USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 833 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 81 LYS NZ :NH3+ -151:sc= 2.39 (180deg=0.558) USER MOD Set 1.2: A 83 SER OG : rot -125:sc= 1.01 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.297 K(o=1.1,f=-1.3) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 149:sc= 0.85 (180deg=0) USER MOD Set 3.1: A 61 THR OG1 : rot 180:sc= 0.0432 USER MOD Set 3.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 57 ASN : amide:sc= 1.03 K(o=1.5,f=-2.6) USER MOD Set 4.2: A 90 THR OG1 : rot -69:sc= 0.474 USER MOD Set 5.1: A 32 LYS NZ :NH3+ 169:sc= 0.904 (180deg=0) USER MOD Set 5.2: A 35 ASN : amide:sc= 1.86 K(o=2.8,f=-5.2!) USER MOD Set 6.1: A 2 GLN : amide:sc= -0.055 K(o=1.2,f=-3) USER MOD Set 6.2: A 10 LYS NZ :NH3+ -178:sc= 1.27 (180deg=0) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.153 (180deg=-0.622) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.011) USER MOD Single : A 6 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 8 GLN : amide:sc=0.000113 X(o=0.00011,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0416 (180deg=-0.39) USER MOD Single : A 11 HIS : no HE2:sc= 0.946 K(o=0.95,f=-3!) USER MOD Single : A 13 THR OG1 : rot -130:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.295 K(o=0.3,f=-5!) USER MOD Single : A 15 THR OG1 : rot -124:sc= 0.273 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 27 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.48) USER MOD Single : A 30 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=-0.0017) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -96:sc= 1.28 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -128:sc= 0.806 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0459) USER MOD Single : A 60 THR OG1 : rot 114:sc= -0.289! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -142:sc= 1.03 USER MOD Single : A 72 THR OG1 : rot -71:sc= 0.962 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.08) USER MOD Single : A 78 TYR OH : rot -6:sc= -2.62! USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0266) USER MOD Single : A 84 THR OG1 : rot -96:sc= 0.164 USER MOD Single : A 85 ASN : amide:sc= -0.0482 K(o=-0.048,f=-7.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.4!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.138 F(o=-2!,f=-0.14) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00586 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.374 15.263 2.507 1.00 2.73 N ATOM 2 CA MET A 1 -2.868 14.609 1.277 1.00 1.99 C ATOM 3 C MET A 1 -2.874 13.093 1.431 1.00 1.53 C ATOM 4 O MET A 1 -1.861 12.425 1.227 1.00 2.16 O ATOM 5 CB MET A 1 -2.039 15.018 0.051 1.00 2.50 C ATOM 6 CG MET A 1 -0.540 14.805 0.205 1.00 3.10 C ATOM 7 SD MET A 1 0.361 15.080 -1.334 1.00 4.10 S ATOM 8 CE MET A 1 -0.120 16.766 -1.700 1.00 4.70 C ATOM 0 H1 MET A 1 -2.347 16.293 2.366 1.00 2.73 H new ATOM 0 H2 MET A 1 -3.010 15.039 3.299 1.00 2.73 H new ATOM 0 H3 MET A 1 -1.417 14.918 2.723 1.00 2.73 H new ATOM 0 HA MET A 1 -3.892 14.946 1.118 1.00 1.99 H new ATOM 0 HB2 MET A 1 -2.387 14.452 -0.813 1.00 2.50 H new ATOM 0 HB3 MET A 1 -2.224 16.071 -0.162 1.00 2.50 H new ATOM 0 HG2 MET A 1 -0.158 15.479 0.971 1.00 3.10 H new ATOM 0 HG3 MET A 1 -0.355 13.789 0.554 1.00 3.10 H new ATOM 0 HE1 MET A 1 0.556 17.183 -2.446 1.00 4.70 H new ATOM 0 HE2 MET A 1 -1.139 16.778 -2.086 1.00 4.70 H new ATOM 0 HE3 MET A 1 -0.070 17.364 -0.790 1.00 4.70 H new ATOM 20 N GLN A 2 -4.014 12.566 1.837 1.00 0.97 N ATOM 21 CA GLN A 2 -4.230 11.132 1.879 1.00 0.74 C ATOM 22 C GLN A 2 -5.603 10.804 1.324 1.00 0.65 C ATOM 23 O GLN A 2 -6.602 10.809 2.043 1.00 0.86 O ATOM 24 CB GLN A 2 -4.078 10.578 3.295 1.00 1.18 C ATOM 25 CG GLN A 2 -2.632 10.350 3.715 1.00 1.83 C ATOM 26 CD GLN A 2 -1.940 9.276 2.887 1.00 2.42 C ATOM 27 OE1 GLN A 2 -0.725 9.319 2.676 1.00 2.91 O ATOM 28 NE2 GLN A 2 -2.706 8.301 2.415 1.00 3.09 N ATOM 0 H GLN A 2 -4.814 13.118 2.146 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.468 10.657 1.262 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -4.546 11.268 3.997 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -4.620 9.635 3.366 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -2.080 11.285 3.623 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.604 10.066 4.767 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -3.707 8.299 2.610 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -2.294 7.553 1.857 1.00 3.09 H new ATOM 37 N ASP A 3 -5.629 10.535 0.034 1.00 0.48 N ATOM 38 CA ASP A 3 -6.857 10.254 -0.692 1.00 0.44 C ATOM 39 C ASP A 3 -6.599 9.110 -1.651 1.00 0.32 C ATOM 40 O ASP A 3 -5.512 8.548 -1.649 1.00 0.32 O ATOM 41 CB ASP A 3 -7.311 11.487 -1.479 1.00 0.55 C ATOM 42 CG ASP A 3 -6.349 11.843 -2.598 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.277 12.409 -2.309 1.00 1.67 O ATOM 44 OD2 ASP A 3 -6.672 11.569 -3.773 1.00 1.97 O ATOM 0 H ASP A 3 -4.792 10.504 -0.548 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.642 9.988 0.016 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.300 11.304 -1.898 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.405 12.334 -0.800 1.00 0.55 H new ATOM 49 N TRP A 4 -7.576 8.790 -2.486 1.00 0.32 N ATOM 50 CA TRP A 4 -7.465 7.652 -3.388 1.00 0.27 C ATOM 51 C TRP A 4 -6.306 7.817 -4.375 1.00 0.24 C ATOM 52 O TRP A 4 -5.576 6.862 -4.652 1.00 0.25 O ATOM 53 CB TRP A 4 -8.781 7.436 -4.143 1.00 0.29 C ATOM 54 CG TRP A 4 -8.730 6.282 -5.094 1.00 0.28 C ATOM 55 CD1 TRP A 4 -9.097 6.284 -6.407 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.268 4.957 -4.806 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.894 5.041 -6.953 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.386 4.210 -5.990 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.767 4.332 -3.659 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -8.019 2.873 -6.061 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.406 3.001 -3.732 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.534 2.285 -4.924 1.00 0.22 C ATOM 0 H TRP A 4 -8.455 9.302 -2.558 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.256 6.772 -2.779 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.583 7.271 -3.423 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.030 8.343 -4.694 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.490 7.138 -6.939 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -9.090 4.779 -7.919 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.665 4.880 -2.734 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -8.113 2.316 -6.982 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.019 2.506 -2.854 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.244 1.245 -4.949 1.00 0.22 H new ATOM 73 N LEU A 5 -6.127 9.025 -4.896 1.00 0.28 N ATOM 74 CA LEU A 5 -5.075 9.281 -5.869 1.00 0.32 C ATOM 75 C LEU A 5 -3.706 9.173 -5.212 1.00 0.32 C ATOM 76 O LEU A 5 -2.769 8.615 -5.787 1.00 0.35 O ATOM 77 CB LEU A 5 -5.247 10.667 -6.508 1.00 0.42 C ATOM 78 CG LEU A 5 -6.425 10.818 -7.481 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.340 9.786 -8.596 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.761 10.719 -6.759 1.00 0.84 C ATOM 0 H LEU A 5 -6.695 9.839 -4.661 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.149 8.528 -6.654 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.364 11.401 -5.711 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.329 10.917 -7.039 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.360 11.812 -7.924 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.185 9.912 -9.273 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.410 9.922 -9.147 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.365 8.784 -8.167 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.572 10.830 -7.478 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.840 9.748 -6.271 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.829 11.508 -6.010 1.00 0.84 H new ATOM 92 N THR A 6 -3.602 9.691 -3.999 1.00 0.34 N ATOM 93 CA THR A 6 -2.358 9.627 -3.249 1.00 0.40 C ATOM 94 C THR A 6 -2.108 8.206 -2.729 1.00 0.35 C ATOM 95 O THR A 6 -0.973 7.726 -2.720 1.00 0.37 O ATOM 96 CB THR A 6 -2.382 10.626 -2.073 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.703 11.938 -2.558 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.040 10.671 -1.361 1.00 0.61 C ATOM 0 H THR A 6 -4.365 10.161 -3.512 1.00 0.34 H new ATOM 0 HA THR A 6 -1.544 9.897 -3.922 1.00 0.40 H new ATOM 0 HB THR A 6 -3.140 10.293 -1.364 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.673 12.073 -2.519 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.089 11.384 -0.538 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.802 9.681 -0.971 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.266 10.980 -2.063 1.00 0.61 H new ATOM 106 N PHE A 7 -3.180 7.532 -2.324 1.00 0.29 N ATOM 107 CA PHE A 7 -3.100 6.166 -1.812 1.00 0.26 C ATOM 108 C PHE A 7 -2.493 5.242 -2.862 1.00 0.23 C ATOM 109 O PHE A 7 -1.631 4.419 -2.552 1.00 0.24 O ATOM 110 CB PHE A 7 -4.498 5.669 -1.424 1.00 0.24 C ATOM 111 CG PHE A 7 -4.513 4.339 -0.719 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.437 3.161 -1.444 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.594 4.265 0.665 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.445 1.935 -0.804 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.604 3.043 1.310 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.552 1.886 0.594 1.00 0.27 C ATOM 0 H PHE A 7 -4.125 7.914 -2.341 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.461 6.161 -0.929 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.969 6.412 -0.781 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.107 5.596 -2.325 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.371 3.200 -2.521 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.650 5.174 1.245 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.369 1.022 -1.376 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.653 3.005 2.388 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.593 0.933 1.101 1.00 0.27 H new ATOM 126 N GLN A 8 -2.949 5.399 -4.100 1.00 0.23 N ATOM 127 CA GLN A 8 -2.467 4.601 -5.214 1.00 0.24 C ATOM 128 C GLN A 8 -0.957 4.673 -5.354 1.00 0.24 C ATOM 129 O GLN A 8 -0.272 3.658 -5.291 1.00 0.25 O ATOM 130 CB GLN A 8 -3.097 5.083 -6.505 1.00 0.27 C ATOM 131 CG GLN A 8 -4.431 4.436 -6.825 1.00 0.27 C ATOM 132 CD GLN A 8 -5.066 5.011 -8.073 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.831 4.537 -9.185 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.876 6.041 -7.895 1.00 0.45 N ATOM 0 H GLN A 8 -3.662 6.082 -4.356 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.746 3.567 -5.013 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.234 6.163 -6.448 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.407 4.892 -7.327 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.290 3.363 -6.954 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.108 4.569 -5.981 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.043 6.402 -6.956 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.334 6.474 -8.697 1.00 0.45 H new ATOM 143 N LYS A 9 -0.450 5.884 -5.538 1.00 0.26 N ATOM 144 CA LYS A 9 0.976 6.107 -5.745 1.00 0.29 C ATOM 145 C LYS A 9 1.804 5.429 -4.660 1.00 0.29 C ATOM 146 O LYS A 9 2.887 4.901 -4.917 1.00 0.33 O ATOM 147 CB LYS A 9 1.262 7.605 -5.713 1.00 0.32 C ATOM 148 CG LYS A 9 0.444 8.408 -6.703 1.00 0.33 C ATOM 149 CD LYS A 9 0.512 9.888 -6.387 1.00 0.67 C ATOM 150 CE LYS A 9 -0.192 10.716 -7.442 1.00 1.20 C ATOM 151 NZ LYS A 9 0.443 10.570 -8.778 1.00 1.88 N ATOM 0 H LYS A 9 -1.011 6.736 -5.548 1.00 0.26 H new ATOM 0 HA LYS A 9 1.249 5.683 -6.711 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.069 7.980 -4.708 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.321 7.767 -5.916 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.812 8.231 -7.713 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.593 8.074 -6.679 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.057 10.074 -5.414 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.555 10.198 -6.316 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -1.238 10.414 -7.502 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -0.180 11.765 -7.147 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 0.146 11.356 -9.391 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.478 10.583 -8.674 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.150 9.668 -9.205 1.00 1.88 H new ATOM 165 N LYS A 10 1.272 5.458 -3.451 1.00 0.28 N ATOM 166 CA LYS A 10 2.018 5.051 -2.268 1.00 0.30 C ATOM 167 C LYS A 10 1.812 3.583 -1.898 1.00 0.26 C ATOM 168 O LYS A 10 2.506 3.065 -1.020 1.00 0.29 O ATOM 169 CB LYS A 10 1.647 5.960 -1.092 1.00 0.38 C ATOM 170 CG LYS A 10 1.860 7.434 -1.409 1.00 0.63 C ATOM 171 CD LYS A 10 1.334 8.360 -0.324 1.00 0.73 C ATOM 172 CE LYS A 10 2.248 8.405 0.887 1.00 1.10 C ATOM 173 NZ LYS A 10 1.909 9.539 1.789 1.00 1.34 N ATOM 0 H LYS A 10 0.317 5.762 -3.259 1.00 0.28 H new ATOM 0 HA LYS A 10 3.077 5.156 -2.503 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.603 5.796 -0.824 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.246 5.688 -0.223 1.00 0.38 H new ATOM 0 HG2 LYS A 10 2.925 7.619 -1.551 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.367 7.672 -2.352 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.223 9.365 -0.730 1.00 0.73 H new ATOM 0 HD3 LYS A 10 0.342 8.029 -0.016 1.00 0.73 H new ATOM 0 HE2 LYS A 10 2.171 7.467 1.437 1.00 1.10 H new ATOM 0 HE3 LYS A 10 3.283 8.498 0.559 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 2.575 9.559 2.587 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 1.974 10.433 1.262 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 0.941 9.419 2.149 1.00 1.34 H new ATOM 187 N HIS A 11 0.861 2.906 -2.532 1.00 0.25 N ATOM 188 CA HIS A 11 0.558 1.531 -2.139 1.00 0.24 C ATOM 189 C HIS A 11 0.265 0.614 -3.319 1.00 0.23 C ATOM 190 O HIS A 11 0.249 -0.596 -3.157 1.00 0.26 O ATOM 191 CB HIS A 11 -0.616 1.487 -1.157 1.00 0.26 C ATOM 192 CG HIS A 11 -0.292 2.045 0.191 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.529 1.401 1.096 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.672 3.198 0.785 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.638 2.136 2.185 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.079 3.233 2.021 1.00 0.37 N ATOM 0 H HIS A 11 0.299 3.272 -3.300 1.00 0.25 H new ATOM 0 HA HIS A 11 1.461 1.159 -1.656 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.453 2.043 -1.579 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.945 0.454 -1.044 1.00 0.26 H new ATOM 0 HD1 HIS A 11 0.980 0.499 0.945 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.322 3.951 0.365 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.215 1.884 3.062 1.00 0.34 H new ATOM 205 N ILE A 12 0.037 1.163 -4.494 1.00 0.23 N ATOM 206 CA ILE A 12 -0.278 0.335 -5.649 1.00 0.24 C ATOM 207 C ILE A 12 0.960 0.155 -6.518 1.00 0.23 C ATOM 208 O ILE A 12 1.557 1.131 -6.980 1.00 0.30 O ATOM 209 CB ILE A 12 -1.426 0.940 -6.495 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.684 1.140 -5.642 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.740 0.058 -7.695 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.233 -0.132 -5.027 1.00 0.48 C ATOM 0 H ILE A 12 0.062 2.166 -4.678 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.610 -0.634 -5.277 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.095 1.913 -6.859 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.458 1.847 -4.844 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.459 1.594 -6.260 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.549 0.504 -8.273 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.853 -0.032 -8.322 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.043 -0.931 -7.350 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.122 0.101 -4.441 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.494 -0.835 -5.818 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.478 -0.578 -4.380 1.00 0.48 H new ATOM 224 N THR A 13 1.361 -1.092 -6.721 1.00 0.20 N ATOM 225 CA THR A 13 2.511 -1.379 -7.553 1.00 0.21 C ATOM 226 C THR A 13 2.155 -2.423 -8.612 1.00 0.22 C ATOM 227 O THR A 13 1.169 -3.153 -8.475 1.00 0.24 O ATOM 228 CB THR A 13 3.732 -1.838 -6.715 1.00 0.21 C ATOM 229 OG1 THR A 13 4.921 -1.767 -7.513 1.00 0.30 O ATOM 230 CG2 THR A 13 3.561 -3.253 -6.175 1.00 0.21 C ATOM 0 H THR A 13 0.907 -1.914 -6.322 1.00 0.20 H new ATOM 0 HA THR A 13 2.795 -0.453 -8.054 1.00 0.21 H new ATOM 0 HB THR A 13 3.813 -1.167 -5.860 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.410 -2.614 -7.448 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.441 -3.530 -5.595 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.678 -3.295 -5.537 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.441 -3.948 -7.006 1.00 0.21 H new ATOM 238 N ASN A 14 2.950 -2.476 -9.671 1.00 0.28 N ATOM 239 CA ASN A 14 2.677 -3.355 -10.802 1.00 0.33 C ATOM 240 C ASN A 14 3.692 -4.488 -10.864 1.00 0.32 C ATOM 241 O ASN A 14 3.682 -5.300 -11.791 1.00 0.36 O ATOM 242 CB ASN A 14 2.707 -2.560 -12.115 1.00 0.46 C ATOM 243 CG ASN A 14 4.070 -1.946 -12.408 1.00 1.36 C ATOM 244 OD1 ASN A 14 4.824 -1.597 -11.497 1.00 2.20 O ATOM 245 ND2 ASN A 14 4.389 -1.798 -13.681 1.00 2.08 N ATOM 0 H ASN A 14 3.797 -1.916 -9.772 1.00 0.28 H new ATOM 0 HA ASN A 14 1.684 -3.783 -10.665 1.00 0.33 H new ATOM 0 HB2 ASN A 14 2.426 -3.217 -12.938 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.960 -1.768 -12.071 1.00 0.46 H new ATOM 0 HD21 ASN A 14 5.285 -1.383 -13.937 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.740 -2.099 -14.408 1.00 2.08 H new ATOM 252 N THR A 15 4.561 -4.540 -9.870 1.00 0.33 N ATOM 253 CA THR A 15 5.615 -5.534 -9.827 1.00 0.36 C ATOM 254 C THR A 15 5.807 -6.054 -8.406 1.00 0.33 C ATOM 255 O THR A 15 5.718 -5.295 -7.441 1.00 0.36 O ATOM 256 CB THR A 15 6.942 -4.941 -10.364 1.00 0.42 C ATOM 257 OG1 THR A 15 8.022 -5.868 -10.196 1.00 0.48 O ATOM 258 CG2 THR A 15 7.282 -3.631 -9.667 1.00 0.43 C ATOM 0 H THR A 15 4.555 -3.899 -9.076 1.00 0.33 H new ATOM 0 HA THR A 15 5.322 -6.369 -10.464 1.00 0.36 H new ATOM 0 HB THR A 15 6.803 -4.746 -11.427 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.739 -5.445 -9.679 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.218 -3.239 -10.065 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.484 -2.909 -9.840 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.388 -3.805 -8.596 1.00 0.43 H new ATOM 266 N ARG A 16 6.035 -7.357 -8.276 1.00 0.32 N ATOM 267 CA ARG A 16 6.345 -7.951 -6.982 1.00 0.31 C ATOM 268 C ARG A 16 7.658 -7.385 -6.458 1.00 0.33 C ATOM 269 O ARG A 16 7.847 -7.231 -5.248 1.00 0.45 O ATOM 270 CB ARG A 16 6.434 -9.476 -7.089 1.00 0.36 C ATOM 271 CG ARG A 16 5.116 -10.146 -7.444 1.00 0.45 C ATOM 272 CD ARG A 16 4.102 -10.013 -6.319 1.00 0.38 C ATOM 273 NE ARG A 16 4.415 -10.875 -5.179 1.00 0.32 N ATOM 274 CZ ARG A 16 4.375 -10.474 -3.907 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.145 -9.200 -3.617 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.585 -11.342 -2.925 1.00 0.51 N ATOM 0 H ARG A 16 6.011 -8.020 -9.050 1.00 0.32 H new ATOM 0 HA ARG A 16 5.543 -7.706 -6.286 1.00 0.31 H new ATOM 0 HB2 ARG A 16 7.177 -9.735 -7.843 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.790 -9.877 -6.140 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.713 -9.699 -8.353 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.289 -11.201 -7.657 1.00 0.45 H new ATOM 0 HD2 ARG A 16 4.066 -8.975 -5.987 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.110 -10.261 -6.697 1.00 0.38 H new ATOM 0 HE ARG A 16 4.680 -11.842 -5.368 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.998 -8.525 -4.367 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.115 -8.896 -2.644 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.778 -12.320 -3.141 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.553 -11.031 -1.954 1.00 0.51 H new ATOM 290 N ASP A 17 8.558 -7.076 -7.380 1.00 0.37 N ATOM 291 CA ASP A 17 9.832 -6.470 -7.033 1.00 0.42 C ATOM 292 C ASP A 17 9.783 -4.967 -7.290 1.00 0.36 C ATOM 293 O ASP A 17 10.134 -4.497 -8.376 1.00 0.46 O ATOM 294 CB ASP A 17 10.961 -7.109 -7.845 1.00 0.60 C ATOM 295 CG ASP A 17 12.337 -6.723 -7.343 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.879 -5.690 -7.797 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.888 -7.461 -6.500 1.00 1.94 O ATOM 0 H ASP A 17 8.427 -7.237 -8.379 1.00 0.37 H new ATOM 0 HA ASP A 17 10.025 -6.640 -5.974 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.858 -8.194 -7.811 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.864 -6.812 -8.889 1.00 0.60 H new ATOM 302 N VAL A 18 9.297 -4.222 -6.304 1.00 0.31 N ATOM 303 CA VAL A 18 9.208 -2.774 -6.418 1.00 0.29 C ATOM 304 C VAL A 18 10.540 -2.128 -6.036 1.00 0.29 C ATOM 305 O VAL A 18 11.226 -2.592 -5.124 1.00 0.35 O ATOM 306 CB VAL A 18 8.040 -2.192 -5.564 1.00 0.36 C ATOM 307 CG1 VAL A 18 8.003 -2.785 -4.157 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.127 -0.675 -5.490 1.00 0.58 C ATOM 0 H VAL A 18 8.959 -4.598 -5.418 1.00 0.31 H new ATOM 0 HA VAL A 18 8.990 -2.537 -7.459 1.00 0.29 H new ATOM 0 HB VAL A 18 7.113 -2.471 -6.065 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.173 -2.349 -3.600 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.870 -3.865 -4.221 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.939 -2.564 -3.644 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.302 -0.292 -4.889 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.073 -0.387 -5.032 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.068 -0.258 -6.495 1.00 0.58 H new ATOM 318 N ASP A 19 10.923 -1.084 -6.771 1.00 0.34 N ATOM 319 CA ASP A 19 12.171 -0.387 -6.534 1.00 0.41 C ATOM 320 C ASP A 19 12.062 0.515 -5.311 1.00 0.39 C ATOM 321 O ASP A 19 11.927 1.735 -5.435 1.00 0.46 O ATOM 322 CB ASP A 19 12.533 0.452 -7.757 1.00 0.58 C ATOM 323 CG ASP A 19 12.496 -0.327 -9.054 1.00 1.11 C ATOM 324 OD1 ASP A 19 13.472 -1.060 -9.340 1.00 1.28 O ATOM 325 OD2 ASP A 19 11.495 -0.222 -9.790 1.00 1.91 O ATOM 0 H ASP A 19 10.374 -0.705 -7.543 1.00 0.34 H new ATOM 0 HA ASP A 19 12.950 -1.127 -6.353 1.00 0.41 H new ATOM 0 HB2 ASP A 19 11.844 1.294 -7.828 1.00 0.58 H new ATOM 0 HB3 ASP A 19 13.531 0.868 -7.620 1.00 0.58 H new ATOM 330 N CYS A 20 12.090 -0.096 -4.138 1.00 0.38 N ATOM 331 CA CYS A 20 11.953 0.615 -2.876 1.00 0.40 C ATOM 332 C CYS A 20 12.926 1.789 -2.763 1.00 0.38 C ATOM 333 O CYS A 20 12.510 2.918 -2.520 1.00 0.39 O ATOM 334 CB CYS A 20 12.174 -0.347 -1.712 1.00 0.51 C ATOM 335 SG CYS A 20 11.332 -1.947 -1.911 1.00 0.93 S ATOM 0 H CYS A 20 12.209 -1.104 -4.033 1.00 0.38 H new ATOM 0 HA CYS A 20 10.942 1.021 -2.840 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.244 -0.522 -1.596 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.826 0.124 -0.793 1.00 0.51 H new ATOM 340 N ASP A 21 14.213 1.530 -2.970 1.00 0.47 N ATOM 341 CA ASP A 21 15.251 2.537 -2.711 1.00 0.59 C ATOM 342 C ASP A 21 15.195 3.688 -3.716 1.00 0.53 C ATOM 343 O ASP A 21 15.904 4.683 -3.575 1.00 0.64 O ATOM 344 CB ASP A 21 16.646 1.898 -2.707 1.00 0.85 C ATOM 345 CG ASP A 21 17.189 1.618 -4.095 1.00 1.36 C ATOM 346 OD1 ASP A 21 16.761 0.619 -4.711 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.027 2.404 -4.586 1.00 1.66 O ATOM 0 H ASP A 21 14.567 0.638 -3.315 1.00 0.47 H new ATOM 0 HA ASP A 21 15.054 2.952 -1.723 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.337 2.557 -2.182 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.607 0.964 -2.146 1.00 0.85 H new ATOM 352 N ASN A 22 14.344 3.556 -4.719 1.00 0.50 N ATOM 353 CA ASN A 22 14.148 4.618 -5.696 1.00 0.49 C ATOM 354 C ASN A 22 12.813 5.304 -5.457 1.00 0.42 C ATOM 355 O ASN A 22 12.742 6.520 -5.280 1.00 0.43 O ATOM 356 CB ASN A 22 14.188 4.052 -7.115 1.00 0.59 C ATOM 357 CG ASN A 22 14.107 5.128 -8.182 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.619 6.235 -8.009 1.00 1.07 O ATOM 359 ND2 ASN A 22 13.440 4.822 -9.281 1.00 1.14 N ATOM 0 H ASN A 22 13.776 2.724 -4.880 1.00 0.50 H new ATOM 0 HA ASN A 22 14.953 5.345 -5.583 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.109 3.484 -7.248 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.361 3.354 -7.246 1.00 0.59 H new ATOM 0 HD21 ASN A 22 13.335 5.514 -10.023 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.030 3.894 -9.387 1.00 1.14 H new ATOM 366 N ILE A 23 11.763 4.504 -5.431 1.00 0.40 N ATOM 367 CA ILE A 23 10.412 5.004 -5.254 1.00 0.38 C ATOM 368 C ILE A 23 10.236 5.660 -3.882 1.00 0.33 C ATOM 369 O ILE A 23 9.627 6.723 -3.775 1.00 0.34 O ATOM 370 CB ILE A 23 9.381 3.868 -5.452 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.455 3.352 -6.896 1.00 0.45 C ATOM 372 CG2 ILE A 23 7.971 4.331 -5.119 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.446 2.268 -7.219 1.00 0.48 C ATOM 0 H ILE A 23 11.822 3.491 -5.532 1.00 0.40 H new ATOM 0 HA ILE A 23 10.237 5.767 -6.012 1.00 0.38 H new ATOM 0 HB ILE A 23 9.626 3.057 -4.767 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.304 4.189 -7.578 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.458 2.967 -7.082 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.273 3.508 -5.269 1.00 0.40 H new ATOM 0 HG22 ILE A 23 7.931 4.656 -4.079 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.698 5.162 -5.769 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.564 1.958 -8.257 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.609 1.412 -6.564 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.437 2.653 -7.068 1.00 0.48 H new ATOM 385 N LEU A 24 10.811 5.061 -2.840 1.00 0.30 N ATOM 386 CA LEU A 24 10.672 5.602 -1.489 1.00 0.29 C ATOM 387 C LEU A 24 11.559 6.827 -1.302 1.00 0.32 C ATOM 388 O LEU A 24 11.406 7.569 -0.331 1.00 0.33 O ATOM 389 CB LEU A 24 11.029 4.562 -0.413 1.00 0.31 C ATOM 390 CG LEU A 24 10.365 3.185 -0.541 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.698 2.323 0.662 1.00 1.03 C ATOM 392 CD2 LEU A 24 8.865 3.303 -0.688 1.00 1.01 C ATOM 0 H LEU A 24 11.371 4.211 -2.903 1.00 0.30 H new ATOM 0 HA LEU A 24 9.625 5.881 -1.372 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.110 4.421 -0.421 1.00 0.31 H new ATOM 0 HB3 LEU A 24 10.769 4.976 0.561 1.00 0.31 H new ATOM 0 HG LEU A 24 10.758 2.714 -1.442 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.219 1.350 0.556 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.778 2.191 0.727 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.336 2.808 1.569 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.429 2.308 -0.776 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.452 3.804 0.187 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.631 3.882 -1.581 1.00 1.01 H new ATOM 404 N SER A 25 12.479 7.038 -2.235 1.00 0.36 N ATOM 405 CA SER A 25 13.421 8.143 -2.137 1.00 0.41 C ATOM 406 C SER A 25 12.758 9.457 -2.549 1.00 0.42 C ATOM 407 O SER A 25 13.258 10.543 -2.248 1.00 0.49 O ATOM 408 CB SER A 25 14.652 7.863 -3.007 1.00 0.50 C ATOM 409 OG SER A 25 15.688 8.797 -2.752 1.00 1.28 O ATOM 0 H SER A 25 12.592 6.459 -3.067 1.00 0.36 H new ATOM 0 HA SER A 25 13.740 8.237 -1.099 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.014 6.853 -2.814 1.00 0.50 H new ATOM 0 HB3 SER A 25 14.373 7.905 -4.060 1.00 0.50 H new ATOM 0 HG SER A 25 16.460 8.592 -3.320 1.00 1.28 H new ATOM 415 N THR A 26 11.617 9.355 -3.223 1.00 0.41 N ATOM 416 CA THR A 26 10.900 10.535 -3.683 1.00 0.46 C ATOM 417 C THR A 26 10.143 11.198 -2.535 1.00 0.45 C ATOM 418 O THR A 26 9.937 10.588 -1.482 1.00 0.45 O ATOM 419 CB THR A 26 9.914 10.188 -4.820 1.00 0.49 C ATOM 420 OG1 THR A 26 8.948 9.224 -4.373 1.00 0.44 O ATOM 421 CG2 THR A 26 10.657 9.650 -6.034 1.00 0.56 C ATOM 0 H THR A 26 11.171 8.469 -3.461 1.00 0.41 H new ATOM 0 HA THR A 26 11.644 11.232 -4.068 1.00 0.46 H new ATOM 0 HB THR A 26 9.395 11.103 -5.105 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.385 8.355 -4.253 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.942 9.412 -6.822 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.358 10.403 -6.395 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.204 8.749 -5.756 1.00 0.56 H new ATOM 429 N ASN A 27 9.722 12.442 -2.750 1.00 0.49 N ATOM 430 CA ASN A 27 8.978 13.220 -1.750 1.00 0.52 C ATOM 431 C ASN A 27 7.660 12.535 -1.370 1.00 0.52 C ATOM 432 O ASN A 27 7.014 12.895 -0.383 1.00 0.67 O ATOM 433 CB ASN A 27 8.696 14.623 -2.302 1.00 0.61 C ATOM 434 CG ASN A 27 8.058 15.550 -1.285 1.00 0.87 C ATOM 435 OD1 ASN A 27 8.335 15.474 -0.085 1.00 1.46 O ATOM 436 ND2 ASN A 27 7.185 16.424 -1.756 1.00 1.53 N ATOM 0 H ASN A 27 9.885 12.944 -3.623 1.00 0.49 H new ATOM 0 HA ASN A 27 9.588 13.290 -0.850 1.00 0.52 H new ATOM 0 HB2 ASN A 27 9.630 15.064 -2.649 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.041 14.540 -3.169 1.00 0.61 H new ATOM 0 HD21 ASN A 27 6.713 17.067 -1.120 1.00 1.53 H new ATOM 0 HD22 ASN A 27 6.983 16.455 -2.755 1.00 1.53 H new ATOM 443 N LEU A 28 7.278 11.537 -2.151 1.00 0.48 N ATOM 444 CA LEU A 28 6.051 10.792 -1.915 1.00 0.47 C ATOM 445 C LEU A 28 6.173 9.947 -0.644 1.00 0.45 C ATOM 446 O LEU A 28 5.175 9.605 -0.007 1.00 0.52 O ATOM 447 CB LEU A 28 5.753 9.897 -3.120 1.00 0.47 C ATOM 448 CG LEU A 28 4.374 9.240 -3.122 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.282 10.282 -3.307 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.294 8.187 -4.212 1.00 0.51 C ATOM 0 H LEU A 28 7.807 11.221 -2.964 1.00 0.48 H new ATOM 0 HA LEU A 28 5.230 11.496 -1.780 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.855 10.492 -4.027 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.510 9.114 -3.166 1.00 0.47 H new ATOM 0 HG LEU A 28 4.222 8.755 -2.158 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.308 9.793 -3.305 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.326 11.004 -2.492 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.428 10.797 -4.257 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.306 7.727 -4.202 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.467 8.653 -5.182 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.052 7.423 -4.036 1.00 0.51 H new ATOM 462 N PHE A 29 7.410 9.620 -0.282 1.00 0.42 N ATOM 463 CA PHE A 29 7.682 8.846 0.926 1.00 0.40 C ATOM 464 C PHE A 29 8.722 9.558 1.785 1.00 0.42 C ATOM 465 O PHE A 29 8.630 9.559 3.014 1.00 0.48 O ATOM 466 CB PHE A 29 8.182 7.443 0.569 1.00 0.36 C ATOM 467 CG PHE A 29 7.240 6.664 -0.302 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.233 5.896 0.255 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.366 6.697 -1.679 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.370 5.175 -0.548 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.509 5.979 -2.484 1.00 0.39 C ATOM 472 CZ PHE A 29 5.510 5.217 -1.919 1.00 0.42 C ATOM 0 H PHE A 29 8.243 9.880 -0.810 1.00 0.42 H new ATOM 0 HA PHE A 29 6.753 8.755 1.488 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.143 7.529 0.062 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.356 6.885 1.489 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.120 5.860 1.328 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.146 7.293 -2.129 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.587 4.579 -0.102 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.620 6.014 -3.558 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.838 4.653 -2.549 1.00 0.42 H new ATOM 482 N HIS A 30 9.710 10.152 1.115 1.00 0.43 N ATOM 483 CA HIS A 30 10.774 10.919 1.762 1.00 0.52 C ATOM 484 C HIS A 30 11.659 10.005 2.609 1.00 0.45 C ATOM 485 O HIS A 30 12.141 10.392 3.675 1.00 0.48 O ATOM 486 CB HIS A 30 10.187 12.057 2.607 1.00 0.70 C ATOM 487 CG HIS A 30 11.153 13.177 2.841 1.00 1.23 C ATOM 488 ND1 HIS A 30 11.488 13.643 4.090 1.00 1.78 N ATOM 489 CD2 HIS A 30 11.863 13.916 1.961 1.00 2.07 C ATOM 490 CE1 HIS A 30 12.366 14.621 3.968 1.00 2.74 C ATOM 491 NE2 HIS A 30 12.616 14.808 2.685 1.00 2.97 N ATOM 0 H HIS A 30 9.795 10.114 0.099 1.00 0.43 H new ATOM 0 HA HIS A 30 11.396 11.365 0.986 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.300 12.449 2.110 1.00 0.70 H new ATOM 0 HB3 HIS A 30 9.864 11.658 3.568 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.842 13.823 0.885 1.00 2.07 H new ATOM 0 HE1 HIS A 30 12.807 15.176 4.783 1.00 2.74 H new ATOM 0 HE2 HIS A 30 13.259 15.498 2.297 1.00 2.97 H new ATOM 500 N CYS A 31 11.882 8.800 2.096 1.00 0.44 N ATOM 501 CA CYS A 31 12.705 7.790 2.758 1.00 0.45 C ATOM 502 C CYS A 31 12.177 7.461 4.153 1.00 0.40 C ATOM 503 O CYS A 31 12.797 7.778 5.170 1.00 0.47 O ATOM 504 CB CYS A 31 14.179 8.219 2.808 1.00 0.62 C ATOM 505 SG CYS A 31 14.873 8.672 1.181 1.00 1.10 S ATOM 0 H CYS A 31 11.495 8.493 1.204 1.00 0.44 H new ATOM 0 HA CYS A 31 12.644 6.879 2.163 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.277 9.069 3.483 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.770 7.406 3.231 1.00 0.62 H new ATOM 510 N LYS A 32 10.999 6.849 4.185 1.00 0.39 N ATOM 511 CA LYS A 32 10.387 6.412 5.431 1.00 0.43 C ATOM 512 C LYS A 32 11.059 5.135 5.937 1.00 0.45 C ATOM 513 O LYS A 32 11.953 4.599 5.283 1.00 0.55 O ATOM 514 CB LYS A 32 8.883 6.194 5.224 1.00 0.50 C ATOM 515 CG LYS A 32 8.537 5.047 4.284 1.00 0.53 C ATOM 516 CD LYS A 32 7.130 5.187 3.731 1.00 0.90 C ATOM 517 CE LYS A 32 6.084 5.188 4.830 1.00 2.05 C ATOM 518 NZ LYS A 32 4.715 5.380 4.287 1.00 2.72 N ATOM 0 H LYS A 32 10.445 6.643 3.353 1.00 0.39 H new ATOM 0 HA LYS A 32 10.525 7.186 6.186 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.419 6.007 6.192 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.446 7.113 4.833 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.252 5.021 3.461 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.628 4.100 4.815 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.056 6.112 3.159 1.00 0.90 H new ATOM 0 HD3 LYS A 32 6.929 4.368 3.040 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.130 4.246 5.376 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.307 5.981 5.543 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.016 5.191 5.033 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 4.608 6.359 3.953 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 4.561 4.725 3.494 1.00 2.72 H new ATOM 532 N ASP A 33 10.628 4.654 7.095 1.00 0.49 N ATOM 533 CA ASP A 33 11.187 3.433 7.674 1.00 0.54 C ATOM 534 C ASP A 33 10.843 2.221 6.824 1.00 0.48 C ATOM 535 O ASP A 33 11.717 1.444 6.441 1.00 0.51 O ATOM 536 CB ASP A 33 10.669 3.219 9.096 1.00 0.66 C ATOM 537 CG ASP A 33 11.248 4.207 10.081 1.00 1.28 C ATOM 538 OD1 ASP A 33 10.662 5.296 10.248 1.00 2.06 O ATOM 539 OD2 ASP A 33 12.297 3.902 10.686 1.00 1.57 O ATOM 0 H ASP A 33 9.894 5.088 7.654 1.00 0.49 H new ATOM 0 HA ASP A 33 12.270 3.550 7.702 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.582 3.303 9.099 1.00 0.66 H new ATOM 0 HB3 ASP A 33 10.911 2.206 9.418 1.00 0.66 H new ATOM 544 N LYS A 34 9.562 2.064 6.532 1.00 0.44 N ATOM 545 CA LYS A 34 9.097 0.957 5.717 1.00 0.41 C ATOM 546 C LYS A 34 7.828 1.345 4.979 1.00 0.38 C ATOM 547 O LYS A 34 7.144 2.294 5.365 1.00 0.43 O ATOM 548 CB LYS A 34 8.874 -0.306 6.570 1.00 0.48 C ATOM 549 CG LYS A 34 8.131 -0.076 7.883 1.00 0.95 C ATOM 550 CD LYS A 34 6.673 0.294 7.668 1.00 1.27 C ATOM 551 CE LYS A 34 5.971 0.574 8.983 1.00 1.96 C ATOM 552 NZ LYS A 34 4.609 1.129 8.774 1.00 2.60 N ATOM 0 H LYS A 34 8.824 2.693 6.849 1.00 0.44 H new ATOM 0 HA LYS A 34 9.868 0.725 4.982 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.317 -1.032 5.978 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.844 -0.752 6.792 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.188 -0.978 8.492 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.626 0.718 8.443 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.610 1.173 7.027 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.164 -0.517 7.148 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.903 -0.347 9.562 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.564 1.276 9.569 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 4.162 1.307 9.696 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 4.675 2.021 8.243 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 4.035 0.448 8.237 1.00 2.60 H new ATOM 566 N ASN A 35 7.516 0.623 3.917 1.00 0.37 N ATOM 567 CA ASN A 35 6.301 0.884 3.161 1.00 0.36 C ATOM 568 C ASN A 35 5.795 -0.390 2.501 1.00 0.34 C ATOM 569 O ASN A 35 6.514 -1.032 1.738 1.00 0.38 O ATOM 570 CB ASN A 35 6.532 1.956 2.094 1.00 0.36 C ATOM 571 CG ASN A 35 5.225 2.515 1.559 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.633 3.423 2.152 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.773 1.994 0.428 1.00 0.35 N ATOM 0 H ASN A 35 8.083 -0.145 3.559 1.00 0.37 H new ATOM 0 HA ASN A 35 5.550 1.247 3.863 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.127 2.766 2.516 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.109 1.532 1.272 1.00 0.36 H new ATOM 0 HD21 ASN A 35 3.907 2.342 0.017 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.291 1.245 -0.031 1.00 0.35 H new ATOM 580 N THR A 36 4.561 -0.754 2.806 1.00 0.32 N ATOM 581 CA THR A 36 3.949 -1.943 2.234 1.00 0.30 C ATOM 582 C THR A 36 3.231 -1.614 0.925 1.00 0.26 C ATOM 583 O THR A 36 2.289 -0.812 0.902 1.00 0.28 O ATOM 584 CB THR A 36 2.943 -2.561 3.224 1.00 0.36 C ATOM 585 OG1 THR A 36 3.556 -2.697 4.514 1.00 0.45 O ATOM 586 CG2 THR A 36 2.459 -3.923 2.736 1.00 0.37 C ATOM 0 H THR A 36 3.960 -0.240 3.450 1.00 0.32 H new ATOM 0 HA THR A 36 4.745 -2.659 2.030 1.00 0.30 H new ATOM 0 HB THR A 36 2.081 -1.898 3.295 1.00 0.36 H new ATOM 0 HG1 THR A 36 3.909 -3.606 4.614 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.750 -4.336 3.454 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.971 -3.810 1.768 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.310 -4.597 2.637 1.00 0.37 H new ATOM 594 N PHE A 37 3.695 -2.214 -0.163 1.00 0.21 N ATOM 595 CA PHE A 37 3.051 -2.051 -1.459 1.00 0.18 C ATOM 596 C PHE A 37 2.141 -3.233 -1.749 1.00 0.18 C ATOM 597 O PHE A 37 2.315 -4.318 -1.196 1.00 0.21 O ATOM 598 CB PHE A 37 4.084 -1.923 -2.578 1.00 0.17 C ATOM 599 CG PHE A 37 4.954 -0.705 -2.482 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.129 -0.743 -1.751 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.615 0.470 -3.141 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.950 0.362 -1.680 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.434 1.578 -3.067 1.00 0.20 C ATOM 604 CZ PHE A 37 6.602 1.520 -2.339 1.00 0.20 C ATOM 0 H PHE A 37 4.516 -2.819 -0.174 1.00 0.21 H new ATOM 0 HA PHE A 37 2.461 -1.135 -1.421 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.719 -2.809 -2.573 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.564 -1.909 -3.536 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.405 -1.648 -1.231 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.702 0.517 -3.716 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.865 0.320 -1.108 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.160 2.489 -3.579 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.246 2.385 -2.285 1.00 0.20 H new ATOM 614 N ILE A 38 1.179 -3.009 -2.621 1.00 0.18 N ATOM 615 CA ILE A 38 0.221 -4.025 -3.006 1.00 0.17 C ATOM 616 C ILE A 38 0.377 -4.346 -4.486 1.00 0.17 C ATOM 617 O ILE A 38 0.186 -3.476 -5.340 1.00 0.18 O ATOM 618 CB ILE A 38 -1.225 -3.543 -2.751 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.375 -3.046 -1.309 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.220 -4.660 -3.044 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.630 -2.235 -1.072 1.00 0.22 C ATOM 0 H ILE A 38 1.039 -2.112 -3.085 1.00 0.18 H new ATOM 0 HA ILE A 38 0.412 -4.915 -2.406 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.438 -2.712 -3.424 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.375 -3.904 -0.637 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.507 -2.439 -1.051 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.233 -4.303 -2.859 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.128 -4.965 -4.086 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.012 -5.512 -2.397 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.667 -1.918 -0.030 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.623 -1.357 -1.718 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.505 -2.845 -1.297 1.00 0.22 H new ATOM 633 N TYR A 39 0.747 -5.580 -4.784 1.00 0.16 N ATOM 634 CA TYR A 39 0.792 -6.041 -6.157 1.00 0.17 C ATOM 635 C TYR A 39 -0.614 -6.394 -6.611 1.00 0.18 C ATOM 636 O TYR A 39 -1.114 -7.491 -6.343 1.00 0.18 O ATOM 637 CB TYR A 39 1.719 -7.248 -6.317 1.00 0.20 C ATOM 638 CG TYR A 39 1.678 -7.852 -7.705 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.237 -7.185 -8.789 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.098 -9.093 -7.925 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.219 -7.738 -10.053 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.075 -9.651 -9.188 1.00 0.34 C ATOM 643 CZ TYR A 39 1.569 -8.947 -10.256 1.00 0.35 C ATOM 644 OH TYR A 39 1.622 -9.526 -11.508 1.00 0.40 O ATOM 0 H TYR A 39 1.020 -6.278 -4.093 1.00 0.16 H new ATOM 0 HA TYR A 39 1.192 -5.239 -6.778 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.741 -6.946 -6.090 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.442 -8.010 -5.588 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.693 -6.218 -8.639 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.659 -9.630 -7.097 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.706 -7.235 -10.876 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.668 -10.641 -9.334 1.00 0.34 H new ATOM 0 HH TYR A 39 1.123 -10.369 -11.500 1.00 0.40 H new ATOM 654 N SER A 40 -1.246 -5.446 -7.273 1.00 0.23 N ATOM 655 CA SER A 40 -2.619 -5.587 -7.713 1.00 0.26 C ATOM 656 C SER A 40 -3.001 -4.339 -8.503 1.00 0.29 C ATOM 657 O SER A 40 -2.143 -3.507 -8.819 1.00 0.50 O ATOM 658 CB SER A 40 -3.550 -5.776 -6.495 1.00 0.25 C ATOM 659 OG SER A 40 -4.857 -6.169 -6.889 1.00 0.93 O ATOM 0 H SER A 40 -0.820 -4.553 -7.522 1.00 0.23 H new ATOM 0 HA SER A 40 -2.724 -6.466 -8.349 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.129 -6.529 -5.828 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.604 -4.845 -5.931 1.00 0.25 H new ATOM 0 HG SER A 40 -5.419 -6.281 -6.094 1.00 0.93 H new ATOM 665 N ARG A 41 -4.266 -4.218 -8.853 1.00 0.25 N ATOM 666 CA ARG A 41 -4.763 -3.014 -9.485 1.00 0.27 C ATOM 667 C ARG A 41 -5.457 -2.147 -8.460 1.00 0.22 C ATOM 668 O ARG A 41 -5.792 -2.593 -7.365 1.00 0.23 O ATOM 669 CB ARG A 41 -5.717 -3.342 -10.630 1.00 0.33 C ATOM 670 CG ARG A 41 -5.111 -4.166 -11.728 1.00 0.54 C ATOM 671 CD ARG A 41 -4.103 -3.364 -12.500 1.00 1.08 C ATOM 672 NE ARG A 41 -2.878 -3.111 -11.740 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.864 -2.374 -12.189 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.870 -1.918 -13.434 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.826 -2.119 -11.402 1.00 2.66 N ATOM 0 H ARG A 41 -4.970 -4.942 -8.709 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.914 -2.472 -9.902 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.579 -3.874 -10.227 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.088 -2.410 -11.055 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.633 -5.049 -11.305 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.894 -4.518 -12.399 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.852 -3.893 -13.420 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -4.548 -2.412 -12.791 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.796 -3.524 -10.811 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.653 -2.131 -14.052 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.091 -1.354 -13.774 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.804 -2.488 -10.451 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.050 -1.554 -11.748 1.00 2.66 H new ATOM 689 N PRO A 42 -5.687 -0.901 -8.827 1.00 0.22 N ATOM 690 CA PRO A 42 -6.333 0.071 -7.970 1.00 0.21 C ATOM 691 C PRO A 42 -7.796 -0.244 -7.829 1.00 0.20 C ATOM 692 O PRO A 42 -8.375 -0.124 -6.756 1.00 0.23 O ATOM 693 CB PRO A 42 -6.165 1.402 -8.704 1.00 0.24 C ATOM 694 CG PRO A 42 -5.326 1.119 -9.908 1.00 0.25 C ATOM 695 CD PRO A 42 -5.357 -0.363 -10.135 1.00 0.30 C ATOM 0 HA PRO A 42 -5.905 0.082 -6.967 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -7.133 1.811 -8.993 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.686 2.141 -8.062 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -5.712 1.649 -10.779 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.303 1.463 -9.753 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -6.102 -0.639 -10.882 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -4.396 -0.735 -10.491 1.00 0.30 H new ATOM 703 N GLU A 43 -8.370 -0.702 -8.921 1.00 0.21 N ATOM 704 CA GLU A 43 -9.797 -0.890 -8.993 1.00 0.25 C ATOM 705 C GLU A 43 -10.286 -1.984 -8.030 1.00 0.23 C ATOM 706 O GLU A 43 -11.206 -1.750 -7.251 1.00 0.24 O ATOM 707 CB GLU A 43 -10.212 -1.188 -10.428 1.00 0.36 C ATOM 708 CG GLU A 43 -10.115 0.024 -11.339 1.00 0.48 C ATOM 709 CD GLU A 43 -10.937 1.202 -10.847 1.00 1.60 C ATOM 710 OE1 GLU A 43 -10.427 1.981 -10.012 1.00 2.36 O ATOM 711 OE2 GLU A 43 -12.097 1.347 -11.283 1.00 1.99 O ATOM 0 H GLU A 43 -7.866 -0.951 -9.772 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.274 0.037 -8.676 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.582 -1.985 -10.824 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.237 -1.559 -10.434 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -9.071 0.326 -11.423 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.448 -0.252 -12.339 1.00 0.48 H new ATOM 718 N PRO A 44 -9.682 -3.193 -8.060 1.00 0.24 N ATOM 719 CA PRO A 44 -10.029 -4.281 -7.132 1.00 0.26 C ATOM 720 C PRO A 44 -9.755 -3.925 -5.668 1.00 0.24 C ATOM 721 O PRO A 44 -10.360 -4.499 -4.762 1.00 0.27 O ATOM 722 CB PRO A 44 -9.131 -5.441 -7.576 1.00 0.30 C ATOM 723 CG PRO A 44 -8.034 -4.807 -8.352 1.00 0.36 C ATOM 724 CD PRO A 44 -8.649 -3.612 -9.013 1.00 0.27 C ATOM 0 HA PRO A 44 -11.094 -4.510 -7.170 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.741 -5.988 -6.718 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.683 -6.156 -8.186 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.211 -4.514 -7.700 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.626 -5.497 -9.090 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.915 -2.824 -9.183 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -9.076 -3.865 -9.984 1.00 0.27 H new ATOM 732 N VAL A 45 -8.861 -2.968 -5.439 1.00 0.20 N ATOM 733 CA VAL A 45 -8.555 -2.527 -4.080 1.00 0.19 C ATOM 734 C VAL A 45 -9.523 -1.421 -3.670 1.00 0.17 C ATOM 735 O VAL A 45 -9.927 -1.312 -2.512 1.00 0.18 O ATOM 736 CB VAL A 45 -7.092 -2.033 -3.955 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.831 -1.442 -2.577 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.123 -3.172 -4.233 1.00 0.23 C ATOM 0 H VAL A 45 -8.339 -2.485 -6.170 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.671 -3.380 -3.412 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.935 -1.249 -4.696 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.797 -1.103 -2.516 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.500 -0.598 -2.411 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -7.009 -2.201 -1.816 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -5.099 -2.809 -4.141 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.289 -3.975 -3.515 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.285 -3.549 -5.243 1.00 0.23 H new ATOM 748 N LYS A 46 -9.917 -0.624 -4.646 1.00 0.15 N ATOM 749 CA LYS A 46 -10.949 0.381 -4.462 1.00 0.15 C ATOM 750 C LYS A 46 -12.292 -0.309 -4.230 1.00 0.17 C ATOM 751 O LYS A 46 -13.175 0.217 -3.551 1.00 0.20 O ATOM 752 CB LYS A 46 -11.016 1.259 -5.707 1.00 0.17 C ATOM 753 CG LYS A 46 -11.865 2.507 -5.567 1.00 0.20 C ATOM 754 CD LYS A 46 -11.877 3.268 -6.877 1.00 0.27 C ATOM 755 CE LYS A 46 -12.644 4.572 -6.782 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.705 5.251 -8.103 1.00 1.36 N ATOM 0 H LYS A 46 -9.531 -0.655 -5.589 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.717 1.002 -3.597 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -10.003 1.556 -5.979 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.406 0.663 -6.532 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.882 2.236 -5.284 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.470 3.139 -4.772 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.851 3.475 -7.183 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.322 2.644 -7.652 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.654 4.378 -6.421 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.166 5.227 -6.054 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.235 6.141 -8.012 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.740 5.455 -8.433 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.182 4.633 -8.789 1.00 1.36 H new ATOM 770 N ALA A 47 -12.422 -1.504 -4.806 1.00 0.18 N ATOM 771 CA ALA A 47 -13.622 -2.319 -4.662 1.00 0.22 C ATOM 772 C ALA A 47 -13.741 -2.886 -3.253 1.00 0.22 C ATOM 773 O ALA A 47 -14.806 -3.362 -2.855 1.00 0.27 O ATOM 774 CB ALA A 47 -13.632 -3.447 -5.686 1.00 0.26 C ATOM 0 H ALA A 47 -11.698 -1.931 -5.384 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.482 -1.674 -4.841 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.536 -4.043 -5.562 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.611 -3.026 -6.691 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.757 -4.080 -5.539 1.00 0.26 H new ATOM 780 N ILE A 48 -12.648 -2.839 -2.499 1.00 0.20 N ATOM 781 CA ILE A 48 -12.679 -3.223 -1.097 1.00 0.21 C ATOM 782 C ILE A 48 -13.484 -2.192 -0.315 1.00 0.21 C ATOM 783 O ILE A 48 -14.223 -2.523 0.612 1.00 0.23 O ATOM 784 CB ILE A 48 -11.258 -3.333 -0.503 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.406 -4.273 -1.361 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.320 -3.833 0.934 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.953 -4.329 -0.947 1.00 0.21 C ATOM 0 H ILE A 48 -11.733 -2.539 -2.836 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.146 -4.205 -1.022 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.799 -2.345 -0.502 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.827 -5.277 -1.311 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.466 -3.954 -2.402 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.310 -3.905 1.338 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.903 -3.137 1.537 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.791 -4.816 0.957 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.415 -5.015 -1.601 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.514 -3.334 -1.024 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.881 -4.678 0.083 1.00 0.21 H new ATOM 799 N CYS A 49 -13.377 -0.942 -0.746 1.00 0.20 N ATOM 800 CA CYS A 49 -14.074 0.151 -0.095 1.00 0.21 C ATOM 801 C CYS A 49 -15.359 0.485 -0.838 1.00 0.25 C ATOM 802 O CYS A 49 -16.045 1.458 -0.519 1.00 0.25 O ATOM 803 CB CYS A 49 -13.158 1.370 -0.031 1.00 0.19 C ATOM 804 SG CYS A 49 -11.645 1.066 0.923 1.00 0.18 S ATOM 0 H CYS A 49 -12.811 -0.663 -1.547 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.341 -0.149 0.918 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.889 1.670 -1.044 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.701 2.204 0.414 1.00 0.19 H new ATOM 809 N LYS A 50 -15.686 -0.341 -1.822 1.00 0.32 N ATOM 810 CA LYS A 50 -16.895 -0.161 -2.609 1.00 0.40 C ATOM 811 C LYS A 50 -18.126 -0.249 -1.718 1.00 0.39 C ATOM 812 O LYS A 50 -18.358 -1.265 -1.058 1.00 0.47 O ATOM 813 CB LYS A 50 -16.963 -1.211 -3.723 1.00 0.54 C ATOM 814 CG LYS A 50 -18.161 -1.065 -4.649 1.00 0.68 C ATOM 815 CD LYS A 50 -18.183 -2.158 -5.709 1.00 0.92 C ATOM 816 CE LYS A 50 -18.285 -3.541 -5.083 1.00 1.58 C ATOM 817 NZ LYS A 50 -18.309 -4.618 -6.107 1.00 2.33 N ATOM 0 H LYS A 50 -15.125 -1.148 -2.095 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.870 0.829 -3.065 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.051 -1.153 -4.317 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -16.987 -2.202 -3.271 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.081 -1.104 -4.065 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.132 -0.088 -5.132 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.027 -1.998 -6.380 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.279 -2.097 -6.314 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -17.440 -3.698 -4.412 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -19.189 -3.598 -4.476 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -18.379 -5.543 -5.637 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.129 -4.484 -6.732 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -17.435 -4.581 -6.670 1.00 2.33 H new ATOM 831 N GLY A 51 -18.890 0.831 -1.683 1.00 0.36 N ATOM 832 CA GLY A 51 -20.097 0.865 -0.887 1.00 0.38 C ATOM 833 C GLY A 51 -19.870 1.456 0.490 1.00 0.37 C ATOM 834 O GLY A 51 -20.809 1.591 1.277 1.00 0.44 O ATOM 0 H GLY A 51 -18.693 1.690 -2.196 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.855 1.449 -1.408 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.489 -0.147 -0.784 1.00 0.38 H new ATOM 838 N ILE A 52 -18.625 1.811 0.789 1.00 0.31 N ATOM 839 CA ILE A 52 -18.287 2.362 2.095 1.00 0.29 C ATOM 840 C ILE A 52 -18.073 3.869 1.999 1.00 0.29 C ATOM 841 O ILE A 52 -16.978 4.330 1.680 1.00 0.27 O ATOM 842 CB ILE A 52 -17.008 1.715 2.672 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.031 0.191 2.492 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.854 2.077 4.143 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.212 -0.493 3.149 1.00 0.33 C ATOM 0 H ILE A 52 -17.837 1.727 0.147 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.123 2.145 2.760 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.151 2.104 2.123 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.039 -0.038 1.426 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.110 -0.226 2.900 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.949 1.615 4.539 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.784 3.160 4.246 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.719 1.715 4.699 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.153 -1.567 2.975 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.195 -0.298 4.221 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.139 -0.107 2.724 1.00 0.33 H new ATOM 857 N ILE A 53 -19.123 4.630 2.258 1.00 0.33 N ATOM 858 CA ILE A 53 -19.053 6.080 2.195 1.00 0.35 C ATOM 859 C ILE A 53 -18.512 6.642 3.504 1.00 0.34 C ATOM 860 O ILE A 53 -17.590 7.463 3.503 1.00 0.35 O ATOM 861 CB ILE A 53 -20.438 6.700 1.884 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.836 6.453 0.421 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.441 8.196 2.176 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.960 4.996 0.027 1.00 0.55 C ATOM 0 H ILE A 53 -20.040 4.265 2.516 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.374 6.344 1.384 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.169 6.215 2.531 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.789 6.947 0.231 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.097 6.927 -0.225 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.424 8.609 1.950 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.211 8.362 3.229 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.690 8.689 1.559 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.244 4.926 -1.023 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.004 4.496 0.178 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.722 4.516 0.642 1.00 0.55 H new ATOM 876 N ALA A 54 -19.076 6.183 4.612 1.00 0.37 N ATOM 877 CA ALA A 54 -18.639 6.622 5.928 1.00 0.38 C ATOM 878 C ALA A 54 -17.258 6.069 6.237 1.00 0.33 C ATOM 879 O ALA A 54 -16.987 4.892 5.987 1.00 0.32 O ATOM 880 CB ALA A 54 -19.636 6.200 6.992 1.00 0.46 C ATOM 0 H ALA A 54 -19.838 5.506 4.625 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.583 7.711 5.929 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.290 6.538 7.969 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.608 6.645 6.777 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.727 5.114 6.995 1.00 0.46 H new ATOM 886 N SER A 55 -16.394 6.934 6.755 1.00 0.34 N ATOM 887 CA SER A 55 -15.016 6.593 7.070 1.00 0.34 C ATOM 888 C SER A 55 -14.939 5.336 7.937 1.00 0.32 C ATOM 889 O SER A 55 -15.264 5.371 9.128 1.00 0.36 O ATOM 890 CB SER A 55 -14.386 7.775 7.793 1.00 0.41 C ATOM 891 OG SER A 55 -14.910 8.999 7.306 1.00 1.42 O ATOM 0 H SER A 55 -16.635 7.902 6.970 1.00 0.34 H new ATOM 0 HA SER A 55 -14.476 6.382 6.147 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.573 7.694 8.864 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.305 7.757 7.656 1.00 0.41 H new ATOM 0 HG SER A 55 -14.173 9.594 7.056 1.00 1.42 H new ATOM 897 N LYS A 56 -14.525 4.230 7.340 1.00 0.30 N ATOM 898 CA LYS A 56 -14.527 2.949 8.030 1.00 0.31 C ATOM 899 C LYS A 56 -13.256 2.159 7.735 1.00 0.29 C ATOM 900 O LYS A 56 -12.900 1.953 6.576 1.00 0.27 O ATOM 901 CB LYS A 56 -15.758 2.143 7.599 1.00 0.34 C ATOM 902 CG LYS A 56 -15.890 0.782 8.262 1.00 0.40 C ATOM 903 CD LYS A 56 -17.037 -0.010 7.653 1.00 0.51 C ATOM 904 CE LYS A 56 -17.175 -1.391 8.280 1.00 0.94 C ATOM 905 NZ LYS A 56 -17.583 -1.318 9.707 1.00 1.71 N ATOM 0 H LYS A 56 -14.183 4.193 6.380 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.563 3.134 9.104 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.652 2.727 7.817 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.724 2.004 6.518 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -14.959 0.226 8.149 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.058 0.909 9.331 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -17.968 0.542 7.784 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -16.876 -0.114 6.580 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.911 -1.970 7.722 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -16.226 -1.921 8.201 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -17.796 -2.274 10.056 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -16.809 -0.909 10.269 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.429 -0.720 9.796 1.00 1.71 H new ATOM 919 N ASN A 57 -12.567 1.740 8.787 1.00 0.36 N ATOM 920 CA ASN A 57 -11.430 0.838 8.644 1.00 0.37 C ATOM 921 C ASN A 57 -11.931 -0.561 8.330 1.00 0.33 C ATOM 922 O ASN A 57 -12.560 -1.199 9.175 1.00 0.41 O ATOM 923 CB ASN A 57 -10.598 0.783 9.932 1.00 0.50 C ATOM 924 CG ASN A 57 -9.886 2.081 10.260 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.493 2.842 9.372 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.712 2.338 11.546 1.00 1.13 N ATOM 0 H ASN A 57 -12.774 2.009 9.749 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.802 1.213 7.835 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.251 0.518 10.764 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -9.859 -0.013 9.841 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.237 3.193 11.836 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.053 1.681 12.248 1.00 1.13 H new ATOM 933 N VAL A 58 -11.678 -1.039 7.124 1.00 0.28 N ATOM 934 CA VAL A 58 -12.143 -2.361 6.740 1.00 0.27 C ATOM 935 C VAL A 58 -10.970 -3.311 6.527 1.00 0.25 C ATOM 936 O VAL A 58 -9.951 -2.950 5.937 1.00 0.25 O ATOM 937 CB VAL A 58 -13.030 -2.327 5.470 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.104 -1.257 5.583 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.201 -2.129 4.213 1.00 0.57 C ATOM 0 H VAL A 58 -11.160 -0.539 6.402 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.756 -2.727 7.564 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.522 -3.297 5.391 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.712 -1.255 4.678 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.737 -1.467 6.445 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.634 -0.281 5.707 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -12.858 -2.110 3.343 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.660 -1.185 4.279 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.490 -2.949 4.113 1.00 0.57 H new ATOM 949 N LEU A 59 -11.109 -4.517 7.044 1.00 0.28 N ATOM 950 CA LEU A 59 -10.108 -5.548 6.866 1.00 0.26 C ATOM 951 C LEU A 59 -10.532 -6.445 5.711 1.00 0.26 C ATOM 952 O LEU A 59 -11.694 -6.843 5.624 1.00 0.30 O ATOM 953 CB LEU A 59 -9.957 -6.332 8.175 1.00 0.30 C ATOM 954 CG LEU A 59 -8.772 -7.295 8.276 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.115 -8.652 7.699 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.554 -6.713 7.589 1.00 0.67 C ATOM 0 H LEU A 59 -11.916 -4.807 7.597 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.137 -5.115 6.623 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -9.881 -5.615 8.992 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.872 -6.903 8.335 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.541 -7.432 9.332 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.253 -9.313 7.786 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.955 -9.078 8.247 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.384 -8.543 6.648 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.721 -7.412 7.671 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.779 -6.538 6.537 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.284 -5.770 8.064 1.00 0.67 H new ATOM 968 N THR A 60 -9.595 -6.752 4.828 1.00 0.22 N ATOM 969 CA THR A 60 -9.917 -7.451 3.594 1.00 0.22 C ATOM 970 C THR A 60 -10.310 -8.903 3.841 1.00 0.24 C ATOM 971 O THR A 60 -9.876 -9.533 4.805 1.00 0.33 O ATOM 972 CB THR A 60 -8.750 -7.397 2.589 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.544 -7.884 3.190 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.534 -5.978 2.091 1.00 0.24 C ATOM 0 H THR A 60 -8.606 -6.528 4.943 1.00 0.22 H new ATOM 0 HA THR A 60 -10.775 -6.931 3.168 1.00 0.22 H new ATOM 0 HB THR A 60 -9.008 -8.033 1.742 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.268 -8.712 2.744 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.706 -5.963 1.383 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.439 -5.624 1.598 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.302 -5.328 2.934 1.00 0.24 H new ATOM 982 N THR A 61 -11.143 -9.419 2.958 1.00 0.27 N ATOM 983 CA THR A 61 -11.629 -10.780 3.051 1.00 0.33 C ATOM 984 C THR A 61 -10.587 -11.771 2.547 1.00 0.33 C ATOM 985 O THR A 61 -10.565 -12.936 2.943 1.00 0.43 O ATOM 986 CB THR A 61 -12.916 -10.912 2.230 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.725 -10.290 0.951 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.076 -10.247 2.953 1.00 0.46 C ATOM 0 H THR A 61 -11.502 -8.904 2.154 1.00 0.27 H new ATOM 0 HA THR A 61 -11.831 -11.009 4.097 1.00 0.33 H new ATOM 0 HB THR A 61 -13.148 -11.969 2.097 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.545 -10.373 0.421 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.983 -10.349 2.357 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.223 -10.724 3.922 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.855 -9.190 3.099 1.00 0.46 H new ATOM 996 N SER A 62 -9.697 -11.277 1.703 1.00 0.28 N ATOM 997 CA SER A 62 -8.705 -12.110 1.050 1.00 0.31 C ATOM 998 C SER A 62 -7.309 -11.560 1.308 1.00 0.26 C ATOM 999 O SER A 62 -7.159 -10.394 1.690 1.00 0.24 O ATOM 1000 CB SER A 62 -8.971 -12.142 -0.457 1.00 0.41 C ATOM 1001 OG SER A 62 -10.337 -12.404 -0.738 1.00 1.09 O ATOM 0 H SER A 62 -9.643 -10.290 1.453 1.00 0.28 H new ATOM 0 HA SER A 62 -8.771 -13.121 1.453 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.684 -11.188 -0.899 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.349 -12.908 -0.921 1.00 0.41 H new ATOM 0 HG SER A 62 -10.475 -12.416 -1.708 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.295 -12.394 1.118 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.919 -11.940 1.209 1.00 0.23 C ATOM 1009 C GLU A 63 -4.468 -11.428 -0.151 1.00 0.24 C ATOM 1010 O GLU A 63 -4.864 -11.967 -1.189 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.970 -13.058 1.671 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.424 -13.818 2.913 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.642 -14.690 2.675 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.773 -15.237 1.564 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.459 -14.850 3.604 1.00 2.06 O ATOM 0 H GLU A 63 -6.402 -13.385 0.901 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.880 -11.143 1.952 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.846 -13.769 0.854 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.990 -12.624 1.868 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.604 -14.442 3.268 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.647 -13.104 3.705 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.660 -10.388 -0.146 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.145 -9.814 -1.379 1.00 0.17 C ATOM 1024 C PHE A 64 -1.636 -9.966 -1.431 1.00 0.16 C ATOM 1025 O PHE A 64 -1.000 -10.258 -0.416 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.530 -8.339 -1.486 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.998 -8.115 -1.724 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.908 -8.184 -0.678 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.470 -7.837 -2.996 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.256 -7.981 -0.899 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.818 -7.633 -3.222 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.712 -7.706 -2.172 1.00 0.28 C ATOM 0 H PHE A 64 -3.342 -9.918 0.702 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.585 -10.347 -2.222 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.237 -7.828 -0.569 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.965 -7.883 -2.299 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.558 -8.399 0.321 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.776 -7.779 -3.821 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -7.953 -8.037 -0.076 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.172 -7.417 -4.219 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.766 -7.548 -2.347 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.064 -9.765 -2.606 1.00 0.17 N ATOM 1043 CA TYR A 65 0.369 -9.932 -2.778 1.00 0.16 C ATOM 1044 C TYR A 65 1.088 -8.647 -2.421 1.00 0.16 C ATOM 1045 O TYR A 65 1.138 -7.708 -3.205 1.00 0.18 O ATOM 1046 CB TYR A 65 0.696 -10.366 -4.204 1.00 0.20 C ATOM 1047 CG TYR A 65 0.105 -11.710 -4.548 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.696 -12.884 -4.106 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.037 -11.801 -5.331 1.00 0.40 C ATOM 1050 CE1 TYR A 65 0.162 -14.116 -4.435 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.576 -13.025 -5.665 1.00 0.51 C ATOM 1052 CZ TYR A 65 -0.995 -14.188 -5.145 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.509 -15.404 -5.549 1.00 0.66 O ATOM 0 H TYR A 65 -1.566 -9.488 -3.450 1.00 0.17 H new ATOM 0 HA TYR A 65 0.713 -10.718 -2.106 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.321 -9.618 -4.903 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.778 -10.406 -4.329 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.586 -12.835 -3.496 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.512 -10.898 -5.685 1.00 0.40 H new ATOM 0 HE1 TYR A 65 0.664 -15.021 -4.128 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.434 -13.086 -6.318 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.342 -15.259 -6.044 1.00 0.66 H new ATOM 1063 N LEU A 66 1.635 -8.617 -1.226 1.00 0.15 N ATOM 1064 CA LEU A 66 2.227 -7.411 -0.687 1.00 0.16 C ATOM 1065 C LEU A 66 3.741 -7.448 -0.806 1.00 0.16 C ATOM 1066 O LEU A 66 4.350 -8.524 -0.818 1.00 0.20 O ATOM 1067 CB LEU A 66 1.826 -7.251 0.776 1.00 0.18 C ATOM 1068 CG LEU A 66 0.323 -7.311 1.032 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.033 -7.238 2.518 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.390 -6.192 0.293 1.00 0.19 C ATOM 0 H LEU A 66 1.682 -9.423 -0.603 1.00 0.15 H new ATOM 0 HA LEU A 66 1.860 -6.561 -1.262 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.312 -8.032 1.360 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.206 -6.297 1.141 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.051 -8.263 0.656 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.044 -7.282 2.681 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.511 -8.077 3.024 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.423 -6.302 2.919 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.461 -6.252 0.488 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.011 -5.230 0.637 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.210 -6.291 -0.778 1.00 0.19 H new ATOM 1082 N SER A 67 4.337 -6.277 -0.916 1.00 0.17 N ATOM 1083 CA SER A 67 5.775 -6.146 -0.895 1.00 0.18 C ATOM 1084 C SER A 67 6.171 -5.100 0.135 1.00 0.22 C ATOM 1085 O SER A 67 5.905 -3.907 -0.034 1.00 0.26 O ATOM 1086 CB SER A 67 6.289 -5.760 -2.285 1.00 0.22 C ATOM 1087 OG SER A 67 5.940 -6.743 -3.249 1.00 0.29 O ATOM 0 H SER A 67 3.837 -5.394 -1.022 1.00 0.17 H new ATOM 0 HA SER A 67 6.224 -7.100 -0.620 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.872 -4.796 -2.576 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.372 -5.643 -2.256 1.00 0.22 H new ATOM 0 HG SER A 67 6.674 -6.848 -3.890 1.00 0.29 H new ATOM 1093 N ASP A 68 6.777 -5.562 1.215 1.00 0.26 N ATOM 1094 CA ASP A 68 7.194 -4.690 2.297 1.00 0.34 C ATOM 1095 C ASP A 68 8.603 -4.195 2.051 1.00 0.29 C ATOM 1096 O ASP A 68 9.557 -4.975 2.063 1.00 0.34 O ATOM 1097 CB ASP A 68 7.144 -5.413 3.649 1.00 0.46 C ATOM 1098 CG ASP A 68 5.742 -5.776 4.097 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.030 -4.885 4.612 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.358 -6.963 3.972 1.00 2.01 O ATOM 0 H ASP A 68 6.993 -6.548 1.365 1.00 0.26 H new ATOM 0 HA ASP A 68 6.503 -3.847 2.327 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.742 -6.322 3.587 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.605 -4.779 4.407 1.00 0.46 H new ATOM 1105 N CYS A 69 8.730 -2.911 1.798 1.00 0.28 N ATOM 1106 CA CYS A 69 10.038 -2.301 1.672 1.00 0.26 C ATOM 1107 C CYS A 69 10.484 -1.797 3.033 1.00 0.30 C ATOM 1108 O CYS A 69 9.833 -0.938 3.619 1.00 0.35 O ATOM 1109 CB CYS A 69 9.979 -1.147 0.674 1.00 0.25 C ATOM 1110 SG CYS A 69 9.538 -1.656 -1.016 1.00 0.62 S ATOM 0 H CYS A 69 7.947 -2.269 1.676 1.00 0.28 H new ATOM 0 HA CYS A 69 10.754 -3.038 1.308 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.252 -0.414 1.024 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.948 -0.649 0.652 1.00 0.25 H new ATOM 1115 N ASN A 70 11.590 -2.327 3.535 1.00 0.35 N ATOM 1116 CA ASN A 70 12.069 -1.956 4.863 1.00 0.42 C ATOM 1117 C ASN A 70 13.484 -1.430 4.783 1.00 0.44 C ATOM 1118 O ASN A 70 14.325 -1.993 4.077 1.00 0.49 O ATOM 1119 CB ASN A 70 12.034 -3.148 5.829 1.00 0.51 C ATOM 1120 CG ASN A 70 10.715 -3.900 5.820 1.00 0.97 C ATOM 1121 OD1 ASN A 70 10.558 -4.886 5.098 1.00 1.93 O ATOM 1122 ND2 ASN A 70 9.768 -3.451 6.628 1.00 1.08 N ATOM 0 H ASN A 70 12.170 -3.010 3.049 1.00 0.35 H new ATOM 0 HA ASN A 70 11.404 -1.180 5.242 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.838 -3.838 5.571 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.232 -2.792 6.840 1.00 0.51 H new ATOM 0 HD21 ASN A 70 8.866 -3.925 6.670 1.00 1.08 H new ATOM 0 HD22 ASN A 70 9.940 -2.631 7.209 1.00 1.08 H new ATOM 1129 N VAL A 71 13.739 -0.346 5.500 1.00 0.47 N ATOM 1130 CA VAL A 71 15.062 0.245 5.547 1.00 0.51 C ATOM 1131 C VAL A 71 16.037 -0.696 6.232 1.00 0.56 C ATOM 1132 O VAL A 71 15.701 -1.377 7.205 1.00 0.60 O ATOM 1133 CB VAL A 71 15.035 1.624 6.249 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.815 1.492 7.749 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.302 2.412 5.953 1.00 0.82 C ATOM 0 H VAL A 71 13.040 0.143 6.060 1.00 0.47 H new ATOM 0 HA VAL A 71 15.400 0.405 4.523 1.00 0.51 H new ATOM 0 HB VAL A 71 14.187 2.176 5.844 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.803 2.483 8.204 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.862 0.996 7.935 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.622 0.903 8.185 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.257 3.377 6.458 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.168 1.855 6.310 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.390 2.569 4.878 1.00 0.82 H new ATOM 1145 N THR A 72 17.229 -0.763 5.681 1.00 0.58 N ATOM 1146 CA THR A 72 18.248 -1.659 6.173 1.00 0.64 C ATOM 1147 C THR A 72 19.173 -0.929 7.137 1.00 0.75 C ATOM 1148 O THR A 72 18.737 -0.078 7.914 1.00 0.93 O ATOM 1149 CB THR A 72 19.068 -2.225 4.998 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.604 -1.147 4.217 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.209 -3.113 4.113 1.00 0.78 C ATOM 0 H THR A 72 17.517 -0.199 4.882 1.00 0.58 H new ATOM 0 HA THR A 72 17.762 -2.480 6.700 1.00 0.64 H new ATOM 0 HB THR A 72 19.881 -2.825 5.407 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.879 -0.707 3.726 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.812 -3.500 3.291 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.820 -3.945 4.700 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.378 -2.532 3.712 1.00 0.78 H new ATOM 1159 N SER A 73 20.447 -1.266 7.075 1.00 0.86 N ATOM 1160 CA SER A 73 21.453 -0.603 7.878 1.00 1.02 C ATOM 1161 C SER A 73 21.935 0.657 7.167 1.00 0.90 C ATOM 1162 O SER A 73 22.669 1.469 7.730 1.00 0.99 O ATOM 1163 CB SER A 73 22.616 -1.561 8.146 1.00 1.33 C ATOM 1164 OG SER A 73 22.989 -2.250 6.962 1.00 1.87 O ATOM 0 H SER A 73 20.811 -2.002 6.470 1.00 0.86 H new ATOM 0 HA SER A 73 21.021 -0.311 8.835 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.470 -1.004 8.531 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.331 -2.279 8.915 1.00 1.33 H new ATOM 0 HG SER A 73 23.735 -2.855 7.157 1.00 1.87 H new ATOM 1170 N ARG A 74 21.506 0.810 5.918 1.00 0.81 N ATOM 1171 CA ARG A 74 21.820 1.995 5.140 1.00 0.76 C ATOM 1172 C ARG A 74 20.618 2.920 5.071 1.00 0.68 C ATOM 1173 O ARG A 74 19.474 2.471 5.019 1.00 0.63 O ATOM 1174 CB ARG A 74 22.275 1.620 3.733 1.00 0.88 C ATOM 1175 CG ARG A 74 23.643 0.974 3.697 1.00 1.40 C ATOM 1176 CD ARG A 74 24.071 0.660 2.273 1.00 1.55 C ATOM 1177 NE ARG A 74 25.228 -0.230 2.226 1.00 2.35 N ATOM 1178 CZ ARG A 74 26.035 -0.354 1.172 1.00 2.74 C ATOM 1179 NH1 ARG A 74 25.900 0.454 0.123 1.00 2.41 N ATOM 1180 NH2 ARG A 74 26.991 -1.272 1.173 1.00 3.76 N ATOM 0 H ARG A 74 20.937 0.122 5.424 1.00 0.81 H new ATOM 0 HA ARG A 74 22.638 2.517 5.638 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.547 0.938 3.293 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.288 2.516 3.112 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.373 1.638 4.160 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.629 0.056 4.285 1.00 1.40 H new ATOM 0 HD2 ARG A 74 23.240 0.200 1.739 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.308 1.589 1.754 1.00 1.55 H new ATOM 0 HE ARG A 74 25.432 -0.793 3.052 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.176 1.173 0.123 1.00 2.41 H new ATOM 0 HH12 ARG A 74 26.520 0.354 -0.681 1.00 2.41 H new ATOM 0 HH21 ARG A 74 27.110 -1.884 1.980 1.00 3.76 H new ATOM 0 HH22 ARG A 74 27.608 -1.367 0.366 1.00 3.76 H new ATOM 1194 N PRO A 75 20.873 4.225 5.060 1.00 0.74 N ATOM 1195 CA PRO A 75 19.824 5.233 5.082 1.00 0.74 C ATOM 1196 C PRO A 75 19.131 5.373 3.732 1.00 0.65 C ATOM 1197 O PRO A 75 19.777 5.583 2.701 1.00 0.70 O ATOM 1198 CB PRO A 75 20.561 6.515 5.454 1.00 0.92 C ATOM 1199 CG PRO A 75 21.978 6.301 5.036 1.00 1.05 C ATOM 1200 CD PRO A 75 22.218 4.813 5.005 1.00 0.92 C ATOM 0 HA PRO A 75 19.027 4.978 5.781 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.129 7.377 4.946 1.00 0.92 H new ATOM 0 HB3 PRO A 75 20.493 6.709 6.524 1.00 0.92 H new ATOM 0 HG2 PRO A 75 22.159 6.740 4.055 1.00 1.05 H new ATOM 0 HG3 PRO A 75 22.661 6.786 5.733 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.746 4.514 4.099 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.827 4.491 5.850 1.00 0.92 H new ATOM 1208 N CYS A 76 17.809 5.233 3.759 1.00 0.57 N ATOM 1209 CA CYS A 76 16.976 5.296 2.557 1.00 0.52 C ATOM 1210 C CYS A 76 17.365 4.185 1.568 1.00 0.51 C ATOM 1211 O CYS A 76 17.116 4.279 0.370 1.00 0.55 O ATOM 1212 CB CYS A 76 17.065 6.690 1.911 1.00 0.58 C ATOM 1213 SG CYS A 76 15.851 6.997 0.580 1.00 1.55 S ATOM 0 H CYS A 76 17.281 5.072 4.617 1.00 0.57 H new ATOM 0 HA CYS A 76 15.937 5.131 2.843 1.00 0.52 H new ATOM 0 HB2 CYS A 76 16.931 7.444 2.687 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.068 6.824 1.506 1.00 0.58 H new ATOM 1218 N LYS A 77 17.964 3.119 2.092 1.00 0.50 N ATOM 1219 CA LYS A 77 18.237 1.921 1.306 1.00 0.50 C ATOM 1220 C LYS A 77 17.471 0.746 1.892 1.00 0.47 C ATOM 1221 O LYS A 77 17.583 0.452 3.083 1.00 0.51 O ATOM 1222 CB LYS A 77 19.735 1.617 1.261 1.00 0.60 C ATOM 1223 CG LYS A 77 20.490 2.450 0.237 1.00 1.30 C ATOM 1224 CD LYS A 77 20.062 2.104 -1.183 1.00 1.57 C ATOM 1225 CE LYS A 77 20.813 2.931 -2.215 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.513 2.493 -3.608 1.00 2.60 N ATOM 0 H LYS A 77 18.271 3.061 3.063 1.00 0.50 H new ATOM 0 HA LYS A 77 17.907 2.093 0.282 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.163 1.792 2.248 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.877 0.560 1.035 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.312 3.509 0.425 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.561 2.282 0.347 1.00 1.30 H new ATOM 0 HD2 LYS A 77 20.238 1.044 -1.368 1.00 1.57 H new ATOM 0 HD3 LYS A 77 18.991 2.273 -1.291 1.00 1.57 H new ATOM 0 HE2 LYS A 77 20.547 3.982 -2.100 1.00 2.24 H new ATOM 0 HE3 LYS A 77 21.885 2.852 -2.033 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.166 2.962 -4.268 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 20.629 1.462 -3.680 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 19.534 2.749 -3.849 1.00 2.60 H new ATOM 1240 N TYR A 78 16.705 0.065 1.055 1.00 0.45 N ATOM 1241 CA TYR A 78 15.719 -0.885 1.545 1.00 0.47 C ATOM 1242 C TYR A 78 15.924 -2.269 0.962 1.00 0.52 C ATOM 1243 O TYR A 78 16.535 -2.432 -0.093 1.00 0.59 O ATOM 1244 CB TYR A 78 14.312 -0.403 1.188 1.00 0.48 C ATOM 1245 CG TYR A 78 14.081 1.052 1.511 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.636 1.435 2.767 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.290 2.037 0.559 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.407 2.759 3.067 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.065 3.365 0.852 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.692 3.729 2.103 1.00 1.17 C ATOM 1251 OH TYR A 78 13.394 5.032 2.406 1.00 1.44 O ATOM 0 H TYR A 78 16.746 0.151 0.039 1.00 0.45 H new ATOM 0 HA TYR A 78 15.840 -0.948 2.626 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.139 -0.564 0.124 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.581 -1.008 1.725 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.466 0.682 3.523 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.634 1.760 -0.427 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.013 3.043 4.032 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.186 4.115 0.085 1.00 0.99 H new ATOM 0 HH TYR A 78 12.918 5.068 3.262 1.00 1.44 H new ATOM 1261 N LYS A 79 15.406 -3.257 1.665 1.00 0.53 N ATOM 1262 CA LYS A 79 15.331 -4.608 1.157 1.00 0.58 C ATOM 1263 C LYS A 79 13.870 -4.962 0.930 1.00 0.46 C ATOM 1264 O LYS A 79 12.981 -4.289 1.462 1.00 0.47 O ATOM 1265 CB LYS A 79 16.007 -5.590 2.121 1.00 0.78 C ATOM 1266 CG LYS A 79 15.538 -5.491 3.564 1.00 1.39 C ATOM 1267 CD LYS A 79 14.235 -6.236 3.797 1.00 2.02 C ATOM 1268 CE LYS A 79 13.820 -6.190 5.255 1.00 2.63 C ATOM 1269 NZ LYS A 79 12.570 -6.958 5.494 1.00 3.52 N ATOM 0 H LYS A 79 15.026 -3.143 2.605 1.00 0.53 H new ATOM 0 HA LYS A 79 15.865 -4.678 0.209 1.00 0.58 H new ATOM 0 HB2 LYS A 79 15.832 -6.605 1.765 1.00 0.78 H new ATOM 0 HB3 LYS A 79 17.084 -5.423 2.091 1.00 0.78 H new ATOM 0 HG2 LYS A 79 16.307 -5.894 4.223 1.00 1.39 H new ATOM 0 HG3 LYS A 79 15.407 -4.442 3.831 1.00 1.39 H new ATOM 0 HD2 LYS A 79 13.450 -5.799 3.180 1.00 2.02 H new ATOM 0 HD3 LYS A 79 14.347 -7.274 3.482 1.00 2.02 H new ATOM 0 HE2 LYS A 79 14.620 -6.595 5.874 1.00 2.63 H new ATOM 0 HE3 LYS A 79 13.675 -5.154 5.560 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 12.584 -7.353 6.456 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 11.750 -6.327 5.390 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 12.501 -7.732 4.803 1.00 3.52 H new ATOM 1283 N LEU A 80 13.614 -6.000 0.157 1.00 0.45 N ATOM 1284 CA LEU A 80 12.251 -6.345 -0.196 1.00 0.41 C ATOM 1285 C LEU A 80 11.742 -7.539 0.586 1.00 0.42 C ATOM 1286 O LEU A 80 12.481 -8.483 0.875 1.00 0.49 O ATOM 1287 CB LEU A 80 12.130 -6.614 -1.691 1.00 0.50 C ATOM 1288 CG LEU A 80 11.484 -5.493 -2.483 1.00 0.58 C ATOM 1289 CD1 LEU A 80 11.678 -5.707 -3.972 1.00 1.34 C ATOM 1290 CD2 LEU A 80 10.007 -5.400 -2.148 1.00 0.74 C ATOM 0 H LEU A 80 14.327 -6.615 -0.236 1.00 0.45 H new ATOM 0 HA LEU A 80 11.631 -5.487 0.066 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.125 -6.800 -2.095 1.00 0.50 H new ATOM 0 HB3 LEU A 80 11.551 -7.526 -1.837 1.00 0.50 H new ATOM 0 HG LEU A 80 11.965 -4.554 -2.209 1.00 0.58 H new ATOM 0 HD11 LEU A 80 11.207 -4.892 -4.521 1.00 1.34 H new ATOM 0 HD12 LEU A 80 12.744 -5.730 -4.200 1.00 1.34 H new ATOM 0 HD13 LEU A 80 11.223 -6.653 -4.266 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.554 -4.592 -2.722 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.517 -6.341 -2.397 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.887 -5.200 -1.083 1.00 0.74 H new ATOM 1302 N LYS A 81 10.473 -7.471 0.932 1.00 0.40 N ATOM 1303 CA LYS A 81 9.790 -8.561 1.595 1.00 0.44 C ATOM 1304 C LYS A 81 8.491 -8.857 0.860 1.00 0.38 C ATOM 1305 O LYS A 81 7.505 -8.137 0.997 1.00 0.36 O ATOM 1306 CB LYS A 81 9.519 -8.186 3.056 1.00 0.49 C ATOM 1307 CG LYS A 81 8.590 -9.141 3.787 1.00 0.60 C ATOM 1308 CD LYS A 81 8.280 -8.645 5.190 1.00 0.71 C ATOM 1309 CE LYS A 81 7.164 -9.451 5.835 1.00 1.18 C ATOM 1310 NZ LYS A 81 5.902 -9.366 5.055 1.00 1.87 N ATOM 0 H LYS A 81 9.885 -6.655 0.760 1.00 0.40 H new ATOM 0 HA LYS A 81 10.412 -9.456 1.581 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.469 -8.142 3.589 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.089 -7.185 3.088 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.663 -9.251 3.225 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.049 -10.128 3.841 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.177 -8.708 5.805 1.00 0.71 H new ATOM 0 HD3 LYS A 81 7.994 -7.594 5.150 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.470 -10.494 5.919 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.991 -9.087 6.848 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 5.090 -9.473 5.696 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 5.849 -8.442 4.581 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 5.883 -10.123 4.342 1.00 1.87 H new ATOM 1324 N LYS A 82 8.503 -9.904 0.055 1.00 0.40 N ATOM 1325 CA LYS A 82 7.340 -10.269 -0.727 1.00 0.37 C ATOM 1326 C LYS A 82 6.504 -11.296 0.026 1.00 0.36 C ATOM 1327 O LYS A 82 6.964 -12.403 0.298 1.00 0.46 O ATOM 1328 CB LYS A 82 7.797 -10.820 -2.076 1.00 0.47 C ATOM 1329 CG LYS A 82 8.757 -9.889 -2.801 1.00 0.54 C ATOM 1330 CD LYS A 82 9.315 -10.524 -4.060 1.00 0.76 C ATOM 1331 CE LYS A 82 10.328 -9.609 -4.736 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.918 -10.219 -5.960 1.00 1.10 N ATOM 0 H LYS A 82 9.308 -10.517 -0.073 1.00 0.40 H new ATOM 0 HA LYS A 82 6.718 -9.390 -0.897 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.280 -11.785 -1.924 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.925 -10.996 -2.705 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.241 -8.964 -3.058 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.577 -9.622 -2.135 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.788 -11.474 -3.812 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.501 -10.744 -4.751 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.844 -8.668 -4.999 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.125 -9.371 -4.032 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.649 -9.587 -6.345 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.345 -11.136 -5.720 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.173 -10.360 -6.672 1.00 1.10 H new ATOM 1346 N SER A 83 5.283 -10.923 0.375 1.00 0.31 N ATOM 1347 CA SER A 83 4.419 -11.795 1.157 1.00 0.36 C ATOM 1348 C SER A 83 2.978 -11.727 0.657 1.00 0.31 C ATOM 1349 O SER A 83 2.664 -10.955 -0.245 1.00 0.50 O ATOM 1350 CB SER A 83 4.485 -11.388 2.630 1.00 0.46 C ATOM 1351 OG SER A 83 5.831 -11.291 3.074 1.00 1.12 O ATOM 0 H SER A 83 4.868 -10.024 0.130 1.00 0.31 H new ATOM 0 HA SER A 83 4.766 -12.822 1.046 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.983 -10.430 2.769 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.950 -12.119 3.237 1.00 0.46 H new ATOM 0 HG SER A 83 5.957 -11.859 3.862 1.00 1.12 H new ATOM 1357 N THR A 84 2.122 -12.564 1.218 1.00 0.25 N ATOM 1358 CA THR A 84 0.700 -12.539 0.915 1.00 0.23 C ATOM 1359 C THR A 84 -0.097 -12.468 2.216 1.00 0.22 C ATOM 1360 O THR A 84 -0.016 -13.370 3.050 1.00 0.29 O ATOM 1361 CB THR A 84 0.297 -13.792 0.113 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.312 -14.072 -0.861 1.00 0.35 O ATOM 1363 CG2 THR A 84 -1.034 -13.591 -0.595 1.00 0.27 C ATOM 0 H THR A 84 2.391 -13.278 1.894 1.00 0.25 H new ATOM 0 HA THR A 84 0.482 -11.660 0.309 1.00 0.23 H new ATOM 0 HB THR A 84 0.192 -14.626 0.807 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.052 -13.688 -1.724 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.290 -14.493 -1.152 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.811 -13.387 0.142 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.957 -12.749 -1.283 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.836 -11.381 2.402 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.592 -11.170 3.633 1.00 0.18 C ATOM 1373 C ASN A 85 -2.765 -10.243 3.362 1.00 0.17 C ATOM 1374 O ASN A 85 -2.777 -9.534 2.354 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.707 -10.549 4.718 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.162 -10.883 6.133 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.338 -11.138 6.385 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.221 -10.879 7.066 1.00 0.37 N ATOM 0 H ASN A 85 -0.929 -10.631 1.717 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.952 -12.138 3.981 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.318 -10.895 4.583 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.697 -9.466 4.593 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.462 -11.093 8.034 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.744 -10.662 6.816 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.755 -10.267 4.240 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.848 -9.320 4.172 1.00 0.19 C ATOM 1387 C LYS A 86 -4.361 -7.972 4.681 1.00 0.18 C ATOM 1388 O LYS A 86 -3.267 -7.877 5.235 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.017 -9.792 5.034 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.262 -11.288 4.980 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.580 -11.641 5.632 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.730 -13.138 5.818 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.900 -13.484 6.670 1.00 1.17 N ATOM 0 H LYS A 86 -3.821 -10.935 5.008 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.186 -9.236 3.139 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.832 -9.502 6.068 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.922 -9.275 4.715 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.263 -11.624 3.943 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.450 -11.812 5.484 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.652 -11.145 6.600 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.401 -11.266 5.020 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -7.839 -13.614 4.844 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.823 -13.539 6.270 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.963 -14.517 6.770 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.786 -13.052 7.609 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.770 -13.125 6.227 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.157 -6.934 4.511 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.807 -5.636 5.057 1.00 0.18 C ATOM 1409 C PHE A 87 -6.046 -4.808 5.342 1.00 0.18 C ATOM 1410 O PHE A 87 -7.096 -5.007 4.735 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.839 -4.878 4.135 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.266 -4.783 2.692 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.307 -3.946 2.325 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.646 -5.538 1.707 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.717 -3.862 1.009 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.054 -5.456 0.389 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.017 -4.597 0.020 1.00 0.20 C ATOM 0 H PHE A 87 -6.042 -6.962 4.005 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.294 -5.809 6.003 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.707 -3.869 4.525 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.865 -5.366 4.177 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.804 -3.352 3.077 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -2.834 -6.198 1.974 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.560 -3.244 0.737 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.592 -6.091 -0.353 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.257 -4.467 -1.025 1.00 0.20 H new ATOM 1427 N CYS A 88 -5.924 -3.910 6.299 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.013 -3.037 6.667 1.00 0.20 C ATOM 1429 C CYS A 88 -6.809 -1.677 6.019 1.00 0.20 C ATOM 1430 O CYS A 88 -5.758 -1.049 6.192 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.080 -2.892 8.184 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.491 -1.909 8.775 1.00 0.49 S ATOM 0 H CYS A 88 -5.071 -3.768 6.839 1.00 0.20 H new ATOM 0 HA CYS A 88 -7.953 -3.465 6.318 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.130 -3.885 8.631 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.157 -2.430 8.535 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.792 -1.233 5.260 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.730 0.066 4.614 1.00 0.22 C ATOM 1439 C VAL A 89 -8.813 0.980 5.161 1.00 0.24 C ATOM 1440 O VAL A 89 -9.919 0.532 5.472 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.863 -0.040 3.073 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.593 -0.623 2.475 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.069 -0.886 2.680 1.00 0.20 C ATOM 0 H VAL A 89 -8.648 -1.755 5.074 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.749 0.487 4.834 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.013 0.964 2.677 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.699 -0.692 1.392 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.748 0.022 2.716 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.420 -1.617 2.887 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.136 -0.942 1.593 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -8.958 -1.890 3.089 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -9.977 -0.432 3.076 1.00 0.20 H new ATOM 1453 N THR A 90 -8.487 2.251 5.319 1.00 0.26 N ATOM 1454 CA THR A 90 -9.468 3.220 5.755 1.00 0.28 C ATOM 1455 C THR A 90 -10.314 3.643 4.563 1.00 0.25 C ATOM 1456 O THR A 90 -9.841 4.364 3.679 1.00 0.25 O ATOM 1457 CB THR A 90 -8.791 4.458 6.371 1.00 0.33 C ATOM 1458 OG1 THR A 90 -7.938 4.060 7.452 1.00 0.35 O ATOM 1459 CG2 THR A 90 -9.820 5.459 6.879 1.00 0.40 C ATOM 0 H THR A 90 -7.555 2.631 5.152 1.00 0.26 H new ATOM 0 HA THR A 90 -10.095 2.760 6.519 1.00 0.28 H new ATOM 0 HB THR A 90 -8.201 4.939 5.591 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.485 3.742 8.200 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.308 6.321 7.308 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.450 5.785 6.051 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.440 4.988 7.642 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.547 3.176 4.528 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.428 3.452 3.411 1.00 0.22 C ATOM 1469 C CYS A 91 -13.288 4.674 3.670 1.00 0.25 C ATOM 1470 O CYS A 91 -13.961 4.767 4.694 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.308 2.239 3.149 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.363 0.731 2.785 1.00 0.20 S ATOM 0 H CYS A 91 -11.962 2.602 5.262 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.815 3.660 2.534 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -13.940 2.062 4.019 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.972 2.454 2.312 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.243 5.616 2.742 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.085 6.793 2.809 1.00 0.29 C ATOM 1479 C GLU A 92 -14.516 7.178 1.401 1.00 0.27 C ATOM 1480 O GLU A 92 -13.688 7.225 0.491 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.338 7.954 3.468 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.254 8.912 4.206 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.546 10.163 4.674 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.422 11.116 3.880 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.098 10.198 5.839 1.00 0.76 O ATOM 0 H GLU A 92 -12.627 5.585 1.930 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.964 6.570 3.413 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.602 7.555 4.166 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.787 8.503 2.704 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.081 9.192 3.553 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.686 8.402 5.067 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.812 7.422 1.220 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.374 7.766 -0.093 1.00 0.31 C ATOM 1494 C ASN A 93 -16.103 6.663 -1.110 1.00 0.28 C ATOM 1495 O ASN A 93 -15.897 6.935 -2.297 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.811 9.095 -0.614 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.159 10.273 0.272 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.214 10.889 0.120 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.268 10.607 1.193 1.00 0.65 N ATOM 0 H ASN A 93 -16.502 7.388 1.971 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.451 7.872 0.038 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.727 9.017 -0.696 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.194 9.277 -1.618 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.444 11.401 1.809 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.406 10.070 1.287 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.113 5.422 -0.628 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.949 4.235 -1.466 1.00 0.25 C ATOM 1508 C GLN A 94 -14.531 4.111 -2.008 1.00 0.22 C ATOM 1509 O GLN A 94 -14.288 3.380 -2.968 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.951 4.240 -2.619 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.400 4.257 -2.164 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.368 4.253 -3.326 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.470 4.789 -3.233 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.961 3.653 -4.427 1.00 0.48 N ATOM 0 H GLN A 94 -16.236 5.210 0.362 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.141 3.370 -0.832 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.766 5.112 -3.247 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.784 3.359 -3.239 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.590 3.389 -1.533 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.575 5.141 -1.551 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.038 3.221 -4.461 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.569 3.621 -5.245 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.595 4.805 -1.384 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.203 4.730 -1.791 1.00 0.19 C ATOM 1525 C ALA A 95 -11.279 4.626 -0.585 1.00 0.17 C ATOM 1526 O ALA A 95 -11.501 5.279 0.438 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.834 5.939 -2.634 1.00 0.21 C ATOM 0 H ALA A 95 -13.773 5.426 -0.595 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.077 3.828 -2.390 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.788 5.869 -2.932 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.463 5.968 -3.523 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.986 6.848 -2.052 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.269 3.752 -0.671 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.203 3.669 0.329 1.00 0.17 C ATOM 1535 C PRO A 96 -8.415 4.977 0.429 1.00 0.19 C ATOM 1536 O PRO A 96 -7.703 5.355 -0.499 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.297 2.545 -0.185 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.120 1.781 -1.166 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.118 2.747 -1.734 1.00 0.17 C ATOM 0 HA PRO A 96 -9.599 3.483 1.327 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.401 2.949 -0.656 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -7.966 1.904 0.632 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.494 1.363 -1.954 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.623 0.945 -0.681 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.760 3.195 -2.661 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.065 2.258 -1.961 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.558 5.671 1.552 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.883 6.952 1.744 1.00 0.24 C ATOM 1549 C VAL A 97 -6.663 6.809 2.653 1.00 0.27 C ATOM 1550 O VAL A 97 -5.654 7.493 2.473 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.837 8.026 2.320 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.997 8.281 1.369 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.355 7.622 3.690 1.00 0.35 C ATOM 0 H VAL A 97 -9.132 5.372 2.340 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.552 7.278 0.758 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.269 8.950 2.431 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.655 9.039 1.793 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.612 8.630 0.411 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.556 7.357 1.221 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.023 8.396 4.069 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.899 6.681 3.610 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.516 7.499 4.375 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.753 5.914 3.628 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.653 5.681 4.556 1.00 0.35 C ATOM 1565 C HIS A 98 -5.329 4.198 4.597 1.00 0.31 C ATOM 1566 O HIS A 98 -6.178 3.365 4.278 1.00 0.31 O ATOM 1567 CB HIS A 98 -5.992 6.145 5.981 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.320 7.602 6.127 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -6.030 8.664 5.346 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -7.023 8.103 7.199 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -6.556 9.777 5.951 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -7.152 9.407 7.067 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.577 5.337 3.797 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.799 6.258 4.200 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -6.839 5.562 6.342 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.147 5.914 6.630 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.409 7.518 8.021 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -6.492 10.788 5.576 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -7.633 10.027 7.719 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.114 3.872 4.989 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.711 2.486 5.144 1.00 0.29 C ATOM 1583 C PHE A 99 -3.483 2.190 6.620 1.00 0.29 C ATOM 1584 O PHE A 99 -2.653 2.827 7.268 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.445 2.202 4.334 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.078 0.746 4.273 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.764 -0.124 3.439 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.048 0.247 5.054 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.429 -1.463 3.387 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.708 -1.091 5.006 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.401 -1.947 4.147 1.00 0.31 C ATOM 0 H PHE A 99 -3.384 4.550 5.207 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.502 1.837 4.768 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.583 2.575 3.319 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.615 2.759 4.768 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.569 0.249 2.823 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.504 0.912 5.708 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -2.982 -2.131 2.743 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.088 -1.473 5.628 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.125 -2.989 4.083 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.233 1.235 7.142 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.174 0.892 8.555 1.00 0.28 C ATOM 1603 C VAL A 100 -3.006 -0.051 8.835 1.00 0.28 C ATOM 1604 O VAL A 100 -2.113 0.258 9.626 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.500 0.243 9.007 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.454 -0.146 10.476 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.671 1.180 8.731 1.00 0.29 C ATOM 0 H VAL A 100 -4.896 0.678 6.604 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.020 1.810 9.122 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.642 -0.670 8.429 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.403 -0.600 10.762 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.647 -0.860 10.638 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.280 0.743 11.082 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.599 0.708 9.055 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.528 2.112 9.277 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.725 1.390 7.663 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.019 -1.196 8.174 1.00 0.28 N ATOM 1618 CA GLY A 101 -1.946 -2.160 8.320 1.00 0.29 C ATOM 1619 C GLY A 101 -2.346 -3.499 7.761 1.00 0.25 C ATOM 1620 O GLY A 101 -3.509 -3.697 7.420 1.00 0.28 O ATOM 0 H GLY A 101 -3.760 -1.479 7.533 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.055 -1.799 7.806 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -1.686 -2.264 9.374 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.408 -4.424 7.667 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.711 -5.725 7.102 1.00 0.22 C ATOM 1626 C VAL A 102 -2.058 -6.715 8.206 1.00 0.24 C ATOM 1627 O VAL A 102 -1.663 -6.539 9.360 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.554 -6.281 6.233 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.156 -5.158 5.495 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.427 -7.113 7.046 1.00 0.25 C ATOM 0 H VAL A 102 -0.442 -4.301 7.970 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.572 -5.593 6.447 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.997 -6.949 5.494 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.964 -5.573 4.892 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.553 -4.643 4.847 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.567 -4.452 6.216 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.220 -7.481 6.394 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.861 -6.497 7.833 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.096 -7.958 7.493 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.819 -7.729 7.847 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.204 -8.747 8.800 1.00 0.29 C ATOM 1642 C GLY A 103 -4.590 -8.515 9.365 1.00 0.28 C ATOM 1643 O GLY A 103 -5.441 -9.402 9.317 1.00 0.34 O ATOM 0 H GLY A 103 -3.182 -7.869 6.904 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.170 -9.724 8.317 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.481 -8.769 9.616 1.00 0.29 H new ATOM 1647 N SER A 104 -4.820 -7.322 9.897 1.00 0.33 N ATOM 1648 CA SER A 104 -6.097 -6.986 10.507 1.00 0.32 C ATOM 1649 C SER A 104 -6.194 -5.480 10.713 1.00 0.39 C ATOM 1650 O SER A 104 -5.273 -4.739 10.360 1.00 0.59 O ATOM 1651 CB SER A 104 -6.247 -7.725 11.842 1.00 0.45 C ATOM 1652 OG SER A 104 -7.585 -7.688 12.311 1.00 1.38 O ATOM 0 H SER A 104 -4.134 -6.568 9.918 1.00 0.33 H new ATOM 0 HA SER A 104 -6.905 -7.297 9.845 1.00 0.32 H new ATOM 0 HB2 SER A 104 -5.931 -8.761 11.722 1.00 0.45 H new ATOM 0 HB3 SER A 104 -5.588 -7.274 12.584 1.00 0.45 H new ATOM 0 HG SER A 104 -7.647 -8.169 13.162 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.314 -5.036 11.257 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.515 -3.625 11.563 1.00 0.53 C ATOM 1660 C CYS A 105 -7.030 -3.301 12.975 1.00 0.48 C ATOM 1661 O CYS A 105 -7.848 -2.846 13.802 1.00 1.10 O ATOM 1662 CB CYS A 105 -8.996 -3.259 11.433 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.638 -3.276 9.734 1.00 1.01 S ATOM 1664 OXT CYS A 105 -5.840 -3.530 13.267 1.00 1.20 O ATOM 0 H CYS A 105 -8.104 -5.634 11.498 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.935 -3.039 10.850 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -9.582 -3.954 12.035 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.149 -2.265 11.854 1.00 0.82 H new TER 1669 CYS A 105