USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 180:sc= 0.00342 USER MOD Set 1.2: A 9 THR OG1 : rot 112:sc= 0.152 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 146:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 141:sc= 0.961 USER MOD Single : A 1 MET CE :methyl -151:sc=-0.00436 (180deg=-0.511) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.29 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.31 (180deg=1.19) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 25 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= 1.76 (180deg=0.911) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0248 (180deg=-0.459) USER MOD Single : A 31 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0105 (180deg=-0.344) USER MOD Single : A 40 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.3) USER MOD Single : A 41 GLN : amide:sc= 1.24 K(o=1.2,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.57 K(o=0.57,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot -71:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.162 USER MOD Single : A 60 ASN : amide:sc=-0.00694 X(o=-0.0069,f=-0.1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00671 X(o=-0.0067,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.009 -4.814 -4.384 1.00 0.78 N ATOM 2 CA MET A 1 12.745 -5.098 -2.956 1.00 0.70 C ATOM 3 C MET A 1 11.342 -5.526 -2.692 1.00 0.62 C ATOM 4 O MET A 1 10.386 -5.192 -3.392 1.00 0.68 O ATOM 5 CB MET A 1 13.181 -4.009 -1.962 1.00 0.75 C ATOM 6 CG MET A 1 12.304 -2.757 -1.897 1.00 0.79 C ATOM 7 SD MET A 1 12.885 -1.653 -0.576 1.00 1.10 S ATOM 8 CE MET A 1 11.247 -1.003 -0.139 1.00 0.84 C ATOM 0 H1 MET A 1 13.758 -4.097 -4.463 1.00 0.78 H new ATOM 0 H2 MET A 1 13.314 -5.686 -4.861 1.00 0.78 H new ATOM 0 H3 MET A 1 12.141 -4.459 -4.834 1.00 0.78 H new ATOM 0 HA MET A 1 13.406 -5.943 -2.761 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.220 -4.451 -0.966 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.196 -3.702 -2.215 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.330 -2.236 -2.854 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.267 -3.039 -1.715 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.350 0.010 0.251 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.613 -0.988 -1.026 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.794 -1.640 0.620 1.00 0.84 H new ATOM 20 N GLN A 2 11.124 -6.327 -1.634 1.00 0.59 N ATOM 21 CA GLN A 2 9.826 -6.882 -1.403 1.00 0.56 C ATOM 22 C GLN A 2 9.150 -6.207 -0.259 1.00 0.50 C ATOM 23 O GLN A 2 9.698 -6.110 0.838 1.00 0.60 O ATOM 24 CB GLN A 2 10.046 -8.352 -1.010 1.00 0.71 C ATOM 25 CG GLN A 2 8.818 -9.168 -0.606 1.00 1.15 C ATOM 26 CD GLN A 2 9.122 -10.659 -0.567 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.283 -11.403 -1.534 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.352 -11.213 0.653 1.00 1.72 N ATOM 0 H GLN A 2 11.833 -6.587 -0.949 1.00 0.59 H new ATOM 0 HA GLN A 2 9.209 -6.763 -2.294 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.523 -8.857 -1.850 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.753 -8.376 -0.181 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.470 -8.842 0.374 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.008 -8.980 -1.311 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.237 -10.653 1.497 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.639 -12.189 0.724 1.00 1.72 H new ATOM 37 N ILE A 3 7.929 -5.679 -0.458 1.00 0.44 N ATOM 38 CA ILE A 3 7.131 -5.215 0.635 1.00 0.42 C ATOM 39 C ILE A 3 5.868 -6.004 0.594 1.00 0.40 C ATOM 40 O ILE A 3 5.560 -6.677 -0.389 1.00 0.50 O ATOM 41 CB ILE A 3 6.925 -3.730 0.583 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.046 -3.234 -0.576 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.285 -3.014 0.643 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.668 -1.757 -0.494 1.00 0.72 C ATOM 0 H ILE A 3 7.494 -5.573 -1.375 1.00 0.44 H new ATOM 0 HA ILE A 3 7.626 -5.373 1.593 1.00 0.42 H new ATOM 0 HB ILE A 3 6.342 -3.468 1.466 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.571 -3.411 -1.515 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.133 -3.829 -0.604 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.130 -1.936 0.605 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.793 -3.275 1.571 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.897 -3.323 -0.205 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.048 -1.492 -1.350 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.113 -1.574 0.426 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.573 -1.149 -0.499 1.00 0.72 H new ATOM 56 N PHE A 4 5.040 -6.007 1.652 1.00 0.37 N ATOM 57 CA PHE A 4 3.824 -6.738 1.828 1.00 0.38 C ATOM 58 C PHE A 4 2.615 -5.896 2.053 1.00 0.39 C ATOM 59 O PHE A 4 2.691 -4.854 2.703 1.00 0.60 O ATOM 60 CB PHE A 4 4.051 -7.664 3.035 1.00 0.45 C ATOM 61 CG PHE A 4 5.142 -8.666 2.872 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.142 -9.587 1.851 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.057 -8.806 3.888 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.922 -10.718 1.915 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.794 -9.965 3.941 1.00 1.40 C ATOM 66 CZ PHE A 4 6.711 -10.975 3.012 1.00 0.85 C ATOM 0 H PHE A 4 5.247 -5.435 2.471 1.00 0.37 H new ATOM 0 HA PHE A 4 3.612 -7.277 0.905 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.272 -7.049 3.907 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.122 -8.194 3.246 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.519 -9.420 0.985 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.193 -8.027 4.624 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.915 -11.416 1.091 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.482 -10.090 4.764 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.233 -11.912 3.136 1.00 0.85 H new ATOM 76 N VAL A 5 1.441 -6.207 1.476 1.00 0.35 N ATOM 77 CA VAL A 5 0.260 -5.469 1.798 1.00 0.35 C ATOM 78 C VAL A 5 -0.781 -6.423 2.274 1.00 0.35 C ATOM 79 O VAL A 5 -1.169 -7.413 1.655 1.00 0.46 O ATOM 80 CB VAL A 5 -0.181 -4.720 0.575 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.426 -3.854 0.828 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.991 -3.840 0.106 1.00 0.56 C ATOM 0 H VAL A 5 1.310 -6.957 0.797 1.00 0.35 H new ATOM 0 HA VAL A 5 0.443 -4.745 2.592 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.460 -5.443 -0.192 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.701 -3.335 -0.090 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.252 -4.489 1.147 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.209 -3.123 1.607 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.695 -3.284 -0.784 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.261 -3.141 0.898 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.848 -4.471 -0.129 1.00 0.56 H new ATOM 92 N LYS A 6 -1.366 -6.212 3.467 1.00 0.36 N ATOM 93 CA LYS A 6 -2.424 -6.990 4.032 1.00 0.39 C ATOM 94 C LYS A 6 -3.740 -6.415 3.631 1.00 0.46 C ATOM 95 O LYS A 6 -4.058 -5.280 3.980 1.00 0.53 O ATOM 96 CB LYS A 6 -2.511 -6.954 5.566 1.00 0.54 C ATOM 97 CG LYS A 6 -1.172 -7.436 6.129 1.00 1.22 C ATOM 98 CD LYS A 6 -1.015 -8.956 6.051 1.00 1.37 C ATOM 99 CE LYS A 6 0.231 -9.449 6.789 1.00 1.93 C ATOM 100 NZ LYS A 6 0.362 -10.920 6.891 1.00 2.09 N ATOM 0 H LYS A 6 -1.080 -5.446 4.077 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.213 -7.999 3.678 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.727 -5.943 5.911 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.323 -7.591 5.916 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.359 -6.962 5.579 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -1.083 -7.118 7.168 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.899 -9.433 6.476 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.960 -9.260 5.006 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.113 -9.056 6.283 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.227 -9.030 7.795 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.367 -11.183 6.849 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.043 -11.243 7.793 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.147 -11.369 6.103 1.00 2.09 H new ATOM 114 N THR A 7 -4.610 -7.211 2.983 1.00 0.58 N ATOM 115 CA THR A 7 -5.913 -6.855 2.511 1.00 0.78 C ATOM 116 C THR A 7 -7.018 -7.102 3.479 1.00 0.94 C ATOM 117 O THR A 7 -6.822 -7.743 4.511 1.00 0.99 O ATOM 118 CB THR A 7 -6.260 -7.433 1.172 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.237 -8.853 1.189 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.052 -7.056 0.296 1.00 0.92 C ATOM 0 H THR A 7 -4.382 -8.183 2.773 1.00 0.58 H new ATOM 0 HA THR A 7 -5.828 -5.775 2.394 1.00 0.78 H new ATOM 0 HB THR A 7 -7.241 -7.082 0.853 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.469 -9.195 0.300 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.203 -7.434 -0.715 1.00 0.92 H new ATOM 0 HG22 THR A 7 -4.949 -5.971 0.266 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.147 -7.495 0.716 1.00 0.92 H new ATOM 128 N LEU A 8 -8.214 -6.552 3.200 1.00 1.17 N ATOM 129 CA LEU A 8 -9.375 -6.700 4.020 1.00 1.39 C ATOM 130 C LEU A 8 -9.947 -8.075 4.016 1.00 1.44 C ATOM 131 O LEU A 8 -10.432 -8.558 5.038 1.00 1.60 O ATOM 132 CB LEU A 8 -10.566 -5.790 3.673 1.00 1.66 C ATOM 133 CG LEU A 8 -10.186 -4.308 3.830 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.386 -3.415 3.472 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.810 -3.972 5.283 1.00 2.43 C ATOM 0 H LEU A 8 -8.378 -5.982 2.370 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.957 -6.424 4.988 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.889 -5.981 2.650 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.410 -6.024 4.322 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.338 -4.130 3.169 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.107 -2.368 3.586 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.683 -3.601 2.440 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.220 -3.643 4.136 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.547 -2.917 5.356 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.658 -4.181 5.936 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.958 -4.580 5.588 1.00 2.43 H new ATOM 147 N THR A 9 -9.958 -8.833 2.905 1.00 1.41 N ATOM 148 CA THR A 9 -10.502 -10.134 2.671 1.00 1.51 C ATOM 149 C THR A 9 -9.672 -11.202 3.297 1.00 1.37 C ATOM 150 O THR A 9 -10.060 -11.844 4.271 1.00 1.62 O ATOM 151 CB THR A 9 -10.693 -10.451 1.218 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.519 -10.076 0.511 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.782 -9.491 0.709 1.00 2.08 C ATOM 0 H THR A 9 -9.522 -8.477 2.054 1.00 1.41 H new ATOM 0 HA THR A 9 -11.486 -10.112 3.139 1.00 1.51 H new ATOM 0 HB THR A 9 -10.929 -11.507 1.083 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.065 -10.879 0.182 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.965 -9.676 -0.349 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.702 -9.654 1.270 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.452 -8.461 0.845 1.00 2.08 H new ATOM 161 N GLY A 10 -8.450 -11.395 2.771 1.00 1.18 N ATOM 162 CA GLY A 10 -7.515 -12.269 3.412 1.00 1.22 C ATOM 163 C GLY A 10 -6.296 -12.654 2.649 1.00 0.99 C ATOM 164 O GLY A 10 -6.151 -13.862 2.461 1.00 1.31 O ATOM 0 H GLY A 10 -8.112 -10.954 1.916 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.195 -11.796 4.340 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.043 -13.183 3.686 1.00 1.22 H new ATOM 168 N LYS A 11 -5.440 -11.675 2.303 1.00 0.73 N ATOM 169 CA LYS A 11 -4.241 -11.940 1.572 1.00 0.60 C ATOM 170 C LYS A 11 -3.138 -10.980 1.857 1.00 0.51 C ATOM 171 O LYS A 11 -3.255 -9.759 1.952 1.00 0.63 O ATOM 172 CB LYS A 11 -4.528 -12.138 0.074 1.00 0.75 C ATOM 173 CG LYS A 11 -3.356 -12.512 -0.837 1.00 0.87 C ATOM 174 CD LYS A 11 -3.679 -12.275 -2.313 1.00 1.04 C ATOM 175 CE LYS A 11 -2.503 -12.428 -3.279 1.00 1.30 C ATOM 176 NZ LYS A 11 -3.022 -12.355 -4.663 1.00 1.40 N ATOM 0 H LYS A 11 -5.581 -10.691 2.533 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.854 -12.890 1.940 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.287 -12.915 -0.021 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.967 -11.216 -0.307 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -2.480 -11.926 -0.559 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.100 -13.561 -0.686 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.464 -12.970 -2.611 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.086 -11.270 -2.421 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -1.767 -11.642 -3.108 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -1.998 -13.379 -3.113 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -2.305 -11.924 -5.281 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -3.241 -13.313 -5.003 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -3.886 -11.776 -4.680 1.00 1.40 H new ATOM 190 N THR A 12 -1.935 -11.573 1.955 1.00 0.49 N ATOM 191 CA THR A 12 -0.763 -10.772 2.119 1.00 0.48 C ATOM 192 C THR A 12 -0.144 -10.763 0.763 1.00 0.52 C ATOM 193 O THR A 12 0.623 -11.636 0.361 1.00 0.72 O ATOM 194 CB THR A 12 0.196 -11.482 3.028 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.351 -11.640 4.329 1.00 0.77 O ATOM 196 CG2 THR A 12 1.522 -10.715 3.168 1.00 0.78 C ATOM 0 H THR A 12 -1.775 -12.580 1.922 1.00 0.49 H new ATOM 0 HA THR A 12 -0.988 -9.784 2.521 1.00 0.48 H new ATOM 0 HB THR A 12 0.380 -12.456 2.574 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.107 -12.521 4.682 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.190 -11.261 3.834 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.989 -10.614 2.188 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.328 -9.725 3.581 1.00 0.78 H new ATOM 204 N ILE A 13 -0.428 -9.680 0.018 1.00 0.48 N ATOM 205 CA ILE A 13 0.127 -9.439 -1.277 1.00 0.55 C ATOM 206 C ILE A 13 1.598 -9.213 -1.345 1.00 0.51 C ATOM 207 O ILE A 13 2.040 -8.197 -0.811 1.00 0.56 O ATOM 208 CB ILE A 13 -0.503 -8.307 -2.033 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.007 -8.177 -1.736 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.389 -8.680 -3.520 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.598 -7.009 -2.525 1.00 1.55 C ATOM 0 H ILE A 13 -1.066 -8.947 0.328 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.106 -10.398 -1.740 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.010 -7.375 -1.757 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.519 -9.102 -2.001 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.163 -8.021 -0.669 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.832 -7.891 -4.128 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.662 -8.796 -3.786 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.915 -9.617 -3.701 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.663 -6.925 -2.308 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.095 -6.085 -2.239 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.458 -7.183 -3.592 1.00 1.55 H new ATOM 223 N THR A 14 2.416 -9.985 -2.083 1.00 0.55 N ATOM 224 CA THR A 14 3.825 -9.808 -2.250 1.00 0.54 C ATOM 225 C THR A 14 4.093 -8.833 -3.345 1.00 0.55 C ATOM 226 O THR A 14 4.033 -9.226 -4.508 1.00 0.72 O ATOM 227 CB THR A 14 4.558 -11.087 -2.528 1.00 0.67 C ATOM 228 OG1 THR A 14 4.264 -12.041 -1.517 1.00 1.08 O ATOM 229 CG2 THR A 14 6.076 -10.895 -2.373 1.00 1.03 C ATOM 0 H THR A 14 2.065 -10.791 -2.600 1.00 0.55 H new ATOM 0 HA THR A 14 4.200 -9.427 -1.300 1.00 0.54 H new ATOM 0 HB THR A 14 4.265 -11.395 -3.532 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.744 -12.875 -1.704 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.585 -11.837 -2.580 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.420 -10.135 -3.074 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.300 -10.577 -1.355 1.00 1.03 H new ATOM 237 N LEU A 15 4.510 -7.598 -3.012 1.00 0.50 N ATOM 238 CA LEU A 15 4.810 -6.616 -4.006 1.00 0.55 C ATOM 239 C LEU A 15 6.284 -6.517 -4.203 1.00 0.52 C ATOM 240 O LEU A 15 7.088 -6.428 -3.275 1.00 0.58 O ATOM 241 CB LEU A 15 4.275 -5.255 -3.529 1.00 0.69 C ATOM 242 CG LEU A 15 2.740 -5.179 -3.578 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.348 -3.723 -3.273 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.134 -5.573 -4.936 1.00 1.55 C ATOM 0 H LEU A 15 4.639 -7.280 -2.052 1.00 0.50 H new ATOM 0 HA LEU A 15 4.344 -6.901 -4.949 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.613 -5.072 -2.509 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.695 -4.464 -4.151 1.00 0.69 H new ATOM 0 HG LEU A 15 2.351 -5.892 -2.852 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.263 -3.626 -3.298 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.714 -3.447 -2.284 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.789 -3.063 -4.020 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.048 -5.493 -4.887 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.513 -4.906 -5.711 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.411 -6.600 -5.174 1.00 1.55 H new ATOM 256 N GLU A 16 6.681 -6.502 -5.488 1.00 0.59 N ATOM 257 CA GLU A 16 8.009 -6.141 -5.879 1.00 0.63 C ATOM 258 C GLU A 16 8.161 -4.731 -6.334 1.00 0.65 C ATOM 259 O GLU A 16 7.626 -4.308 -7.357 1.00 0.81 O ATOM 260 CB GLU A 16 8.388 -7.187 -6.941 1.00 0.76 C ATOM 261 CG GLU A 16 9.864 -7.154 -7.342 1.00 1.41 C ATOM 262 CD GLU A 16 10.240 -8.243 -8.336 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.631 -8.196 -9.439 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.109 -9.103 -8.031 1.00 1.95 O ATOM 0 H GLU A 16 6.071 -6.744 -6.268 1.00 0.59 H new ATOM 0 HA GLU A 16 8.691 -6.158 -5.029 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.146 -8.180 -6.562 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.776 -7.027 -7.829 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.094 -6.181 -7.775 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.479 -7.259 -6.448 1.00 1.41 H new ATOM 271 N VAL A 17 8.860 -3.889 -5.551 1.00 0.61 N ATOM 272 CA VAL A 17 9.055 -2.483 -5.719 1.00 0.63 C ATOM 273 C VAL A 17 10.515 -2.190 -5.677 1.00 0.65 C ATOM 274 O VAL A 17 11.332 -3.090 -5.484 1.00 0.76 O ATOM 275 CB VAL A 17 8.345 -1.626 -4.711 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.852 -1.964 -4.575 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.849 -1.780 -3.266 1.00 0.92 C ATOM 0 H VAL A 17 9.336 -4.231 -4.716 1.00 0.61 H new ATOM 0 HA VAL A 17 8.617 -2.228 -6.684 1.00 0.63 H new ATOM 0 HB VAL A 17 8.536 -0.630 -5.110 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.397 -1.310 -3.831 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.358 -1.821 -5.536 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.741 -3.002 -4.261 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.278 -1.123 -2.610 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.722 -2.814 -2.945 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.905 -1.512 -3.218 1.00 0.92 H new ATOM 287 N GLU A 18 10.812 -0.898 -5.904 1.00 0.68 N ATOM 288 CA GLU A 18 12.026 -0.209 -5.594 1.00 0.74 C ATOM 289 C GLU A 18 11.677 0.836 -4.592 1.00 0.71 C ATOM 290 O GLU A 18 10.522 1.231 -4.435 1.00 0.74 O ATOM 291 CB GLU A 18 12.595 0.538 -6.812 1.00 0.88 C ATOM 292 CG GLU A 18 12.910 -0.406 -7.974 1.00 1.16 C ATOM 293 CD GLU A 18 14.028 -1.321 -7.497 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.904 -0.850 -6.723 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.011 -2.541 -7.813 1.00 2.33 O ATOM 0 H GLU A 18 10.135 -0.278 -6.348 1.00 0.68 H new ATOM 0 HA GLU A 18 12.761 -0.936 -5.248 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.879 1.291 -7.142 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.502 1.067 -6.520 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.029 -0.984 -8.254 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.218 0.155 -8.857 1.00 1.16 H new ATOM 302 N PRO A 19 12.594 1.422 -3.880 1.00 0.74 N ATOM 303 CA PRO A 19 12.234 2.203 -2.733 1.00 0.74 C ATOM 304 C PRO A 19 11.879 3.586 -3.157 1.00 0.70 C ATOM 305 O PRO A 19 11.325 4.373 -2.389 1.00 0.74 O ATOM 306 CB PRO A 19 13.505 2.284 -1.891 1.00 0.86 C ATOM 307 CG PRO A 19 14.655 1.925 -2.846 1.00 0.95 C ATOM 308 CD PRO A 19 13.984 0.990 -3.865 1.00 0.82 C ATOM 0 HA PRO A 19 11.389 1.766 -2.200 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.637 3.283 -1.476 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.463 1.592 -1.050 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.072 2.811 -3.325 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.474 1.430 -2.323 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.441 1.081 -4.851 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.074 -0.055 -3.567 1.00 0.82 H new ATOM 316 N SER A 20 12.107 3.846 -4.457 1.00 0.70 N ATOM 317 CA SER A 20 11.747 5.060 -5.121 1.00 0.74 C ATOM 318 C SER A 20 10.424 5.076 -5.806 1.00 0.71 C ATOM 319 O SER A 20 9.927 6.113 -6.242 1.00 0.80 O ATOM 320 CB SER A 20 12.817 5.438 -6.161 1.00 0.89 C ATOM 321 OG SER A 20 14.092 5.790 -5.644 1.00 1.45 O ATOM 0 H SER A 20 12.565 3.176 -5.075 1.00 0.70 H new ATOM 0 HA SER A 20 11.675 5.780 -4.306 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.943 4.598 -6.844 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.442 6.275 -6.750 1.00 0.89 H new ATOM 0 HG SER A 20 14.696 6.010 -6.384 1.00 1.45 H new ATOM 327 N ASP A 21 9.756 3.909 -5.845 1.00 0.70 N ATOM 328 CA ASP A 21 8.431 3.891 -6.384 1.00 0.73 C ATOM 329 C ASP A 21 7.507 4.615 -5.466 1.00 0.64 C ATOM 330 O ASP A 21 7.696 4.670 -4.251 1.00 0.66 O ATOM 331 CB ASP A 21 7.881 2.462 -6.527 1.00 0.87 C ATOM 332 CG ASP A 21 8.730 1.746 -7.568 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.078 2.284 -8.652 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.995 0.524 -7.409 1.00 1.69 O ATOM 0 H ASP A 21 10.114 3.012 -5.518 1.00 0.70 H new ATOM 0 HA ASP A 21 8.487 4.361 -7.366 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.923 1.938 -5.572 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.835 2.483 -6.834 1.00 0.87 H new ATOM 339 N THR A 22 6.474 5.286 -6.005 1.00 0.63 N ATOM 340 CA THR A 22 5.558 6.028 -5.196 1.00 0.58 C ATOM 341 C THR A 22 4.496 5.161 -4.611 1.00 0.53 C ATOM 342 O THR A 22 4.330 3.998 -4.978 1.00 0.58 O ATOM 343 CB THR A 22 4.999 7.227 -5.904 1.00 0.63 C ATOM 344 OG1 THR A 22 4.296 6.850 -7.079 1.00 0.70 O ATOM 345 CG2 THR A 22 6.161 8.174 -6.248 1.00 0.75 C ATOM 0 H THR A 22 6.273 5.315 -7.005 1.00 0.63 H new ATOM 0 HA THR A 22 6.135 6.420 -4.358 1.00 0.58 H new ATOM 0 HB THR A 22 4.286 7.732 -5.252 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.941 7.651 -7.519 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.774 9.053 -6.764 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.662 8.483 -5.331 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.872 7.658 -6.894 1.00 0.75 H new ATOM 353 N ILE A 23 3.647 5.765 -3.760 1.00 0.51 N ATOM 354 CA ILE A 23 2.486 5.161 -3.188 1.00 0.48 C ATOM 355 C ILE A 23 1.455 4.973 -4.248 1.00 0.48 C ATOM 356 O ILE A 23 0.755 3.967 -4.354 1.00 0.51 O ATOM 357 CB ILE A 23 1.948 5.895 -1.996 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.039 5.866 -0.912 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.579 5.476 -1.434 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.361 4.545 -0.212 1.00 0.73 C ATOM 0 H ILE A 23 3.780 6.729 -3.455 1.00 0.51 H new ATOM 0 HA ILE A 23 2.780 4.187 -2.796 1.00 0.48 H new ATOM 0 HB ILE A 23 1.719 6.900 -2.350 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.961 6.230 -1.365 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.756 6.584 -0.143 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.331 6.100 -0.576 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.183 5.598 -2.204 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.617 4.432 -1.124 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.152 4.705 0.521 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.469 4.173 0.292 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.692 3.814 -0.949 1.00 0.73 H new ATOM 372 N GLU A 24 1.276 5.992 -5.107 1.00 0.50 N ATOM 373 CA GLU A 24 0.609 5.841 -6.363 1.00 0.53 C ATOM 374 C GLU A 24 0.977 4.697 -7.244 1.00 0.50 C ATOM 375 O GLU A 24 0.152 3.918 -7.722 1.00 0.55 O ATOM 376 CB GLU A 24 0.630 7.183 -7.114 1.00 0.64 C ATOM 377 CG GLU A 24 -0.286 7.290 -8.335 1.00 0.95 C ATOM 378 CD GLU A 24 -0.474 8.715 -8.833 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.361 9.136 -9.678 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.553 9.273 -8.495 1.00 1.56 O ATOM 0 H GLU A 24 1.602 6.941 -4.925 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.403 5.548 -6.083 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.359 7.972 -6.413 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.653 7.380 -7.435 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.126 6.684 -9.142 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.260 6.870 -8.086 1.00 0.95 H new ATOM 387 N ASN A 25 2.269 4.421 -7.496 1.00 0.51 N ATOM 388 CA ASN A 25 2.739 3.293 -8.239 1.00 0.52 C ATOM 389 C ASN A 25 2.475 1.981 -7.586 1.00 0.47 C ATOM 390 O ASN A 25 2.040 1.023 -8.223 1.00 0.53 O ATOM 391 CB ASN A 25 4.271 3.315 -8.370 1.00 0.64 C ATOM 392 CG ASN A 25 4.863 4.420 -9.234 1.00 1.23 C ATOM 393 OD1 ASN A 25 6.037 4.752 -9.073 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.117 4.945 -10.242 1.00 1.57 N ATOM 0 H ASN A 25 3.026 5.018 -7.163 1.00 0.51 H new ATOM 0 HA ASN A 25 2.207 3.378 -9.186 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.698 3.398 -7.370 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.593 2.356 -8.775 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.529 5.626 -10.880 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.145 4.658 -10.360 1.00 1.57 H new ATOM 401 N VAL A 26 2.603 1.920 -6.248 1.00 0.45 N ATOM 402 CA VAL A 26 2.321 0.789 -5.418 1.00 0.44 C ATOM 403 C VAL A 26 0.882 0.412 -5.496 1.00 0.40 C ATOM 404 O VAL A 26 0.422 -0.727 -5.566 1.00 0.44 O ATOM 405 CB VAL A 26 2.795 0.878 -3.998 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.355 -0.175 -2.966 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.316 0.834 -4.222 1.00 0.62 C ATOM 0 H VAL A 26 2.928 2.722 -5.707 1.00 0.45 H new ATOM 0 HA VAL A 26 2.929 -0.012 -5.840 1.00 0.44 H new ATOM 0 HB VAL A 26 2.356 1.754 -3.520 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.798 0.057 -1.998 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.269 -0.167 -2.879 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.686 -1.162 -3.289 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.827 0.891 -3.261 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.584 -0.097 -4.721 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.617 1.678 -4.843 1.00 0.62 H new ATOM 417 N LYS A 27 0.032 1.453 -5.540 1.00 0.40 N ATOM 418 CA LYS A 27 -1.366 1.233 -5.742 1.00 0.41 C ATOM 419 C LYS A 27 -1.707 0.676 -7.082 1.00 0.38 C ATOM 420 O LYS A 27 -2.626 -0.141 -7.112 1.00 0.42 O ATOM 421 CB LYS A 27 -2.215 2.506 -5.585 1.00 0.51 C ATOM 422 CG LYS A 27 -2.376 3.055 -4.165 1.00 0.76 C ATOM 423 CD LYS A 27 -3.143 4.377 -4.113 1.00 0.82 C ATOM 424 CE LYS A 27 -3.202 5.178 -2.809 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.395 6.026 -3.033 1.00 1.11 N ATOM 0 H LYS A 27 0.306 2.430 -5.438 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.601 0.509 -4.961 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.774 3.287 -6.204 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.208 2.304 -5.986 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.895 2.317 -3.554 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.390 3.197 -3.723 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.716 5.029 -4.875 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.170 4.168 -4.411 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.315 4.534 -1.937 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.301 5.771 -2.652 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.851 6.232 -2.121 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.107 6.917 -3.485 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.066 5.525 -3.650 1.00 1.11 H new ATOM 439 N ALA A 28 -0.945 1.056 -8.123 1.00 0.39 N ATOM 440 CA ALA A 28 -1.083 0.497 -9.432 1.00 0.39 C ATOM 441 C ALA A 28 -0.711 -0.941 -9.545 1.00 0.36 C ATOM 442 O ALA A 28 -1.276 -1.719 -10.313 1.00 0.42 O ATOM 443 CB ALA A 28 -0.210 1.369 -10.351 1.00 0.51 C ATOM 0 H ALA A 28 -0.217 1.767 -8.054 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.137 0.506 -9.711 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.270 0.994 -11.373 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.565 2.399 -10.320 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.825 1.332 -10.012 1.00 0.51 H new ATOM 449 N LYS A 29 0.291 -1.413 -8.782 1.00 0.39 N ATOM 450 CA LYS A 29 0.735 -2.767 -8.666 1.00 0.43 C ATOM 451 C LYS A 29 -0.159 -3.652 -7.867 1.00 0.44 C ATOM 452 O LYS A 29 -0.158 -4.879 -7.945 1.00 0.54 O ATOM 453 CB LYS A 29 2.067 -2.811 -7.900 1.00 0.54 C ATOM 454 CG LYS A 29 3.234 -2.131 -8.619 1.00 0.65 C ATOM 455 CD LYS A 29 4.510 -2.232 -7.781 1.00 1.08 C ATOM 456 CE LYS A 29 5.624 -1.350 -8.349 1.00 1.24 C ATOM 457 NZ LYS A 29 5.904 -1.849 -9.714 1.00 1.44 N ATOM 0 H LYS A 29 0.840 -0.787 -8.193 1.00 0.39 H new ATOM 0 HA LYS A 29 0.783 -3.118 -9.697 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.929 -2.336 -6.928 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.329 -3.852 -7.712 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.392 -2.598 -9.591 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.995 -1.084 -8.804 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.297 -1.935 -6.754 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.845 -3.269 -7.750 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.316 -0.305 -8.374 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.517 -1.404 -7.726 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.825 -1.488 -10.033 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.923 -2.889 -9.706 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.160 -1.521 -10.363 1.00 1.44 H new ATOM 471 N ILE A 30 -1.061 -3.031 -7.085 1.00 0.41 N ATOM 472 CA ILE A 30 -2.109 -3.704 -6.383 1.00 0.44 C ATOM 473 C ILE A 30 -3.270 -3.814 -7.310 1.00 0.45 C ATOM 474 O ILE A 30 -4.087 -4.731 -7.370 1.00 0.56 O ATOM 475 CB ILE A 30 -2.469 -3.072 -5.072 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.258 -3.074 -4.123 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.679 -3.756 -4.412 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.314 -2.025 -3.014 1.00 1.32 C ATOM 0 H ILE A 30 -1.060 -2.022 -6.936 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.762 -4.696 -6.094 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.755 -2.040 -5.276 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.172 -4.060 -3.667 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.353 -2.914 -4.710 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.903 -3.265 -3.465 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.543 -3.683 -5.072 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.449 -4.806 -4.230 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.420 -2.101 -2.395 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.365 -1.030 -3.456 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.197 -2.194 -2.398 1.00 1.32 H new ATOM 490 N GLN A 31 -3.440 -2.757 -8.124 1.00 0.41 N ATOM 491 CA GLN A 31 -4.516 -2.654 -9.060 1.00 0.48 C ATOM 492 C GLN A 31 -4.355 -3.703 -10.105 1.00 0.52 C ATOM 493 O GLN A 31 -5.277 -4.418 -10.495 1.00 0.66 O ATOM 494 CB GLN A 31 -4.749 -1.320 -9.791 1.00 0.52 C ATOM 495 CG GLN A 31 -6.074 -1.215 -10.549 1.00 0.70 C ATOM 496 CD GLN A 31 -6.228 0.118 -11.268 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.281 0.901 -11.320 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.477 0.546 -11.591 1.00 1.43 N ATOM 0 H GLN A 31 -2.813 -1.953 -8.132 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.389 -2.765 -8.417 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.701 -0.511 -9.062 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.932 -1.163 -10.496 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.139 -2.026 -11.275 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.900 -1.345 -9.850 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.265 -0.101 -11.549 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.627 1.514 -11.875 1.00 1.43 H new ATOM 507 N ASP A 32 -3.114 -3.981 -10.543 1.00 0.50 N ATOM 508 CA ASP A 32 -2.750 -5.074 -11.389 1.00 0.60 C ATOM 509 C ASP A 32 -3.130 -6.427 -10.894 1.00 0.65 C ATOM 510 O ASP A 32 -3.738 -7.240 -11.588 1.00 0.81 O ATOM 511 CB ASP A 32 -1.236 -4.907 -11.603 1.00 0.67 C ATOM 512 CG ASP A 32 -0.622 -5.990 -12.478 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.080 -6.243 -13.625 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.390 -6.531 -11.960 1.00 1.55 O ATOM 0 H ASP A 32 -2.313 -3.403 -10.289 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.314 -5.033 -12.321 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.047 -3.934 -12.057 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.738 -4.909 -10.633 1.00 0.67 H new ATOM 519 N LYS A 33 -2.829 -6.721 -9.617 1.00 0.62 N ATOM 520 CA LYS A 33 -3.067 -8.008 -9.040 1.00 0.73 C ATOM 521 C LYS A 33 -4.485 -8.225 -8.640 1.00 0.69 C ATOM 522 O LYS A 33 -5.050 -9.267 -8.970 1.00 0.83 O ATOM 523 CB LYS A 33 -2.169 -8.180 -7.802 1.00 0.85 C ATOM 524 CG LYS A 33 -0.681 -8.234 -8.150 1.00 1.31 C ATOM 525 CD LYS A 33 0.242 -8.220 -6.930 1.00 1.71 C ATOM 526 CE LYS A 33 1.649 -7.930 -7.456 1.00 2.26 C ATOM 527 NZ LYS A 33 2.108 -9.094 -8.246 1.00 2.62 N ATOM 0 H LYS A 33 -2.411 -6.051 -8.971 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.835 -8.745 -9.809 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.346 -7.354 -7.113 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.449 -9.096 -7.281 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.486 -9.136 -8.730 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.436 -7.385 -8.788 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.070 -7.458 -6.216 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.212 -9.177 -6.409 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.644 -7.032 -8.074 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.331 -7.743 -6.627 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.140 -9.047 -8.366 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.857 -9.972 -7.748 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.650 -9.082 -9.180 1.00 2.62 H new ATOM 541 N GLU A 34 -5.070 -7.303 -7.855 1.00 0.63 N ATOM 542 CA GLU A 34 -6.258 -7.606 -7.120 1.00 0.67 C ATOM 543 C GLU A 34 -7.411 -6.827 -7.653 1.00 0.69 C ATOM 544 O GLU A 34 -8.582 -7.131 -7.429 1.00 0.95 O ATOM 545 CB GLU A 34 -6.073 -7.232 -5.640 1.00 0.73 C ATOM 546 CG GLU A 34 -5.026 -7.972 -4.805 1.00 0.83 C ATOM 547 CD GLU A 34 -5.453 -9.419 -4.601 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.480 -9.739 -3.945 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.732 -10.317 -5.114 1.00 1.37 O ATOM 0 H GLU A 34 -4.722 -6.352 -7.730 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.452 -8.674 -7.219 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.834 -6.169 -5.598 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.036 -7.361 -5.147 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.058 -7.937 -5.305 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.904 -7.480 -3.840 1.00 0.83 H new ATOM 556 N GLY A 35 -7.166 -5.867 -8.562 1.00 0.63 N ATOM 557 CA GLY A 35 -8.150 -5.112 -9.274 1.00 0.68 C ATOM 558 C GLY A 35 -8.702 -3.961 -8.507 1.00 0.76 C ATOM 559 O GLY A 35 -9.779 -3.471 -8.844 1.00 1.12 O ATOM 0 H GLY A 35 -6.215 -5.601 -8.816 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.709 -4.741 -10.199 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.969 -5.775 -9.554 1.00 0.68 H new ATOM 563 N ILE A 36 -7.993 -3.451 -7.484 1.00 0.70 N ATOM 564 CA ILE A 36 -8.490 -2.423 -6.621 1.00 0.76 C ATOM 565 C ILE A 36 -8.330 -1.031 -7.129 1.00 0.71 C ATOM 566 O ILE A 36 -7.153 -0.727 -7.315 1.00 0.73 O ATOM 567 CB ILE A 36 -8.021 -2.593 -5.207 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.052 -4.064 -4.759 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.804 -1.693 -4.236 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.872 -4.345 -3.268 1.00 1.16 C ATOM 0 H ILE A 36 -7.050 -3.761 -7.250 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.570 -2.567 -6.620 1.00 0.76 H new ATOM 0 HB ILE A 36 -6.979 -2.274 -5.182 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.005 -4.492 -5.070 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.271 -4.598 -5.300 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.435 -1.845 -3.222 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.669 -0.649 -4.519 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.863 -1.947 -4.279 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.915 -5.420 -3.093 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.906 -3.962 -2.940 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.667 -3.854 -2.707 1.00 1.16 H new ATOM 582 N PRO A 37 -9.267 -0.147 -7.309 1.00 0.75 N ATOM 583 CA PRO A 37 -9.001 1.169 -7.812 1.00 0.79 C ATOM 584 C PRO A 37 -8.184 2.057 -6.937 1.00 0.75 C ATOM 585 O PRO A 37 -8.528 2.147 -5.760 1.00 0.75 O ATOM 586 CB PRO A 37 -10.368 1.820 -8.011 1.00 0.95 C ATOM 587 CG PRO A 37 -11.198 0.575 -8.363 1.00 1.02 C ATOM 588 CD PRO A 37 -10.654 -0.555 -7.475 1.00 0.85 C ATOM 0 HA PRO A 37 -8.404 1.052 -8.717 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.727 2.322 -7.112 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.366 2.561 -8.810 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.258 0.745 -8.174 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.099 0.325 -9.419 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.180 -0.618 -6.523 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.741 -1.531 -7.953 1.00 0.85 H new ATOM 596 N PRO A 38 -7.231 2.782 -7.443 1.00 0.81 N ATOM 597 CA PRO A 38 -6.386 3.605 -6.628 1.00 0.85 C ATOM 598 C PRO A 38 -7.039 4.685 -5.836 1.00 0.89 C ATOM 599 O PRO A 38 -6.492 5.152 -4.839 1.00 0.99 O ATOM 600 CB PRO A 38 -5.362 4.188 -7.599 1.00 1.01 C ATOM 601 CG PRO A 38 -5.146 3.031 -8.585 1.00 1.25 C ATOM 602 CD PRO A 38 -6.564 2.448 -8.693 1.00 0.98 C ATOM 0 HA PRO A 38 -5.967 2.980 -5.839 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.738 5.082 -8.097 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.438 4.469 -7.094 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.771 3.378 -9.548 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.430 2.300 -8.209 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.096 2.872 -9.545 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.532 1.369 -8.842 1.00 0.98 H new ATOM 610 N ASP A 39 -8.234 5.161 -6.229 1.00 0.96 N ATOM 611 CA ASP A 39 -9.027 6.156 -5.575 1.00 1.11 C ATOM 612 C ASP A 39 -9.641 5.586 -4.343 1.00 1.00 C ATOM 613 O ASP A 39 -10.009 6.392 -3.490 1.00 1.14 O ATOM 614 CB ASP A 39 -10.181 6.699 -6.435 1.00 1.39 C ATOM 615 CG ASP A 39 -9.589 7.785 -7.321 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.108 8.839 -6.827 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.525 7.562 -8.560 1.00 2.23 O ATOM 0 H ASP A 39 -8.683 4.819 -7.079 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.340 6.975 -5.361 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.622 5.905 -7.038 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.976 7.102 -5.807 1.00 1.39 H new ATOM 622 N GLN A 40 -9.716 4.246 -4.258 1.00 0.87 N ATOM 623 CA GLN A 40 -10.395 3.416 -3.311 1.00 0.84 C ATOM 624 C GLN A 40 -9.476 3.064 -2.192 1.00 0.67 C ATOM 625 O GLN A 40 -9.860 2.901 -1.035 1.00 0.80 O ATOM 626 CB GLN A 40 -11.053 2.221 -4.019 1.00 0.95 C ATOM 627 CG GLN A 40 -11.984 1.325 -3.199 1.00 1.32 C ATOM 628 CD GLN A 40 -12.636 0.176 -3.956 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.452 -0.982 -3.584 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.313 0.559 -5.072 1.00 2.02 N ATOM 0 H GLN A 40 -9.234 3.672 -4.949 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.221 3.956 -2.848 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.620 2.606 -4.866 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.259 1.595 -4.425 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.417 0.910 -2.366 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.771 1.946 -2.771 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.411 1.550 -5.294 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.723 -0.144 -5.686 1.00 2.02 H new ATOM 639 N GLN A 41 -8.220 2.798 -2.594 1.00 0.56 N ATOM 640 CA GLN A 41 -7.224 2.264 -1.719 1.00 0.51 C ATOM 641 C GLN A 41 -6.682 3.255 -0.746 1.00 0.49 C ATOM 642 O GLN A 41 -6.192 4.300 -1.173 1.00 0.65 O ATOM 643 CB GLN A 41 -6.024 1.739 -2.524 1.00 0.67 C ATOM 644 CG GLN A 41 -6.156 0.439 -3.321 1.00 0.69 C ATOM 645 CD GLN A 41 -4.894 0.157 -4.124 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.838 -0.015 -3.515 1.00 0.66 O ATOM 647 NE2 GLN A 41 -4.943 0.132 -5.482 1.00 0.61 N ATOM 0 H GLN A 41 -7.890 2.957 -3.546 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.732 1.472 -1.170 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.734 2.522 -3.224 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.195 1.611 -1.827 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.350 -0.390 -2.641 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.011 0.507 -3.994 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.831 0.277 -5.963 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.092 -0.032 -6.020 1.00 0.61 H new ATOM 656 N ARG A 42 -6.771 2.935 0.557 1.00 0.47 N ATOM 657 CA ARG A 42 -6.057 3.685 1.544 1.00 0.55 C ATOM 658 C ARG A 42 -5.081 2.791 2.228 1.00 0.46 C ATOM 659 O ARG A 42 -5.469 1.768 2.789 1.00 0.52 O ATOM 660 CB ARG A 42 -6.935 4.429 2.564 1.00 0.73 C ATOM 661 CG ARG A 42 -8.021 5.200 1.811 1.00 1.04 C ATOM 662 CD ARG A 42 -8.813 6.033 2.822 1.00 1.28 C ATOM 663 NE ARG A 42 -9.780 6.776 1.964 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.876 7.317 2.571 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.490 6.822 3.686 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.565 8.372 2.046 1.00 2.78 N ATOM 0 H ARG A 42 -7.331 2.166 0.925 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.541 4.481 1.007 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.388 3.722 3.259 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.328 5.114 3.156 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.573 5.846 1.056 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.682 4.509 1.288 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.322 5.404 3.552 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.167 6.710 3.381 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.628 6.876 0.960 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.131 5.979 4.134 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.307 7.295 4.071 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.266 8.789 1.164 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.379 8.744 2.535 1.00 2.78 H new ATOM 680 N LEU A 43 -3.771 3.095 2.250 1.00 0.46 N ATOM 681 CA LEU A 43 -2.711 2.303 2.792 1.00 0.42 C ATOM 682 C LEU A 43 -2.313 2.957 4.070 1.00 0.43 C ATOM 683 O LEU A 43 -1.985 4.136 4.189 1.00 0.55 O ATOM 684 CB LEU A 43 -1.550 2.076 1.808 1.00 0.55 C ATOM 685 CG LEU A 43 -1.910 1.121 0.656 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.888 1.172 -0.492 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.932 -0.351 1.099 1.00 1.12 C ATOM 0 H LEU A 43 -3.426 3.970 1.854 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.049 1.285 2.986 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.241 3.035 1.393 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.695 1.674 2.351 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.895 1.459 0.333 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.189 0.480 -1.278 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.845 2.183 -0.896 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.095 0.889 -0.117 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.191 -0.983 0.249 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.948 -0.633 1.474 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.672 -0.482 1.888 1.00 1.12 H new ATOM 699 N ILE A 44 -2.218 2.116 5.116 1.00 0.42 N ATOM 700 CA ILE A 44 -1.870 2.579 6.423 1.00 0.46 C ATOM 701 C ILE A 44 -0.588 2.015 6.931 1.00 0.42 C ATOM 702 O ILE A 44 -0.344 0.829 6.715 1.00 0.53 O ATOM 703 CB ILE A 44 -2.975 2.307 7.400 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.383 2.685 6.908 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.775 2.984 8.767 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.490 4.185 6.637 1.00 1.27 C ATOM 0 H ILE A 44 -2.383 1.111 5.055 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.724 3.655 6.328 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.915 1.224 7.503 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.614 2.131 5.998 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.122 2.394 7.654 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.614 2.741 9.419 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.849 2.627 9.218 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.720 4.064 8.633 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.496 4.421 6.291 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.283 4.736 7.554 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.767 4.469 5.872 1.00 1.27 H new ATOM 718 N PHE A 45 0.222 2.754 7.710 1.00 0.42 N ATOM 719 CA PHE A 45 1.407 2.225 8.310 1.00 0.46 C ATOM 720 C PHE A 45 1.947 2.998 9.465 1.00 0.68 C ATOM 721 O PHE A 45 2.468 4.102 9.316 1.00 1.50 O ATOM 722 CB PHE A 45 2.525 2.088 7.263 1.00 0.56 C ATOM 723 CG PHE A 45 3.675 1.284 7.764 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.448 -0.057 7.965 1.00 1.19 C ATOM 725 CD2 PHE A 45 4.900 1.862 8.002 1.00 1.08 C ATOM 726 CE1 PHE A 45 4.490 -0.790 8.483 1.00 1.33 C ATOM 727 CE2 PHE A 45 5.958 1.112 8.462 1.00 1.20 C ATOM 728 CZ PHE A 45 5.685 -0.190 8.805 1.00 1.02 C ATOM 0 H PHE A 45 0.051 3.736 7.927 1.00 0.42 H new ATOM 0 HA PHE A 45 1.092 1.259 8.704 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.122 1.621 6.364 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.875 3.080 6.977 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.498 -0.512 7.728 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.033 2.919 7.825 1.00 1.08 H new ATOM 0 HE1 PHE A 45 4.368 -1.852 8.639 1.00 1.33 H new ATOM 0 HE2 PHE A 45 6.952 1.526 8.549 1.00 1.20 H new ATOM 0 HZ PHE A 45 6.430 -0.758 9.343 1.00 1.02 H new ATOM 738 N ALA A 46 1.726 2.436 10.667 1.00 0.81 N ATOM 739 CA ALA A 46 2.146 2.991 11.917 1.00 0.96 C ATOM 740 C ALA A 46 1.600 4.320 12.311 1.00 0.97 C ATOM 741 O ALA A 46 2.296 5.051 13.015 1.00 1.21 O ATOM 742 CB ALA A 46 3.631 2.679 12.161 1.00 1.20 C ATOM 0 H ALA A 46 1.230 1.551 10.772 1.00 0.81 H new ATOM 0 HA ALA A 46 1.610 2.464 12.706 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.941 3.106 13.115 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.777 1.599 12.182 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.230 3.110 11.359 1.00 1.20 H new ATOM 748 N GLY A 47 0.355 4.656 11.930 1.00 0.99 N ATOM 749 CA GLY A 47 -0.196 5.940 12.237 1.00 1.10 C ATOM 750 C GLY A 47 -0.246 6.830 11.044 1.00 1.03 C ATOM 751 O GLY A 47 -1.052 7.755 10.957 1.00 1.30 O ATOM 0 H GLY A 47 -0.270 4.040 11.410 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.202 5.815 12.638 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.401 6.413 13.016 1.00 1.10 H new ATOM 755 N LYS A 48 0.478 6.500 9.961 1.00 0.98 N ATOM 756 CA LYS A 48 0.404 7.234 8.736 1.00 1.05 C ATOM 757 C LYS A 48 -0.406 6.597 7.661 1.00 0.84 C ATOM 758 O LYS A 48 -0.172 5.453 7.271 1.00 0.81 O ATOM 759 CB LYS A 48 1.873 7.307 8.285 1.00 1.42 C ATOM 760 CG LYS A 48 2.944 8.000 9.131 1.00 1.61 C ATOM 761 CD LYS A 48 2.710 9.493 9.370 1.00 1.87 C ATOM 762 CE LYS A 48 3.571 10.268 10.370 1.00 2.22 C ATOM 763 NZ LYS A 48 4.946 10.344 9.826 1.00 2.55 N ATOM 0 H LYS A 48 1.125 5.712 9.934 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.091 8.190 8.905 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.207 6.281 8.133 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.879 7.793 7.309 1.00 1.42 H new ATOM 0 HG2 LYS A 48 3.005 7.498 10.096 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.910 7.872 8.643 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.810 9.992 8.406 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.672 9.609 9.683 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.167 11.268 10.526 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.572 9.770 11.339 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.553 10.867 10.489 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.322 9.383 9.697 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.930 10.835 8.909 1.00 2.55 H new ATOM 777 N GLN A 49 -1.392 7.367 7.167 1.00 0.84 N ATOM 778 CA GLN A 49 -2.045 7.034 5.939 1.00 0.80 C ATOM 779 C GLN A 49 -1.098 7.555 4.912 1.00 0.72 C ATOM 780 O GLN A 49 -0.462 8.601 5.036 1.00 0.83 O ATOM 781 CB GLN A 49 -3.487 7.551 5.801 1.00 1.03 C ATOM 782 CG GLN A 49 -3.644 9.072 5.804 1.00 1.67 C ATOM 783 CD GLN A 49 -3.445 9.739 7.158 1.00 1.92 C ATOM 784 OE1 GLN A 49 -2.359 9.883 7.716 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.570 10.300 7.677 1.00 2.48 N ATOM 0 H GLN A 49 -1.736 8.216 7.615 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.225 5.963 5.846 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.907 7.162 4.873 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.081 7.140 6.617 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -2.930 9.497 5.099 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.640 9.320 5.437 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.466 10.175 7.206 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -4.518 10.846 8.537 1.00 2.48 H new ATOM 794 N LEU A 50 -1.022 6.842 3.775 1.00 0.69 N ATOM 795 CA LEU A 50 -0.036 7.171 2.792 1.00 0.66 C ATOM 796 C LEU A 50 -0.550 7.941 1.624 1.00 0.72 C ATOM 797 O LEU A 50 -1.415 7.453 0.898 1.00 0.90 O ATOM 798 CB LEU A 50 0.717 5.910 2.337 1.00 0.65 C ATOM 799 CG LEU A 50 1.161 4.943 3.448 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.780 3.642 2.913 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.064 5.395 4.608 1.00 0.74 C ATOM 0 H LEU A 50 -1.627 6.056 3.538 1.00 0.69 H new ATOM 0 HA LEU A 50 0.656 7.849 3.291 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.080 5.363 1.642 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.601 6.222 1.781 1.00 0.65 H new ATOM 0 HG LEU A 50 0.172 4.836 3.894 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.071 3.007 3.750 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.050 3.118 2.296 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.659 3.877 2.313 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.251 4.552 5.273 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.011 5.760 4.211 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.571 6.193 5.163 1.00 0.74 H new ATOM 813 N GLU A 51 0.010 9.128 1.332 1.00 0.70 N ATOM 814 CA GLU A 51 -0.450 9.775 0.142 1.00 0.76 C ATOM 815 C GLU A 51 0.283 9.409 -1.102 1.00 0.77 C ATOM 816 O GLU A 51 1.379 8.862 -0.999 1.00 1.23 O ATOM 817 CB GLU A 51 -0.364 11.272 0.483 1.00 0.88 C ATOM 818 CG GLU A 51 -1.572 11.702 1.317 1.00 1.35 C ATOM 819 CD GLU A 51 -1.653 13.222 1.341 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.599 13.909 1.292 1.00 1.89 O ATOM 821 OE2 GLU A 51 -2.808 13.695 1.517 1.00 1.94 O ATOM 0 H GLU A 51 0.727 9.612 1.872 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.461 9.455 -0.112 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.555 11.473 1.033 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.321 11.858 -0.435 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -2.486 11.284 0.895 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.483 11.315 2.332 1.00 1.35 H new ATOM 828 N ASP A 52 -0.397 9.612 -2.245 1.00 0.66 N ATOM 829 CA ASP A 52 -0.105 9.107 -3.550 1.00 0.65 C ATOM 830 C ASP A 52 1.224 9.413 -4.150 1.00 0.60 C ATOM 831 O ASP A 52 2.027 8.493 -4.305 1.00 0.62 O ATOM 832 CB ASP A 52 -1.259 9.521 -4.477 1.00 0.81 C ATOM 833 CG ASP A 52 -2.574 9.186 -3.789 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.877 9.991 -2.868 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.277 8.186 -4.094 1.00 1.44 O ATOM 0 H ASP A 52 -1.237 10.190 -2.252 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.023 8.027 -3.429 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.206 10.588 -4.695 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.186 8.997 -5.430 1.00 0.81 H new ATOM 840 N GLY A 53 1.543 10.694 -4.411 1.00 0.68 N ATOM 841 CA GLY A 53 2.812 11.119 -4.916 1.00 0.73 C ATOM 842 C GLY A 53 3.888 11.366 -3.916 1.00 0.72 C ATOM 843 O GLY A 53 4.775 12.193 -4.126 1.00 0.97 O ATOM 0 H GLY A 53 0.891 11.464 -4.264 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.168 10.364 -5.617 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.661 12.036 -5.485 1.00 0.73 H new ATOM 847 N ARG A 54 3.846 10.617 -2.800 1.00 0.64 N ATOM 848 CA ARG A 54 5.018 10.516 -1.987 1.00 0.63 C ATOM 849 C ARG A 54 5.735 9.242 -2.280 1.00 0.59 C ATOM 850 O ARG A 54 5.149 8.302 -2.813 1.00 0.62 O ATOM 851 CB ARG A 54 4.606 10.689 -0.515 1.00 0.69 C ATOM 852 CG ARG A 54 3.581 11.742 -0.086 1.00 0.82 C ATOM 853 CD ARG A 54 4.060 13.190 -0.194 1.00 1.18 C ATOM 854 NE ARG A 54 2.852 14.039 0.011 1.00 1.50 N ATOM 855 CZ ARG A 54 2.064 14.548 -0.982 1.00 2.00 C ATOM 856 NH1 ARG A 54 2.615 14.670 -2.225 1.00 2.49 N ATOM 857 NH2 ARG A 54 0.818 15.073 -0.799 1.00 2.48 N ATOM 0 H ARG A 54 3.033 10.098 -2.469 1.00 0.64 H new ATOM 0 HA ARG A 54 5.733 11.307 -2.213 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.228 9.724 -0.177 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.518 10.889 0.047 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.685 11.625 -0.696 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.292 11.547 0.947 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.821 13.406 0.556 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.510 13.380 -1.168 1.00 1.18 H new ATOM 0 HE ARG A 54 2.592 14.258 0.973 1.00 1.50 H new ATOM 0 HH11 ARG A 54 3.581 14.386 -2.385 1.00 2.49 H new ATOM 0 HH12 ARG A 54 2.060 15.046 -2.994 1.00 2.49 H new ATOM 0 HH21 ARG A 54 0.410 15.105 0.135 1.00 2.48 H new ATOM 0 HH22 ARG A 54 0.294 15.433 -1.597 1.00 2.48 H new ATOM 871 N THR A 55 7.037 9.059 -1.995 1.00 0.63 N ATOM 872 CA THR A 55 7.675 7.810 -2.275 1.00 0.61 C ATOM 873 C THR A 55 7.762 6.893 -1.103 1.00 0.59 C ATOM 874 O THR A 55 7.633 7.268 0.061 1.00 0.64 O ATOM 875 CB THR A 55 9.025 7.936 -2.914 1.00 0.68 C ATOM 876 OG1 THR A 55 9.900 8.581 -1.999 1.00 0.75 O ATOM 877 CG2 THR A 55 9.114 8.712 -4.239 1.00 0.76 C ATOM 0 H THR A 55 7.641 9.766 -1.576 1.00 0.63 H new ATOM 0 HA THR A 55 7.001 7.361 -3.005 1.00 0.61 H new ATOM 0 HB THR A 55 9.292 6.908 -3.159 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.648 9.524 -1.915 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.147 8.723 -4.585 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.486 8.228 -4.987 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.772 9.735 -4.085 1.00 0.76 H new ATOM 885 N LEU A 56 8.015 5.596 -1.351 1.00 0.58 N ATOM 886 CA LEU A 56 8.326 4.596 -0.378 1.00 0.59 C ATOM 887 C LEU A 56 9.532 4.906 0.441 1.00 0.64 C ATOM 888 O LEU A 56 9.862 4.356 1.490 1.00 0.70 O ATOM 889 CB LEU A 56 8.442 3.204 -1.021 1.00 0.60 C ATOM 890 CG LEU A 56 7.157 2.584 -1.595 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.547 1.413 -2.512 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.111 2.100 -0.577 1.00 1.03 C ATOM 0 H LEU A 56 8.001 5.221 -2.299 1.00 0.58 H new ATOM 0 HA LEU A 56 7.485 4.593 0.315 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.176 3.264 -1.825 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.842 2.519 -0.273 1.00 0.60 H new ATOM 0 HG LEU A 56 6.663 3.398 -2.126 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.647 0.961 -2.928 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.177 1.780 -3.323 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.095 0.667 -1.936 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.254 1.684 -1.106 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.551 1.333 0.060 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.786 2.939 0.038 1.00 1.03 H new ATOM 904 N SER A 57 10.316 5.886 -0.041 1.00 0.68 N ATOM 905 CA SER A 57 11.429 6.437 0.667 1.00 0.75 C ATOM 906 C SER A 57 11.117 7.531 1.629 1.00 0.76 C ATOM 907 O SER A 57 11.581 7.500 2.768 1.00 0.84 O ATOM 908 CB SER A 57 12.497 7.023 -0.272 1.00 0.84 C ATOM 909 OG SER A 57 13.787 7.003 0.323 1.00 1.19 O ATOM 0 H SER A 57 10.170 6.310 -0.957 1.00 0.68 H new ATOM 0 HA SER A 57 11.780 5.564 1.217 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.516 6.454 -1.202 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.231 8.048 -0.531 1.00 0.84 H new ATOM 0 HG SER A 57 14.441 7.381 -0.301 1.00 1.19 H new ATOM 915 N ASP A 58 10.238 8.482 1.265 1.00 0.75 N ATOM 916 CA ASP A 58 9.732 9.560 2.059 1.00 0.78 C ATOM 917 C ASP A 58 8.941 9.046 3.212 1.00 0.77 C ATOM 918 O ASP A 58 9.086 9.571 4.314 1.00 0.86 O ATOM 919 CB ASP A 58 8.782 10.440 1.229 1.00 0.83 C ATOM 920 CG ASP A 58 9.511 11.118 0.079 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.538 11.809 0.319 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.022 10.908 -1.063 1.00 1.86 O ATOM 0 H ASP A 58 9.845 8.496 0.324 1.00 0.75 H new ATOM 0 HA ASP A 58 10.594 10.130 2.406 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.969 9.829 0.836 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.331 11.196 1.871 1.00 0.83 H new ATOM 927 N TYR A 59 8.122 7.988 3.071 1.00 0.72 N ATOM 928 CA TYR A 59 7.386 7.330 4.107 1.00 0.73 C ATOM 929 C TYR A 59 8.260 6.393 4.868 1.00 0.76 C ATOM 930 O TYR A 59 7.793 5.909 5.898 1.00 0.89 O ATOM 931 CB TYR A 59 6.178 6.525 3.601 1.00 0.73 C ATOM 932 CG TYR A 59 5.104 7.558 3.568 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.512 8.024 4.718 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.545 7.861 2.350 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.478 8.929 4.668 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.527 8.785 2.332 1.00 0.70 C ATOM 937 CZ TYR A 59 2.953 9.322 3.461 1.00 0.74 C ATOM 938 OH TYR A 59 2.021 10.382 3.442 1.00 0.86 O ATOM 0 H TYR A 59 7.963 7.560 2.159 1.00 0.72 H new ATOM 0 HA TYR A 59 7.019 8.138 4.740 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.359 6.094 2.616 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.929 5.700 4.269 1.00 0.73 H new ATOM 0 HD1 TYR A 59 4.865 7.673 5.677 1.00 0.74 H new ATOM 0 HD2 TYR A 59 4.892 7.391 1.441 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.076 9.334 5.585 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.155 9.109 1.372 1.00 0.70 H new ATOM 0 HH TYR A 59 2.369 11.113 2.890 1.00 0.86 H new ATOM 948 N ASN A 60 9.496 6.165 4.389 1.00 0.74 N ATOM 949 CA ASN A 60 10.417 5.232 4.960 1.00 0.79 C ATOM 950 C ASN A 60 10.016 3.813 5.163 1.00 0.75 C ATOM 951 O ASN A 60 10.251 3.166 6.182 1.00 0.86 O ATOM 952 CB ASN A 60 11.182 5.750 6.191 1.00 0.95 C ATOM 953 CG ASN A 60 11.955 6.993 5.777 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.019 6.905 5.163 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.467 8.163 6.269 1.00 1.83 N ATOM 0 H ASN A 60 9.868 6.649 3.572 1.00 0.74 H new ATOM 0 HA ASN A 60 11.084 5.175 4.100 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.489 5.984 6.999 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.863 4.986 6.566 1.00 0.95 H new ATOM 0 HD21 ASN A 60 11.989 9.029 6.137 1.00 1.83 H new ATOM 0 HD22 ASN A 60 10.579 8.174 6.770 1.00 1.83 H new ATOM 962 N ILE A 61 9.383 3.237 4.124 1.00 0.67 N ATOM 963 CA ILE A 61 8.995 1.863 4.029 1.00 0.65 C ATOM 964 C ILE A 61 10.125 0.958 3.676 1.00 0.66 C ATOM 965 O ILE A 61 10.849 1.151 2.700 1.00 0.75 O ATOM 966 CB ILE A 61 7.960 1.695 2.956 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.830 2.721 3.150 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.384 0.272 2.858 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.112 2.871 4.490 1.00 0.82 C ATOM 0 H ILE A 61 9.125 3.770 3.293 1.00 0.67 H new ATOM 0 HA ILE A 61 8.617 1.595 5.015 1.00 0.65 H new ATOM 0 HB ILE A 61 8.470 1.873 2.009 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.243 3.698 2.900 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.067 2.497 2.405 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.643 0.234 2.059 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.188 -0.432 2.642 1.00 0.72 H new ATOM 0 HG23 ILE A 61 6.912 0.004 3.804 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.352 3.648 4.410 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.639 1.926 4.757 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.833 3.146 5.260 1.00 0.82 H new ATOM 981 N GLN A 62 10.343 -0.049 4.540 1.00 0.67 N ATOM 982 CA GLN A 62 11.481 -0.909 4.438 1.00 0.70 C ATOM 983 C GLN A 62 11.198 -2.243 3.837 1.00 0.62 C ATOM 984 O GLN A 62 10.047 -2.544 3.523 1.00 0.64 O ATOM 985 CB GLN A 62 11.952 -1.190 5.874 1.00 0.85 C ATOM 986 CG GLN A 62 12.505 0.069 6.545 1.00 1.27 C ATOM 987 CD GLN A 62 12.988 -0.284 7.945 1.00 1.57 C ATOM 988 OE1 GLN A 62 12.208 -0.345 8.894 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.340 -0.362 8.074 1.00 2.16 N ATOM 0 H GLN A 62 9.722 -0.269 5.319 1.00 0.67 H new ATOM 0 HA GLN A 62 12.203 -0.402 3.798 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.120 -1.579 6.460 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.721 -1.963 5.860 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.326 0.479 5.956 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.734 0.838 6.596 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.935 -0.305 7.248 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.758 -0.478 8.997 1.00 2.16 H new ATOM 998 N LYS A 63 12.244 -3.065 3.636 1.00 0.64 N ATOM 999 CA LYS A 63 12.065 -4.359 3.057 1.00 0.62 C ATOM 1000 C LYS A 63 11.371 -5.304 3.975 1.00 0.59 C ATOM 1001 O LYS A 63 11.661 -5.536 5.147 1.00 0.66 O ATOM 1002 CB LYS A 63 13.436 -4.849 2.558 1.00 0.74 C ATOM 1003 CG LYS A 63 14.340 -5.282 3.715 1.00 0.89 C ATOM 1004 CD LYS A 63 15.702 -5.817 3.268 1.00 1.11 C ATOM 1005 CE LYS A 63 16.583 -6.145 4.474 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.847 -6.804 4.075 1.00 2.12 N ATOM 0 H LYS A 63 13.209 -2.834 3.873 1.00 0.64 H new ATOM 0 HA LYS A 63 11.391 -4.301 2.202 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.296 -5.686 1.873 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.923 -4.054 1.994 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.494 -4.433 4.381 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.830 -6.052 4.294 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.564 -6.711 2.660 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.199 -5.078 2.640 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.808 -5.228 5.018 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.035 -6.795 5.157 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.414 -7.009 4.922 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.634 -7.692 3.578 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.383 -6.174 3.444 1.00 2.12 H new ATOM 1020 N GLU A 64 10.330 -5.939 3.406 1.00 0.57 N ATOM 1021 CA GLU A 64 9.478 -6.897 4.040 1.00 0.58 C ATOM 1022 C GLU A 64 8.634 -6.292 5.110 1.00 0.56 C ATOM 1023 O GLU A 64 8.288 -6.852 6.149 1.00 0.70 O ATOM 1024 CB GLU A 64 10.089 -8.286 4.283 1.00 0.72 C ATOM 1025 CG GLU A 64 11.026 -8.718 3.152 1.00 0.96 C ATOM 1026 CD GLU A 64 11.571 -10.097 3.494 1.00 1.18 C ATOM 1027 OE1 GLU A 64 10.836 -11.074 3.800 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.814 -10.240 3.347 1.00 1.69 O ATOM 0 H GLU A 64 10.066 -5.770 2.435 1.00 0.57 H new ATOM 0 HA GLU A 64 8.741 -7.193 3.294 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.639 -8.278 5.224 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.289 -9.019 4.388 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.491 -8.744 2.203 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.841 -8.003 3.039 1.00 0.96 H new ATOM 1035 N SER A 65 8.267 -5.051 4.746 1.00 0.51 N ATOM 1036 CA SER A 65 7.512 -4.155 5.565 1.00 0.51 C ATOM 1037 C SER A 65 6.061 -4.260 5.244 1.00 0.43 C ATOM 1038 O SER A 65 5.681 -4.394 4.082 1.00 0.50 O ATOM 1039 CB SER A 65 8.018 -2.706 5.680 1.00 0.65 C ATOM 1040 OG SER A 65 7.511 -2.054 6.835 1.00 1.04 O ATOM 0 H SER A 65 8.508 -4.654 3.838 1.00 0.51 H new ATOM 0 HA SER A 65 7.679 -4.504 6.584 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.108 -2.704 5.712 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.724 -2.148 4.791 1.00 0.65 H new ATOM 0 HG SER A 65 7.857 -1.138 6.872 1.00 1.04 H new ATOM 1046 N THR A 66 5.209 -4.489 6.260 1.00 0.45 N ATOM 1047 CA THR A 66 3.837 -4.816 6.026 1.00 0.45 C ATOM 1048 C THR A 66 2.975 -3.604 6.115 1.00 0.43 C ATOM 1049 O THR A 66 2.941 -2.954 7.158 1.00 0.58 O ATOM 1050 CB THR A 66 3.403 -5.821 7.053 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.080 -7.056 6.875 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.897 -6.134 7.055 1.00 0.78 C ATOM 0 H THR A 66 5.471 -4.447 7.245 1.00 0.45 H new ATOM 0 HA THR A 66 3.735 -5.228 5.022 1.00 0.45 H new ATOM 0 HB THR A 66 3.653 -5.347 8.002 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.782 -7.694 7.557 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.679 -6.869 7.830 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.336 -5.221 7.254 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.607 -6.534 6.083 1.00 0.78 H new ATOM 1060 N LEU A 67 2.251 -3.209 5.052 1.00 0.38 N ATOM 1061 CA LEU A 67 1.302 -2.144 4.955 1.00 0.38 C ATOM 1062 C LEU A 67 -0.068 -2.708 5.110 1.00 0.37 C ATOM 1063 O LEU A 67 -0.415 -3.789 4.636 1.00 0.50 O ATOM 1064 CB LEU A 67 1.423 -1.229 3.725 1.00 0.46 C ATOM 1065 CG LEU A 67 2.830 -0.804 3.271 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.905 -0.046 1.935 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.548 0.153 4.237 1.00 1.31 C ATOM 0 H LEU A 67 2.345 -3.695 4.160 1.00 0.38 H new ATOM 0 HA LEU A 67 1.532 -1.458 5.770 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.941 -1.732 2.887 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.850 -0.324 3.926 1.00 0.46 H new ATOM 0 HG LEU A 67 3.297 -1.787 3.207 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.943 0.203 1.716 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.506 -0.673 1.138 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.319 0.870 2.003 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.532 0.401 3.839 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.962 1.065 4.348 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.660 -0.327 5.209 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.044 -1.981 5.683 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.396 -2.416 5.853 1.00 0.37 C ATOM 1081 C HIS A 68 -3.207 -1.656 4.860 1.00 0.35 C ATOM 1082 O HIS A 68 -3.065 -0.451 4.664 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.886 -2.228 7.298 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.019 -2.966 8.275 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.757 -2.588 8.687 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.157 -4.245 8.718 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.206 -3.619 9.381 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.074 -4.609 9.490 1.00 1.51 N ATOM 0 H HIS A 68 -0.881 -1.042 6.046 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.490 -3.487 5.676 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.892 -1.167 7.546 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.914 -2.581 7.383 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.998 -4.886 8.496 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.796 -3.628 9.785 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.965 -5.466 10.033 1.00 1.51 H new ATOM 1096 N LEU A 69 -4.161 -2.296 4.161 1.00 0.36 N ATOM 1097 CA LEU A 69 -5.004 -1.742 3.148 1.00 0.38 C ATOM 1098 C LEU A 69 -6.402 -1.613 3.645 1.00 0.41 C ATOM 1099 O LEU A 69 -7.036 -2.607 3.995 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.001 -2.637 1.897 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.900 -2.080 0.782 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.342 -0.781 0.176 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.967 -3.121 -0.348 1.00 1.14 C ATOM 0 H LEU A 69 -4.358 -3.284 4.319 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.616 -0.756 2.892 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.981 -2.734 1.524 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.338 -3.638 2.167 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.877 -1.870 1.218 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.013 -0.427 -0.607 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.261 -0.022 0.954 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.357 -0.972 -0.249 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.601 -2.746 -1.151 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.964 -3.305 -0.733 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.383 -4.051 0.038 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.908 -0.367 3.634 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.196 0.125 4.012 1.00 0.56 C ATOM 1117 C VAL A 70 -8.905 0.539 2.770 1.00 0.55 C ATOM 1118 O VAL A 70 -8.305 0.856 1.744 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.084 1.283 4.958 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.383 1.992 5.378 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.433 0.851 6.283 1.00 0.97 C ATOM 0 H VAL A 70 -6.322 0.403 3.312 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.750 -0.658 4.530 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.498 1.983 4.363 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.148 2.807 6.062 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.881 2.392 4.495 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.042 1.280 5.875 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.364 1.709 6.951 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.040 0.075 6.751 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.434 0.462 6.088 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.250 0.522 2.762 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.940 0.950 1.586 1.00 0.84 C ATOM 1133 C LEU A 71 -11.944 2.033 1.796 1.00 0.85 C ATOM 1134 O LEU A 71 -12.409 2.256 2.913 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.746 -0.224 1.004 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.884 -1.360 0.428 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.759 -2.558 0.020 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.918 -0.956 -0.699 1.00 2.78 C ATOM 0 H LEU A 71 -10.841 0.224 3.538 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.148 1.323 0.937 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.388 -0.631 1.785 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.400 0.154 0.218 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.226 -1.652 1.246 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.127 -3.349 -0.385 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.294 -2.932 0.893 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.476 -2.243 -0.738 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.360 -1.831 -1.031 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.485 -0.548 -1.536 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.223 -0.202 -0.330 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.268 2.771 0.720 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.125 3.913 0.792 1.00 1.10 C ATOM 1152 C ARG A 72 -14.530 3.519 0.491 1.00 1.35 C ATOM 1153 O ARG A 72 -14.662 2.534 -0.232 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.545 4.913 -0.221 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.280 6.219 -0.530 1.00 1.65 C ATOM 1156 CD ARG A 72 -12.660 6.901 -1.751 1.00 1.99 C ATOM 1157 NE ARG A 72 -13.160 8.295 -1.918 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.770 9.129 -2.927 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -12.246 8.687 -4.108 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.271 10.399 -2.881 1.00 3.75 N ATOM 0 H ARG A 72 -11.927 2.570 -0.220 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.162 4.362 1.784 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.547 5.180 0.126 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.423 4.381 -1.165 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -14.335 6.016 -0.715 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -13.230 6.885 0.331 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -11.575 6.914 -1.649 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -12.889 6.323 -2.646 1.00 1.99 H new ATOM 0 HE ARG A 72 -13.834 8.647 -1.238 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.129 7.687 -4.271 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -11.972 9.357 -4.827 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -13.896 10.673 -2.123 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -13.020 11.073 -3.604 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.547 4.221 1.022 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.925 3.954 0.749 1.00 1.93 C ATOM 1176 C LEU A 73 -17.715 5.139 0.312 1.00 2.13 C ATOM 1177 O LEU A 73 -17.874 5.341 -0.891 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.710 3.303 1.900 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.990 2.054 2.438 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -17.708 1.570 3.708 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.142 0.962 1.365 1.00 3.14 C ATOM 0 H LEU A 73 -15.405 5.001 1.663 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.827 3.244 -0.072 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.841 4.025 2.706 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.706 3.029 1.553 1.00 2.23 H new ATOM 0 HG LEU A 73 -15.945 2.269 2.661 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -17.204 0.685 4.096 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.687 2.358 4.460 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.743 1.323 3.469 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -16.646 0.051 1.700 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.200 0.759 1.200 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.688 1.301 0.434 1.00 3.14 H new ATOM 1193 N ARG A 74 -18.292 5.921 1.242 1.00 2.32 N ATOM 1194 CA ARG A 74 -18.804 7.216 0.917 1.00 2.55 C ATOM 1195 C ARG A 74 -17.897 8.205 1.567 1.00 2.58 C ATOM 1196 O ARG A 74 -16.756 8.461 1.184 1.00 3.08 O ATOM 1197 CB ARG A 74 -20.267 7.281 1.387 1.00 3.29 C ATOM 1198 CG ARG A 74 -21.229 6.246 0.801 1.00 4.01 C ATOM 1199 CD ARG A 74 -21.283 6.407 -0.721 1.00 4.67 C ATOM 1200 NE ARG A 74 -21.888 5.143 -1.227 1.00 5.36 N ATOM 1201 CZ ARG A 74 -21.948 4.906 -2.569 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -21.265 5.658 -3.482 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -22.685 3.862 -3.051 1.00 6.80 N ATOM 0 H ARG A 74 -18.404 5.656 2.221 1.00 2.32 H new ATOM 0 HA ARG A 74 -18.821 7.436 -0.150 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -20.279 7.179 2.472 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -20.654 8.273 1.155 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -20.900 5.240 1.060 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -22.224 6.376 1.227 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -21.883 7.272 -1.004 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -20.287 6.560 -1.136 1.00 4.67 H new ATOM 0 HE ARG A 74 -22.257 4.455 -0.570 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -20.680 6.433 -3.169 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -21.340 5.444 -4.477 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -23.193 3.256 -2.407 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -22.727 3.688 -4.055 1.00 6.80 H new ATOM 1217 N GLY A 75 -18.389 8.923 2.591 1.00 2.73 N ATOM 1218 CA GLY A 75 -17.869 10.175 3.051 1.00 3.22 C ATOM 1219 C GLY A 75 -17.184 9.957 4.355 1.00 3.16 C ATOM 1220 O GLY A 75 -17.402 10.673 5.332 1.00 3.57 O ATOM 0 H GLY A 75 -19.197 8.612 3.130 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -17.171 10.585 2.321 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -18.675 10.900 3.164 1.00 3.22 H new ATOM 1224 N GLY A 76 -16.240 8.999 4.365 1.00 3.14 N ATOM 1225 CA GLY A 76 -15.337 8.693 5.431 1.00 3.37 C ATOM 1226 C GLY A 76 -13.995 8.125 4.992 1.00 3.48 C ATOM 1227 O GLY A 76 -13.345 8.711 4.085 1.00 3.87 O ATOM 1228 OXT GLY A 76 -13.550 7.063 5.506 1.00 3.70 O ATOM 0 H GLY A 76 -16.098 8.389 3.560 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -15.159 9.600 6.009 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -15.816 7.978 6.100 1.00 3.37 H new TER 1232 GLY A 76