USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 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 93 ASN : amide:sc= -1.48 K(o=-8.6,f=-9.5) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -166:sc= -7.16! (180deg=-5.41!) USER MOD Set 2.1: A 69 CYS SG : rot -129:sc= -0.621! USER MOD Set 2.2: A 78 GLN : amide:sc= -3.16! C(o=-3.8!,f=-6.3!) USER MOD Set 3.1: A 32 CYS SG : rot -135:sc= -1.19! USER MOD Set 3.2: A 35 CYS SG : rot 117:sc= 0.964! USER MOD Set 3.3: A 74 THR OG1 : rot 180:sc= 0.0779 USER MOD Set 4.1: A 1 MET N :NH3+ -161:sc= 0 (180deg=-0.203) USER MOD Set 4.2: A 46 SER OG : rot -100:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0024 USER MOD Single : A 12 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -1.08 (180deg=-1.95!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= -0.766 (180deg=-2.17!) USER MOD Single : A 43 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-6.7!) USER MOD Single : A 44 SER OG : rot 30:sc= 0.483! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.2) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.082) USER MOD Single : A 67 SER OG : rot 87:sc= 1.18 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.104 (180deg=-0.235) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.346 USER MOD Single : A 76 THR OG1 : rot 81:sc= 0.605 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -130:sc= -0.728 (180deg=-2.44!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 67:sc= -0.0472 USER MOD Single : A 102 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.161 -1.127 9.718 1.00 0.61 N ATOM 2 CA MET A 1 -5.918 -0.838 10.492 1.00 0.90 C ATOM 3 C MET A 1 -4.695 -1.097 9.609 1.00 0.67 C ATOM 4 O MET A 1 -4.414 -2.223 9.247 1.00 0.65 O ATOM 5 CB MET A 1 -5.836 -1.729 11.734 1.00 1.20 C ATOM 6 CG MET A 1 -7.076 -1.501 12.603 1.00 1.24 C ATOM 7 SD MET A 1 -6.831 -1.435 14.396 1.00 2.27 S ATOM 8 CE MET A 1 -8.567 -1.628 14.869 1.00 2.56 C ATOM 0 H1 MET A 1 -7.971 -0.661 10.175 1.00 0.61 H new ATOM 0 H2 MET A 1 -7.057 -0.767 8.748 1.00 0.61 H new ATOM 0 H3 MET A 1 -7.322 -2.154 9.691 1.00 0.61 H new ATOM 0 HA MET A 1 -5.940 0.206 10.806 1.00 0.90 H new ATOM 0 HB2 MET A 1 -5.771 -2.777 11.440 1.00 1.20 H new ATOM 0 HB3 MET A 1 -4.933 -1.500 12.301 1.00 1.20 H new ATOM 0 HG2 MET A 1 -7.539 -0.565 12.291 1.00 1.24 H new ATOM 0 HG3 MET A 1 -7.789 -2.297 12.389 1.00 1.24 H new ATOM 0 HE1 MET A 1 -8.652 -1.615 15.956 1.00 2.56 H new ATOM 0 HE2 MET A 1 -9.152 -0.809 14.450 1.00 2.56 H new ATOM 0 HE3 MET A 1 -8.945 -2.576 14.487 1.00 2.56 H new ATOM 20 N VAL A 2 -3.993 -0.047 9.280 1.00 0.57 N ATOM 21 CA VAL A 2 -2.785 -0.215 8.424 1.00 0.38 C ATOM 22 C VAL A 2 -1.848 -1.261 9.042 1.00 0.35 C ATOM 23 O VAL A 2 -1.879 -1.493 10.235 1.00 0.33 O ATOM 24 CB VAL A 2 -2.058 1.123 8.326 1.00 0.45 C ATOM 25 CG1 VAL A 2 -1.000 1.039 7.226 1.00 0.37 C ATOM 26 CG2 VAL A 2 -3.067 2.218 7.976 1.00 0.51 C ATOM 0 H VAL A 2 -4.201 0.911 9.564 1.00 0.57 H new ATOM 0 HA VAL A 2 -3.086 -0.550 7.431 1.00 0.38 H new ATOM 0 HB VAL A 2 -1.580 1.355 9.278 1.00 0.45 H new ATOM 0 HG11 VAL A 2 -0.477 1.992 7.151 1.00 0.37 H new ATOM 0 HG12 VAL A 2 -0.286 0.251 7.467 1.00 0.37 H new ATOM 0 HG13 VAL A 2 -1.482 0.813 6.274 1.00 0.37 H new ATOM 0 HG21 VAL A 2 -2.553 3.177 7.905 1.00 0.51 H new ATOM 0 HG22 VAL A 2 -3.538 1.987 7.021 1.00 0.51 H new ATOM 0 HG23 VAL A 2 -3.830 2.272 8.753 1.00 0.51 H new ATOM 36 N LYS A 3 -1.038 -1.871 8.217 1.00 0.38 N ATOM 37 CA LYS A 3 -0.092 -2.905 8.744 1.00 0.36 C ATOM 38 C LYS A 3 1.271 -2.776 8.055 1.00 0.29 C ATOM 39 O LYS A 3 1.351 -2.652 6.849 1.00 0.38 O ATOM 40 CB LYS A 3 -0.667 -4.295 8.478 1.00 0.37 C ATOM 41 CG LYS A 3 0.269 -5.348 9.079 1.00 0.46 C ATOM 42 CD LYS A 3 -0.461 -6.693 9.150 1.00 0.35 C ATOM 43 CE LYS A 3 0.426 -7.708 9.872 1.00 0.86 C ATOM 44 NZ LYS A 3 -0.298 -8.996 10.058 1.00 1.22 N ATOM 0 H LYS A 3 -0.988 -1.703 7.212 1.00 0.38 H new ATOM 0 HA LYS A 3 0.039 -2.756 9.816 1.00 0.36 H new ATOM 0 HB2 LYS A 3 -1.661 -4.381 8.917 1.00 0.37 H new ATOM 0 HB3 LYS A 3 -0.777 -4.458 7.406 1.00 0.37 H new ATOM 0 HG2 LYS A 3 1.169 -5.441 8.471 1.00 0.46 H new ATOM 0 HG3 LYS A 3 0.588 -5.041 10.075 1.00 0.46 H new ATOM 0 HD2 LYS A 3 -1.408 -6.579 9.678 1.00 0.35 H new ATOM 0 HD3 LYS A 3 -0.696 -7.046 8.146 1.00 0.35 H new ATOM 0 HE2 LYS A 3 1.337 -7.876 9.298 1.00 0.86 H new ATOM 0 HE3 LYS A 3 0.728 -7.311 10.841 1.00 0.86 H new ATOM 0 HZ1 LYS A 3 0.319 -9.673 10.550 1.00 1.22 H new ATOM 0 HZ2 LYS A 3 -1.155 -8.834 10.625 1.00 1.22 H new ATOM 0 HZ3 LYS A 3 -0.565 -9.382 9.130 1.00 1.22 H new ATOM 58 N GLN A 4 2.314 -2.808 8.840 1.00 0.35 N ATOM 59 CA GLN A 4 3.680 -2.690 8.249 1.00 0.29 C ATOM 60 C GLN A 4 4.247 -4.081 7.943 1.00 0.21 C ATOM 61 O GLN A 4 4.047 -5.015 8.696 1.00 0.15 O ATOM 62 CB GLN A 4 4.593 -1.975 9.243 1.00 0.42 C ATOM 63 CG GLN A 4 5.947 -1.711 8.581 1.00 0.43 C ATOM 64 CD GLN A 4 6.782 -0.794 9.478 1.00 0.60 C ATOM 65 OE1 GLN A 4 7.824 -1.174 9.974 1.00 1.62 O ATOM 66 NE2 GLN A 4 6.359 0.419 9.712 1.00 0.62 N ATOM 0 H GLN A 4 2.282 -2.910 9.854 1.00 0.35 H new ATOM 0 HA GLN A 4 3.622 -2.122 7.321 1.00 0.29 H new ATOM 0 HB2 GLN A 4 4.140 -1.036 9.560 1.00 0.42 H new ATOM 0 HB3 GLN A 4 4.724 -2.584 10.138 1.00 0.42 H new ATOM 0 HG2 GLN A 4 6.472 -2.652 8.415 1.00 0.43 H new ATOM 0 HG3 GLN A 4 5.803 -1.249 7.604 1.00 0.43 H new ATOM 0 HE21 GLN A 4 5.485 0.743 9.298 1.00 0.62 H new ATOM 0 HE22 GLN A 4 6.903 1.042 10.309 1.00 0.62 H new ATOM 75 N ILE A 5 4.942 -4.190 6.843 1.00 0.22 N ATOM 76 CA ILE A 5 5.528 -5.514 6.472 1.00 0.19 C ATOM 77 C ILE A 5 6.948 -5.637 7.043 1.00 0.30 C ATOM 78 O ILE A 5 7.415 -4.761 7.742 1.00 0.43 O ATOM 79 CB ILE A 5 5.577 -5.627 4.940 1.00 0.22 C ATOM 80 CG1 ILE A 5 4.199 -5.257 4.356 1.00 0.21 C ATOM 81 CG2 ILE A 5 5.961 -7.066 4.527 1.00 0.21 C ATOM 82 CD1 ILE A 5 3.100 -6.101 5.017 1.00 0.11 C ATOM 0 H ILE A 5 5.129 -3.429 6.190 1.00 0.22 H new ATOM 0 HA ILE A 5 4.912 -6.313 6.883 1.00 0.19 H new ATOM 0 HB ILE A 5 6.329 -4.941 4.550 1.00 0.22 H new ATOM 0 HG12 ILE A 5 4.000 -4.197 4.517 1.00 0.21 H new ATOM 0 HG13 ILE A 5 4.196 -5.422 3.279 1.00 0.21 H new ATOM 0 HG21 ILE A 5 5.993 -7.136 3.440 1.00 0.21 H new ATOM 0 HG22 ILE A 5 6.941 -7.313 4.936 1.00 0.21 H new ATOM 0 HG23 ILE A 5 5.220 -7.766 4.914 1.00 0.21 H new ATOM 0 HD11 ILE A 5 2.131 -5.831 4.597 1.00 0.11 H new ATOM 0 HD12 ILE A 5 3.293 -7.158 4.834 1.00 0.11 H new ATOM 0 HD13 ILE A 5 3.094 -5.914 6.091 1.00 0.11 H new ATOM 94 N GLU A 6 7.603 -6.725 6.729 1.00 0.28 N ATOM 95 CA GLU A 6 8.990 -6.918 7.246 1.00 0.38 C ATOM 96 C GLU A 6 9.854 -7.631 6.198 1.00 0.31 C ATOM 97 O GLU A 6 10.977 -7.239 5.949 1.00 0.25 O ATOM 98 CB GLU A 6 8.930 -7.759 8.522 1.00 0.54 C ATOM 99 CG GLU A 6 10.307 -8.369 8.789 1.00 1.59 C ATOM 100 CD GLU A 6 10.442 -8.676 10.282 1.00 1.75 C ATOM 101 OE1 GLU A 6 9.821 -9.643 10.692 1.00 2.01 O ATOM 102 OE2 GLU A 6 11.156 -7.926 10.927 1.00 2.28 O ATOM 0 H GLU A 6 7.243 -7.479 6.144 1.00 0.28 H new ATOM 0 HA GLU A 6 9.435 -5.946 7.460 1.00 0.38 H new ATOM 0 HB2 GLU A 6 8.624 -7.140 9.365 1.00 0.54 H new ATOM 0 HB3 GLU A 6 8.184 -8.547 8.417 1.00 0.54 H new ATOM 0 HG2 GLU A 6 10.433 -9.281 8.205 1.00 1.59 H new ATOM 0 HG3 GLU A 6 11.090 -7.679 8.475 1.00 1.59 H new ATOM 109 N SER A 7 9.313 -8.663 5.605 1.00 0.36 N ATOM 110 CA SER A 7 10.097 -9.408 4.574 1.00 0.30 C ATOM 111 C SER A 7 9.174 -9.908 3.457 1.00 0.27 C ATOM 112 O SER A 7 8.003 -9.587 3.424 1.00 0.25 O ATOM 113 CB SER A 7 10.786 -10.600 5.236 1.00 0.39 C ATOM 114 OG SER A 7 9.730 -11.294 5.886 1.00 0.40 O ATOM 0 H SER A 7 8.375 -9.019 5.786 1.00 0.36 H new ATOM 0 HA SER A 7 10.840 -8.739 4.140 1.00 0.30 H new ATOM 0 HB2 SER A 7 11.284 -11.231 4.500 1.00 0.39 H new ATOM 0 HB3 SER A 7 11.547 -10.277 5.946 1.00 0.39 H new ATOM 0 HG SER A 7 10.089 -12.084 6.341 1.00 0.40 H new ATOM 120 N LYS A 8 9.726 -10.685 2.562 1.00 0.28 N ATOM 121 CA LYS A 8 8.900 -11.217 1.437 1.00 0.26 C ATOM 122 C LYS A 8 7.898 -12.244 1.956 1.00 0.22 C ATOM 123 O LYS A 8 6.708 -12.121 1.743 1.00 0.09 O ATOM 124 CB LYS A 8 9.818 -11.874 0.408 1.00 0.32 C ATOM 125 CG LYS A 8 8.965 -12.506 -0.695 1.00 0.40 C ATOM 126 CD LYS A 8 9.861 -12.847 -1.888 1.00 0.47 C ATOM 127 CE LYS A 8 9.317 -14.097 -2.583 1.00 0.73 C ATOM 128 NZ LYS A 8 9.970 -14.281 -3.910 1.00 1.53 N ATOM 0 H LYS A 8 10.705 -10.973 2.560 1.00 0.28 H new ATOM 0 HA LYS A 8 8.353 -10.395 0.975 1.00 0.26 H new ATOM 0 HB2 LYS A 8 10.495 -11.134 -0.018 1.00 0.32 H new ATOM 0 HB3 LYS A 8 10.436 -12.633 0.887 1.00 0.32 H new ATOM 0 HG2 LYS A 8 8.476 -13.406 -0.323 1.00 0.40 H new ATOM 0 HG3 LYS A 8 8.177 -11.818 -1.001 1.00 0.40 H new ATOM 0 HD2 LYS A 8 9.890 -12.011 -2.587 1.00 0.47 H new ATOM 0 HD3 LYS A 8 10.884 -13.018 -1.553 1.00 0.47 H new ATOM 0 HE2 LYS A 8 9.494 -14.973 -1.959 1.00 0.73 H new ATOM 0 HE3 LYS A 8 8.238 -14.009 -2.711 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 9.590 -15.133 -4.369 1.00 1.53 H new ATOM 0 HZ2 LYS A 8 9.780 -13.452 -4.508 1.00 1.53 H new ATOM 0 HZ3 LYS A 8 10.996 -14.386 -3.780 1.00 1.53 H new ATOM 142 N THR A 9 8.401 -13.233 2.624 1.00 0.39 N ATOM 143 CA THR A 9 7.495 -14.281 3.169 1.00 0.41 C ATOM 144 C THR A 9 6.324 -13.615 3.876 1.00 0.25 C ATOM 145 O THR A 9 5.205 -14.083 3.821 1.00 0.27 O ATOM 146 CB THR A 9 8.270 -15.156 4.158 1.00 0.57 C ATOM 147 OG1 THR A 9 9.365 -15.671 3.406 1.00 0.62 O ATOM 148 CG2 THR A 9 7.461 -16.379 4.577 1.00 0.68 C ATOM 0 H THR A 9 9.393 -13.366 2.818 1.00 0.39 H new ATOM 0 HA THR A 9 7.119 -14.903 2.357 1.00 0.41 H new ATOM 0 HB THR A 9 8.533 -14.574 5.041 1.00 0.57 H new ATOM 0 HG1 THR A 9 9.914 -16.246 3.979 1.00 0.62 H new ATOM 0 HG21 THR A 9 8.042 -16.977 5.279 1.00 0.68 H new ATOM 0 HG22 THR A 9 6.535 -16.057 5.054 1.00 0.68 H new ATOM 0 HG23 THR A 9 7.226 -16.979 3.698 1.00 0.68 H new ATOM 156 N ALA A 10 6.615 -12.533 4.524 1.00 0.22 N ATOM 157 CA ALA A 10 5.543 -11.794 5.233 1.00 0.18 C ATOM 158 C ALA A 10 4.555 -11.238 4.210 1.00 0.14 C ATOM 159 O ALA A 10 3.371 -11.498 4.274 1.00 0.14 O ATOM 160 CB ALA A 10 6.164 -10.644 6.018 1.00 0.34 C ATOM 0 H ALA A 10 7.548 -12.126 4.595 1.00 0.22 H new ATOM 0 HA ALA A 10 5.021 -12.463 5.917 1.00 0.18 H new ATOM 0 HB1 ALA A 10 5.381 -10.096 6.542 1.00 0.34 H new ATOM 0 HB2 ALA A 10 6.876 -11.040 6.742 1.00 0.34 H new ATOM 0 HB3 ALA A 10 6.680 -9.972 5.332 1.00 0.34 H new ATOM 166 N PHE A 11 5.073 -10.478 3.285 1.00 0.15 N ATOM 167 CA PHE A 11 4.195 -9.905 2.231 1.00 0.15 C ATOM 168 C PHE A 11 3.356 -11.023 1.610 1.00 0.23 C ATOM 169 O PHE A 11 2.252 -10.805 1.167 1.00 0.28 O ATOM 170 CB PHE A 11 5.077 -9.267 1.155 1.00 0.06 C ATOM 171 CG PHE A 11 4.200 -8.602 0.090 1.00 0.09 C ATOM 172 CD1 PHE A 11 3.429 -7.496 0.403 1.00 0.17 C ATOM 173 CD2 PHE A 11 4.169 -9.098 -1.203 1.00 0.05 C ATOM 174 CE1 PHE A 11 2.642 -6.898 -0.561 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.382 -8.498 -2.165 1.00 0.08 C ATOM 176 CZ PHE A 11 2.619 -7.399 -1.844 1.00 0.16 C ATOM 0 H PHE A 11 6.060 -10.231 3.215 1.00 0.15 H new ATOM 0 HA PHE A 11 3.531 -9.154 2.660 1.00 0.15 H new ATOM 0 HB2 PHE A 11 5.740 -8.528 1.606 1.00 0.06 H new ATOM 0 HB3 PHE A 11 5.711 -10.025 0.695 1.00 0.06 H new ATOM 0 HD1 PHE A 11 3.443 -7.098 1.407 1.00 0.17 H new ATOM 0 HD2 PHE A 11 4.765 -9.961 -1.460 1.00 0.05 H new ATOM 0 HE1 PHE A 11 2.043 -6.035 -0.309 1.00 0.20 H new ATOM 0 HE2 PHE A 11 3.365 -8.891 -3.171 1.00 0.08 H new ATOM 0 HZ PHE A 11 2.003 -6.930 -2.597 1.00 0.16 H new ATOM 186 N GLN A 12 3.912 -12.201 1.597 1.00 0.29 N ATOM 187 CA GLN A 12 3.177 -13.362 1.010 1.00 0.40 C ATOM 188 C GLN A 12 2.099 -13.863 1.975 1.00 0.53 C ATOM 189 O GLN A 12 1.046 -14.307 1.563 1.00 0.88 O ATOM 190 CB GLN A 12 4.179 -14.484 0.725 1.00 0.49 C ATOM 191 CG GLN A 12 3.499 -15.584 -0.091 1.00 1.25 C ATOM 192 CD GLN A 12 3.201 -15.064 -1.499 1.00 0.76 C ATOM 193 OE1 GLN A 12 4.087 -14.645 -2.218 1.00 1.06 O ATOM 194 NE2 GLN A 12 1.970 -15.072 -1.930 1.00 1.46 N ATOM 0 H GLN A 12 4.839 -12.413 1.965 1.00 0.29 H new ATOM 0 HA GLN A 12 2.689 -13.050 0.087 1.00 0.40 H new ATOM 0 HB2 GLN A 12 5.036 -14.090 0.179 1.00 0.49 H new ATOM 0 HB3 GLN A 12 4.558 -14.893 1.661 1.00 0.49 H new ATOM 0 HG2 GLN A 12 4.142 -16.462 -0.145 1.00 1.25 H new ATOM 0 HG3 GLN A 12 2.575 -15.895 0.397 1.00 1.25 H new ATOM 0 HE21 GLN A 12 1.222 -15.422 -1.331 1.00 1.46 H new ATOM 0 HE22 GLN A 12 1.755 -14.728 -2.866 1.00 1.46 H new ATOM 203 N GLU A 13 2.387 -13.777 3.238 1.00 0.34 N ATOM 204 CA GLU A 13 1.398 -14.252 4.252 1.00 0.41 C ATOM 205 C GLU A 13 0.263 -13.235 4.417 1.00 0.36 C ATOM 206 O GLU A 13 -0.890 -13.602 4.531 1.00 0.47 O ATOM 207 CB GLU A 13 2.109 -14.445 5.590 1.00 0.43 C ATOM 208 CG GLU A 13 3.036 -15.657 5.495 1.00 0.83 C ATOM 209 CD GLU A 13 2.351 -16.873 6.122 1.00 1.45 C ATOM 210 OE1 GLU A 13 2.373 -16.939 7.340 1.00 0.97 O ATOM 211 OE2 GLU A 13 1.843 -17.667 5.347 1.00 2.70 O ATOM 0 H GLU A 13 3.257 -13.402 3.616 1.00 0.34 H new ATOM 0 HA GLU A 13 0.970 -15.196 3.915 1.00 0.41 H new ATOM 0 HB2 GLU A 13 2.682 -13.553 5.843 1.00 0.43 H new ATOM 0 HB3 GLU A 13 1.379 -14.592 6.386 1.00 0.43 H new ATOM 0 HG2 GLU A 13 3.280 -15.861 4.452 1.00 0.83 H new ATOM 0 HG3 GLU A 13 3.976 -15.451 6.008 1.00 0.83 H new ATOM 218 N ALA A 14 0.613 -11.978 4.428 1.00 0.27 N ATOM 219 CA ALA A 14 -0.438 -10.929 4.589 1.00 0.30 C ATOM 220 C ALA A 14 -1.509 -11.083 3.505 1.00 0.37 C ATOM 221 O ALA A 14 -2.689 -10.981 3.776 1.00 0.48 O ATOM 222 CB ALA A 14 0.210 -9.551 4.478 1.00 0.24 C ATOM 0 H ALA A 14 1.568 -11.633 4.334 1.00 0.27 H new ATOM 0 HA ALA A 14 -0.909 -11.039 5.566 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -0.552 -8.780 4.595 1.00 0.24 H new ATOM 0 HB2 ALA A 14 0.962 -9.439 5.259 1.00 0.24 H new ATOM 0 HB3 ALA A 14 0.683 -9.449 3.501 1.00 0.24 H new ATOM 228 N LEU A 15 -1.073 -11.325 2.301 1.00 0.31 N ATOM 229 CA LEU A 15 -2.051 -11.492 1.187 1.00 0.37 C ATOM 230 C LEU A 15 -2.818 -12.805 1.356 1.00 0.43 C ATOM 231 O LEU A 15 -3.812 -13.038 0.697 1.00 0.49 O ATOM 232 CB LEU A 15 -1.290 -11.508 -0.143 1.00 0.35 C ATOM 233 CG LEU A 15 -0.525 -10.189 -0.306 1.00 0.30 C ATOM 234 CD1 LEU A 15 0.270 -10.228 -1.611 1.00 0.25 C ATOM 235 CD2 LEU A 15 -1.510 -9.021 -0.355 1.00 0.34 C ATOM 0 H LEU A 15 -0.091 -11.414 2.040 1.00 0.31 H new ATOM 0 HA LEU A 15 -2.762 -10.666 1.199 1.00 0.37 H new ATOM 0 HB2 LEU A 15 -0.597 -12.349 -0.168 1.00 0.35 H new ATOM 0 HB3 LEU A 15 -1.985 -11.643 -0.971 1.00 0.35 H new ATOM 0 HG LEU A 15 0.151 -10.057 0.539 1.00 0.30 H new ATOM 0 HD11 LEU A 15 0.816 -9.293 -1.732 1.00 0.25 H new ATOM 0 HD12 LEU A 15 0.975 -11.059 -1.583 1.00 0.25 H new ATOM 0 HD13 LEU A 15 -0.414 -10.361 -2.450 1.00 0.25 H new ATOM 0 HD21 LEU A 15 -0.961 -8.087 -0.471 1.00 0.34 H new ATOM 0 HD22 LEU A 15 -2.187 -9.151 -1.199 1.00 0.34 H new ATOM 0 HD23 LEU A 15 -2.085 -8.991 0.570 1.00 0.34 H new ATOM 247 N ASP A 16 -2.339 -13.632 2.239 1.00 0.43 N ATOM 248 CA ASP A 16 -3.028 -14.935 2.471 1.00 0.50 C ATOM 249 C ASP A 16 -3.995 -14.816 3.652 1.00 0.52 C ATOM 250 O ASP A 16 -4.853 -15.656 3.841 1.00 0.67 O ATOM 251 CB ASP A 16 -1.982 -16.008 2.770 1.00 0.50 C ATOM 252 CG ASP A 16 -2.558 -17.386 2.434 1.00 0.59 C ATOM 253 OD1 ASP A 16 -3.190 -17.939 3.320 1.00 1.33 O ATOM 254 OD2 ASP A 16 -2.333 -17.807 1.312 1.00 1.64 O ATOM 0 H ASP A 16 -1.508 -13.467 2.807 1.00 0.43 H new ATOM 0 HA ASP A 16 -3.593 -15.208 1.580 1.00 0.50 H new ATOM 0 HB2 ASP A 16 -1.080 -15.826 2.185 1.00 0.50 H new ATOM 0 HB3 ASP A 16 -1.694 -15.968 3.820 1.00 0.50 H new ATOM 259 N ALA A 17 -3.830 -13.772 4.419 1.00 0.37 N ATOM 260 CA ALA A 17 -4.726 -13.569 5.600 1.00 0.39 C ATOM 261 C ALA A 17 -5.743 -12.457 5.312 1.00 0.42 C ATOM 262 O ALA A 17 -6.659 -12.237 6.080 1.00 0.51 O ATOM 263 CB ALA A 17 -3.876 -13.176 6.808 1.00 0.32 C ATOM 0 H ALA A 17 -3.119 -13.054 4.282 1.00 0.37 H new ATOM 0 HA ALA A 17 -5.264 -14.495 5.804 1.00 0.39 H new ATOM 0 HB1 ALA A 17 -4.521 -13.026 7.674 1.00 0.32 H new ATOM 0 HB2 ALA A 17 -3.160 -13.969 7.022 1.00 0.32 H new ATOM 0 HB3 ALA A 17 -3.340 -12.252 6.591 1.00 0.32 H new ATOM 269 N ALA A 18 -5.559 -11.782 4.211 1.00 0.37 N ATOM 270 CA ALA A 18 -6.504 -10.679 3.861 1.00 0.40 C ATOM 271 C ALA A 18 -7.725 -11.237 3.123 1.00 0.47 C ATOM 272 O ALA A 18 -8.827 -10.749 3.286 1.00 0.93 O ATOM 273 CB ALA A 18 -5.786 -9.672 2.966 1.00 0.34 C ATOM 0 H ALA A 18 -4.804 -11.942 3.544 1.00 0.37 H new ATOM 0 HA ALA A 18 -6.840 -10.193 4.777 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -6.470 -8.864 2.706 1.00 0.34 H new ATOM 0 HB2 ALA A 18 -4.925 -9.263 3.496 1.00 0.34 H new ATOM 0 HB3 ALA A 18 -5.450 -10.169 2.056 1.00 0.34 H new ATOM 279 N GLY A 19 -7.501 -12.247 2.325 1.00 0.84 N ATOM 280 CA GLY A 19 -8.632 -12.849 1.562 1.00 0.98 C ATOM 281 C GLY A 19 -8.640 -12.324 0.125 1.00 0.88 C ATOM 282 O GLY A 19 -7.745 -12.610 -0.644 1.00 1.01 O ATOM 0 H GLY A 19 -6.590 -12.679 2.169 1.00 0.84 H new ATOM 0 HA2 GLY A 19 -8.541 -13.935 1.559 1.00 0.98 H new ATOM 0 HA3 GLY A 19 -9.577 -12.610 2.049 1.00 0.98 H new ATOM 286 N ASP A 20 -9.657 -11.568 -0.203 1.00 0.70 N ATOM 287 CA ASP A 20 -9.746 -11.007 -1.588 1.00 0.64 C ATOM 288 C ASP A 20 -10.128 -9.521 -1.544 1.00 0.41 C ATOM 289 O ASP A 20 -9.955 -8.809 -2.512 1.00 0.45 O ATOM 290 CB ASP A 20 -10.806 -11.781 -2.372 1.00 0.75 C ATOM 291 CG ASP A 20 -11.550 -12.724 -1.423 1.00 0.27 C ATOM 292 OD1 ASP A 20 -12.421 -12.221 -0.733 1.00 1.19 O ATOM 293 OD2 ASP A 20 -11.205 -13.894 -1.443 1.00 1.18 O ATOM 0 H ASP A 20 -10.424 -11.316 0.421 1.00 0.70 H new ATOM 0 HA ASP A 20 -8.775 -11.103 -2.073 1.00 0.64 H new ATOM 0 HB2 ASP A 20 -11.507 -11.089 -2.839 1.00 0.75 H new ATOM 0 HB3 ASP A 20 -10.337 -12.350 -3.175 1.00 0.75 H new ATOM 298 N LYS A 21 -10.642 -9.086 -0.423 1.00 0.30 N ATOM 299 CA LYS A 21 -11.032 -7.649 -0.306 1.00 0.18 C ATOM 300 C LYS A 21 -9.927 -6.763 -0.884 1.00 0.15 C ATOM 301 O LYS A 21 -8.774 -7.132 -0.883 1.00 0.24 O ATOM 302 CB LYS A 21 -11.242 -7.305 1.168 1.00 0.39 C ATOM 303 CG LYS A 21 -12.561 -7.931 1.647 1.00 0.12 C ATOM 304 CD LYS A 21 -12.362 -8.589 3.021 1.00 0.50 C ATOM 305 CE LYS A 21 -12.099 -7.504 4.070 1.00 1.76 C ATOM 306 NZ LYS A 21 -11.981 -8.110 5.427 1.00 2.12 N ATOM 0 H LYS A 21 -10.807 -9.655 0.407 1.00 0.30 H new ATOM 0 HA LYS A 21 -11.955 -7.477 -0.860 1.00 0.18 H new ATOM 0 HB2 LYS A 21 -10.410 -7.680 1.764 1.00 0.39 H new ATOM 0 HB3 LYS A 21 -11.269 -6.224 1.302 1.00 0.39 H new ATOM 0 HG2 LYS A 21 -13.335 -7.166 1.710 1.00 0.12 H new ATOM 0 HG3 LYS A 21 -12.904 -8.673 0.926 1.00 0.12 H new ATOM 0 HD2 LYS A 21 -13.246 -9.166 3.292 1.00 0.50 H new ATOM 0 HD3 LYS A 21 -11.525 -9.286 2.985 1.00 0.50 H new ATOM 0 HE2 LYS A 21 -11.183 -6.966 3.824 1.00 1.76 H new ATOM 0 HE3 LYS A 21 -12.909 -6.775 4.060 1.00 1.76 H new ATOM 0 HZ1 LYS A 21 -11.803 -7.362 6.127 1.00 2.12 H new ATOM 0 HZ2 LYS A 21 -12.865 -8.603 5.665 1.00 2.12 H new ATOM 0 HZ3 LYS A 21 -11.193 -8.788 5.437 1.00 2.12 H new ATOM 320 N LEU A 22 -10.302 -5.612 -1.364 1.00 0.10 N ATOM 321 CA LEU A 22 -9.277 -4.698 -1.944 1.00 0.19 C ATOM 322 C LEU A 22 -8.066 -4.596 -1.011 1.00 0.18 C ATOM 323 O LEU A 22 -8.192 -4.173 0.121 1.00 0.38 O ATOM 324 CB LEU A 22 -9.893 -3.311 -2.121 1.00 0.29 C ATOM 325 CG LEU A 22 -9.775 -2.880 -3.580 1.00 0.20 C ATOM 326 CD1 LEU A 22 -10.668 -3.775 -4.443 1.00 1.29 C ATOM 327 CD2 LEU A 22 -10.234 -1.423 -3.702 1.00 1.52 C ATOM 0 H LEU A 22 -11.261 -5.266 -1.381 1.00 0.10 H new ATOM 0 HA LEU A 22 -8.949 -5.092 -2.906 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -10.940 -3.326 -1.820 1.00 0.29 H new ATOM 0 HB3 LEU A 22 -9.386 -2.592 -1.477 1.00 0.29 H new ATOM 0 HG LEU A 22 -8.742 -2.970 -3.916 1.00 0.20 H new ATOM 0 HD11 LEU A 22 -10.587 -3.471 -5.487 1.00 1.29 H new ATOM 0 HD12 LEU A 22 -10.350 -4.813 -4.341 1.00 1.29 H new ATOM 0 HD13 LEU A 22 -11.703 -3.679 -4.116 1.00 1.29 H new ATOM 0 HD21 LEU A 22 -10.155 -1.102 -4.741 1.00 1.52 H new ATOM 0 HD22 LEU A 22 -11.270 -1.339 -3.375 1.00 1.52 H new ATOM 0 HD23 LEU A 22 -9.604 -0.790 -3.078 1.00 1.52 H new ATOM 339 N VAL A 23 -6.918 -4.992 -1.506 1.00 0.20 N ATOM 340 CA VAL A 23 -5.681 -4.909 -0.668 1.00 0.19 C ATOM 341 C VAL A 23 -4.713 -3.912 -1.305 1.00 0.20 C ATOM 342 O VAL A 23 -4.047 -4.226 -2.271 1.00 0.19 O ATOM 343 CB VAL A 23 -5.014 -6.285 -0.597 1.00 0.19 C ATOM 344 CG1 VAL A 23 -3.944 -6.263 0.492 1.00 0.14 C ATOM 345 CG2 VAL A 23 -6.055 -7.356 -0.261 1.00 0.40 C ATOM 0 H VAL A 23 -6.785 -5.366 -2.446 1.00 0.20 H new ATOM 0 HA VAL A 23 -5.943 -4.582 0.338 1.00 0.19 H new ATOM 0 HB VAL A 23 -4.562 -6.518 -1.561 1.00 0.19 H new ATOM 0 HG11 VAL A 23 -3.463 -7.240 0.550 1.00 0.14 H new ATOM 0 HG12 VAL A 23 -3.198 -5.505 0.254 1.00 0.14 H new ATOM 0 HG13 VAL A 23 -4.406 -6.029 1.451 1.00 0.14 H new ATOM 0 HG21 VAL A 23 -5.571 -8.331 -0.213 1.00 0.40 H new ATOM 0 HG22 VAL A 23 -6.512 -7.130 0.702 1.00 0.40 H new ATOM 0 HG23 VAL A 23 -6.824 -7.371 -1.033 1.00 0.40 H new ATOM 355 N VAL A 24 -4.654 -2.732 -0.749 1.00 0.26 N ATOM 356 CA VAL A 24 -3.740 -1.697 -1.324 1.00 0.28 C ATOM 357 C VAL A 24 -2.449 -1.607 -0.506 1.00 0.33 C ATOM 358 O VAL A 24 -2.458 -1.819 0.691 1.00 0.58 O ATOM 359 CB VAL A 24 -4.453 -0.347 -1.309 1.00 0.30 C ATOM 360 CG1 VAL A 24 -3.530 0.713 -1.907 1.00 0.33 C ATOM 361 CG2 VAL A 24 -5.724 -0.443 -2.153 1.00 0.28 C ATOM 0 H VAL A 24 -5.191 -2.440 0.068 1.00 0.26 H new ATOM 0 HA VAL A 24 -3.482 -1.973 -2.346 1.00 0.28 H new ATOM 0 HB VAL A 24 -4.711 -0.075 -0.285 1.00 0.30 H new ATOM 0 HG11 VAL A 24 -4.033 1.680 -1.899 1.00 0.33 H new ATOM 0 HG12 VAL A 24 -2.616 0.775 -1.316 1.00 0.33 H new ATOM 0 HG13 VAL A 24 -3.281 0.442 -2.933 1.00 0.33 H new ATOM 0 HG21 VAL A 24 -6.238 0.518 -2.147 1.00 0.28 H new ATOM 0 HG22 VAL A 24 -5.461 -0.707 -3.177 1.00 0.28 H new ATOM 0 HG23 VAL A 24 -6.380 -1.208 -1.738 1.00 0.28 H new ATOM 371 N VAL A 25 -1.364 -1.295 -1.178 1.00 0.16 N ATOM 372 CA VAL A 25 -0.052 -1.184 -0.462 1.00 0.17 C ATOM 373 C VAL A 25 0.565 0.193 -0.684 1.00 0.20 C ATOM 374 O VAL A 25 0.554 0.710 -1.783 1.00 0.36 O ATOM 375 CB VAL A 25 0.916 -2.238 -0.996 1.00 0.18 C ATOM 376 CG1 VAL A 25 2.236 -2.138 -0.230 1.00 0.16 C ATOM 377 CG2 VAL A 25 0.334 -3.631 -0.796 1.00 0.25 C ATOM 0 H VAL A 25 -1.330 -1.114 -2.181 1.00 0.16 H new ATOM 0 HA VAL A 25 -0.230 -1.336 0.603 1.00 0.17 H new ATOM 0 HB VAL A 25 1.082 -2.065 -2.059 1.00 0.18 H new ATOM 0 HG11 VAL A 25 2.932 -2.888 -0.606 1.00 0.16 H new ATOM 0 HG12 VAL A 25 2.663 -1.145 -0.368 1.00 0.16 H new ATOM 0 HG13 VAL A 25 2.055 -2.310 0.831 1.00 0.16 H new ATOM 0 HG21 VAL A 25 1.032 -4.375 -1.180 1.00 0.25 H new ATOM 0 HG22 VAL A 25 0.165 -3.806 0.267 1.00 0.25 H new ATOM 0 HG23 VAL A 25 -0.612 -3.710 -1.331 1.00 0.25 H new ATOM 387 N ASP A 26 1.091 0.753 0.373 1.00 0.18 N ATOM 388 CA ASP A 26 1.739 2.091 0.251 1.00 0.16 C ATOM 389 C ASP A 26 3.261 1.940 0.317 1.00 0.15 C ATOM 390 O ASP A 26 3.845 1.956 1.385 1.00 0.16 O ATOM 391 CB ASP A 26 1.274 2.979 1.400 1.00 0.15 C ATOM 392 CG ASP A 26 2.191 4.200 1.500 1.00 0.43 C ATOM 393 OD1 ASP A 26 2.390 4.815 0.465 1.00 0.64 O ATOM 394 OD2 ASP A 26 2.642 4.450 2.606 1.00 1.47 O ATOM 0 H ASP A 26 1.100 0.346 1.308 1.00 0.18 H new ATOM 0 HA ASP A 26 1.462 2.540 -0.703 1.00 0.16 H new ATOM 0 HB2 ASP A 26 0.244 3.296 1.236 1.00 0.15 H new ATOM 0 HB3 ASP A 26 1.290 2.420 2.336 1.00 0.15 H new ATOM 399 N PHE A 27 3.869 1.781 -0.821 1.00 0.14 N ATOM 400 CA PHE A 27 5.353 1.642 -0.846 1.00 0.14 C ATOM 401 C PHE A 27 5.998 3.016 -0.670 1.00 0.15 C ATOM 402 O PHE A 27 6.222 3.725 -1.631 1.00 0.16 O ATOM 403 CB PHE A 27 5.771 1.058 -2.185 1.00 0.13 C ATOM 404 CG PHE A 27 5.421 -0.429 -2.227 1.00 0.09 C ATOM 405 CD1 PHE A 27 6.295 -1.362 -1.703 1.00 0.06 C ATOM 406 CD2 PHE A 27 4.229 -0.864 -2.789 1.00 0.09 C ATOM 407 CE1 PHE A 27 5.990 -2.706 -1.741 1.00 0.04 C ATOM 408 CE2 PHE A 27 3.932 -2.212 -2.824 1.00 0.06 C ATOM 409 CZ PHE A 27 4.812 -3.129 -2.300 1.00 0.03 C ATOM 0 H PHE A 27 3.409 1.741 -1.731 1.00 0.14 H new ATOM 0 HA PHE A 27 5.675 0.986 -0.037 1.00 0.14 H new ATOM 0 HB2 PHE A 27 5.267 1.584 -2.996 1.00 0.13 H new ATOM 0 HB3 PHE A 27 6.842 1.194 -2.334 1.00 0.13 H new ATOM 0 HD1 PHE A 27 7.224 -1.036 -1.260 1.00 0.06 H new ATOM 0 HD2 PHE A 27 3.533 -0.147 -3.199 1.00 0.09 H new ATOM 0 HE1 PHE A 27 6.681 -3.427 -1.329 1.00 0.04 H new ATOM 0 HE2 PHE A 27 3.005 -2.547 -3.265 1.00 0.06 H new ATOM 0 HZ PHE A 27 4.575 -4.182 -2.329 1.00 0.03 H new ATOM 419 N SER A 28 6.281 3.364 0.555 1.00 0.20 N ATOM 420 CA SER A 28 6.899 4.697 0.813 1.00 0.22 C ATOM 421 C SER A 28 7.947 4.593 1.925 1.00 0.26 C ATOM 422 O SER A 28 8.159 3.536 2.487 1.00 0.38 O ATOM 423 CB SER A 28 5.804 5.671 1.237 1.00 0.22 C ATOM 424 OG SER A 28 6.193 6.908 0.659 1.00 1.50 O ATOM 0 H SER A 28 6.114 2.790 1.382 1.00 0.20 H new ATOM 0 HA SER A 28 7.388 5.050 -0.095 1.00 0.22 H new ATOM 0 HB2 SER A 28 4.826 5.353 0.875 1.00 0.22 H new ATOM 0 HB3 SER A 28 5.734 5.743 2.322 1.00 0.22 H new ATOM 0 HG SER A 28 5.533 7.596 0.885 1.00 1.50 H new ATOM 430 N ALA A 29 8.581 5.698 2.213 1.00 0.16 N ATOM 431 CA ALA A 29 9.616 5.691 3.289 1.00 0.20 C ATOM 432 C ALA A 29 9.016 6.214 4.599 1.00 0.23 C ATOM 433 O ALA A 29 8.526 7.324 4.660 1.00 0.24 O ATOM 434 CB ALA A 29 10.778 6.586 2.867 1.00 0.19 C ATOM 0 H ALA A 29 8.430 6.597 1.756 1.00 0.16 H new ATOM 0 HA ALA A 29 9.969 4.672 3.445 1.00 0.20 H new ATOM 0 HB1 ALA A 29 11.539 6.587 3.648 1.00 0.19 H new ATOM 0 HB2 ALA A 29 11.210 6.209 1.940 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.417 7.603 2.712 1.00 0.19 H new ATOM 440 N THR A 30 9.069 5.401 5.620 1.00 0.41 N ATOM 441 CA THR A 30 8.501 5.834 6.931 1.00 0.46 C ATOM 442 C THR A 30 9.482 6.755 7.661 1.00 0.48 C ATOM 443 O THR A 30 9.083 7.633 8.402 1.00 0.52 O ATOM 444 CB THR A 30 8.232 4.596 7.791 1.00 0.54 C ATOM 445 OG1 THR A 30 7.535 5.091 8.930 1.00 0.53 O ATOM 446 CG2 THR A 30 9.526 4.000 8.337 1.00 0.55 C ATOM 0 H THR A 30 9.476 4.466 5.605 1.00 0.41 H new ATOM 0 HA THR A 30 7.574 6.379 6.755 1.00 0.46 H new ATOM 0 HB THR A 30 7.706 3.843 7.204 1.00 0.54 H new ATOM 0 HG1 THR A 30 7.325 4.348 9.533 1.00 0.53 H new ATOM 0 HG21 THR A 30 9.296 3.123 8.942 1.00 0.55 H new ATOM 0 HG22 THR A 30 10.171 3.709 7.508 1.00 0.55 H new ATOM 0 HG23 THR A 30 10.037 4.741 8.951 1.00 0.55 H new ATOM 454 N TRP A 31 10.742 6.533 7.437 1.00 0.47 N ATOM 455 CA TRP A 31 11.773 7.377 8.108 1.00 0.51 C ATOM 456 C TRP A 31 11.787 8.788 7.509 1.00 0.44 C ATOM 457 O TRP A 31 11.775 9.770 8.224 1.00 0.48 O ATOM 458 CB TRP A 31 13.133 6.730 7.893 1.00 0.55 C ATOM 459 CG TRP A 31 13.349 6.544 6.390 1.00 0.46 C ATOM 460 CD1 TRP A 31 12.924 5.486 5.707 1.00 0.41 C ATOM 461 CD2 TRP A 31 13.961 7.409 5.594 1.00 0.44 C ATOM 462 NE1 TRP A 31 13.310 5.745 4.450 1.00 0.35 N ATOM 463 CE2 TRP A 31 13.970 6.941 4.292 1.00 0.38 C ATOM 464 CE3 TRP A 31 14.539 8.641 5.876 1.00 0.48 C ATOM 465 CZ2 TRP A 31 14.545 7.686 3.289 1.00 0.40 C ATOM 466 CZ3 TRP A 31 15.115 9.382 4.866 1.00 0.49 C ATOM 467 CH2 TRP A 31 15.119 8.906 3.574 1.00 0.46 C ATOM 0 H TRP A 31 11.107 5.807 6.821 1.00 0.47 H new ATOM 0 HA TRP A 31 11.544 7.453 9.171 1.00 0.51 H new ATOM 0 HB2 TRP A 31 13.921 7.355 8.315 1.00 0.55 H new ATOM 0 HB3 TRP A 31 13.180 5.769 8.404 1.00 0.55 H new ATOM 0 HD1 TRP A 31 12.393 4.622 6.077 1.00 0.41 H new ATOM 0 HE1 TRP A 31 13.129 5.108 3.675 1.00 0.35 H new ATOM 0 HE3 TRP A 31 14.537 9.019 6.888 1.00 0.48 H new ATOM 0 HZ2 TRP A 31 14.547 7.314 2.275 1.00 0.40 H new ATOM 0 HZ3 TRP A 31 15.564 10.338 5.089 1.00 0.49 H new ATOM 0 HH2 TRP A 31 15.571 9.488 2.785 1.00 0.46 H new ATOM 478 N CYS A 32 11.816 8.855 6.207 1.00 0.34 N ATOM 479 CA CYS A 32 11.840 10.187 5.542 1.00 0.28 C ATOM 480 C CYS A 32 10.714 11.070 6.087 1.00 0.26 C ATOM 481 O CYS A 32 9.851 10.604 6.805 1.00 0.28 O ATOM 482 CB CYS A 32 11.664 9.999 4.041 1.00 0.21 C ATOM 483 SG CYS A 32 11.110 11.432 3.086 1.00 0.50 S ATOM 0 H CYS A 32 11.824 8.051 5.579 1.00 0.34 H new ATOM 0 HA CYS A 32 12.795 10.673 5.744 1.00 0.28 H new ATOM 0 HB2 CYS A 32 12.617 9.666 3.629 1.00 0.21 H new ATOM 0 HB3 CYS A 32 10.949 9.192 3.884 1.00 0.21 H new ATOM 0 HG CYS A 32 10.184 11.065 2.251 1.00 0.50 H new ATOM 489 N GLY A 33 10.744 12.326 5.730 1.00 0.22 N ATOM 490 CA GLY A 33 9.685 13.258 6.224 1.00 0.24 C ATOM 491 C GLY A 33 8.574 13.447 5.174 1.00 0.22 C ATOM 492 O GLY A 33 7.473 12.964 5.338 1.00 0.24 O ATOM 0 H GLY A 33 11.448 12.746 5.123 1.00 0.22 H new ATOM 0 HA2 GLY A 33 9.255 12.867 7.146 1.00 0.24 H new ATOM 0 HA3 GLY A 33 10.130 14.224 6.464 1.00 0.24 H new ATOM 496 N PRO A 34 8.898 14.155 4.111 1.00 0.20 N ATOM 497 CA PRO A 34 7.937 14.424 3.029 1.00 0.19 C ATOM 498 C PRO A 34 7.227 13.143 2.577 1.00 0.17 C ATOM 499 O PRO A 34 6.066 13.170 2.219 1.00 0.19 O ATOM 500 CB PRO A 34 8.776 15.010 1.889 1.00 0.14 C ATOM 501 CG PRO A 34 10.206 15.272 2.456 1.00 0.13 C ATOM 502 CD PRO A 34 10.239 14.721 3.896 1.00 0.20 C ATOM 0 HA PRO A 34 7.149 15.104 3.354 1.00 0.19 H new ATOM 0 HB2 PRO A 34 8.817 14.319 1.047 1.00 0.14 H new ATOM 0 HB3 PRO A 34 8.332 15.935 1.521 1.00 0.14 H new ATOM 0 HG2 PRO A 34 10.959 14.781 1.840 1.00 0.13 H new ATOM 0 HG3 PRO A 34 10.433 16.338 2.448 1.00 0.13 H new ATOM 0 HD2 PRO A 34 11.012 13.962 4.012 1.00 0.20 H new ATOM 0 HD3 PRO A 34 10.456 15.509 4.617 1.00 0.20 H new ATOM 510 N CYS A 35 7.934 12.050 2.600 1.00 0.19 N ATOM 511 CA CYS A 35 7.300 10.770 2.171 1.00 0.23 C ATOM 512 C CYS A 35 6.224 10.356 3.178 1.00 0.27 C ATOM 513 O CYS A 35 5.206 9.805 2.809 1.00 0.36 O ATOM 514 CB CYS A 35 8.365 9.682 2.088 1.00 0.20 C ATOM 515 SG CYS A 35 9.695 9.907 0.880 1.00 0.24 S ATOM 0 H CYS A 35 8.909 11.984 2.892 1.00 0.19 H new ATOM 0 HA CYS A 35 6.838 10.908 1.193 1.00 0.23 H new ATOM 0 HB2 CYS A 35 8.819 9.580 3.074 1.00 0.20 H new ATOM 0 HB3 CYS A 35 7.866 8.738 1.867 1.00 0.20 H new ATOM 0 HG CYS A 35 10.832 10.011 1.501 1.00 0.24 H new ATOM 521 N LYS A 36 6.472 10.629 4.431 1.00 0.24 N ATOM 522 CA LYS A 36 5.472 10.255 5.465 1.00 0.29 C ATOM 523 C LYS A 36 4.486 11.405 5.696 1.00 0.33 C ATOM 524 O LYS A 36 3.431 11.210 6.247 1.00 0.63 O ATOM 525 CB LYS A 36 6.193 9.921 6.774 1.00 0.28 C ATOM 526 CG LYS A 36 5.144 9.456 7.797 1.00 0.32 C ATOM 527 CD LYS A 36 5.819 8.832 9.031 1.00 0.27 C ATOM 528 CE LYS A 36 6.059 9.919 10.088 1.00 0.74 C ATOM 529 NZ LYS A 36 6.873 11.033 9.526 1.00 1.84 N ATOM 0 H LYS A 36 7.314 11.089 4.778 1.00 0.24 H new ATOM 0 HA LYS A 36 4.916 9.383 5.120 1.00 0.29 H new ATOM 0 HB2 LYS A 36 6.936 9.140 6.610 1.00 0.28 H new ATOM 0 HB3 LYS A 36 6.726 10.795 7.148 1.00 0.28 H new ATOM 0 HG2 LYS A 36 4.529 10.302 8.103 1.00 0.32 H new ATOM 0 HG3 LYS A 36 4.477 8.728 7.335 1.00 0.32 H new ATOM 0 HD2 LYS A 36 5.190 8.042 9.442 1.00 0.27 H new ATOM 0 HD3 LYS A 36 6.765 8.371 8.747 1.00 0.27 H new ATOM 0 HE2 LYS A 36 5.103 10.304 10.443 1.00 0.74 H new ATOM 0 HE3 LYS A 36 6.569 9.488 10.950 1.00 0.74 H new ATOM 0 HZ1 LYS A 36 7.320 11.562 10.302 1.00 1.84 H new ATOM 0 HZ2 LYS A 36 7.609 10.645 8.903 1.00 1.84 H new ATOM 0 HZ3 LYS A 36 6.259 11.671 8.981 1.00 1.84 H new ATOM 543 N MET A 37 4.849 12.582 5.273 1.00 0.05 N ATOM 544 CA MET A 37 3.923 13.741 5.465 1.00 0.06 C ATOM 545 C MET A 37 2.581 13.460 4.773 1.00 0.11 C ATOM 546 O MET A 37 1.621 14.183 4.947 1.00 0.32 O ATOM 547 CB MET A 37 4.561 14.990 4.863 1.00 0.04 C ATOM 548 CG MET A 37 3.948 16.233 5.511 1.00 0.25 C ATOM 549 SD MET A 37 4.344 17.836 4.770 1.00 0.97 S ATOM 550 CE MET A 37 5.974 18.046 5.531 1.00 1.83 C ATOM 0 H MET A 37 5.732 12.795 4.809 1.00 0.05 H new ATOM 0 HA MET A 37 3.744 13.893 6.529 1.00 0.06 H new ATOM 0 HB2 MET A 37 5.639 14.976 5.024 1.00 0.04 H new ATOM 0 HB3 MET A 37 4.400 15.011 3.785 1.00 0.04 H new ATOM 0 HG2 MET A 37 2.864 16.117 5.505 1.00 0.25 H new ATOM 0 HG3 MET A 37 4.260 16.258 6.555 1.00 0.25 H new ATOM 0 HE1 MET A 37 6.409 18.990 5.204 1.00 1.83 H new ATOM 0 HE2 MET A 37 5.871 18.050 6.616 1.00 1.83 H new ATOM 0 HE3 MET A 37 6.624 17.224 5.231 1.00 1.83 H new ATOM 560 N ILE A 38 2.554 12.408 4.003 1.00 0.18 N ATOM 561 CA ILE A 38 1.295 12.038 3.281 1.00 0.18 C ATOM 562 C ILE A 38 0.524 10.959 4.081 1.00 0.20 C ATOM 563 O ILE A 38 -0.465 10.426 3.633 1.00 0.28 O ATOM 564 CB ILE A 38 1.704 11.549 1.861 1.00 0.37 C ATOM 565 CG1 ILE A 38 1.536 12.726 0.888 1.00 0.65 C ATOM 566 CG2 ILE A 38 0.830 10.375 1.375 1.00 1.09 C ATOM 567 CD1 ILE A 38 2.075 12.346 -0.498 1.00 1.81 C ATOM 0 H ILE A 38 3.346 11.786 3.840 1.00 0.18 H new ATOM 0 HA ILE A 38 0.620 12.889 3.185 1.00 0.18 H new ATOM 0 HB ILE A 38 2.735 11.199 1.901 1.00 0.37 H new ATOM 0 HG12 ILE A 38 0.484 13.000 0.815 1.00 0.65 H new ATOM 0 HG13 ILE A 38 2.067 13.599 1.266 1.00 0.65 H new ATOM 0 HG21 ILE A 38 1.153 10.069 0.380 1.00 1.09 H new ATOM 0 HG22 ILE A 38 0.931 9.536 2.064 1.00 1.09 H new ATOM 0 HG23 ILE A 38 -0.213 10.689 1.337 1.00 1.09 H new ATOM 0 HD11 ILE A 38 1.951 13.187 -1.180 1.00 1.81 H new ATOM 0 HD12 ILE A 38 3.133 12.094 -0.421 1.00 1.81 H new ATOM 0 HD13 ILE A 38 1.525 11.486 -0.879 1.00 1.81 H new ATOM 579 N LYS A 39 0.981 10.689 5.272 1.00 0.29 N ATOM 580 CA LYS A 39 0.292 9.655 6.104 1.00 0.49 C ATOM 581 C LYS A 39 -1.202 10.005 6.352 1.00 0.53 C ATOM 582 O LYS A 39 -2.065 9.185 6.118 1.00 0.55 O ATOM 583 CB LYS A 39 1.010 9.509 7.453 1.00 0.90 C ATOM 584 CG LYS A 39 1.647 8.119 7.545 1.00 0.42 C ATOM 585 CD LYS A 39 2.290 7.953 8.921 1.00 0.80 C ATOM 586 CE LYS A 39 3.034 6.617 8.967 1.00 0.55 C ATOM 587 NZ LYS A 39 3.650 6.406 10.306 1.00 0.81 N ATOM 0 H LYS A 39 1.792 11.132 5.704 1.00 0.29 H new ATOM 0 HA LYS A 39 0.329 8.715 5.553 1.00 0.49 H new ATOM 0 HB2 LYS A 39 1.775 10.279 7.555 1.00 0.90 H new ATOM 0 HB3 LYS A 39 0.303 9.652 8.270 1.00 0.90 H new ATOM 0 HG2 LYS A 39 0.892 7.348 7.387 1.00 0.42 H new ATOM 0 HG3 LYS A 39 2.396 7.996 6.763 1.00 0.42 H new ATOM 0 HD2 LYS A 39 2.980 8.774 9.116 1.00 0.80 H new ATOM 0 HD3 LYS A 39 1.527 7.986 9.699 1.00 0.80 H new ATOM 0 HE2 LYS A 39 2.344 5.803 8.746 1.00 0.55 H new ATOM 0 HE3 LYS A 39 3.807 6.598 8.198 1.00 0.55 H new ATOM 0 HZ1 LYS A 39 4.593 5.982 10.192 1.00 0.81 H new ATOM 0 HZ2 LYS A 39 3.738 7.319 10.795 1.00 0.81 H new ATOM 0 HZ3 LYS A 39 3.050 5.769 10.868 1.00 0.81 H new ATOM 601 N PRO A 40 -1.488 11.223 6.813 1.00 0.69 N ATOM 602 CA PRO A 40 -2.877 11.617 7.106 1.00 0.94 C ATOM 603 C PRO A 40 -3.783 11.477 5.875 1.00 0.91 C ATOM 604 O PRO A 40 -4.961 11.766 5.941 1.00 1.15 O ATOM 605 CB PRO A 40 -2.799 13.079 7.554 1.00 1.09 C ATOM 606 CG PRO A 40 -1.294 13.473 7.597 1.00 0.96 C ATOM 607 CD PRO A 40 -0.487 12.282 7.049 1.00 0.68 C ATOM 0 HA PRO A 40 -3.312 10.974 7.870 1.00 0.94 H new ATOM 0 HB2 PRO A 40 -3.344 13.722 6.863 1.00 1.09 H new ATOM 0 HB3 PRO A 40 -3.257 13.205 8.535 1.00 1.09 H new ATOM 0 HG2 PRO A 40 -1.114 14.366 6.998 1.00 0.96 H new ATOM 0 HG3 PRO A 40 -0.988 13.707 8.617 1.00 0.96 H new ATOM 0 HD2 PRO A 40 0.033 12.547 6.128 1.00 0.68 H new ATOM 0 HD3 PRO A 40 0.272 11.957 7.761 1.00 0.68 H new ATOM 615 N PHE A 41 -3.214 11.039 4.780 1.00 0.67 N ATOM 616 CA PHE A 41 -4.034 10.863 3.539 1.00 0.76 C ATOM 617 C PHE A 41 -4.300 9.369 3.289 1.00 0.68 C ATOM 618 O PHE A 41 -5.432 8.959 3.132 1.00 0.77 O ATOM 619 CB PHE A 41 -3.285 11.478 2.357 1.00 0.73 C ATOM 620 CG PHE A 41 -3.309 13.001 2.495 1.00 0.83 C ATOM 621 CD1 PHE A 41 -2.499 13.636 3.421 1.00 0.57 C ATOM 622 CD2 PHE A 41 -4.143 13.764 1.698 1.00 1.21 C ATOM 623 CE1 PHE A 41 -2.525 15.009 3.545 1.00 0.66 C ATOM 624 CE2 PHE A 41 -4.167 15.138 1.825 1.00 1.30 C ATOM 625 CZ PHE A 41 -3.359 15.760 2.749 1.00 1.00 C ATOM 0 H PHE A 41 -2.227 10.797 4.690 1.00 0.67 H new ATOM 0 HA PHE A 41 -4.994 11.365 3.658 1.00 0.76 H new ATOM 0 HB2 PHE A 41 -2.257 11.118 2.333 1.00 0.73 H new ATOM 0 HB3 PHE A 41 -3.750 11.177 1.418 1.00 0.73 H new ATOM 0 HD1 PHE A 41 -1.843 13.053 4.050 1.00 0.57 H new ATOM 0 HD2 PHE A 41 -4.780 13.281 0.971 1.00 1.21 H new ATOM 0 HE1 PHE A 41 -1.889 15.496 4.269 1.00 0.66 H new ATOM 0 HE2 PHE A 41 -4.821 15.726 1.198 1.00 1.30 H new ATOM 0 HZ PHE A 41 -3.379 16.835 2.849 1.00 1.00 H new ATOM 635 N PHE A 42 -3.251 8.586 3.260 1.00 0.51 N ATOM 636 CA PHE A 42 -3.436 7.116 3.032 1.00 0.42 C ATOM 637 C PHE A 42 -3.724 6.412 4.361 1.00 0.42 C ATOM 638 O PHE A 42 -4.510 5.488 4.425 1.00 0.48 O ATOM 639 CB PHE A 42 -2.157 6.528 2.431 1.00 0.31 C ATOM 640 CG PHE A 42 -2.326 5.010 2.281 1.00 0.25 C ATOM 641 CD1 PHE A 42 -3.287 4.495 1.430 1.00 0.25 C ATOM 642 CD2 PHE A 42 -1.521 4.129 2.996 1.00 0.25 C ATOM 643 CE1 PHE A 42 -3.443 3.129 1.293 1.00 0.27 C ATOM 644 CE2 PHE A 42 -1.683 2.765 2.856 1.00 0.19 C ATOM 645 CZ PHE A 42 -2.641 2.267 2.007 1.00 0.22 C ATOM 0 H PHE A 42 -2.286 8.893 3.382 1.00 0.51 H new ATOM 0 HA PHE A 42 -4.274 6.967 2.350 1.00 0.42 H new ATOM 0 HB2 PHE A 42 -1.954 6.982 1.461 1.00 0.31 H new ATOM 0 HB3 PHE A 42 -1.304 6.750 3.072 1.00 0.31 H new ATOM 0 HD1 PHE A 42 -3.920 5.166 0.868 1.00 0.25 H new ATOM 0 HD2 PHE A 42 -0.765 4.514 3.664 1.00 0.25 H new ATOM 0 HE1 PHE A 42 -4.195 2.737 0.625 1.00 0.27 H new ATOM 0 HE2 PHE A 42 -1.055 2.088 3.416 1.00 0.19 H new ATOM 0 HZ PHE A 42 -2.765 1.200 1.899 1.00 0.22 H new ATOM 655 N HIS A 43 -3.073 6.872 5.387 1.00 0.40 N ATOM 656 CA HIS A 43 -3.259 6.251 6.731 1.00 0.41 C ATOM 657 C HIS A 43 -4.573 6.732 7.360 1.00 0.51 C ATOM 658 O HIS A 43 -4.990 6.239 8.389 1.00 0.54 O ATOM 659 CB HIS A 43 -2.076 6.672 7.596 1.00 0.40 C ATOM 660 CG HIS A 43 -1.958 5.768 8.821 1.00 0.40 C ATOM 661 ND1 HIS A 43 -2.875 5.051 9.279 1.00 0.45 N ATOM 662 CD2 HIS A 43 -0.866 5.543 9.647 1.00 0.40 C ATOM 663 CE1 HIS A 43 -2.487 4.399 10.300 1.00 0.47 C ATOM 664 NE2 HIS A 43 -1.214 4.653 10.610 1.00 0.41 N ATOM 0 H HIS A 43 -2.418 7.653 5.357 1.00 0.40 H new ATOM 0 HA HIS A 43 -3.306 5.165 6.648 1.00 0.41 H new ATOM 0 HB2 HIS A 43 -1.157 6.625 7.012 1.00 0.40 H new ATOM 0 HB3 HIS A 43 -2.200 7.708 7.912 1.00 0.40 H new ATOM 0 HD1 HIS A 43 -3.814 4.996 8.884 1.00 0.45 H new ATOM 0 HD2 HIS A 43 0.105 6.003 9.540 1.00 0.40 H new ATOM 0 HE1 HIS A 43 -3.116 3.717 10.853 1.00 0.47 H new ATOM 672 N SER A 44 -5.197 7.686 6.722 1.00 0.63 N ATOM 673 CA SER A 44 -6.487 8.211 7.262 1.00 0.74 C ATOM 674 C SER A 44 -7.653 7.361 6.755 1.00 0.71 C ATOM 675 O SER A 44 -8.764 7.474 7.234 1.00 0.84 O ATOM 676 CB SER A 44 -6.673 9.654 6.798 1.00 0.87 C ATOM 677 OG SER A 44 -8.082 9.826 6.753 1.00 1.60 O ATOM 0 H SER A 44 -4.874 8.122 5.858 1.00 0.63 H new ATOM 0 HA SER A 44 -6.465 8.170 8.351 1.00 0.74 H new ATOM 0 HB2 SER A 44 -6.208 10.358 7.488 1.00 0.87 H new ATOM 0 HB3 SER A 44 -6.220 9.820 5.821 1.00 0.87 H new ATOM 0 HG SER A 44 -8.504 9.248 7.423 1.00 1.60 H new ATOM 683 N LEU A 45 -7.373 6.527 5.795 1.00 0.55 N ATOM 684 CA LEU A 45 -8.450 5.657 5.239 1.00 0.51 C ATOM 685 C LEU A 45 -8.673 4.448 6.152 1.00 0.48 C ATOM 686 O LEU A 45 -9.610 3.696 5.973 1.00 0.46 O ATOM 687 CB LEU A 45 -8.035 5.180 3.849 1.00 0.48 C ATOM 688 CG LEU A 45 -7.648 6.391 2.996 1.00 0.53 C ATOM 689 CD1 LEU A 45 -7.191 5.911 1.618 1.00 0.59 C ATOM 690 CD2 LEU A 45 -8.862 7.309 2.832 1.00 0.56 C ATOM 0 H LEU A 45 -6.452 6.409 5.372 1.00 0.55 H new ATOM 0 HA LEU A 45 -9.378 6.225 5.175 1.00 0.51 H new ATOM 0 HB2 LEU A 45 -7.195 4.490 3.924 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -8.854 4.636 3.379 1.00 0.48 H new ATOM 0 HG LEU A 45 -6.841 6.937 3.484 1.00 0.53 H new ATOM 0 HD11 LEU A 45 -6.914 6.770 1.007 1.00 0.59 H new ATOM 0 HD12 LEU A 45 -6.330 5.252 1.729 1.00 0.59 H new ATOM 0 HD13 LEU A 45 -8.003 5.368 1.134 1.00 0.59 H new ATOM 0 HD21 LEU A 45 -8.587 8.171 2.225 1.00 0.56 H new ATOM 0 HD22 LEU A 45 -9.668 6.763 2.342 1.00 0.56 H new ATOM 0 HD23 LEU A 45 -9.197 7.648 3.812 1.00 0.56 H new ATOM 702 N SER A 46 -7.803 4.290 7.111 1.00 0.48 N ATOM 703 CA SER A 46 -7.942 3.137 8.048 1.00 0.47 C ATOM 704 C SER A 46 -9.241 3.262 8.853 1.00 0.51 C ATOM 705 O SER A 46 -9.857 2.273 9.201 1.00 0.56 O ATOM 706 CB SER A 46 -6.752 3.126 9.005 1.00 0.47 C ATOM 707 OG SER A 46 -7.202 2.355 10.109 1.00 0.56 O ATOM 0 H SER A 46 -7.007 4.903 7.287 1.00 0.48 H new ATOM 0 HA SER A 46 -7.970 2.210 7.475 1.00 0.47 H new ATOM 0 HB2 SER A 46 -5.872 2.682 8.541 1.00 0.47 H new ATOM 0 HB3 SER A 46 -6.476 4.136 9.310 1.00 0.47 H new ATOM 0 HG SER A 46 -7.478 2.953 10.835 1.00 0.56 H new ATOM 713 N GLU A 47 -9.628 4.476 9.132 1.00 0.55 N ATOM 714 CA GLU A 47 -10.880 4.687 9.918 1.00 0.67 C ATOM 715 C GLU A 47 -12.099 4.736 8.988 1.00 0.47 C ATOM 716 O GLU A 47 -13.119 4.137 9.267 1.00 0.47 O ATOM 717 CB GLU A 47 -10.771 6.008 10.681 1.00 0.93 C ATOM 718 CG GLU A 47 -9.742 5.857 11.804 1.00 1.15 C ATOM 719 CD GLU A 47 -8.352 5.659 11.197 1.00 2.79 C ATOM 720 OE1 GLU A 47 -7.952 6.545 10.460 1.00 4.16 O ATOM 721 OE2 GLU A 47 -7.768 4.634 11.505 1.00 3.12 O ATOM 0 H GLU A 47 -9.137 5.326 8.853 1.00 0.55 H new ATOM 0 HA GLU A 47 -11.006 3.858 10.614 1.00 0.67 H new ATOM 0 HB2 GLU A 47 -10.474 6.809 10.004 1.00 0.93 H new ATOM 0 HB3 GLU A 47 -11.741 6.284 11.095 1.00 0.93 H new ATOM 0 HG2 GLU A 47 -9.750 6.742 12.441 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -9.999 5.007 12.436 1.00 1.15 H new ATOM 728 N LYS A 48 -11.967 5.450 7.903 1.00 0.41 N ATOM 729 CA LYS A 48 -13.111 5.551 6.950 1.00 0.31 C ATOM 730 C LYS A 48 -13.467 4.165 6.392 1.00 0.22 C ATOM 731 O LYS A 48 -14.476 3.591 6.750 1.00 0.35 O ATOM 732 CB LYS A 48 -12.723 6.484 5.802 1.00 0.49 C ATOM 733 CG LYS A 48 -13.991 6.959 5.092 1.00 0.83 C ATOM 734 CD LYS A 48 -13.606 7.627 3.770 1.00 2.09 C ATOM 735 CE LYS A 48 -14.879 7.987 3.002 1.00 2.51 C ATOM 736 NZ LYS A 48 -14.540 8.548 1.663 1.00 3.53 N ATOM 0 H LYS A 48 -11.127 5.963 7.636 1.00 0.41 H new ATOM 0 HA LYS A 48 -13.980 5.948 7.474 1.00 0.31 H new ATOM 0 HB2 LYS A 48 -12.164 7.338 6.184 1.00 0.49 H new ATOM 0 HB3 LYS A 48 -12.071 5.965 5.100 1.00 0.49 H new ATOM 0 HG2 LYS A 48 -14.656 6.116 4.907 1.00 0.83 H new ATOM 0 HG3 LYS A 48 -14.535 7.662 5.724 1.00 0.83 H new ATOM 0 HD2 LYS A 48 -13.015 8.523 3.960 1.00 2.09 H new ATOM 0 HD3 LYS A 48 -12.986 6.956 3.176 1.00 2.09 H new ATOM 0 HE2 LYS A 48 -15.503 7.101 2.884 1.00 2.51 H new ATOM 0 HE3 LYS A 48 -15.461 8.713 3.570 1.00 2.51 H new ATOM 0 HZ1 LYS A 48 -15.415 8.787 1.155 1.00 3.53 H new ATOM 0 HZ2 LYS A 48 -13.963 9.405 1.782 1.00 3.53 H new ATOM 0 HZ3 LYS A 48 -14.004 7.843 1.117 1.00 3.53 H new ATOM 750 N TYR A 49 -12.628 3.659 5.531 1.00 0.28 N ATOM 751 CA TYR A 49 -12.904 2.314 4.940 1.00 0.25 C ATOM 752 C TYR A 49 -12.579 1.214 5.957 1.00 0.35 C ATOM 753 O TYR A 49 -11.428 0.924 6.215 1.00 0.57 O ATOM 754 CB TYR A 49 -12.033 2.129 3.700 1.00 0.29 C ATOM 755 CG TYR A 49 -12.673 2.854 2.512 1.00 0.38 C ATOM 756 CD1 TYR A 49 -13.793 2.335 1.894 1.00 0.49 C ATOM 757 CD2 TYR A 49 -12.136 4.036 2.040 1.00 0.49 C ATOM 758 CE1 TYR A 49 -14.368 2.987 0.821 1.00 0.59 C ATOM 759 CE2 TYR A 49 -12.711 4.689 0.968 1.00 0.67 C ATOM 760 CZ TYR A 49 -13.832 4.169 0.351 1.00 0.68 C ATOM 761 OH TYR A 49 -14.405 4.820 -0.723 1.00 0.85 O ATOM 0 H TYR A 49 -11.771 4.111 5.212 1.00 0.28 H new ATOM 0 HA TYR A 49 -13.958 2.247 4.671 1.00 0.25 H new ATOM 0 HB2 TYR A 49 -11.033 2.522 3.883 1.00 0.29 H new ATOM 0 HB3 TYR A 49 -11.922 1.068 3.475 1.00 0.29 H new ATOM 0 HD1 TYR A 49 -14.223 1.411 2.253 1.00 0.49 H new ATOM 0 HD2 TYR A 49 -11.259 4.453 2.513 1.00 0.49 H new ATOM 0 HE1 TYR A 49 -15.243 2.569 0.346 1.00 0.59 H new ATOM 0 HE2 TYR A 49 -12.281 5.613 0.609 1.00 0.67 H new ATOM 0 HH TYR A 49 -13.899 5.636 -0.919 1.00 0.85 H new ATOM 771 N SER A 50 -13.603 0.626 6.517 1.00 0.30 N ATOM 772 CA SER A 50 -13.368 -0.455 7.521 1.00 0.41 C ATOM 773 C SER A 50 -13.426 -1.831 6.851 1.00 0.48 C ATOM 774 O SER A 50 -12.986 -2.815 7.412 1.00 0.60 O ATOM 775 CB SER A 50 -14.439 -0.371 8.607 1.00 0.43 C ATOM 776 OG SER A 50 -15.636 -0.745 7.943 1.00 0.33 O ATOM 0 H SER A 50 -14.581 0.843 6.326 1.00 0.30 H new ATOM 0 HA SER A 50 -12.379 -0.323 7.961 1.00 0.41 H new ATOM 0 HB2 SER A 50 -14.218 -1.041 9.438 1.00 0.43 H new ATOM 0 HB3 SER A 50 -14.510 0.635 9.020 1.00 0.43 H new ATOM 0 HG SER A 50 -16.383 -0.719 8.576 1.00 0.33 H new ATOM 782 N ASN A 51 -13.964 -1.867 5.664 1.00 0.53 N ATOM 783 CA ASN A 51 -14.065 -3.171 4.937 1.00 0.68 C ATOM 784 C ASN A 51 -12.956 -3.280 3.884 1.00 0.53 C ATOM 785 O ASN A 51 -13.160 -3.828 2.820 1.00 0.37 O ATOM 786 CB ASN A 51 -15.428 -3.254 4.248 1.00 0.98 C ATOM 787 CG ASN A 51 -15.698 -4.703 3.836 1.00 1.25 C ATOM 788 OD1 ASN A 51 -15.418 -5.631 4.569 1.00 2.26 O ATOM 789 ND2 ASN A 51 -16.242 -4.942 2.673 1.00 0.56 N ATOM 0 H ASN A 51 -14.337 -1.059 5.166 1.00 0.53 H new ATOM 0 HA ASN A 51 -13.955 -3.988 5.650 1.00 0.68 H new ATOM 0 HB2 ASN A 51 -16.211 -2.903 4.921 1.00 0.98 H new ATOM 0 HB3 ASN A 51 -15.446 -2.605 3.372 1.00 0.98 H new ATOM 0 HD21 ASN A 51 -16.429 -5.903 2.385 1.00 0.56 H new ATOM 0 HD22 ASN A 51 -16.480 -4.168 2.052 1.00 0.56 H new ATOM 796 N VAL A 52 -11.805 -2.754 4.206 1.00 0.77 N ATOM 797 CA VAL A 52 -10.671 -2.818 3.236 1.00 0.64 C ATOM 798 C VAL A 52 -9.346 -3.018 3.985 1.00 0.56 C ATOM 799 O VAL A 52 -9.219 -2.630 5.129 1.00 0.68 O ATOM 800 CB VAL A 52 -10.623 -1.512 2.445 1.00 0.69 C ATOM 801 CG1 VAL A 52 -9.572 -1.632 1.347 1.00 0.59 C ATOM 802 CG2 VAL A 52 -11.991 -1.259 1.807 1.00 0.80 C ATOM 0 H VAL A 52 -11.600 -2.287 5.089 1.00 0.77 H new ATOM 0 HA VAL A 52 -10.819 -3.658 2.558 1.00 0.64 H new ATOM 0 HB VAL A 52 -10.370 -0.687 3.110 1.00 0.69 H new ATOM 0 HG11 VAL A 52 -9.532 -0.703 0.778 1.00 0.59 H new ATOM 0 HG12 VAL A 52 -8.597 -1.825 1.796 1.00 0.59 H new ATOM 0 HG13 VAL A 52 -9.834 -2.454 0.681 1.00 0.59 H new ATOM 0 HG21 VAL A 52 -11.962 -0.328 1.241 1.00 0.80 H new ATOM 0 HG22 VAL A 52 -12.238 -2.083 1.137 1.00 0.80 H new ATOM 0 HG23 VAL A 52 -12.748 -1.186 2.587 1.00 0.80 H new ATOM 812 N ILE A 53 -8.386 -3.621 3.319 1.00 0.37 N ATOM 813 CA ILE A 53 -7.065 -3.860 3.983 1.00 0.32 C ATOM 814 C ILE A 53 -6.028 -2.854 3.469 1.00 0.25 C ATOM 815 O ILE A 53 -5.998 -2.530 2.293 1.00 0.21 O ATOM 816 CB ILE A 53 -6.600 -5.292 3.672 1.00 0.26 C ATOM 817 CG1 ILE A 53 -7.744 -6.281 3.982 1.00 0.38 C ATOM 818 CG2 ILE A 53 -5.358 -5.639 4.517 1.00 0.36 C ATOM 819 CD1 ILE A 53 -8.255 -6.063 5.415 1.00 1.42 C ATOM 0 H ILE A 53 -8.459 -3.953 2.357 1.00 0.37 H new ATOM 0 HA ILE A 53 -7.171 -3.733 5.060 1.00 0.32 H new ATOM 0 HB ILE A 53 -6.336 -5.365 2.617 1.00 0.26 H new ATOM 0 HG12 ILE A 53 -8.559 -6.141 3.272 1.00 0.38 H new ATOM 0 HG13 ILE A 53 -7.391 -7.306 3.865 1.00 0.38 H new ATOM 0 HG21 ILE A 53 -5.036 -6.655 4.290 1.00 0.36 H new ATOM 0 HG22 ILE A 53 -4.553 -4.942 4.284 1.00 0.36 H new ATOM 0 HG23 ILE A 53 -5.606 -5.565 5.576 1.00 0.36 H new ATOM 0 HD11 ILE A 53 -9.062 -6.765 5.624 1.00 1.42 H new ATOM 0 HD12 ILE A 53 -7.440 -6.226 6.121 1.00 1.42 H new ATOM 0 HD13 ILE A 53 -8.626 -5.043 5.518 1.00 1.42 H new ATOM 831 N PHE A 54 -5.193 -2.391 4.368 1.00 0.30 N ATOM 832 CA PHE A 54 -4.156 -1.387 3.976 1.00 0.24 C ATOM 833 C PHE A 54 -2.772 -1.804 4.477 1.00 0.19 C ATOM 834 O PHE A 54 -2.565 -1.967 5.662 1.00 0.32 O ATOM 835 CB PHE A 54 -4.522 -0.046 4.601 1.00 0.32 C ATOM 836 CG PHE A 54 -5.877 0.407 4.063 1.00 0.39 C ATOM 837 CD1 PHE A 54 -5.963 1.107 2.872 1.00 0.40 C ATOM 838 CD2 PHE A 54 -7.037 0.124 4.762 1.00 0.47 C ATOM 839 CE1 PHE A 54 -7.189 1.516 2.389 1.00 0.47 C ATOM 840 CE2 PHE A 54 -8.262 0.534 4.276 1.00 0.53 C ATOM 841 CZ PHE A 54 -8.337 1.229 3.090 1.00 0.53 C ATOM 0 H PHE A 54 -5.185 -2.664 5.351 1.00 0.30 H new ATOM 0 HA PHE A 54 -4.125 -1.317 2.889 1.00 0.24 H new ATOM 0 HB2 PHE A 54 -4.560 -0.136 5.687 1.00 0.32 H new ATOM 0 HB3 PHE A 54 -3.759 0.697 4.369 1.00 0.32 H new ATOM 0 HD1 PHE A 54 -5.065 1.334 2.317 1.00 0.40 H new ATOM 0 HD2 PHE A 54 -6.984 -0.421 5.693 1.00 0.47 H new ATOM 0 HE1 PHE A 54 -7.247 2.062 1.459 1.00 0.47 H new ATOM 0 HE2 PHE A 54 -9.163 0.309 4.827 1.00 0.53 H new ATOM 0 HZ PHE A 54 -9.296 1.549 2.710 1.00 0.53 H new ATOM 851 N LEU A 55 -1.854 -1.973 3.559 1.00 0.29 N ATOM 852 CA LEU A 55 -0.468 -2.353 3.966 1.00 0.27 C ATOM 853 C LEU A 55 0.440 -1.122 3.894 1.00 0.20 C ATOM 854 O LEU A 55 0.050 -0.079 3.400 1.00 0.33 O ATOM 855 CB LEU A 55 0.089 -3.424 3.021 1.00 0.27 C ATOM 856 CG LEU A 55 -0.608 -4.768 3.262 1.00 0.61 C ATOM 857 CD1 LEU A 55 -2.103 -4.632 2.987 1.00 0.95 C ATOM 858 CD2 LEU A 55 -0.026 -5.806 2.299 1.00 0.59 C ATOM 0 H LEU A 55 -2.002 -1.866 2.556 1.00 0.29 H new ATOM 0 HA LEU A 55 -0.499 -2.744 4.983 1.00 0.27 H new ATOM 0 HB2 LEU A 55 -0.054 -3.114 1.986 1.00 0.27 H new ATOM 0 HB3 LEU A 55 1.163 -3.531 3.176 1.00 0.27 H new ATOM 0 HG LEU A 55 -0.453 -5.076 4.296 1.00 0.61 H new ATOM 0 HD11 LEU A 55 -2.593 -5.590 3.160 1.00 0.95 H new ATOM 0 HD12 LEU A 55 -2.529 -3.881 3.653 1.00 0.95 H new ATOM 0 HD13 LEU A 55 -2.256 -4.328 1.952 1.00 0.95 H new ATOM 0 HD21 LEU A 55 -0.514 -6.767 2.461 1.00 0.59 H new ATOM 0 HD22 LEU A 55 -0.193 -5.483 1.271 1.00 0.59 H new ATOM 0 HD23 LEU A 55 1.044 -5.908 2.478 1.00 0.59 H new ATOM 870 N GLU A 56 1.632 -1.282 4.365 1.00 0.31 N ATOM 871 CA GLU A 56 2.598 -0.143 4.350 1.00 0.21 C ATOM 872 C GLU A 56 4.022 -0.697 4.288 1.00 0.14 C ATOM 873 O GLU A 56 4.541 -1.183 5.274 1.00 0.10 O ATOM 874 CB GLU A 56 2.426 0.680 5.624 1.00 0.30 C ATOM 875 CG GLU A 56 3.494 1.776 5.665 1.00 0.56 C ATOM 876 CD GLU A 56 3.152 2.773 6.776 1.00 0.60 C ATOM 877 OE1 GLU A 56 2.201 2.488 7.484 1.00 1.59 O ATOM 878 OE2 GLU A 56 3.863 3.762 6.853 1.00 0.88 O ATOM 0 H GLU A 56 1.990 -2.150 4.763 1.00 0.31 H new ATOM 0 HA GLU A 56 2.413 0.489 3.482 1.00 0.21 H new ATOM 0 HB2 GLU A 56 1.431 1.124 5.652 1.00 0.30 H new ATOM 0 HB3 GLU A 56 2.513 0.038 6.500 1.00 0.30 H new ATOM 0 HG2 GLU A 56 4.476 1.337 5.844 1.00 0.56 H new ATOM 0 HG3 GLU A 56 3.544 2.288 4.704 1.00 0.56 H new ATOM 885 N VAL A 57 4.628 -0.610 3.137 1.00 0.17 N ATOM 886 CA VAL A 57 6.013 -1.156 3.002 1.00 0.11 C ATOM 887 C VAL A 57 7.057 -0.051 3.164 1.00 0.06 C ATOM 888 O VAL A 57 6.935 1.018 2.596 1.00 0.09 O ATOM 889 CB VAL A 57 6.169 -1.799 1.626 1.00 0.12 C ATOM 890 CG1 VAL A 57 7.658 -2.004 1.337 1.00 0.31 C ATOM 891 CG2 VAL A 57 5.463 -3.157 1.625 1.00 0.44 C ATOM 0 H VAL A 57 4.234 -0.192 2.294 1.00 0.17 H new ATOM 0 HA VAL A 57 6.170 -1.897 3.786 1.00 0.11 H new ATOM 0 HB VAL A 57 5.730 -1.156 0.863 1.00 0.12 H new ATOM 0 HG11 VAL A 57 7.778 -2.463 0.356 1.00 0.31 H new ATOM 0 HG12 VAL A 57 8.168 -1.041 1.352 1.00 0.31 H new ATOM 0 HG13 VAL A 57 8.090 -2.655 2.097 1.00 0.31 H new ATOM 0 HG21 VAL A 57 5.570 -3.622 0.645 1.00 0.44 H new ATOM 0 HG22 VAL A 57 5.910 -3.800 2.383 1.00 0.44 H new ATOM 0 HG23 VAL A 57 4.405 -3.017 1.846 1.00 0.44 H new ATOM 901 N ASP A 58 8.066 -0.339 3.939 1.00 0.07 N ATOM 902 CA ASP A 58 9.145 0.663 4.150 1.00 0.12 C ATOM 903 C ASP A 58 10.302 0.383 3.188 1.00 0.15 C ATOM 904 O ASP A 58 10.957 -0.637 3.282 1.00 0.14 O ATOM 905 CB ASP A 58 9.640 0.563 5.592 1.00 0.13 C ATOM 906 CG ASP A 58 10.605 1.716 5.879 1.00 0.16 C ATOM 907 OD1 ASP A 58 10.552 2.668 5.119 1.00 1.18 O ATOM 908 OD2 ASP A 58 11.340 1.578 6.843 1.00 1.23 O ATOM 0 H ASP A 58 8.189 -1.223 4.433 1.00 0.07 H new ATOM 0 HA ASP A 58 8.760 1.665 3.962 1.00 0.12 H new ATOM 0 HB2 ASP A 58 8.796 0.600 6.281 1.00 0.13 H new ATOM 0 HB3 ASP A 58 10.140 -0.392 5.751 1.00 0.13 H new ATOM 913 N VAL A 59 10.526 1.290 2.278 1.00 0.20 N ATOM 914 CA VAL A 59 11.632 1.083 1.298 1.00 0.25 C ATOM 915 C VAL A 59 12.993 1.306 1.969 1.00 0.34 C ATOM 916 O VAL A 59 13.907 1.824 1.357 1.00 0.63 O ATOM 917 CB VAL A 59 11.463 2.065 0.140 1.00 0.25 C ATOM 918 CG1 VAL A 59 10.110 1.820 -0.532 1.00 0.29 C ATOM 919 CG2 VAL A 59 11.503 3.497 0.679 1.00 0.25 C ATOM 0 H VAL A 59 9.999 2.156 2.170 1.00 0.20 H new ATOM 0 HA VAL A 59 11.593 0.059 0.927 1.00 0.25 H new ATOM 0 HB VAL A 59 12.267 1.922 -0.582 1.00 0.25 H new ATOM 0 HG11 VAL A 59 9.983 2.518 -1.360 1.00 0.29 H new ATOM 0 HG12 VAL A 59 10.071 0.798 -0.910 1.00 0.29 H new ATOM 0 HG13 VAL A 59 9.311 1.969 0.194 1.00 0.29 H new ATOM 0 HG21 VAL A 59 11.383 4.200 -0.146 1.00 0.25 H new ATOM 0 HG22 VAL A 59 10.695 3.638 1.397 1.00 0.25 H new ATOM 0 HG23 VAL A 59 12.460 3.674 1.170 1.00 0.25 H new ATOM 929 N ASP A 60 13.092 0.909 3.213 1.00 0.13 N ATOM 930 CA ASP A 60 14.383 1.083 3.952 1.00 0.18 C ATOM 931 C ASP A 60 14.840 -0.260 4.534 1.00 0.18 C ATOM 932 O ASP A 60 15.976 -0.657 4.362 1.00 0.23 O ATOM 933 CB ASP A 60 14.176 2.087 5.086 1.00 0.21 C ATOM 934 CG ASP A 60 15.515 2.742 5.432 1.00 0.47 C ATOM 935 OD1 ASP A 60 15.843 3.697 4.748 1.00 1.29 O ATOM 936 OD2 ASP A 60 16.134 2.250 6.362 1.00 0.46 O ATOM 0 H ASP A 60 12.340 0.474 3.748 1.00 0.13 H new ATOM 0 HA ASP A 60 15.147 1.449 3.266 1.00 0.18 H new ATOM 0 HB2 ASP A 60 13.453 2.846 4.788 1.00 0.21 H new ATOM 0 HB3 ASP A 60 13.767 1.584 5.962 1.00 0.21 H new ATOM 941 N ASP A 61 13.939 -0.928 5.208 1.00 0.14 N ATOM 942 CA ASP A 61 14.293 -2.251 5.813 1.00 0.16 C ATOM 943 C ASP A 61 13.642 -3.386 5.015 1.00 0.16 C ATOM 944 O ASP A 61 13.882 -4.548 5.279 1.00 0.22 O ATOM 945 CB ASP A 61 13.788 -2.289 7.254 1.00 0.21 C ATOM 946 CG ASP A 61 14.440 -3.463 7.988 1.00 0.76 C ATOM 947 OD1 ASP A 61 15.532 -3.249 8.489 1.00 2.28 O ATOM 948 OD2 ASP A 61 13.809 -4.507 8.008 1.00 0.51 O ATOM 0 H ASP A 61 12.980 -0.619 5.366 1.00 0.14 H new ATOM 0 HA ASP A 61 15.375 -2.380 5.793 1.00 0.16 H new ATOM 0 HB2 ASP A 61 14.025 -1.353 7.759 1.00 0.21 H new ATOM 0 HB3 ASP A 61 12.703 -2.393 7.269 1.00 0.21 H new ATOM 953 N CYS A 62 12.830 -3.017 4.056 1.00 0.15 N ATOM 954 CA CYS A 62 12.143 -4.050 3.215 1.00 0.14 C ATOM 955 C CYS A 62 12.451 -3.810 1.734 1.00 0.13 C ATOM 956 O CYS A 62 11.614 -4.023 0.880 1.00 0.10 O ATOM 957 CB CYS A 62 10.635 -3.955 3.446 1.00 0.15 C ATOM 958 SG CYS A 62 10.062 -3.820 5.157 1.00 0.33 S ATOM 0 H CYS A 62 12.612 -2.049 3.818 1.00 0.15 H new ATOM 0 HA CYS A 62 12.500 -5.042 3.493 1.00 0.14 H new ATOM 0 HB2 CYS A 62 10.264 -3.089 2.897 1.00 0.15 H new ATOM 0 HB3 CYS A 62 10.170 -4.836 3.004 1.00 0.15 H new ATOM 0 HG CYS A 62 8.764 -3.747 5.176 1.00 0.33 H new ATOM 964 N GLN A 63 13.650 -3.369 1.464 1.00 0.17 N ATOM 965 CA GLN A 63 14.034 -3.104 0.051 1.00 0.19 C ATOM 966 C GLN A 63 13.810 -4.353 -0.804 1.00 0.19 C ATOM 967 O GLN A 63 13.796 -4.283 -2.018 1.00 0.21 O ATOM 968 CB GLN A 63 15.509 -2.709 -0.003 1.00 0.20 C ATOM 969 CG GLN A 63 15.720 -1.437 0.822 1.00 0.91 C ATOM 970 CD GLN A 63 16.991 -1.585 1.662 1.00 1.29 C ATOM 971 OE1 GLN A 63 17.963 -0.884 1.466 1.00 1.82 O ATOM 972 NE2 GLN A 63 17.023 -2.486 2.605 1.00 2.18 N ATOM 0 H GLN A 63 14.375 -3.182 2.157 1.00 0.17 H new ATOM 0 HA GLN A 63 13.417 -2.295 -0.340 1.00 0.19 H new ATOM 0 HB2 GLN A 63 16.129 -3.517 0.387 1.00 0.20 H new ATOM 0 HB3 GLN A 63 15.816 -2.542 -1.036 1.00 0.20 H new ATOM 0 HG2 GLN A 63 15.804 -0.572 0.164 1.00 0.91 H new ATOM 0 HG3 GLN A 63 14.861 -1.263 1.469 1.00 0.91 H new ATOM 0 HE21 GLN A 63 16.209 -3.077 2.773 1.00 2.18 H new ATOM 0 HE22 GLN A 63 17.862 -2.599 3.174 1.00 2.18 H new ATOM 981 N ASP A 64 13.641 -5.469 -0.155 1.00 0.18 N ATOM 982 CA ASP A 64 13.422 -6.727 -0.914 1.00 0.18 C ATOM 983 C ASP A 64 12.054 -6.699 -1.584 1.00 0.19 C ATOM 984 O ASP A 64 11.931 -6.904 -2.775 1.00 0.34 O ATOM 985 CB ASP A 64 13.502 -7.916 0.044 1.00 0.17 C ATOM 986 CG ASP A 64 12.883 -7.529 1.387 1.00 0.32 C ATOM 987 OD1 ASP A 64 13.545 -6.785 2.093 1.00 1.17 O ATOM 988 OD2 ASP A 64 11.787 -8.000 1.633 1.00 0.41 O ATOM 0 H ASP A 64 13.645 -5.564 0.861 1.00 0.18 H new ATOM 0 HA ASP A 64 14.190 -6.823 -1.681 1.00 0.18 H new ATOM 0 HB2 ASP A 64 12.976 -8.773 -0.378 1.00 0.17 H new ATOM 0 HB3 ASP A 64 14.541 -8.216 0.183 1.00 0.17 H new ATOM 993 N VAL A 65 11.058 -6.443 -0.800 1.00 0.08 N ATOM 994 CA VAL A 65 9.683 -6.382 -1.353 1.00 0.08 C ATOM 995 C VAL A 65 9.586 -5.276 -2.399 1.00 0.07 C ATOM 996 O VAL A 65 8.956 -5.437 -3.424 1.00 0.07 O ATOM 997 CB VAL A 65 8.713 -6.107 -0.222 1.00 0.08 C ATOM 998 CG1 VAL A 65 7.288 -6.406 -0.690 1.00 0.09 C ATOM 999 CG2 VAL A 65 9.059 -7.011 0.964 1.00 0.10 C ATOM 0 H VAL A 65 11.133 -6.272 0.203 1.00 0.08 H new ATOM 0 HA VAL A 65 9.438 -7.332 -1.829 1.00 0.08 H new ATOM 0 HB VAL A 65 8.784 -5.062 0.078 1.00 0.08 H new ATOM 0 HG11 VAL A 65 6.589 -6.209 0.123 1.00 0.09 H new ATOM 0 HG12 VAL A 65 7.044 -5.770 -1.541 1.00 0.09 H new ATOM 0 HG13 VAL A 65 7.214 -7.453 -0.986 1.00 0.09 H new ATOM 0 HG21 VAL A 65 8.365 -6.819 1.782 1.00 0.10 H new ATOM 0 HG22 VAL A 65 8.982 -8.055 0.660 1.00 0.10 H new ATOM 0 HG23 VAL A 65 10.077 -6.804 1.295 1.00 0.10 H new ATOM 1009 N ALA A 66 10.212 -4.176 -2.114 1.00 0.08 N ATOM 1010 CA ALA A 66 10.184 -3.049 -3.081 1.00 0.07 C ATOM 1011 C ALA A 66 10.855 -3.477 -4.380 1.00 0.09 C ATOM 1012 O ALA A 66 10.338 -3.261 -5.458 1.00 0.08 O ATOM 1013 CB ALA A 66 10.927 -1.853 -2.487 1.00 0.07 C ATOM 0 H ALA A 66 10.740 -4.007 -1.258 1.00 0.08 H new ATOM 0 HA ALA A 66 9.151 -2.768 -3.285 1.00 0.07 H new ATOM 0 HB1 ALA A 66 10.908 -1.025 -3.195 1.00 0.07 H new ATOM 0 HB2 ALA A 66 10.443 -1.548 -1.559 1.00 0.07 H new ATOM 0 HB3 ALA A 66 11.961 -2.132 -2.283 1.00 0.07 H new ATOM 1019 N SER A 67 11.997 -4.077 -4.243 1.00 0.11 N ATOM 1020 CA SER A 67 12.727 -4.549 -5.448 1.00 0.12 C ATOM 1021 C SER A 67 11.900 -5.621 -6.152 1.00 0.14 C ATOM 1022 O SER A 67 12.172 -5.989 -7.277 1.00 0.14 O ATOM 1023 CB SER A 67 14.074 -5.134 -5.028 1.00 0.14 C ATOM 1024 OG SER A 67 14.799 -4.018 -4.530 1.00 1.45 O ATOM 0 H SER A 67 12.458 -4.262 -3.352 1.00 0.11 H new ATOM 0 HA SER A 67 12.892 -3.713 -6.128 1.00 0.12 H new ATOM 0 HB2 SER A 67 13.954 -5.903 -4.265 1.00 0.14 H new ATOM 0 HB3 SER A 67 14.587 -5.598 -5.871 1.00 0.14 H new ATOM 0 HG SER A 67 14.595 -3.893 -3.580 1.00 1.45 H new ATOM 1030 N GLU A 68 10.903 -6.098 -5.463 1.00 0.14 N ATOM 1031 CA GLU A 68 10.033 -7.141 -6.054 1.00 0.15 C ATOM 1032 C GLU A 68 9.079 -6.495 -7.048 1.00 0.15 C ATOM 1033 O GLU A 68 8.719 -7.078 -8.052 1.00 0.16 O ATOM 1034 CB GLU A 68 9.238 -7.819 -4.939 1.00 0.16 C ATOM 1035 CG GLU A 68 8.901 -9.251 -5.353 1.00 0.30 C ATOM 1036 CD GLU A 68 7.577 -9.666 -4.708 1.00 1.16 C ATOM 1037 OE1 GLU A 68 7.592 -9.824 -3.498 1.00 2.02 O ATOM 1038 OE2 GLU A 68 6.626 -9.800 -5.460 1.00 1.55 O ATOM 0 H GLU A 68 10.656 -5.809 -4.517 1.00 0.14 H new ATOM 0 HA GLU A 68 10.641 -7.884 -6.570 1.00 0.15 H new ATOM 0 HB2 GLU A 68 9.817 -7.823 -4.015 1.00 0.16 H new ATOM 0 HB3 GLU A 68 8.323 -7.262 -4.739 1.00 0.16 H new ATOM 0 HG2 GLU A 68 8.827 -9.320 -6.438 1.00 0.30 H new ATOM 0 HG3 GLU A 68 9.697 -9.928 -5.044 1.00 0.30 H new ATOM 1045 N CYS A 69 8.693 -5.298 -6.737 1.00 0.15 N ATOM 1046 CA CYS A 69 7.772 -4.559 -7.641 1.00 0.18 C ATOM 1047 C CYS A 69 8.592 -3.660 -8.568 1.00 0.23 C ATOM 1048 O CYS A 69 8.056 -2.962 -9.406 1.00 0.25 O ATOM 1049 CB CYS A 69 6.825 -3.706 -6.799 1.00 0.12 C ATOM 1050 SG CYS A 69 5.539 -4.574 -5.866 1.00 0.17 S ATOM 0 H CYS A 69 8.974 -4.795 -5.895 1.00 0.15 H new ATOM 0 HA CYS A 69 7.192 -5.262 -8.240 1.00 0.18 H new ATOM 0 HB2 CYS A 69 7.425 -3.131 -6.093 1.00 0.12 H new ATOM 0 HB3 CYS A 69 6.337 -2.990 -7.460 1.00 0.12 H new ATOM 0 HG CYS A 69 4.383 -4.035 -6.116 1.00 0.17 H new ATOM 1056 N GLU A 70 9.885 -3.702 -8.390 1.00 0.26 N ATOM 1057 CA GLU A 70 10.783 -2.870 -9.240 1.00 0.34 C ATOM 1058 C GLU A 70 10.356 -1.400 -9.202 1.00 0.24 C ATOM 1059 O GLU A 70 10.225 -0.766 -10.230 1.00 0.23 O ATOM 1060 CB GLU A 70 10.726 -3.379 -10.679 1.00 0.45 C ATOM 1061 CG GLU A 70 11.229 -4.823 -10.723 1.00 1.15 C ATOM 1062 CD GLU A 70 10.093 -5.739 -11.184 1.00 2.21 C ATOM 1063 OE1 GLU A 70 9.796 -5.681 -12.366 1.00 1.85 O ATOM 1064 OE2 GLU A 70 9.585 -6.445 -10.327 1.00 3.80 O ATOM 0 H GLU A 70 10.358 -4.277 -7.692 1.00 0.26 H new ATOM 0 HA GLU A 70 11.800 -2.946 -8.856 1.00 0.34 H new ATOM 0 HB2 GLU A 70 9.705 -3.326 -11.056 1.00 0.45 H new ATOM 0 HB3 GLU A 70 11.337 -2.749 -11.325 1.00 0.45 H new ATOM 0 HG2 GLU A 70 12.077 -4.905 -11.403 1.00 1.15 H new ATOM 0 HG3 GLU A 70 11.581 -5.128 -9.737 1.00 1.15 H new ATOM 1071 N VAL A 71 10.147 -0.885 -8.019 1.00 0.20 N ATOM 1072 CA VAL A 71 9.740 0.550 -7.919 1.00 0.13 C ATOM 1073 C VAL A 71 10.844 1.443 -8.503 1.00 0.39 C ATOM 1074 O VAL A 71 11.941 0.984 -8.757 1.00 0.82 O ATOM 1075 CB VAL A 71 9.513 0.917 -6.451 1.00 0.48 C ATOM 1076 CG1 VAL A 71 8.304 1.847 -6.346 1.00 0.52 C ATOM 1077 CG2 VAL A 71 9.236 -0.355 -5.648 1.00 0.87 C ATOM 0 H VAL A 71 10.238 -1.383 -7.133 1.00 0.20 H new ATOM 0 HA VAL A 71 8.817 0.701 -8.479 1.00 0.13 H new ATOM 0 HB VAL A 71 10.399 1.415 -6.058 1.00 0.48 H new ATOM 0 HG11 VAL A 71 8.138 2.111 -5.302 1.00 0.52 H new ATOM 0 HG12 VAL A 71 8.490 2.752 -6.924 1.00 0.52 H new ATOM 0 HG13 VAL A 71 7.421 1.341 -6.737 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.074 -0.097 -4.602 1.00 0.87 H new ATOM 0 HG22 VAL A 71 8.347 -0.848 -6.042 1.00 0.87 H new ATOM 0 HG23 VAL A 71 10.089 -1.028 -5.727 1.00 0.87 H new ATOM 1087 N LYS A 72 10.528 2.697 -8.704 1.00 0.39 N ATOM 1088 CA LYS A 72 11.551 3.632 -9.274 1.00 0.77 C ATOM 1089 C LYS A 72 11.497 4.990 -8.562 1.00 0.42 C ATOM 1090 O LYS A 72 12.305 5.860 -8.823 1.00 0.31 O ATOM 1091 CB LYS A 72 11.267 3.834 -10.766 1.00 1.33 C ATOM 1092 CG LYS A 72 12.423 3.262 -11.597 1.00 1.73 C ATOM 1093 CD LYS A 72 13.654 4.158 -11.432 1.00 1.18 C ATOM 1094 CE LYS A 72 13.823 5.017 -12.689 1.00 2.71 C ATOM 1095 NZ LYS A 72 12.621 5.872 -12.906 1.00 4.00 N ATOM 0 H LYS A 72 9.619 3.112 -8.502 1.00 0.39 H new ATOM 0 HA LYS A 72 12.542 3.201 -9.132 1.00 0.77 H new ATOM 0 HB2 LYS A 72 10.333 3.342 -11.038 1.00 1.33 H new ATOM 0 HB3 LYS A 72 11.142 4.895 -10.981 1.00 1.33 H new ATOM 0 HG2 LYS A 72 12.652 2.247 -11.273 1.00 1.73 H new ATOM 0 HG3 LYS A 72 12.138 3.205 -12.648 1.00 1.73 H new ATOM 0 HD2 LYS A 72 13.540 4.795 -10.554 1.00 1.18 H new ATOM 0 HD3 LYS A 72 14.543 3.549 -11.271 1.00 1.18 H new ATOM 0 HE2 LYS A 72 14.709 5.644 -12.591 1.00 2.71 H new ATOM 0 HE3 LYS A 72 13.981 4.375 -13.556 1.00 2.71 H new ATOM 0 HZ1 LYS A 72 12.835 6.597 -13.620 1.00 4.00 H new ATOM 0 HZ2 LYS A 72 11.831 5.282 -13.237 1.00 4.00 H new ATOM 0 HZ3 LYS A 72 12.358 6.334 -12.012 1.00 4.00 H new ATOM 1109 N CYS A 73 10.549 5.146 -7.678 1.00 0.30 N ATOM 1110 CA CYS A 73 10.440 6.447 -6.954 1.00 0.22 C ATOM 1111 C CYS A 73 9.260 6.422 -5.983 1.00 0.24 C ATOM 1112 O CYS A 73 8.171 6.006 -6.329 1.00 0.49 O ATOM 1113 CB CYS A 73 10.244 7.571 -7.970 1.00 0.62 C ATOM 1114 SG CYS A 73 9.270 7.197 -9.448 1.00 0.95 S ATOM 0 H CYS A 73 9.855 4.442 -7.428 1.00 0.30 H new ATOM 0 HA CYS A 73 11.354 6.615 -6.385 1.00 0.22 H new ATOM 0 HB2 CYS A 73 9.771 8.409 -7.458 1.00 0.62 H new ATOM 0 HB3 CYS A 73 11.229 7.909 -8.292 1.00 0.62 H new ATOM 0 HG CYS A 73 9.200 8.255 -10.200 1.00 0.95 H new ATOM 1120 N THR A 74 9.504 6.872 -4.786 1.00 0.19 N ATOM 1121 CA THR A 74 8.415 6.894 -3.770 1.00 0.13 C ATOM 1122 C THR A 74 7.727 8.279 -3.797 1.00 0.13 C ATOM 1123 O THR A 74 8.338 9.257 -4.180 1.00 0.16 O ATOM 1124 CB THR A 74 9.046 6.651 -2.388 1.00 0.16 C ATOM 1125 OG1 THR A 74 10.195 7.493 -2.367 1.00 0.25 O ATOM 1126 CG2 THR A 74 9.595 5.229 -2.256 1.00 0.29 C ATOM 0 H THR A 74 10.406 7.225 -4.467 1.00 0.19 H new ATOM 0 HA THR A 74 7.673 6.124 -3.982 1.00 0.13 H new ATOM 0 HB THR A 74 8.306 6.828 -1.607 1.00 0.16 H new ATOM 0 HG1 THR A 74 10.656 7.396 -1.508 1.00 0.25 H new ATOM 0 HG21 THR A 74 10.032 5.098 -1.266 1.00 0.29 H new ATOM 0 HG22 THR A 74 8.785 4.512 -2.393 1.00 0.29 H new ATOM 0 HG23 THR A 74 10.359 5.062 -3.015 1.00 0.29 H new ATOM 1134 N PRO A 75 6.463 8.345 -3.391 1.00 0.18 N ATOM 1135 CA PRO A 75 5.665 7.186 -2.930 1.00 0.15 C ATOM 1136 C PRO A 75 5.129 6.377 -4.125 1.00 0.17 C ATOM 1137 O PRO A 75 5.002 6.896 -5.220 1.00 0.34 O ATOM 1138 CB PRO A 75 4.488 7.809 -2.173 1.00 0.23 C ATOM 1139 CG PRO A 75 4.489 9.336 -2.497 1.00 0.33 C ATOM 1140 CD PRO A 75 5.758 9.626 -3.322 1.00 0.30 C ATOM 0 HA PRO A 75 6.258 6.504 -2.321 1.00 0.15 H new ATOM 0 HB2 PRO A 75 3.548 7.351 -2.479 1.00 0.23 H new ATOM 0 HB3 PRO A 75 4.589 7.643 -1.100 1.00 0.23 H new ATOM 0 HG2 PRO A 75 3.595 9.611 -3.057 1.00 0.33 H new ATOM 0 HG3 PRO A 75 4.484 9.924 -1.579 1.00 0.33 H new ATOM 0 HD2 PRO A 75 5.507 9.993 -4.317 1.00 0.30 H new ATOM 0 HD3 PRO A 75 6.373 10.390 -2.846 1.00 0.30 H new ATOM 1148 N THR A 76 4.823 5.125 -3.884 1.00 0.03 N ATOM 1149 CA THR A 76 4.278 4.272 -4.982 1.00 0.11 C ATOM 1150 C THR A 76 3.112 3.432 -4.444 1.00 0.10 C ATOM 1151 O THR A 76 3.277 2.644 -3.537 1.00 0.11 O ATOM 1152 CB THR A 76 5.388 3.359 -5.520 1.00 0.16 C ATOM 1153 OG1 THR A 76 6.201 4.214 -6.318 1.00 0.16 O ATOM 1154 CG2 THR A 76 4.835 2.315 -6.488 1.00 0.22 C ATOM 0 H THR A 76 4.927 4.661 -2.981 1.00 0.03 H new ATOM 0 HA THR A 76 3.915 4.903 -5.794 1.00 0.11 H new ATOM 0 HB THR A 76 5.892 2.858 -4.694 1.00 0.16 H new ATOM 0 HG1 THR A 76 6.816 4.713 -5.741 1.00 0.16 H new ATOM 0 HG21 THR A 76 5.649 1.686 -6.849 1.00 0.22 H new ATOM 0 HG22 THR A 76 4.099 1.696 -5.974 1.00 0.22 H new ATOM 0 HG23 THR A 76 4.362 2.816 -7.332 1.00 0.22 H new ATOM 1162 N PHE A 77 1.955 3.625 -5.013 1.00 0.10 N ATOM 1163 CA PHE A 77 0.763 2.860 -4.535 1.00 0.10 C ATOM 1164 C PHE A 77 0.499 1.644 -5.425 1.00 0.10 C ATOM 1165 O PHE A 77 0.604 1.726 -6.634 1.00 0.15 O ATOM 1166 CB PHE A 77 -0.456 3.774 -4.580 1.00 0.09 C ATOM 1167 CG PHE A 77 -0.399 4.749 -3.412 1.00 0.08 C ATOM 1168 CD1 PHE A 77 -0.687 4.315 -2.134 1.00 0.05 C ATOM 1169 CD2 PHE A 77 -0.062 6.076 -3.616 1.00 0.17 C ATOM 1170 CE1 PHE A 77 -0.640 5.196 -1.072 1.00 0.04 C ATOM 1171 CE2 PHE A 77 -0.015 6.954 -2.553 1.00 0.16 C ATOM 1172 CZ PHE A 77 -0.305 6.514 -1.283 1.00 0.06 C ATOM 0 H PHE A 77 1.781 4.273 -5.782 1.00 0.10 H new ATOM 0 HA PHE A 77 0.954 2.515 -3.519 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.481 4.320 -5.523 1.00 0.09 H new ATOM 0 HB3 PHE A 77 -1.370 3.182 -4.530 1.00 0.09 H new ATOM 0 HD1 PHE A 77 -0.950 3.282 -1.964 1.00 0.05 H new ATOM 0 HD2 PHE A 77 0.165 6.426 -4.612 1.00 0.17 H new ATOM 0 HE1 PHE A 77 -0.866 4.850 -0.074 1.00 0.04 H new ATOM 0 HE2 PHE A 77 0.250 7.988 -2.718 1.00 0.16 H new ATOM 0 HZ PHE A 77 -0.270 7.202 -0.452 1.00 0.06 H new ATOM 1182 N GLN A 78 0.164 0.540 -4.804 1.00 0.09 N ATOM 1183 CA GLN A 78 -0.136 -0.698 -5.602 1.00 0.11 C ATOM 1184 C GLN A 78 -1.459 -1.332 -5.143 1.00 0.13 C ATOM 1185 O GLN A 78 -1.844 -1.211 -3.998 1.00 0.13 O ATOM 1186 CB GLN A 78 0.995 -1.700 -5.425 1.00 0.08 C ATOM 1187 CG GLN A 78 2.294 -1.085 -5.952 1.00 0.59 C ATOM 1188 CD GLN A 78 3.401 -2.140 -5.929 1.00 0.83 C ATOM 1189 OE1 GLN A 78 3.142 -3.326 -5.931 1.00 1.46 O ATOM 1190 NE2 GLN A 78 4.646 -1.749 -5.909 1.00 0.90 N ATOM 0 H GLN A 78 0.085 0.438 -3.792 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.227 -0.423 -6.653 1.00 0.11 H new ATOM 0 HB2 GLN A 78 1.103 -1.963 -4.373 1.00 0.08 H new ATOM 0 HB3 GLN A 78 0.769 -2.621 -5.963 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.149 -0.716 -6.967 1.00 0.59 H new ATOM 0 HG3 GLN A 78 2.579 -0.229 -5.340 1.00 0.59 H new ATOM 0 HE21 GLN A 78 4.868 -0.753 -5.907 1.00 0.90 H new ATOM 0 HE22 GLN A 78 5.397 -2.439 -5.895 1.00 0.90 H new ATOM 1199 N PHE A 79 -2.118 -1.998 -6.063 1.00 0.15 N ATOM 1200 CA PHE A 79 -3.427 -2.651 -5.729 1.00 0.17 C ATOM 1201 C PHE A 79 -3.320 -4.171 -5.921 1.00 0.14 C ATOM 1202 O PHE A 79 -2.886 -4.632 -6.960 1.00 0.11 O ATOM 1203 CB PHE A 79 -4.511 -2.103 -6.669 1.00 0.23 C ATOM 1204 CG PHE A 79 -4.842 -0.648 -6.302 1.00 0.24 C ATOM 1205 CD1 PHE A 79 -3.885 0.350 -6.427 1.00 0.18 C ATOM 1206 CD2 PHE A 79 -6.106 -0.311 -5.842 1.00 0.32 C ATOM 1207 CE1 PHE A 79 -4.191 1.656 -6.094 1.00 0.20 C ATOM 1208 CE2 PHE A 79 -6.404 0.995 -5.511 1.00 0.34 C ATOM 1209 CZ PHE A 79 -5.449 1.976 -5.637 1.00 0.29 C ATOM 0 H PHE A 79 -1.808 -2.118 -7.027 1.00 0.15 H new ATOM 0 HA PHE A 79 -3.683 -2.437 -4.691 1.00 0.17 H new ATOM 0 HB2 PHE A 79 -4.168 -2.157 -7.702 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.409 -2.717 -6.599 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -2.897 0.105 -6.786 1.00 0.18 H new ATOM 0 HD2 PHE A 79 -6.862 -1.076 -5.742 1.00 0.32 H new ATOM 0 HE1 PHE A 79 -3.441 2.427 -6.193 1.00 0.20 H new ATOM 0 HE2 PHE A 79 -7.391 1.247 -5.152 1.00 0.34 H new ATOM 0 HZ PHE A 79 -5.686 2.997 -5.377 1.00 0.29 H new ATOM 1219 N PHE A 80 -3.715 -4.917 -4.912 1.00 0.19 N ATOM 1220 CA PHE A 80 -3.648 -6.412 -5.023 1.00 0.19 C ATOM 1221 C PHE A 80 -5.018 -7.027 -4.716 1.00 0.20 C ATOM 1222 O PHE A 80 -5.564 -6.828 -3.649 1.00 0.43 O ATOM 1223 CB PHE A 80 -2.620 -6.943 -4.026 1.00 0.20 C ATOM 1224 CG PHE A 80 -1.214 -6.567 -4.493 1.00 0.19 C ATOM 1225 CD1 PHE A 80 -0.559 -7.329 -5.444 1.00 0.18 C ATOM 1226 CD2 PHE A 80 -0.579 -5.458 -3.967 1.00 0.22 C ATOM 1227 CE1 PHE A 80 0.712 -6.984 -5.860 1.00 0.17 C ATOM 1228 CE2 PHE A 80 0.690 -5.116 -4.384 1.00 0.22 C ATOM 1229 CZ PHE A 80 1.335 -5.879 -5.329 1.00 0.19 C ATOM 0 H PHE A 80 -4.076 -4.560 -4.027 1.00 0.19 H new ATOM 0 HA PHE A 80 -3.357 -6.683 -6.038 1.00 0.19 H new ATOM 0 HB2 PHE A 80 -2.809 -6.527 -3.036 1.00 0.20 H new ATOM 0 HB3 PHE A 80 -2.708 -8.026 -3.939 1.00 0.20 H new ATOM 0 HD1 PHE A 80 -1.044 -8.198 -5.863 1.00 0.18 H new ATOM 0 HD2 PHE A 80 -1.080 -4.855 -3.224 1.00 0.22 H new ATOM 0 HE1 PHE A 80 1.217 -7.583 -6.603 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.178 -4.247 -3.968 1.00 0.22 H new ATOM 0 HZ PHE A 80 2.329 -5.611 -5.654 1.00 0.19 H new ATOM 1239 N LYS A 81 -5.540 -7.755 -5.671 1.00 0.53 N ATOM 1240 CA LYS A 81 -6.872 -8.409 -5.473 1.00 0.58 C ATOM 1241 C LYS A 81 -6.720 -9.929 -5.560 1.00 0.63 C ATOM 1242 O LYS A 81 -5.999 -10.435 -6.395 1.00 0.52 O ATOM 1243 CB LYS A 81 -7.832 -7.929 -6.561 1.00 0.61 C ATOM 1244 CG LYS A 81 -9.178 -8.638 -6.391 1.00 0.61 C ATOM 1245 CD LYS A 81 -10.302 -7.689 -6.812 1.00 0.71 C ATOM 1246 CE LYS A 81 -11.642 -8.425 -6.721 1.00 0.91 C ATOM 1247 NZ LYS A 81 -11.932 -9.139 -7.996 1.00 1.68 N ATOM 0 H LYS A 81 -5.104 -7.925 -6.577 1.00 0.53 H new ATOM 0 HA LYS A 81 -7.265 -8.145 -4.491 1.00 0.58 H new ATOM 0 HB2 LYS A 81 -7.965 -6.849 -6.495 1.00 0.61 H new ATOM 0 HB3 LYS A 81 -7.418 -8.140 -7.547 1.00 0.61 H new ATOM 0 HG2 LYS A 81 -9.205 -9.544 -6.996 1.00 0.61 H new ATOM 0 HG3 LYS A 81 -9.313 -8.944 -5.354 1.00 0.61 H new ATOM 0 HD2 LYS A 81 -10.312 -6.809 -6.168 1.00 0.71 H new ATOM 0 HD3 LYS A 81 -10.135 -7.337 -7.830 1.00 0.71 H new ATOM 0 HE2 LYS A 81 -11.617 -9.137 -5.896 1.00 0.91 H new ATOM 0 HE3 LYS A 81 -12.440 -7.715 -6.505 1.00 0.91 H new ATOM 0 HZ1 LYS A 81 -12.844 -9.633 -7.918 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.976 -8.453 -8.776 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -11.179 -9.831 -8.186 1.00 1.68 H new ATOM 1261 N LYS A 82 -7.405 -10.627 -4.697 1.00 0.86 N ATOM 1262 CA LYS A 82 -7.304 -12.116 -4.717 1.00 0.95 C ATOM 1263 C LYS A 82 -5.833 -12.546 -4.652 1.00 0.83 C ATOM 1264 O LYS A 82 -5.509 -13.692 -4.891 1.00 0.90 O ATOM 1265 CB LYS A 82 -7.937 -12.650 -6.000 1.00 0.99 C ATOM 1266 CG LYS A 82 -9.442 -12.805 -5.785 1.00 1.66 C ATOM 1267 CD LYS A 82 -10.100 -13.152 -7.118 1.00 2.16 C ATOM 1268 CE LYS A 82 -11.571 -13.497 -6.880 1.00 2.45 C ATOM 1269 NZ LYS A 82 -11.826 -14.931 -7.195 1.00 2.23 N ATOM 0 H LYS A 82 -8.024 -10.238 -3.986 1.00 0.86 H new ATOM 0 HA LYS A 82 -7.830 -12.521 -3.852 1.00 0.95 H new ATOM 0 HB2 LYS A 82 -7.743 -11.968 -6.828 1.00 0.99 H new ATOM 0 HB3 LYS A 82 -7.494 -13.609 -6.267 1.00 0.99 H new ATOM 0 HG2 LYS A 82 -9.639 -13.588 -5.052 1.00 1.66 H new ATOM 0 HG3 LYS A 82 -9.863 -11.882 -5.386 1.00 1.66 H new ATOM 0 HD2 LYS A 82 -10.018 -12.311 -7.807 1.00 2.16 H new ATOM 0 HD3 LYS A 82 -9.587 -13.995 -7.582 1.00 2.16 H new ATOM 0 HE2 LYS A 82 -11.836 -13.293 -5.842 1.00 2.45 H new ATOM 0 HE3 LYS A 82 -12.205 -12.864 -7.501 1.00 2.45 H new ATOM 0 HZ1 LYS A 82 -12.829 -15.150 -7.029 1.00 2.23 H new ATOM 0 HZ2 LYS A 82 -11.592 -15.114 -8.192 1.00 2.23 H new ATOM 0 HZ3 LYS A 82 -11.235 -15.531 -6.585 1.00 2.23 H new ATOM 1283 N GLY A 83 -4.976 -11.611 -4.333 1.00 0.71 N ATOM 1284 CA GLY A 83 -3.524 -11.942 -4.241 1.00 0.70 C ATOM 1285 C GLY A 83 -2.784 -11.520 -5.514 1.00 0.53 C ATOM 1286 O GLY A 83 -1.576 -11.382 -5.513 1.00 0.98 O ATOM 0 H GLY A 83 -5.217 -10.640 -4.134 1.00 0.71 H new ATOM 0 HA2 GLY A 83 -3.087 -11.440 -3.378 1.00 0.70 H new ATOM 0 HA3 GLY A 83 -3.401 -13.013 -4.082 1.00 0.70 H new ATOM 1290 N GLN A 84 -3.522 -11.321 -6.574 1.00 0.55 N ATOM 1291 CA GLN A 84 -2.869 -10.912 -7.856 1.00 0.30 C ATOM 1292 C GLN A 84 -2.943 -9.393 -8.038 1.00 0.30 C ATOM 1293 O GLN A 84 -3.865 -8.753 -7.576 1.00 0.32 O ATOM 1294 CB GLN A 84 -3.579 -11.601 -9.023 1.00 0.25 C ATOM 1295 CG GLN A 84 -4.006 -13.007 -8.595 1.00 1.18 C ATOM 1296 CD GLN A 84 -4.552 -13.762 -9.810 1.00 1.06 C ATOM 1297 OE1 GLN A 84 -5.728 -14.051 -9.898 1.00 1.80 O ATOM 1298 NE2 GLN A 84 -3.731 -14.099 -10.766 1.00 1.23 N ATOM 0 H GLN A 84 -4.536 -11.422 -6.610 1.00 0.55 H new ATOM 0 HA GLN A 84 -1.820 -11.208 -7.829 1.00 0.30 H new ATOM 0 HB2 GLN A 84 -4.450 -11.021 -9.328 1.00 0.25 H new ATOM 0 HB3 GLN A 84 -2.915 -11.657 -9.886 1.00 0.25 H new ATOM 0 HG2 GLN A 84 -3.158 -13.544 -8.170 1.00 1.18 H new ATOM 0 HG3 GLN A 84 -4.767 -12.947 -7.817 1.00 1.18 H new ATOM 0 HE21 GLN A 84 -2.742 -13.859 -10.697 1.00 1.23 H new ATOM 0 HE22 GLN A 84 -4.078 -14.603 -11.582 1.00 1.23 H new ATOM 1307 N LYS A 85 -1.963 -8.853 -8.711 1.00 0.32 N ATOM 1308 CA LYS A 85 -1.952 -7.383 -8.940 1.00 0.32 C ATOM 1309 C LYS A 85 -2.990 -7.009 -10.003 1.00 0.31 C ATOM 1310 O LYS A 85 -3.203 -7.745 -10.948 1.00 0.43 O ATOM 1311 CB LYS A 85 -0.554 -6.974 -9.413 1.00 0.31 C ATOM 1312 CG LYS A 85 -0.441 -5.448 -9.425 1.00 0.33 C ATOM 1313 CD LYS A 85 1.040 -5.059 -9.459 1.00 0.32 C ATOM 1314 CE LYS A 85 1.682 -5.611 -10.736 1.00 0.36 C ATOM 1315 NZ LYS A 85 2.205 -6.986 -10.506 1.00 1.92 N ATOM 0 H LYS A 85 -1.175 -9.364 -9.109 1.00 0.32 H new ATOM 0 HA LYS A 85 -2.200 -6.863 -8.015 1.00 0.32 H new ATOM 0 HB2 LYS A 85 0.203 -7.399 -8.754 1.00 0.31 H new ATOM 0 HB3 LYS A 85 -0.367 -7.370 -10.411 1.00 0.31 H new ATOM 0 HG2 LYS A 85 -0.958 -5.039 -10.293 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -0.921 -5.028 -8.541 1.00 0.33 H new ATOM 0 HD2 LYS A 85 1.143 -3.974 -9.426 1.00 0.32 H new ATOM 0 HD3 LYS A 85 1.551 -5.454 -8.581 1.00 0.32 H new ATOM 0 HE2 LYS A 85 0.948 -5.625 -11.542 1.00 0.36 H new ATOM 0 HE3 LYS A 85 2.493 -4.956 -11.055 1.00 0.36 H new ATOM 0 HZ1 LYS A 85 3.188 -7.044 -10.841 1.00 1.92 H new ATOM 0 HZ2 LYS A 85 2.172 -7.205 -9.490 1.00 1.92 H new ATOM 0 HZ3 LYS A 85 1.621 -7.671 -11.027 1.00 1.92 H new ATOM 1329 N VAL A 86 -3.616 -5.871 -9.825 1.00 0.17 N ATOM 1330 CA VAL A 86 -4.649 -5.433 -10.816 1.00 0.15 C ATOM 1331 C VAL A 86 -4.482 -3.944 -11.151 1.00 0.11 C ATOM 1332 O VAL A 86 -4.803 -3.516 -12.242 1.00 0.06 O ATOM 1333 CB VAL A 86 -6.040 -5.668 -10.226 1.00 0.16 C ATOM 1334 CG1 VAL A 86 -6.462 -7.116 -10.490 1.00 0.29 C ATOM 1335 CG2 VAL A 86 -5.996 -5.424 -8.716 1.00 0.16 C ATOM 0 H VAL A 86 -3.459 -5.232 -9.045 1.00 0.17 H new ATOM 0 HA VAL A 86 -4.527 -6.011 -11.732 1.00 0.15 H new ATOM 0 HB VAL A 86 -6.754 -4.986 -10.688 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -7.453 -7.288 -10.071 1.00 0.29 H new ATOM 0 HG12 VAL A 86 -6.486 -7.298 -11.564 1.00 0.29 H new ATOM 0 HG13 VAL A 86 -5.748 -7.794 -10.023 1.00 0.29 H new ATOM 0 HG21 VAL A 86 -6.986 -5.591 -8.292 1.00 0.16 H new ATOM 0 HG22 VAL A 86 -5.284 -6.110 -8.257 1.00 0.16 H new ATOM 0 HG23 VAL A 86 -5.686 -4.397 -8.522 1.00 0.16 H new ATOM 1345 N GLY A 87 -3.985 -3.185 -10.210 1.00 0.20 N ATOM 1346 CA GLY A 87 -3.799 -1.725 -10.471 1.00 0.17 C ATOM 1347 C GLY A 87 -2.548 -1.202 -9.767 1.00 0.20 C ATOM 1348 O GLY A 87 -2.116 -1.750 -8.773 1.00 0.24 O ATOM 0 H GLY A 87 -3.703 -3.506 -9.284 1.00 0.20 H new ATOM 0 HA2 GLY A 87 -3.718 -1.550 -11.544 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.674 -1.175 -10.124 1.00 0.17 H new ATOM 1352 N GLU A 88 -1.983 -0.149 -10.301 1.00 0.19 N ATOM 1353 CA GLU A 88 -0.763 0.420 -9.661 1.00 0.24 C ATOM 1354 C GLU A 88 -0.425 1.792 -10.256 1.00 0.19 C ATOM 1355 O GLU A 88 -0.248 1.933 -11.450 1.00 0.18 O ATOM 1356 CB GLU A 88 0.410 -0.533 -9.882 1.00 0.31 C ATOM 1357 CG GLU A 88 0.289 -1.166 -11.271 1.00 1.35 C ATOM 1358 CD GLU A 88 1.678 -1.586 -11.759 1.00 0.99 C ATOM 1359 OE1 GLU A 88 2.442 -2.015 -10.910 1.00 1.11 O ATOM 1360 OE2 GLU A 88 1.894 -1.454 -12.952 1.00 1.85 O ATOM 0 H GLU A 88 -2.308 0.333 -11.139 1.00 0.19 H new ATOM 0 HA GLU A 88 -0.951 0.543 -8.594 1.00 0.24 H new ATOM 0 HB2 GLU A 88 1.353 0.006 -9.796 1.00 0.31 H new ATOM 0 HB3 GLU A 88 0.414 -1.308 -9.115 1.00 0.31 H new ATOM 0 HG2 GLU A 88 -0.372 -2.032 -11.232 1.00 1.35 H new ATOM 0 HG3 GLU A 88 -0.155 -0.456 -11.969 1.00 1.35 H new ATOM 1367 N PHE A 89 -0.342 2.771 -9.398 1.00 0.18 N ATOM 1368 CA PHE A 89 -0.005 4.141 -9.864 1.00 0.14 C ATOM 1369 C PHE A 89 0.861 4.850 -8.815 1.00 0.10 C ATOM 1370 O PHE A 89 0.590 4.770 -7.631 1.00 0.11 O ATOM 1371 CB PHE A 89 -1.303 4.903 -10.080 1.00 0.15 C ATOM 1372 CG PHE A 89 -1.742 5.577 -8.778 1.00 0.16 C ATOM 1373 CD1 PHE A 89 -1.212 6.800 -8.400 1.00 0.15 C ATOM 1374 CD2 PHE A 89 -2.680 4.969 -7.961 1.00 0.21 C ATOM 1375 CE1 PHE A 89 -1.616 7.402 -7.225 1.00 0.20 C ATOM 1376 CE2 PHE A 89 -3.082 5.573 -6.787 1.00 0.25 C ATOM 1377 CZ PHE A 89 -2.551 6.789 -6.420 1.00 0.25 C ATOM 0 H PHE A 89 -0.494 2.679 -8.394 1.00 0.18 H new ATOM 0 HA PHE A 89 0.557 4.096 -10.797 1.00 0.14 H new ATOM 0 HB2 PHE A 89 -1.168 5.653 -10.859 1.00 0.15 H new ATOM 0 HB3 PHE A 89 -2.080 4.221 -10.426 1.00 0.15 H new ATOM 0 HD1 PHE A 89 -0.479 7.285 -9.028 1.00 0.15 H new ATOM 0 HD2 PHE A 89 -3.100 4.015 -8.244 1.00 0.21 H new ATOM 0 HE1 PHE A 89 -1.198 8.355 -6.936 1.00 0.20 H new ATOM 0 HE2 PHE A 89 -3.814 5.091 -6.156 1.00 0.25 H new ATOM 0 HZ PHE A 89 -2.867 7.262 -5.502 1.00 0.25 H new ATOM 1387 N SER A 90 1.885 5.525 -9.275 1.00 0.10 N ATOM 1388 CA SER A 90 2.795 6.239 -8.324 1.00 0.12 C ATOM 1389 C SER A 90 2.662 7.755 -8.481 1.00 0.19 C ATOM 1390 O SER A 90 2.074 8.234 -9.431 1.00 0.24 O ATOM 1391 CB SER A 90 4.236 5.826 -8.613 1.00 0.22 C ATOM 1392 OG SER A 90 4.474 6.296 -9.932 1.00 0.43 O ATOM 0 H SER A 90 2.130 5.613 -10.261 1.00 0.10 H new ATOM 0 HA SER A 90 2.521 5.971 -7.304 1.00 0.12 H new ATOM 0 HB2 SER A 90 4.929 6.272 -7.900 1.00 0.22 H new ATOM 0 HB3 SER A 90 4.362 4.745 -8.546 1.00 0.22 H new ATOM 0 HG SER A 90 5.390 6.071 -10.199 1.00 0.43 H new ATOM 1398 N GLY A 91 3.222 8.474 -7.538 1.00 0.22 N ATOM 1399 CA GLY A 91 3.151 9.965 -7.597 1.00 0.33 C ATOM 1400 C GLY A 91 2.626 10.523 -6.272 1.00 0.42 C ATOM 1401 O GLY A 91 1.925 9.848 -5.545 1.00 0.57 O ATOM 0 H GLY A 91 3.722 8.094 -6.735 1.00 0.22 H new ATOM 0 HA2 GLY A 91 4.139 10.375 -7.807 1.00 0.33 H new ATOM 0 HA3 GLY A 91 2.498 10.273 -8.414 1.00 0.33 H new ATOM 1405 N ALA A 92 2.984 11.744 -5.985 1.00 0.51 N ATOM 1406 CA ALA A 92 2.514 12.369 -4.714 1.00 0.63 C ATOM 1407 C ALA A 92 1.028 12.737 -4.817 1.00 0.48 C ATOM 1408 O ALA A 92 0.604 13.757 -4.309 1.00 0.28 O ATOM 1409 CB ALA A 92 3.333 13.631 -4.448 1.00 0.83 C ATOM 0 H ALA A 92 3.577 12.333 -6.570 1.00 0.51 H new ATOM 0 HA ALA A 92 2.643 11.659 -3.897 1.00 0.63 H new ATOM 0 HB1 ALA A 92 2.996 14.095 -3.521 1.00 0.83 H new ATOM 0 HB2 ALA A 92 4.387 13.369 -4.361 1.00 0.83 H new ATOM 0 HB3 ALA A 92 3.200 14.331 -5.273 1.00 0.83 H new ATOM 1415 N ASN A 93 0.268 11.901 -5.472 1.00 0.72 N ATOM 1416 CA ASN A 93 -1.190 12.191 -5.610 1.00 0.62 C ATOM 1417 C ASN A 93 -1.963 11.579 -4.437 1.00 0.61 C ATOM 1418 O ASN A 93 -1.726 10.447 -4.060 1.00 0.82 O ATOM 1419 CB ASN A 93 -1.698 11.597 -6.923 1.00 0.54 C ATOM 1420 CG ASN A 93 -2.617 12.609 -7.611 1.00 0.77 C ATOM 1421 OD1 ASN A 93 -2.433 12.947 -8.764 1.00 0.97 O ATOM 1422 ND2 ASN A 93 -3.616 13.116 -6.941 1.00 0.83 N ATOM 0 H ASN A 93 0.588 11.039 -5.913 1.00 0.72 H new ATOM 0 HA ASN A 93 -1.343 13.270 -5.609 1.00 0.62 H new ATOM 0 HB2 ASN A 93 -0.859 11.350 -7.573 1.00 0.54 H new ATOM 0 HB3 ASN A 93 -2.237 10.669 -6.732 1.00 0.54 H new ATOM 0 HD21 ASN A 93 -4.237 13.792 -7.385 1.00 0.83 H new ATOM 0 HD22 ASN A 93 -3.775 12.836 -5.973 1.00 0.83 H new ATOM 1429 N LYS A 94 -2.873 12.345 -3.888 1.00 0.64 N ATOM 1430 CA LYS A 94 -3.675 11.841 -2.729 1.00 0.69 C ATOM 1431 C LYS A 94 -5.151 11.714 -3.116 1.00 0.54 C ATOM 1432 O LYS A 94 -5.742 10.659 -2.988 1.00 0.57 O ATOM 1433 CB LYS A 94 -3.545 12.827 -1.568 1.00 0.99 C ATOM 1434 CG LYS A 94 -2.516 13.899 -1.933 1.00 1.63 C ATOM 1435 CD LYS A 94 -2.327 14.840 -0.745 1.00 1.12 C ATOM 1436 CE LYS A 94 -1.163 15.791 -1.035 1.00 1.79 C ATOM 1437 NZ LYS A 94 -1.608 17.207 -0.922 1.00 2.22 N ATOM 0 H LYS A 94 -3.095 13.294 -4.190 1.00 0.64 H new ATOM 0 HA LYS A 94 -3.300 10.860 -2.437 1.00 0.69 H new ATOM 0 HB2 LYS A 94 -4.510 13.288 -1.357 1.00 0.99 H new ATOM 0 HB3 LYS A 94 -3.237 12.303 -0.663 1.00 0.99 H new ATOM 0 HG2 LYS A 94 -1.567 13.433 -2.198 1.00 1.63 H new ATOM 0 HG3 LYS A 94 -2.851 14.459 -2.806 1.00 1.63 H new ATOM 0 HD2 LYS A 94 -3.240 15.408 -0.567 1.00 1.12 H new ATOM 0 HD3 LYS A 94 -2.127 14.266 0.160 1.00 1.12 H new ATOM 0 HE2 LYS A 94 -0.348 15.602 -0.336 1.00 1.79 H new ATOM 0 HE3 LYS A 94 -0.774 15.604 -2.036 1.00 1.79 H new ATOM 0 HZ1 LYS A 94 -0.807 17.840 -1.122 1.00 2.22 H new ATOM 0 HZ2 LYS A 94 -2.370 17.387 -1.606 1.00 2.22 H new ATOM 0 HZ3 LYS A 94 -1.958 17.385 0.041 1.00 2.22 H new ATOM 1451 N GLU A 95 -5.714 12.793 -3.579 1.00 0.42 N ATOM 1452 CA GLU A 95 -7.147 12.761 -3.972 1.00 0.32 C ATOM 1453 C GLU A 95 -7.392 11.651 -4.999 1.00 0.27 C ATOM 1454 O GLU A 95 -8.519 11.378 -5.362 1.00 0.28 O ATOM 1455 CB GLU A 95 -7.530 14.113 -4.574 1.00 0.19 C ATOM 1456 CG GLU A 95 -7.336 15.203 -3.517 1.00 1.14 C ATOM 1457 CD GLU A 95 -8.693 15.579 -2.922 1.00 1.56 C ATOM 1458 OE1 GLU A 95 -9.409 16.286 -3.610 1.00 1.17 O ATOM 1459 OE2 GLU A 95 -8.938 15.136 -1.811 1.00 2.81 O ATOM 0 H GLU A 95 -5.246 13.691 -3.702 1.00 0.42 H new ATOM 0 HA GLU A 95 -7.757 12.561 -3.091 1.00 0.32 H new ATOM 0 HB2 GLU A 95 -6.915 14.323 -5.449 1.00 0.19 H new ATOM 0 HB3 GLU A 95 -8.567 14.095 -4.910 1.00 0.19 H new ATOM 0 HG2 GLU A 95 -6.668 14.849 -2.732 1.00 1.14 H new ATOM 0 HG3 GLU A 95 -6.867 16.079 -3.964 1.00 1.14 H new ATOM 1466 N LYS A 96 -6.331 11.038 -5.447 1.00 0.24 N ATOM 1467 CA LYS A 96 -6.493 9.944 -6.449 1.00 0.21 C ATOM 1468 C LYS A 96 -6.799 8.614 -5.745 1.00 0.25 C ATOM 1469 O LYS A 96 -7.645 7.865 -6.180 1.00 0.28 O ATOM 1470 CB LYS A 96 -5.202 9.808 -7.260 1.00 0.16 C ATOM 1471 CG LYS A 96 -5.421 8.779 -8.388 1.00 0.09 C ATOM 1472 CD LYS A 96 -5.320 9.470 -9.757 1.00 0.29 C ATOM 1473 CE LYS A 96 -3.847 9.731 -10.094 1.00 1.01 C ATOM 1474 NZ LYS A 96 -3.032 9.859 -8.853 1.00 2.40 N ATOM 0 H LYS A 96 -5.371 11.242 -5.168 1.00 0.24 H new ATOM 0 HA LYS A 96 -7.324 10.189 -7.111 1.00 0.21 H new ATOM 0 HB2 LYS A 96 -4.919 10.773 -7.681 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.384 9.490 -6.614 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.678 7.985 -8.316 1.00 0.09 H new ATOM 0 HG3 LYS A 96 -6.399 8.311 -8.279 1.00 0.09 H new ATOM 0 HD2 LYS A 96 -5.774 8.845 -10.526 1.00 0.29 H new ATOM 0 HD3 LYS A 96 -5.872 10.410 -9.743 1.00 0.29 H new ATOM 0 HE2 LYS A 96 -3.460 8.916 -10.706 1.00 1.01 H new ATOM 0 HE3 LYS A 96 -3.761 10.642 -10.686 1.00 1.01 H new ATOM 0 HZ1 LYS A 96 -2.104 10.265 -9.088 1.00 2.40 H new ATOM 0 HZ2 LYS A 96 -3.521 10.482 -8.179 1.00 2.40 H new ATOM 0 HZ3 LYS A 96 -2.901 8.920 -8.425 1.00 2.40 H new ATOM 1488 N LEU A 97 -6.104 8.352 -4.671 1.00 0.26 N ATOM 1489 CA LEU A 97 -6.341 7.067 -3.937 1.00 0.30 C ATOM 1490 C LEU A 97 -7.844 6.805 -3.778 1.00 0.32 C ATOM 1491 O LEU A 97 -8.358 5.821 -4.267 1.00 0.25 O ATOM 1492 CB LEU A 97 -5.701 7.152 -2.549 1.00 0.32 C ATOM 1493 CG LEU A 97 -4.185 7.328 -2.690 1.00 0.41 C ATOM 1494 CD1 LEU A 97 -3.644 8.011 -1.432 1.00 0.53 C ATOM 1495 CD2 LEU A 97 -3.517 5.955 -2.841 1.00 0.61 C ATOM 0 H LEU A 97 -5.390 8.961 -4.271 1.00 0.26 H new ATOM 0 HA LEU A 97 -5.898 6.252 -4.509 1.00 0.30 H new ATOM 0 HB2 LEU A 97 -6.124 7.989 -1.993 1.00 0.32 H new ATOM 0 HB3 LEU A 97 -5.921 6.248 -1.980 1.00 0.32 H new ATOM 0 HG LEU A 97 -3.969 7.935 -3.569 1.00 0.41 H new ATOM 0 HD11 LEU A 97 -2.566 8.140 -1.523 1.00 0.53 H new ATOM 0 HD12 LEU A 97 -4.118 8.986 -1.315 1.00 0.53 H new ATOM 0 HD13 LEU A 97 -3.863 7.394 -0.560 1.00 0.53 H new ATOM 0 HD21 LEU A 97 -2.439 6.084 -2.941 1.00 0.61 H new ATOM 0 HD22 LEU A 97 -3.730 5.348 -1.961 1.00 0.61 H new ATOM 0 HD23 LEU A 97 -3.907 5.456 -3.728 1.00 0.61 H new ATOM 1507 N GLU A 98 -8.513 7.691 -3.091 1.00 0.45 N ATOM 1508 CA GLU A 98 -9.981 7.505 -2.874 1.00 0.49 C ATOM 1509 C GLU A 98 -10.671 7.041 -4.157 1.00 0.47 C ATOM 1510 O GLU A 98 -11.173 5.938 -4.234 1.00 0.44 O ATOM 1511 CB GLU A 98 -10.590 8.830 -2.417 1.00 0.58 C ATOM 1512 CG GLU A 98 -11.877 8.548 -1.638 1.00 1.14 C ATOM 1513 CD GLU A 98 -12.638 9.859 -1.428 1.00 0.94 C ATOM 1514 OE1 GLU A 98 -12.103 10.686 -0.707 1.00 1.98 O ATOM 1515 OE2 GLU A 98 -13.711 9.960 -1.998 1.00 0.72 O ATOM 0 H GLU A 98 -8.112 8.530 -2.672 1.00 0.45 H new ATOM 0 HA GLU A 98 -10.128 6.740 -2.112 1.00 0.49 H new ATOM 0 HB2 GLU A 98 -9.882 9.373 -1.790 1.00 0.58 H new ATOM 0 HB3 GLU A 98 -10.803 9.463 -3.279 1.00 0.58 H new ATOM 0 HG2 GLU A 98 -12.498 7.837 -2.184 1.00 1.14 H new ATOM 0 HG3 GLU A 98 -11.641 8.093 -0.676 1.00 1.14 H new ATOM 1522 N ALA A 99 -10.682 7.893 -5.130 1.00 0.50 N ATOM 1523 CA ALA A 99 -11.347 7.531 -6.420 1.00 0.50 C ATOM 1524 C ALA A 99 -10.745 6.245 -6.999 1.00 0.41 C ATOM 1525 O ALA A 99 -11.427 5.483 -7.655 1.00 0.37 O ATOM 1526 CB ALA A 99 -11.164 8.674 -7.416 1.00 0.56 C ATOM 0 H ALA A 99 -10.264 8.823 -5.099 1.00 0.50 H new ATOM 0 HA ALA A 99 -12.408 7.363 -6.234 1.00 0.50 H new ATOM 0 HB1 ALA A 99 -11.647 8.416 -8.359 1.00 0.56 H new ATOM 0 HB2 ALA A 99 -11.614 9.582 -7.015 1.00 0.56 H new ATOM 0 HB3 ALA A 99 -10.100 8.841 -7.587 1.00 0.56 H new ATOM 1532 N THR A 100 -9.482 6.029 -6.751 1.00 0.48 N ATOM 1533 CA THR A 100 -8.842 4.793 -7.288 1.00 0.39 C ATOM 1534 C THR A 100 -9.465 3.567 -6.624 1.00 0.31 C ATOM 1535 O THR A 100 -9.778 2.596 -7.280 1.00 0.27 O ATOM 1536 CB THR A 100 -7.339 4.827 -7.009 1.00 0.35 C ATOM 1537 OG1 THR A 100 -6.899 6.077 -7.532 1.00 0.34 O ATOM 1538 CG2 THR A 100 -6.596 3.767 -7.819 1.00 0.34 C ATOM 0 H THR A 100 -8.874 6.643 -6.209 1.00 0.48 H new ATOM 0 HA THR A 100 -9.003 4.740 -8.365 1.00 0.39 H new ATOM 0 HB THR A 100 -7.154 4.669 -5.946 1.00 0.35 H new ATOM 0 HG1 THR A 100 -7.286 6.807 -7.005 1.00 0.34 H new ATOM 0 HG21 THR A 100 -5.530 3.820 -7.596 1.00 0.34 H new ATOM 0 HG22 THR A 100 -6.973 2.778 -7.557 1.00 0.34 H new ATOM 0 HG23 THR A 100 -6.753 3.945 -8.883 1.00 0.34 H new ATOM 1546 N ILE A 101 -9.628 3.631 -5.331 1.00 0.31 N ATOM 1547 CA ILE A 101 -10.254 2.481 -4.632 1.00 0.24 C ATOM 1548 C ILE A 101 -11.636 2.263 -5.218 1.00 0.23 C ATOM 1549 O ILE A 101 -12.064 1.147 -5.427 1.00 0.16 O ATOM 1550 CB ILE A 101 -10.360 2.788 -3.134 1.00 0.28 C ATOM 1551 CG1 ILE A 101 -9.026 2.458 -2.456 1.00 0.30 C ATOM 1552 CG2 ILE A 101 -11.465 1.931 -2.517 1.00 0.25 C ATOM 1553 CD1 ILE A 101 -8.777 3.456 -1.322 1.00 0.65 C ATOM 0 H ILE A 101 -9.359 4.417 -4.739 1.00 0.31 H new ATOM 0 HA ILE A 101 -9.651 1.583 -4.762 1.00 0.24 H new ATOM 0 HB ILE A 101 -10.594 3.843 -2.992 1.00 0.28 H new ATOM 0 HG12 ILE A 101 -9.045 1.441 -2.064 1.00 0.30 H new ATOM 0 HG13 ILE A 101 -8.214 2.504 -3.182 1.00 0.30 H new ATOM 0 HG21 ILE A 101 -11.542 2.148 -1.452 1.00 0.25 H new ATOM 0 HG22 ILE A 101 -12.414 2.157 -3.003 1.00 0.25 H new ATOM 0 HG23 ILE A 101 -11.228 0.876 -2.656 1.00 0.25 H new ATOM 0 HD11 ILE A 101 -7.829 3.226 -0.836 1.00 0.65 H new ATOM 0 HD12 ILE A 101 -8.740 4.467 -1.728 1.00 0.65 H new ATOM 0 HD13 ILE A 101 -9.584 3.387 -0.593 1.00 0.65 H new ATOM 1565 N ASN A 102 -12.297 3.347 -5.484 1.00 0.30 N ATOM 1566 CA ASN A 102 -13.652 3.253 -6.085 1.00 0.31 C ATOM 1567 C ASN A 102 -13.543 2.580 -7.448 1.00 0.32 C ATOM 1568 O ASN A 102 -14.528 2.167 -8.028 1.00 0.34 O ATOM 1569 CB ASN A 102 -14.216 4.664 -6.256 1.00 0.39 C ATOM 1570 CG ASN A 102 -15.726 4.648 -6.027 1.00 0.70 C ATOM 1571 OD1 ASN A 102 -16.364 3.615 -6.076 1.00 0.67 O ATOM 1572 ND2 ASN A 102 -16.336 5.773 -5.775 1.00 1.18 N ATOM 0 H ASN A 102 -11.960 4.294 -5.312 1.00 0.30 H new ATOM 0 HA ASN A 102 -14.310 2.670 -5.441 1.00 0.31 H new ATOM 0 HB2 ASN A 102 -13.739 5.344 -5.550 1.00 0.39 H new ATOM 0 HB3 ASN A 102 -13.994 5.035 -7.257 1.00 0.39 H new ATOM 0 HD21 ASN A 102 -17.344 5.783 -5.620 1.00 1.18 H new ATOM 0 HD22 ASN A 102 -15.805 6.643 -5.733 1.00 1.18 H new ATOM 1579 N GLU A 103 -12.334 2.483 -7.931 1.00 0.31 N ATOM 1580 CA GLU A 103 -12.122 1.846 -9.258 1.00 0.32 C ATOM 1581 C GLU A 103 -12.278 0.322 -9.159 1.00 0.27 C ATOM 1582 O GLU A 103 -12.972 -0.277 -9.956 1.00 0.34 O ATOM 1583 CB GLU A 103 -10.717 2.188 -9.760 1.00 0.31 C ATOM 1584 CG GLU A 103 -10.700 2.107 -11.288 1.00 0.33 C ATOM 1585 CD GLU A 103 -11.053 3.478 -11.871 1.00 1.12 C ATOM 1586 OE1 GLU A 103 -12.214 3.835 -11.752 1.00 2.13 O ATOM 1587 OE2 GLU A 103 -10.141 4.092 -12.400 1.00 1.26 O ATOM 0 H GLU A 103 -11.490 2.816 -7.466 1.00 0.31 H new ATOM 0 HA GLU A 103 -12.869 2.224 -9.956 1.00 0.32 H new ATOM 0 HB2 GLU A 103 -10.434 3.188 -9.433 1.00 0.31 H new ATOM 0 HB3 GLU A 103 -9.988 1.496 -9.338 1.00 0.31 H new ATOM 0 HG2 GLU A 103 -9.716 1.793 -11.636 1.00 0.33 H new ATOM 0 HG3 GLU A 103 -11.413 1.358 -11.632 1.00 0.33 H new ATOM 1594 N LEU A 104 -11.634 -0.274 -8.179 1.00 0.19 N ATOM 1595 CA LEU A 104 -11.736 -1.766 -8.038 1.00 0.21 C ATOM 1596 C LEU A 104 -12.703 -2.155 -6.907 1.00 0.23 C ATOM 1597 O LEU A 104 -12.982 -3.322 -6.712 1.00 0.35 O ATOM 1598 CB LEU A 104 -10.351 -2.352 -7.731 1.00 0.19 C ATOM 1599 CG LEU A 104 -9.267 -1.553 -8.462 1.00 0.29 C ATOM 1600 CD1 LEU A 104 -7.909 -2.217 -8.215 1.00 0.29 C ATOM 1601 CD2 LEU A 104 -9.560 -1.557 -9.965 1.00 0.46 C ATOM 0 H LEU A 104 -11.054 0.196 -7.484 1.00 0.19 H new ATOM 0 HA LEU A 104 -12.117 -2.166 -8.977 1.00 0.21 H new ATOM 0 HB2 LEU A 104 -10.168 -2.329 -6.657 1.00 0.19 H new ATOM 0 HB3 LEU A 104 -10.313 -3.397 -8.039 1.00 0.19 H new ATOM 0 HG LEU A 104 -9.254 -0.527 -8.094 1.00 0.29 H new ATOM 0 HD11 LEU A 104 -7.130 -1.656 -8.731 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -7.699 -2.229 -7.145 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -7.930 -3.239 -8.592 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -8.790 -0.989 -10.487 1.00 0.46 H new ATOM 0 HD22 LEU A 104 -9.566 -2.583 -10.332 1.00 0.46 H new ATOM 0 HD23 LEU A 104 -10.533 -1.101 -10.147 1.00 0.46 H new ATOM 1613 N VAL A 105 -13.194 -1.183 -6.185 1.00 0.18 N ATOM 1614 CA VAL A 105 -14.134 -1.515 -5.064 1.00 0.18 C ATOM 1615 C VAL A 105 -15.184 -2.528 -5.535 1.00 0.25 C ATOM 1616 O VAL A 105 -15.463 -2.506 -6.723 1.00 1.07 O ATOM 1617 CB VAL A 105 -14.835 -0.242 -4.591 1.00 0.22 C ATOM 1618 CG1 VAL A 105 -15.904 0.155 -5.610 1.00 0.31 C ATOM 1619 CG2 VAL A 105 -15.503 -0.510 -3.240 1.00 0.24 C ATOM 1620 OXT VAL A 105 -15.647 -3.265 -4.679 1.00 1.01 O ATOM 0 H VAL A 105 -12.993 -0.191 -6.315 1.00 0.18 H new ATOM 0 HA VAL A 105 -13.564 -1.949 -4.243 1.00 0.18 H new ATOM 0 HB VAL A 105 -14.107 0.563 -4.491 1.00 0.22 H new ATOM 0 HG11 VAL A 105 -16.406 1.063 -5.276 1.00 0.31 H new ATOM 0 HG12 VAL A 105 -15.435 0.335 -6.578 1.00 0.31 H new ATOM 0 HG13 VAL A 105 -16.634 -0.649 -5.704 1.00 0.31 H new ATOM 0 HG21 VAL A 105 -16.005 0.394 -2.897 1.00 0.24 H new ATOM 0 HG22 VAL A 105 -16.233 -1.312 -3.348 1.00 0.24 H new ATOM 0 HG23 VAL A 105 -14.747 -0.804 -2.512 1.00 0.24 H new TER 1630 VAL A 105