1.00 0.00 C ATOM 1148 CD ARG A 78 20.953 6.265 -0.900 1.00 0.00 C ATOM 1149 NE ARG A 78 21.077 7.183 -2.041 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.276 8.233 -2.281 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.198 8.460 -1.545 1.00 0.00 N ATOM 1152 NH2 ARG A 78 20.542 9.041 -3.289 1.00 0.00 N ATOM 0 H ARG A 78 24.345 5.874 1.468 1.00 0.00 H new ATOM 0 HA ARG A 78 21.414 6.069 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 78 23.073 3.908 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.324 3.987 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.092 6.047 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.291 4.716 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.086 5.620 -1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.777 6.837 0.011 1.00 0.00 H new ATOM 0 HE ARG A 78 21.832 7.008 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.962 7.830 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.604 9.264 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.353 8.867 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.936 9.840 -3.475 1.00 0.00 H new ATOM 1166 N ASP A 79 21.245 4.272 3.734 1.00 0.00 N ATOM 1167 CA ASP A 79 21.152 3.427 4.947 1.00 0.00 C ATOM 1168 C ASP A 79 21.510 1.961 4.626 1.00 0.00 C ATOM 1169 O ASP A 79 20.689 1.208 4.078 1.00 0.00 O ATOM 1170 CB ASP A 79 19.725 3.518 5.559 1.00 0.00 C ATOM 1171 CG ASP A 79 19.405 4.914 6.119 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.013 5.814 5.336 1.00 0.00 O ATOM 1173 OD2 ASP A 79 19.576 5.130 7.344 1.00 0.00 O ATOM 0 H ASP A 79 20.341 4.610 3.405 1.00 0.00 H new ATOM 0 HA ASP A 79 21.871 3.798 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.990 3.260 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.629 2.781 6.356 1.00 0.00 H new ATOM 1178 N VAL A 80 22.761 1.583 4.943 1.00 0.00 N ATOM 1179 CA VAL A 80 23.291 0.236 4.688 1.00 0.00 C ATOM 1180 C VAL A 80 23.478 -0.522 6.009 1.00 0.00 C ATOM 1181 O VAL A 80 24.100 -0.021 6.946 1.00 0.00 O ATOM 1182 CB VAL A 80 24.663 0.296 3.926 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.213 -1.117 3.646 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.545 1.115 2.623 1.00 0.00 C ATOM 0 H VAL A 80 23.435 2.208 5.386 1.00 0.00 H new ATOM 0 HA VAL A 80 22.568 -0.288 4.063 1.00 0.00 H new ATOM 0 HB VAL A 80 25.375 0.805 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.163 -1.039 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.364 -1.642 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.501 -1.670 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.511 1.138 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.805 0.654 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.235 2.133 2.860 1.00 0.00 H new ATOM 1194 N TYR A 81 22.919 -1.730 6.058 1.00 0.00 N ATOM 1195 CA TYR A 81 23.073 -2.668 7.170 1.00 0.00 C ATOM 1196 C TYR A 81 24.167 -3.678 6.796 1.00 0.00 C ATOM 1197 O TYR A 81 23.906 -4.673 6.103 1.00 0.00 O ATOM 1198 CB TYR A 81 21.711 -3.356 7.467 1.00 0.00 C ATOM 1199 CG TYR A 81 20.588 -2.350 7.810 1.00 0.00 C ATOM 1200 CD1 TYR A 81 19.860 -1.695 6.802 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.281 -2.034 9.133 1.00 0.00 C ATOM 1202 CE1 TYR A 81 18.874 -0.777 7.109 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.290 -1.115 9.441 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.593 -0.492 8.427 1.00 0.00 C ATOM 1205 OH TYR A 81 17.596 0.406 8.733 1.00 0.00 O ATOM 0 H TYR A 81 22.332 -2.093 5.307 1.00 0.00 H new ATOM 0 HA TYR A 81 23.375 -2.153 8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.411 -3.945 6.600 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.835 -4.051 8.298 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.076 -1.914 5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.825 -2.514 9.933 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.326 -0.285 6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.064 -0.887 10.472 1.00 0.00 H new ATOM 0 HH TYR A 81 17.523 0.495 9.706 1.00 0.00 H new ATOM 1215 N GLU A 82 25.413 -3.368 7.192 1.00 0.00 N ATOM 1216 CA GLU A 82 26.585 -4.182 6.834 1.00 0.00 C ATOM 1217 C GLU A 82 26.768 -5.332 7.838 1.00 0.00 C ATOM 1218 O GLU A 82 26.764 -5.120 9.053 1.00 0.00 O ATOM 1219 CB GLU A 82 27.865 -3.315 6.766 1.00 0.00 C ATOM 1220 CG GLU A 82 29.090 -4.039 6.159 1.00 0.00 C ATOM 1221 CD GLU A 82 30.352 -3.162 6.092 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.274 -2.030 5.567 1.00 0.00 O ATOM 1223 OE2 GLU A 82 31.428 -3.595 6.558 1.00 0.00 O ATOM 0 H GLU A 82 25.634 -2.553 7.764 1.00 0.00 H new ATOM 0 HA GLU A 82 26.412 -4.606 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 82 27.655 -2.423 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.117 -2.980 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.306 -4.928 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.840 -4.379 5.154 1.00 0.00 H new ATOM 1230 N ILE A 83 26.922 -6.543 7.296 1.00 0.00 N ATOM 1231 CA ILE A 83 27.115 -7.789 8.057 1.00 0.00 C ATOM 1232 C ILE A 83 28.212 -8.630 7.368 1.00 0.00 C ATOM 1233 O ILE A 83 28.854 -8.169 6.406 1.00 0.00 O ATOM 1234 CB ILE A 83 25.784 -8.642 8.106 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.310 -8.974 6.651 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.659 -7.933 8.917 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.212 -9.998 6.560 1.00 0.00 C ATOM 0 H ILE A 83 26.916 -6.692 6.287 1.00 0.00 H new ATOM 0 HA ILE A 83 27.402 -7.529 9.076 1.00 0.00 H new ATOM 0 HB ILE A 83 26.002 -9.573 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 83 24.969 -8.054 6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.166 -9.329 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.765 -8.557 8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.995 -7.772 9.941 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.428 -6.973 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 83 23.952 -10.161 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.552 -10.936 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.335 -9.641 7.100 1.00 0.00 H new ATOM 1249 N THR A 84 28.409 -9.868 7.848 1.00 0.00 N ATOM 1250 CA THR A 84 29.213 -10.866 7.140 1.00 0.00 C ATOM 1251 C THR A 84 28.350 -11.594 6.104 1.00 0.00 C ATOM 1252 O THR A 84 27.137 -11.761 6.287 1.00 0.00 O ATOM 1253 CB THR A 84 29.856 -11.896 8.116 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.859 -12.437 9.001 1.00 0.00 O ATOM 1255 CG2 THR A 84 30.993 -11.255 8.923 1.00 0.00 C ATOM 0 H THR A 84 28.018 -10.199 8.730 1.00 0.00 H new ATOM 0 HA THR A 84 30.024 -10.339 6.637 1.00 0.00 H new ATOM 0 HB THR A 84 30.277 -12.707 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.276 -13.084 9.607 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.424 -11.996 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.763 -10.892 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.601 -10.421 9.505 1.00 0.00 H new ATOM 1263 N LEU A 85 29.002 -12.030 5.021 1.00 0.00 N ATOM 1264 CA LEU A 85 28.354 -12.798 3.935 1.00 0.00 C ATOM 1265 C LEU A 85 27.878 -14.169 4.451 1.00 0.00 C ATOM 1266 O LEU A 85 26.897 -14.730 3.952 1.00 0.00 O ATOM 1267 CB LEU A 85 29.351 -12.920 2.748 1.00 0.00 C ATOM 1268 CG LEU A 85 28.771 -13.437 1.384 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.532 -12.839 0.191 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.771 -14.973 1.291 1.00 0.00 C ATOM 0 H LEU A 85 29.996 -11.864 4.866 1.00 0.00 H new ATOM 0 HA LEU A 85 27.463 -12.278 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.797 -11.940 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.157 -13.589 3.049 1.00 0.00 H new ATOM 0 HG LEU A 85 27.734 -13.102 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.106 -13.217 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.448 -11.752 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.583 -13.123 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.360 -15.279 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.792 -15.343 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.161 -15.386 2.094 1.00 0.00 H new ATOM 1282 N GLN A 86 28.592 -14.684 5.464 1.00 0.00 N ATOM 1283 CA GLN A 86 28.219 -15.911 6.179 1.00 0.00 C ATOM 1284 C GLN A 86 26.833 -15.757 6.836 1.00 0.00 C ATOM 1285 O GLN A 86 25.990 -16.649 6.719 1.00 0.00 O ATOM 1286 CB GLN A 86 29.282 -16.232 7.258 1.00 0.00 C ATOM 1287 CG GLN A 86 29.009 -17.503 8.088 1.00 0.00 C ATOM 1288 CD GLN A 86 30.052 -17.741 9.180 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.909 -17.272 10.310 1.00 0.00 O ATOM 1290 NE2 GLN A 86 31.121 -18.447 8.845 1.00 0.00 N ATOM 0 H GLN A 86 29.450 -14.256 5.811 1.00 0.00 H new ATOM 0 HA GLN A 86 28.172 -16.731 5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.252 -16.336 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.356 -15.382 7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 86 28.023 -17.426 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.985 -18.366 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 86 31.209 -18.822 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.856 -18.616 9.532 1.00 0.00 H new ATOM 1299 N ASP A 87 26.618 -14.603 7.514 1.00 0.00 N ATOM 1300 CA ASP A 87 25.348 -14.290 8.202 1.00 0.00 C ATOM 1301 C ASP A 87 24.188 -14.218 7.193 1.00 0.00 C ATOM 1302 O ASP A 87 23.068 -14.571 7.514 1.00 0.00 O ATOM 1303 CB ASP A 87 25.456 -12.959 8.998 1.00 0.00 C ATOM 1304 CG ASP A 87 24.319 -12.767 10.026 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.232 -13.574 10.982 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.507 -11.831 9.882 1.00 0.00 O ATOM 0 H ASP A 87 27.320 -13.867 7.597 1.00 0.00 H new ATOM 0 HA ASP A 87 25.144 -15.093 8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.414 -12.931 9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.448 -12.124 8.298 1.00 0.00 H new ATOM 1311 N ALA A 88 24.491 -13.767 5.964 1.00 0.00 N ATOM 1312 CA ALA A 88 23.513 -13.700 4.850 1.00 0.00 C ATOM 1313 C ALA A 88 22.999 -15.085 4.441 1.00 0.00 C ATOM 1314 O ALA A 88 21.854 -15.228 4.020 1.00 0.00 O ATOM 1315 CB ALA A 88 24.140 -12.999 3.655 1.00 0.00 C ATOM 0 H ALA A 88 25.421 -13.436 5.708 1.00 0.00 H new ATOM 0 HA ALA A 88 22.653 -13.130 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.418 -12.953 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.433 -11.988 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 88 25.020 -13.553 3.329 1.00 0.00 H new ATOM 1321 N ILE A 89 23.870 -16.086 4.569 1.00 0.00 N ATOM 1322 CA ILE A 89 23.558 -17.482 4.227 1.00 0.00 C ATOM 1323 C ILE A 89 22.719 -18.143 5.342 1.00 0.00 C ATOM 1324 O ILE A 89 21.666 -18.722 5.073 1.00 0.00 O ATOM 1325 CB ILE A 89 24.898 -18.282 3.977 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.664 -17.675 2.754 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.649 -19.801 3.775 1.00 0.00 C ATOM 1328 CD1 ILE A 89 27.096 -18.150 2.584 1.00 0.00 C ATOM 0 H ILE A 89 24.820 -15.954 4.915 1.00 0.00 H new ATOM 0 HA ILE A 89 22.965 -17.499 3.313 1.00 0.00 H new ATOM 0 HB ILE A 89 25.514 -18.182 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 89 25.110 -17.912 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.668 -16.589 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 89 25.600 -20.306 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 89 24.171 -20.213 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 89 24.000 -19.952 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.537 -17.671 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.674 -17.889 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 89 27.107 -19.232 2.449 1.00 0.00 H new ATOM 1340 N LYS A 90 23.193 -18.027 6.595 1.00 0.00 N ATOM 1341 CA LYS A 90 22.604 -18.743 7.754 1.00 0.00 C ATOM 1342 C LYS A 90 21.370 -18.019 8.337 1.00 0.00 C ATOM 1343 O LYS A 90 20.433 -18.661 8.808 1.00 0.00 O ATOM 1344 CB LYS A 90 23.672 -18.941 8.872 1.00 0.00 C ATOM 1345 CG LYS A 90 24.364 -17.638 9.352 1.00 0.00 C ATOM 1346 CD LYS A 90 25.202 -17.819 10.638 1.00 0.00 C ATOM 1347 CE LYS A 90 26.359 -18.818 10.482 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.119 -18.983 11.750 1.00 0.00 N ATOM 0 H LYS A 90 23.990 -17.439 6.838 1.00 0.00 H new ATOM 0 HA LYS A 90 22.271 -19.713 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.196 -19.419 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.436 -19.628 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 90 25.010 -17.266 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.604 -16.877 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.606 -16.852 10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.549 -18.155 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.965 -19.784 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 90 27.032 -18.475 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.891 -19.664 11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.516 -18.066 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.482 -19.334 12.493 1.00 0.00 H new ATOM 1362 N ASN A 91 21.377 -16.684 8.283 1.00 0.00 N ATOM 1363 CA ASN A 91 20.409 -15.820 9.008 1.00 0.00 C ATOM 1364 C ASN A 91 19.619 -14.948 8.016 1.00 0.00 C ATOM 1365 O ASN A 91 19.071 -13.930 8.409 1.00 0.00 O ATOM 1366 CB ASN A 91 21.189 -14.916 10.011 1.00 0.00 C ATOM 1367 CG ASN A 91 20.304 -14.143 11.003 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.332 -14.678 11.534 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.585 -12.861 11.186 1.00 0.00 N ATOM 0 H ASN A 91 22.056 -16.157 7.733 1.00 0.00 H new ATOM 0 HA ASN A 91 19.701 -16.447 9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.885 -15.538 10.574 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.787 -14.201 9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.987 -12.288 11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.399 -12.447 10.731 1.00 0.00 H new ATOM 1376 N ALA A 92 19.537 -15.389 6.750 1.00 0.00 N ATOM 1377 CA ALA A 92 18.917 -14.626 5.634 1.00 0.00 C ATOM 1378 C ALA A 92 17.598 -13.929 6.026 1.00 0.00 C ATOM 1379 O ALA A 92 17.496 -12.689 6.000 1.00 0.00 O ATOM 1380 CB ALA A 92 18.670 -15.572 4.464 1.00 0.00 C ATOM 0 H ALA A 92 19.902 -16.296 6.460 1.00 0.00 H new ATOM 0 HA ALA A 92 19.614 -13.835 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.215 -15.021 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.617 -15.999 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.000 -16.373 4.778 1.00 0.00 H new ATOM 1386 N ALA A 93 16.625 -14.754 6.441 1.00 0.00 N ATOM 1387 CA ALA A 93 15.298 -14.293 6.853 1.00 0.00 C ATOM 1388 C ALA A 93 15.386 -13.401 8.090 1.00 0.00 C ATOM 1389 O ALA A 93 14.684 -12.399 8.160 1.00 0.00 O ATOM 1390 CB ALA A 93 14.364 -15.488 7.093 1.00 0.00 C ATOM 0 H ALA A 93 16.741 -15.766 6.499 1.00 0.00 H new ATOM 0 HA ALA A 93 14.878 -13.693 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.382 -15.127 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.268 -16.065 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.778 -16.121 7.878 1.00 0.00 H new ATOM 1396 N GLY A 94 16.316 -13.752 9.011 1.00 0.00 N ATOM 1397 CA GLY A 94 16.499 -13.045 10.276 1.00 0.00 C ATOM 1398 C GLY A 94 16.908 -11.598 10.067 1.00 0.00 C ATOM 1399 O GLY A 94 16.301 -10.700 10.628 1.00 0.00 O ATOM 0 H GLY A 94 16.955 -14.537 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.572 -13.080 10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.259 -13.554 10.869 1.00 0.00 H new ATOM 1403 N ILE A 95 17.900 -11.400 9.191 1.00 0.00 N ATOM 1404 CA ILE A 95 18.422 -10.078 8.803 1.00 0.00 C ATOM 1405 C ILE A 95 17.287 -9.191 8.273 1.00 0.00 C ATOM 1406 O ILE A 95 17.014 -8.141 8.850 1.00 0.00 O ATOM 1407 CB ILE A 95 19.521 -10.238 7.693 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.695 -11.131 8.197 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.053 -8.864 7.193 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.412 -11.852 7.089 1.00 0.00 C ATOM 0 H ILE A 95 18.375 -12.170 8.720 1.00 0.00 H new ATOM 0 HA ILE A 95 18.861 -9.608 9.683 1.00 0.00 H new ATOM 0 HB ILE A 95 19.048 -10.731 6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.409 -10.510 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.307 -11.863 8.906 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.811 -9.024 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.230 -8.286 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.492 -8.318 8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.217 -12.455 7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.711 -12.499 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.829 -11.125 6.392 1.00 0.00 H new ATOM 1422 N ILE A 96 16.611 -9.670 7.203 1.00 0.00 N ATOM 1423 CA ILE A 96 15.529 -8.916 6.531 1.00 0.00 C ATOM 1424 C ILE A 96 14.427 -8.511 7.537 1.00 0.00 C ATOM 1425 O ILE A 96 14.094 -7.332 7.624 1.00 0.00 O ATOM 1426 CB ILE A 96 14.923 -9.720 5.297 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.806 -9.527 4.010 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.443 -9.351 4.987 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.168 -10.190 4.031 1.00 0.00 C ATOM 0 H ILE A 96 16.798 -10.581 6.785 1.00 0.00 H new ATOM 0 HA ILE A 96 15.969 -8.003 6.131 1.00 0.00 H new ATOM 0 HB ILE A 96 14.934 -10.769 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.251 -9.909 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.947 -8.458 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.093 -9.935 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.824 -9.570 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.375 -8.289 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.685 -9.989 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.753 -9.793 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.047 -11.266 4.155 1.00 0.00 H new ATOM 1441 N LYS A 97 13.916 -9.491 8.322 1.00 0.00 N ATOM 1442 CA LYS A 97 12.785 -9.260 9.258 1.00 0.00 C ATOM 1443 C LYS A 97 13.176 -8.334 10.424 1.00 0.00 C ATOM 1444 O LYS A 97 12.324 -7.626 10.966 1.00 0.00 O ATOM 1445 CB LYS A 97 12.167 -10.603 9.775 1.00 0.00 C ATOM 1446 CG LYS A 97 13.086 -11.546 10.626 1.00 0.00 C ATOM 1447 CD LYS A 97 13.241 -11.178 12.129 1.00 0.00 C ATOM 1448 CE LYS A 97 11.910 -11.124 12.887 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.116 -10.869 14.333 1.00 0.00 N ATOM 0 H LYS A 97 14.268 -10.448 8.326 1.00 0.00 H new ATOM 0 HA LYS A 97 12.011 -8.747 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.289 -10.360 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.817 -11.166 8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.691 -12.560 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.077 -11.560 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.893 -11.908 12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.735 -10.209 12.208 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.281 -10.340 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.377 -12.066 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.624 -11.598 14.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.133 -10.897 14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.736 -9.932 14.578 1.00 0.00 H new ATOM 1463 N GLU A 98 14.470 -8.369 10.804 1.00 0.00 N ATOM 1464 CA GLU A 98 15.021 -7.512 11.871 1.00 0.00 C ATOM 1465 C GLU A 98 15.100 -6.060 11.400 1.00 0.00 C ATOM 1466 O GLU A 98 14.912 -5.143 12.194 1.00 0.00 O ATOM 1467 CB GLU A 98 16.414 -8.020 12.351 1.00 0.00 C ATOM 1468 CG GLU A 98 16.363 -9.225 13.314 1.00 0.00 C ATOM 1469 CD GLU A 98 15.642 -8.919 14.638 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.095 -8.009 15.364 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.635 -9.589 14.964 1.00 0.00 O ATOM 0 H GLU A 98 15.159 -8.990 10.381 1.00 0.00 H new ATOM 0 HA GLU A 98 14.346 -7.563 12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.006 -8.294 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.935 -7.199 12.844 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.860 -10.056 12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.380 -9.551 13.530 1.00 0.00 H new ATOM 1478 N ILE A 99 15.341 -5.859 10.095 1.00 0.00 N ATOM 1479 CA ILE A 99 15.404 -4.509 9.514 1.00 0.00 C ATOM 1480 C ILE A 99 13.975 -3.982 9.318 1.00 0.00 C ATOM 1481 O ILE A 99 13.703 -2.798 9.511 1.00 0.00 O ATOM 1482 CB ILE A 99 16.165 -4.497 8.147 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.586 -5.137 8.290 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.267 -3.055 7.602 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.240 -5.496 6.969 1.00 0.00 C ATOM 0 H ILE A 99 15.495 -6.612 9.424 1.00 0.00 H new ATOM 0 HA ILE A 99 15.956 -3.867 10.201 1.00 0.00 H new ATOM 0 HB ILE A 99 15.598 -5.098 7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.233 -4.443 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.508 -6.037 8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.799 -3.062 6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.266 -2.650 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.808 -2.434 8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.221 -5.934 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.617 -6.215 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.353 -4.597 6.363 1.00 0.00 H new ATOM 1497 N GLU A 100 13.086 -4.914 8.953 1.00 0.00 N ATOM 1498 CA GLU A 100 11.651 -4.668 8.757 1.00 0.00 C ATOM 1499 C GLU A 100 11.009 -4.109 10.019 1.00 0.00 C ATOM 1500 O GLU A 100 10.310 -3.112 9.950 1.00 0.00 O ATOM 1501 CB GLU A 100 10.954 -5.990 8.327 1.00 0.00 C ATOM 1502 CG GLU A 100 11.210 -6.377 6.862 1.00 0.00 C ATOM 1503 CD GLU A 100 10.266 -5.661 5.887 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.482 -4.462 5.604 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.285 -6.278 5.417 1.00 0.00 O ATOM 0 H GLU A 100 13.351 -5.884 8.781 1.00 0.00 H new ATOM 0 HA GLU A 100 11.529 -3.923 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.299 -6.798 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.880 -5.892 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.242 -6.140 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.093 -7.455 6.749 1.00 0.00 H new ATOM 1512 N GLU A 101 11.280 -4.755 11.162 1.00 0.00 N ATOM 1513 CA GLU A 101 10.703 -4.359 12.457 1.00 0.00 C ATOM 1514 C GLU A 101 11.364 -3.073 13.000 1.00 0.00 C ATOM 1515 O GLU A 101 10.684 -2.262 13.618 1.00 0.00 O ATOM 1516 CB GLU A 101 10.807 -5.512 13.484 1.00 0.00 C ATOM 1517 CG GLU A 101 12.243 -5.936 13.831 1.00 0.00 C ATOM 1518 CD GLU A 101 12.316 -7.013 14.914 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.842 -8.136 14.676 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.813 -6.733 16.019 1.00 0.00 O ATOM 0 H GLU A 101 11.901 -5.562 11.216 1.00 0.00 H new ATOM 0 HA GLU A 101 9.647 -4.143 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.300 -5.211 14.401 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.272 -6.377 13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.732 -6.305 12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.802 -5.061 14.162 1.00 0.00 H new ATOM 1527 N MET A 102 12.685 -2.891 12.753 1.00 0.00 N ATOM 1528 CA MET A 102 13.424 -1.677 13.191 1.00 0.00 C ATOM 1529 C MET A 102 12.886 -0.431 12.478 1.00 0.00 C ATOM 1530 O MET A 102 12.549 0.570 13.122 1.00 0.00 O ATOM 1531 CB MET A 102 14.961 -1.805 12.947 1.00 0.00 C ATOM 1532 CG MET A 102 15.704 -2.711 13.946 1.00 0.00 C ATOM 1533 SD MET A 102 17.506 -2.655 13.752 1.00 0.00 S ATOM 1534 CE MET A 102 17.743 -3.174 12.051 1.00 0.00 C ATOM 0 H MET A 102 13.261 -3.568 12.253 1.00 0.00 H new ATOM 0 HA MET A 102 13.264 -1.577 14.265 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.123 -2.190 11.940 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.404 -0.810 12.983 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.444 -2.412 14.961 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.363 -3.738 13.819 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.810 -3.247 11.838 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.275 -4.147 11.899 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.289 -2.444 11.381 1.00 0.00 H new ATOM 1544 N ILE A 103 12.798 -0.526 11.142 1.00 0.00 N ATOM 1545 CA ILE A 103 12.270 0.549 10.296 1.00 0.00 C ATOM 1546 C ILE A 103 10.769 0.761 10.572 1.00 0.00 C ATOM 1547 O ILE A 103 10.332 1.892 10.715 1.00 0.00 O ATOM 1548 CB ILE A 103 12.550 0.284 8.764 1.00 0.00 C ATOM 1549 CG1 ILE A 103 14.095 0.341 8.488 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.780 1.269 7.837 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.502 0.210 7.027 1.00 0.00 C ATOM 0 H ILE A 103 13.092 -1.352 10.620 1.00 0.00 H new ATOM 0 HA ILE A 103 12.796 1.468 10.553 1.00 0.00 H new ATOM 0 HB ILE A 103 12.179 -0.713 8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.481 1.285 8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.578 -0.455 9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.008 1.042 6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.708 1.164 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.083 2.292 8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.588 0.262 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.154 -0.746 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.056 1.021 6.451 1.00 0.00 H new ATOM 1563 N ALA A 104 10.001 -0.330 10.713 1.00 0.00 N ATOM 1564 CA ALA A 104 8.555 -0.235 11.009 1.00 0.00 C ATOM 1565 C ALA A 104 8.314 0.384 12.401 1.00 0.00 C ATOM 1566 O ALA A 104 7.309 1.030 12.616 1.00 0.00 O ATOM 1567 CB ALA A 104 7.867 -1.607 10.908 1.00 0.00 C ATOM 0 H ALA A 104 10.350 -1.285 10.628 1.00 0.00 H new ATOM 0 HA ALA A 104 8.114 0.420 10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.806 -1.499 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.987 -2.001 9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.320 -2.295 11.622 1.00 0.00 H new ATOM 1573 N SER A 105 9.263 0.212 13.334 1.00 0.00 N ATOM 1574 CA SER A 105 9.111 0.730 14.710 1.00 0.00 C ATOM 1575 C SER A 105 9.317 2.250 14.734 1.00 0.00 C ATOM 1576 O SER A 105 8.574 2.968 15.409 1.00 0.00 O ATOM 1577 CB SER A 105 10.102 0.033 15.673 1.00 0.00 C ATOM 1578 OG SER A 105 9.940 0.477 17.014 1.00 0.00 O ATOM 0 H SER A 105 10.141 -0.279 13.166 1.00 0.00 H new ATOM 0 HA SER A 105 8.098 0.511 15.048 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.954 -1.046 15.628 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.123 0.229 15.347 1.00 0.00 H new ATOM 0 HG SER A 105 10.582 0.014 17.592 1.00 0.00 H new ATOM 1584 N GLU A 106 10.323 2.728 13.979 1.00 0.00 N ATOM 1585 CA GLU A 106 10.678 4.160 13.932 1.00 0.00 C ATOM 1586 C GLU A 106 9.708 4.955 13.023 1.00 0.00 C ATOM 1587 O GLU A 106 9.377 6.106 13.323 1.00 0.00 O ATOM 1588 CB GLU A 106 12.157 4.342 13.472 1.00 0.00 C ATOM 1589 CG GLU A 106 12.480 3.763 12.085 1.00 0.00 C ATOM 1590 CD GLU A 106 13.931 3.994 11.633 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.279 5.143 11.290 1.00 0.00 O ATOM 1592 OE2 GLU A 106 14.733 3.035 11.626 1.00 0.00 O ATOM 0 H GLU A 106 10.909 2.138 13.388 1.00 0.00 H new ATOM 0 HA GLU A 106 10.581 4.563 14.940 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.393 5.406 13.469 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.811 3.873 14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.279 2.692 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.807 4.207 11.352 1.00 0.00 H new ATOM 1599 N GLN A 107 9.234 4.318 11.930 1.00 0.00 N ATOM 1600 CA GLN A 107 8.395 4.983 10.908 1.00 0.00 C ATOM 1601 C GLN A 107 6.914 5.030 11.326 1.00 0.00 C ATOM 1602 O GLN A 107 6.250 6.056 11.137 1.00 0.00 O ATOM 1603 CB GLN A 107 8.535 4.286 9.526 1.00 0.00 C ATOM 1604 CG GLN A 107 9.951 4.299 8.901 1.00 0.00 C ATOM 1605 CD GLN A 107 10.495 5.673 8.499 1.00 0.00 C ATOM 1606 OE1 GLN A 107 10.208 6.700 9.112 1.00 0.00 O ATOM 1607 NE2 GLN A 107 11.283 5.695 7.438 1.00 0.00 N ATOM 0 H GLN A 107 9.420 3.335 11.732 1.00 0.00 H new ATOM 0 HA GLN A 107 8.756 6.008 10.822 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.215 3.249 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.847 4.764 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.644 3.850 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.942 3.661 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.504 4.828 6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.670 6.579 7.108 1.00 0.00 H new ATOM 1616 N GLN A 108 6.399 3.909 11.867 1.00 0.00 N ATOM 1617 CA GLN A 108 5.010 3.825 12.362 1.00 0.00 C ATOM 1618 C GLN A 108 4.890 4.606 13.700 1.00 0.00 C ATOM 1619 O GLN A 108 4.515 5.794 13.678 1.00 0.00 O ATOM 1620 CB GLN A 108 4.575 2.333 12.534 1.00 0.00 C ATOM 1621 CG GLN A 108 4.568 1.478 11.240 1.00 0.00 C ATOM 1622 CD GLN A 108 3.619 1.968 10.149 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.585 2.577 10.416 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.951 1.673 8.904 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.216 4.041 14.762 1.00 0.00 O ATOM 0 H GLN A 108 6.928 3.043 11.973 1.00 0.00 H new ATOM 0 HA GLN A 108 4.339 4.278 11.632 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.242 1.861 13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.574 2.314 12.965 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.580 1.450 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.301 0.454 11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.816 1.167 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.343 1.952 8.134 1.00 0.00 H new