USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 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+ 179:sc= 0.813 (180deg=-0.0912) USER MOD Set 1.2: A 83 SER OG : rot 153:sc= 2.07 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.06 K(o=2.1,f=-2.9) USER MOD Set 2.2: A 90 THR OG1 : rot -59:sc= 1.02 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 179:sc= 2.08 (180deg=1.18) USER MOD Set 3.2: A 35 ASN : amide:sc= 2.29 K(o=4.4,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.88! K(o=-1.9!,f=-1.1) USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.0634 X(o=0.063,f=-0.23) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 0.971 K(o=0.97,f=-3.4!) USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.113 USER MOD Single : A 14 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.063) USER MOD Single : A 15 THR OG1 : rot -127:sc= 0.449 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 25 SER OG : rot -84:sc= 1.23 USER MOD Single : A 26 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 27 ASN : amide:sc= -0.0799 X(o=-0.08,f=-0.08) USER MOD Single : A 30 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.69) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0357 (180deg=-0.432) USER MOD Single : A 36 THR OG1 : rot -110:sc= 1.26 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0131 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 45:sc= 0.0709 USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0379) USER MOD Single : A 60 THR OG1 : rot 105:sc= -0.13 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 62 SER OG : rot 180:sc=-0.00855 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -121:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc=-0.000108 K(o=-0.00011,f=-1) USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.0584 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.684) USER MOD Single : A 78 TYR OH : rot 1:sc= -0.927! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= 0.626 (180deg=-0.323) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.451 K(o=0.45,f=-6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.796 K(o=-0.8,f=-0.18) USER MOD Single : A 94 GLN : amide:sc= -1.73! C(o=-1.7!,f=-2.2!) USER MOD Single : A 98 HIS : no HD1:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 104 SER OG : rot 3:sc= 0.312 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.026 15.527 4.370 1.00 2.73 N ATOM 2 CA MET A 1 -3.884 15.098 3.243 1.00 1.99 C ATOM 3 C MET A 1 -3.433 13.759 2.681 1.00 1.53 C ATOM 4 O MET A 1 -2.303 13.610 2.214 1.00 2.16 O ATOM 5 CB MET A 1 -3.894 16.149 2.131 1.00 2.50 C ATOM 6 CG MET A 1 -4.736 17.370 2.456 1.00 3.10 C ATOM 7 SD MET A 1 -4.819 18.544 1.090 1.00 4.10 S ATOM 8 CE MET A 1 -6.015 19.716 1.728 1.00 4.70 C ATOM 0 H1 MET A 1 -3.360 16.443 4.731 1.00 2.73 H new ATOM 0 H2 MET A 1 -3.071 14.818 5.130 1.00 2.73 H new ATOM 0 H3 MET A 1 -2.044 15.621 4.042 1.00 2.73 H new ATOM 0 HA MET A 1 -4.896 14.986 3.633 1.00 1.99 H new ATOM 0 HB2 MET A 1 -2.870 16.466 1.933 1.00 2.50 H new ATOM 0 HB3 MET A 1 -4.269 15.693 1.215 1.00 2.50 H new ATOM 0 HG2 MET A 1 -5.745 17.051 2.717 1.00 3.10 H new ATOM 0 HG3 MET A 1 -4.322 17.868 3.333 1.00 3.10 H new ATOM 0 HE1 MET A 1 -6.176 20.507 0.996 1.00 4.70 H new ATOM 0 HE2 MET A 1 -6.958 19.205 1.922 1.00 4.70 H new ATOM 0 HE3 MET A 1 -5.640 20.150 2.655 1.00 4.70 H new ATOM 20 N GLN A 2 -4.330 12.790 2.737 1.00 0.97 N ATOM 21 CA GLN A 2 -4.097 11.478 2.169 1.00 0.74 C ATOM 22 C GLN A 2 -5.431 10.872 1.775 1.00 0.65 C ATOM 23 O GLN A 2 -6.285 10.627 2.626 1.00 0.86 O ATOM 24 CB GLN A 2 -3.385 10.552 3.154 1.00 1.18 C ATOM 25 CG GLN A 2 -2.919 9.248 2.521 1.00 1.83 C ATOM 26 CD GLN A 2 -2.414 8.249 3.540 1.00 2.42 C ATOM 27 OE1 GLN A 2 -1.234 8.230 3.879 1.00 2.91 O ATOM 28 NE2 GLN A 2 -3.304 7.398 4.019 1.00 3.09 N ATOM 0 H GLN A 2 -5.243 12.894 3.180 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.453 11.590 1.297 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -2.524 11.072 3.575 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -4.057 10.327 3.982 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -3.744 8.805 1.963 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.126 9.461 1.804 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -4.275 7.448 3.711 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -3.020 6.691 4.697 1.00 3.09 H new ATOM 37 N ASP A 3 -5.597 10.634 0.492 1.00 0.48 N ATOM 38 CA ASP A 3 -6.854 10.128 -0.044 1.00 0.44 C ATOM 39 C ASP A 3 -6.576 9.069 -1.098 1.00 0.32 C ATOM 40 O ASP A 3 -5.443 8.615 -1.218 1.00 0.32 O ATOM 41 CB ASP A 3 -7.682 11.264 -0.637 1.00 0.55 C ATOM 42 CG ASP A 3 -8.275 12.175 0.423 1.00 1.30 C ATOM 43 OD1 ASP A 3 -9.311 11.809 1.014 1.00 1.97 O ATOM 44 OD2 ASP A 3 -7.715 13.267 0.667 1.00 1.67 O ATOM 0 H ASP A 3 -4.872 10.783 -0.210 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.426 9.679 0.768 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -7.055 11.853 -1.307 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.487 10.844 -1.240 1.00 0.55 H new ATOM 49 N TRP A 4 -7.595 8.686 -1.865 1.00 0.32 N ATOM 50 CA TRP A 4 -7.462 7.608 -2.851 1.00 0.27 C ATOM 51 C TRP A 4 -6.303 7.863 -3.818 1.00 0.24 C ATOM 52 O TRP A 4 -5.557 6.946 -4.163 1.00 0.25 O ATOM 53 CB TRP A 4 -8.771 7.423 -3.629 1.00 0.29 C ATOM 54 CG TRP A 4 -8.712 6.328 -4.659 1.00 0.28 C ATOM 55 CD1 TRP A 4 -9.081 6.415 -5.971 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.260 4.982 -4.461 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.880 5.209 -6.599 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.376 4.315 -5.694 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.768 4.275 -3.362 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -8.016 2.983 -5.855 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.413 2.951 -3.523 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.539 2.316 -4.762 1.00 0.22 C ATOM 0 H TRP A 4 -8.524 9.105 -1.825 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.243 6.692 -2.303 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.574 7.205 -2.925 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.026 8.361 -4.123 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.474 7.302 -6.446 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -9.075 5.012 -7.581 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.667 4.757 -2.401 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -8.110 2.491 -6.812 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.032 2.397 -2.678 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.254 1.279 -4.857 1.00 0.22 H new ATOM 73 N LEU A 5 -6.150 9.108 -4.248 1.00 0.28 N ATOM 74 CA LEU A 5 -5.074 9.469 -5.160 1.00 0.32 C ATOM 75 C LEU A 5 -3.710 9.253 -4.503 1.00 0.32 C ATOM 76 O LEU A 5 -2.793 8.716 -5.122 1.00 0.35 O ATOM 77 CB LEU A 5 -5.218 10.927 -5.616 1.00 0.42 C ATOM 78 CG LEU A 5 -6.409 11.225 -6.539 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.437 10.253 -7.710 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.730 11.194 -5.780 1.00 0.84 C ATOM 0 H LEU A 5 -6.756 9.883 -3.980 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.142 8.822 -6.035 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.302 11.558 -4.731 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.302 11.219 -6.130 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.279 12.234 -6.929 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.288 10.481 -8.352 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.515 10.347 -8.283 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.528 9.234 -7.335 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.549 11.409 -6.466 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.874 10.207 -5.341 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.713 11.944 -4.989 1.00 0.84 H new ATOM 92 N THR A 6 -3.594 9.658 -3.246 1.00 0.34 N ATOM 93 CA THR A 6 -2.350 9.512 -2.501 1.00 0.40 C ATOM 94 C THR A 6 -2.102 8.047 -2.146 1.00 0.35 C ATOM 95 O THR A 6 -0.969 7.564 -2.188 1.00 0.37 O ATOM 96 CB THR A 6 -2.390 10.342 -1.203 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.875 11.662 -1.483 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.010 10.431 -0.567 1.00 0.61 C ATOM 0 H THR A 6 -4.351 10.093 -2.718 1.00 0.34 H new ATOM 0 HA THR A 6 -1.541 9.873 -3.136 1.00 0.40 H new ATOM 0 HB THR A 6 -3.061 9.844 -0.503 1.00 0.52 H new ATOM 0 HG1 THR A 6 -2.751 12.230 -0.694 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.068 11.022 0.347 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.654 9.429 -0.329 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.319 10.906 -1.263 1.00 0.61 H new ATOM 106 N PHE A 7 -3.180 7.354 -1.806 1.00 0.29 N ATOM 107 CA PHE A 7 -3.124 5.955 -1.418 1.00 0.26 C ATOM 108 C PHE A 7 -2.525 5.117 -2.539 1.00 0.23 C ATOM 109 O PHE A 7 -1.658 4.274 -2.305 1.00 0.24 O ATOM 110 CB PHE A 7 -4.538 5.466 -1.091 1.00 0.24 C ATOM 111 CG PHE A 7 -4.591 4.106 -0.452 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.461 2.965 -1.226 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.760 3.970 0.916 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.505 1.713 -0.647 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.804 2.720 1.501 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.700 1.599 0.737 1.00 0.27 C ATOM 0 H PHE A 7 -4.120 7.749 -1.792 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.490 5.851 -0.537 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -5.014 6.186 -0.425 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.124 5.446 -2.010 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.324 3.056 -2.293 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.858 4.852 1.532 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.390 0.828 -1.255 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.922 2.632 2.571 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.767 0.623 1.195 1.00 0.27 H new ATOM 126 N GLN A 8 -2.992 5.371 -3.755 1.00 0.23 N ATOM 127 CA GLN A 8 -2.527 4.662 -4.932 1.00 0.24 C ATOM 128 C GLN A 8 -1.025 4.785 -5.117 1.00 0.24 C ATOM 129 O GLN A 8 -0.308 3.793 -5.077 1.00 0.25 O ATOM 130 CB GLN A 8 -3.215 5.207 -6.166 1.00 0.27 C ATOM 131 CG GLN A 8 -4.613 4.664 -6.393 1.00 0.27 C ATOM 132 CD GLN A 8 -5.293 5.319 -7.577 1.00 0.32 C ATOM 133 OE1 GLN A 8 -5.188 4.850 -8.708 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.985 6.419 -7.324 1.00 0.45 N ATOM 0 H GLN A 8 -3.704 6.075 -3.949 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.770 3.609 -4.790 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.268 6.293 -6.088 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.603 4.979 -7.039 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.561 3.587 -6.555 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.213 4.823 -5.497 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.047 6.775 -6.370 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.456 6.911 -8.083 1.00 0.45 H new ATOM 143 N LYS A 9 -0.562 6.013 -5.310 1.00 0.26 N ATOM 144 CA LYS A 9 0.850 6.285 -5.572 1.00 0.29 C ATOM 145 C LYS A 9 1.741 5.618 -4.532 1.00 0.29 C ATOM 146 O LYS A 9 2.846 5.162 -4.830 1.00 0.33 O ATOM 147 CB LYS A 9 1.092 7.794 -5.531 1.00 0.32 C ATOM 148 CG LYS A 9 0.165 8.590 -6.432 1.00 0.33 C ATOM 149 CD LYS A 9 0.131 10.058 -6.039 1.00 0.67 C ATOM 150 CE LYS A 9 -0.920 10.820 -6.831 1.00 1.20 C ATOM 151 NZ LYS A 9 -1.077 12.220 -6.357 1.00 1.88 N ATOM 0 H LYS A 9 -1.149 6.847 -5.290 1.00 0.26 H new ATOM 0 HA LYS A 9 1.096 5.883 -6.555 1.00 0.29 H new ATOM 0 HB2 LYS A 9 0.974 8.143 -4.505 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.124 7.995 -5.819 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.494 8.497 -7.467 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.841 8.175 -6.378 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -0.080 10.146 -4.973 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.111 10.504 -6.208 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -0.645 10.824 -7.886 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -1.876 10.303 -6.753 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -1.803 12.700 -6.926 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -1.365 12.218 -5.358 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -0.172 12.723 -6.455 1.00 1.88 H new ATOM 165 N LYS A 10 1.232 5.567 -3.314 1.00 0.28 N ATOM 166 CA LYS A 10 2.018 5.161 -2.161 1.00 0.30 C ATOM 167 C LYS A 10 1.917 3.663 -1.867 1.00 0.26 C ATOM 168 O LYS A 10 2.776 3.109 -1.178 1.00 0.29 O ATOM 169 CB LYS A 10 1.564 5.976 -0.945 1.00 0.38 C ATOM 170 CG LYS A 10 2.627 6.150 0.128 1.00 0.63 C ATOM 171 CD LYS A 10 2.302 7.328 1.036 1.00 0.73 C ATOM 172 CE LYS A 10 3.432 7.616 2.010 1.00 1.10 C ATOM 173 NZ LYS A 10 3.298 8.961 2.630 1.00 1.34 N ATOM 0 H LYS A 10 0.264 5.805 -3.096 1.00 0.28 H new ATOM 0 HA LYS A 10 3.067 5.356 -2.384 1.00 0.30 H new ATOM 0 HB2 LYS A 10 1.242 6.961 -1.283 1.00 0.38 H new ATOM 0 HB3 LYS A 10 0.694 5.491 -0.502 1.00 0.38 H new ATOM 0 HG2 LYS A 10 2.701 5.239 0.722 1.00 0.63 H new ATOM 0 HG3 LYS A 10 3.599 6.305 -0.340 1.00 0.63 H new ATOM 0 HD2 LYS A 10 2.110 8.213 0.429 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.388 7.118 1.591 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.442 6.855 2.791 1.00 1.10 H new ATOM 0 HE3 LYS A 10 4.387 7.550 1.489 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 4.087 9.120 3.288 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.314 9.689 1.887 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 2.398 9.016 3.149 1.00 1.34 H new ATOM 187 N HIS A 11 0.871 3.000 -2.356 1.00 0.25 N ATOM 188 CA HIS A 11 0.640 1.603 -1.970 1.00 0.24 C ATOM 189 C HIS A 11 0.230 0.713 -3.138 1.00 0.23 C ATOM 190 O HIS A 11 0.154 -0.498 -2.984 1.00 0.26 O ATOM 191 CB HIS A 11 -0.422 1.505 -0.867 1.00 0.26 C ATOM 192 CG HIS A 11 -0.020 2.151 0.425 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.777 1.531 1.368 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.310 3.375 0.931 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.953 2.342 2.394 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.305 3.465 2.155 1.00 0.37 N ATOM 0 H HIS A 11 0.185 3.390 -3.002 1.00 0.25 H new ATOM 0 HA HIS A 11 1.599 1.240 -1.600 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.343 1.967 -1.222 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.644 0.454 -0.682 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.168 0.593 1.284 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -0.912 4.137 0.459 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.530 2.123 3.280 1.00 0.34 H new ATOM 205 N ILE A 12 -0.042 1.286 -4.293 1.00 0.23 N ATOM 206 CA ILE A 12 -0.470 0.495 -5.439 1.00 0.24 C ATOM 207 C ILE A 12 0.682 0.308 -6.418 1.00 0.23 C ATOM 208 O ILE A 12 1.151 1.269 -7.030 1.00 0.30 O ATOM 209 CB ILE A 12 -1.672 1.148 -6.164 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.876 1.266 -5.223 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.055 0.359 -7.407 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.357 -0.059 -4.666 1.00 0.48 C ATOM 0 H ILE A 12 0.024 2.289 -4.467 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.786 -0.478 -5.064 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.369 2.149 -6.471 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.613 1.923 -4.394 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.697 1.743 -5.759 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.902 0.840 -7.897 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.209 0.328 -8.093 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.329 -0.657 -7.123 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.211 0.111 -4.010 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.654 -0.712 -5.486 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.553 -0.529 -4.100 1.00 0.48 H new ATOM 224 N THR A 13 1.146 -0.925 -6.554 1.00 0.20 N ATOM 225 CA THR A 13 2.220 -1.226 -7.477 1.00 0.21 C ATOM 226 C THR A 13 1.812 -2.367 -8.409 1.00 0.22 C ATOM 227 O THR A 13 0.951 -3.183 -8.072 1.00 0.24 O ATOM 228 CB THR A 13 3.541 -1.575 -6.746 1.00 0.21 C ATOM 229 OG1 THR A 13 4.630 -1.545 -7.677 1.00 0.30 O ATOM 230 CG2 THR A 13 3.478 -2.944 -6.084 1.00 0.21 C ATOM 0 H THR A 13 0.794 -1.730 -6.036 1.00 0.20 H new ATOM 0 HA THR A 13 2.404 -0.327 -8.065 1.00 0.21 H new ATOM 0 HB THR A 13 3.694 -0.831 -5.964 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.474 -1.444 -7.190 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.424 -3.150 -5.583 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.670 -2.958 -5.353 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.295 -3.706 -6.841 1.00 0.21 H new ATOM 238 N ASN A 14 2.421 -2.410 -9.584 1.00 0.28 N ATOM 239 CA ASN A 14 2.071 -3.404 -10.591 1.00 0.33 C ATOM 240 C ASN A 14 3.188 -4.427 -10.766 1.00 0.32 C ATOM 241 O ASN A 14 3.282 -5.092 -11.796 1.00 0.36 O ATOM 242 CB ASN A 14 1.756 -2.717 -11.926 1.00 0.46 C ATOM 243 CG ASN A 14 2.915 -1.891 -12.461 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.074 -0.723 -12.102 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.720 -2.476 -13.336 1.00 2.08 N ATOM 0 H ASN A 14 3.162 -1.768 -9.866 1.00 0.28 H new ATOM 0 HA ASN A 14 1.182 -3.935 -10.250 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.487 -3.474 -12.663 1.00 0.46 H new ATOM 0 HB3 ASN A 14 0.886 -2.072 -11.799 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.502 -1.957 -13.736 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.558 -3.445 -13.610 1.00 2.08 H new ATOM 252 N THR A 15 4.011 -4.571 -9.742 1.00 0.33 N ATOM 253 CA THR A 15 5.101 -5.536 -9.757 1.00 0.36 C ATOM 254 C THR A 15 5.189 -6.250 -8.409 1.00 0.33 C ATOM 255 O THR A 15 4.847 -5.674 -7.375 1.00 0.36 O ATOM 256 CB THR A 15 6.450 -4.846 -10.084 1.00 0.42 C ATOM 257 OG1 THR A 15 7.533 -5.783 -10.013 1.00 0.48 O ATOM 258 CG2 THR A 15 6.724 -3.687 -9.135 1.00 0.43 C ATOM 0 H THR A 15 3.945 -4.027 -8.881 1.00 0.33 H new ATOM 0 HA THR A 15 4.896 -6.269 -10.537 1.00 0.36 H new ATOM 0 HB THR A 15 6.375 -4.458 -11.100 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.232 -5.431 -9.423 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.677 -3.225 -9.391 1.00 0.43 H new ATOM 0 HG22 THR A 15 5.927 -2.948 -9.223 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.764 -4.057 -8.111 1.00 0.43 H new ATOM 266 N ARG A 16 5.614 -7.512 -8.420 1.00 0.32 N ATOM 267 CA ARG A 16 5.800 -8.254 -7.178 1.00 0.31 C ATOM 268 C ARG A 16 7.063 -7.799 -6.474 1.00 0.33 C ATOM 269 O ARG A 16 7.199 -7.931 -5.256 1.00 0.45 O ATOM 270 CB ARG A 16 5.867 -9.765 -7.421 1.00 0.36 C ATOM 271 CG ARG A 16 4.530 -10.392 -7.740 1.00 0.45 C ATOM 272 CD ARG A 16 3.550 -10.110 -6.624 1.00 0.38 C ATOM 273 NE ARG A 16 3.967 -10.676 -5.340 1.00 0.32 N ATOM 274 CZ ARG A 16 4.135 -9.953 -4.229 1.00 0.40 C ATOM 275 NH1 ARG A 16 3.990 -8.632 -4.260 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.435 -10.549 -3.085 1.00 0.51 N ATOM 0 H ARG A 16 5.834 -8.037 -9.267 1.00 0.32 H new ATOM 0 HA ARG A 16 4.935 -8.049 -6.548 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.555 -9.961 -8.243 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.282 -10.248 -6.536 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.148 -9.995 -8.680 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.645 -11.468 -7.871 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.429 -9.032 -6.518 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.575 -10.515 -6.894 1.00 0.38 H new ATOM 0 HE ARG A 16 4.139 -11.680 -5.291 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.749 -8.166 -5.135 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.119 -8.085 -3.409 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.539 -11.563 -3.050 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.563 -9.994 -2.239 1.00 0.51 H new ATOM 290 N ASP A 17 7.989 -7.273 -7.246 1.00 0.37 N ATOM 291 CA ASP A 17 9.230 -6.772 -6.699 1.00 0.42 C ATOM 292 C ASP A 17 9.385 -5.306 -7.052 1.00 0.36 C ATOM 293 O ASP A 17 9.780 -4.964 -8.167 1.00 0.46 O ATOM 294 CB ASP A 17 10.412 -7.572 -7.238 1.00 0.60 C ATOM 295 CG ASP A 17 11.641 -7.443 -6.367 1.00 1.16 C ATOM 296 OD1 ASP A 17 11.742 -8.168 -5.355 1.00 1.94 O ATOM 297 OD2 ASP A 17 12.502 -6.596 -6.684 1.00 1.40 O ATOM 0 H ASP A 17 7.905 -7.181 -8.258 1.00 0.37 H new ATOM 0 HA ASP A 17 9.209 -6.880 -5.615 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.132 -8.623 -7.313 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.648 -7.232 -8.247 1.00 0.60 H new ATOM 302 N VAL A 18 9.023 -4.446 -6.117 1.00 0.31 N ATOM 303 CA VAL A 18 9.157 -3.014 -6.317 1.00 0.29 C ATOM 304 C VAL A 18 10.529 -2.549 -5.846 1.00 0.29 C ATOM 305 O VAL A 18 11.001 -2.960 -4.785 1.00 0.35 O ATOM 306 CB VAL A 18 8.034 -2.217 -5.594 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.887 -2.631 -4.136 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.290 -0.723 -5.686 1.00 0.58 C ATOM 0 H VAL A 18 8.634 -4.714 -5.213 1.00 0.31 H new ATOM 0 HA VAL A 18 9.056 -2.817 -7.384 1.00 0.29 H new ATOM 0 HB VAL A 18 7.099 -2.452 -6.103 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.092 -2.049 -3.671 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.640 -3.691 -4.082 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.824 -2.450 -3.610 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.492 -0.185 -5.174 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.246 -0.488 -5.217 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.316 -0.422 -6.733 1.00 0.58 H new ATOM 318 N ASP A 19 11.189 -1.718 -6.644 1.00 0.34 N ATOM 319 CA ASP A 19 12.506 -1.226 -6.277 1.00 0.41 C ATOM 320 C ASP A 19 12.380 -0.078 -5.291 1.00 0.39 C ATOM 321 O ASP A 19 12.324 1.095 -5.669 1.00 0.46 O ATOM 322 CB ASP A 19 13.313 -0.798 -7.499 1.00 0.58 C ATOM 323 CG ASP A 19 14.771 -0.561 -7.160 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.530 -1.549 -7.068 1.00 1.28 O ATOM 325 OD2 ASP A 19 15.171 0.610 -6.997 1.00 1.91 O ATOM 0 H ASP A 19 10.837 -1.376 -7.538 1.00 0.34 H new ATOM 0 HA ASP A 19 13.046 -2.045 -5.803 1.00 0.41 H new ATOM 0 HB2 ASP A 19 13.240 -1.566 -8.269 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.885 0.114 -7.916 1.00 0.58 H new ATOM 330 N CYS A 20 12.281 -0.453 -4.028 1.00 0.38 N ATOM 331 CA CYS A 20 12.110 0.484 -2.931 1.00 0.40 C ATOM 332 C CYS A 20 13.149 1.593 -2.960 1.00 0.38 C ATOM 333 O CYS A 20 12.818 2.764 -2.809 1.00 0.39 O ATOM 334 CB CYS A 20 12.221 -0.265 -1.613 1.00 0.51 C ATOM 335 SG CYS A 20 11.312 -1.840 -1.588 1.00 0.93 S ATOM 0 H CYS A 20 12.317 -1.428 -3.731 1.00 0.38 H new ATOM 0 HA CYS A 20 11.127 0.943 -3.035 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.273 -0.459 -1.403 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.848 0.372 -0.811 1.00 0.51 H new ATOM 340 N ASP A 21 14.400 1.209 -3.159 1.00 0.47 N ATOM 341 CA ASP A 21 15.528 2.132 -3.063 1.00 0.59 C ATOM 342 C ASP A 21 15.332 3.373 -3.930 1.00 0.53 C ATOM 343 O ASP A 21 15.597 4.489 -3.486 1.00 0.64 O ATOM 344 CB ASP A 21 16.818 1.423 -3.457 1.00 0.85 C ATOM 345 CG ASP A 21 17.869 1.492 -2.371 1.00 1.36 C ATOM 346 OD1 ASP A 21 17.844 0.636 -1.460 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.732 2.398 -2.430 1.00 1.66 O ATOM 0 H ASP A 21 14.665 0.252 -3.391 1.00 0.47 H new ATOM 0 HA ASP A 21 15.591 2.462 -2.026 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.601 0.379 -3.683 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.212 1.871 -4.369 1.00 0.85 H new ATOM 352 N ASN A 22 14.863 3.183 -5.156 1.00 0.50 N ATOM 353 CA ASN A 22 14.643 4.308 -6.060 1.00 0.49 C ATOM 354 C ASN A 22 13.322 4.996 -5.772 1.00 0.42 C ATOM 355 O ASN A 22 13.270 6.206 -5.567 1.00 0.43 O ATOM 356 CB ASN A 22 14.652 3.847 -7.516 1.00 0.59 C ATOM 357 CG ASN A 22 14.557 5.009 -8.492 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.132 6.077 -8.270 1.00 1.07 O ATOM 359 ND2 ASN A 22 13.802 4.828 -9.565 1.00 1.14 N ATOM 0 H ASN A 22 14.629 2.270 -5.546 1.00 0.50 H new ATOM 0 HA ASN A 22 15.457 5.014 -5.896 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.566 3.286 -7.711 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.818 3.166 -7.684 1.00 0.59 H new ATOM 0 HD21 ASN A 22 13.682 5.585 -10.238 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.340 3.932 -9.718 1.00 1.14 H new ATOM 366 N ILE A 23 12.258 4.217 -5.756 1.00 0.40 N ATOM 367 CA ILE A 23 10.918 4.765 -5.611 1.00 0.38 C ATOM 368 C ILE A 23 10.745 5.505 -4.283 1.00 0.33 C ATOM 369 O ILE A 23 10.144 6.577 -4.242 1.00 0.34 O ATOM 370 CB ILE A 23 9.842 3.664 -5.769 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.884 3.120 -7.199 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.454 4.197 -5.433 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.809 2.102 -7.505 1.00 0.48 C ATOM 0 H ILE A 23 12.293 3.201 -5.842 1.00 0.40 H new ATOM 0 HA ILE A 23 10.783 5.492 -6.412 1.00 0.38 H new ATOM 0 HB ILE A 23 10.057 2.857 -5.069 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.789 3.953 -7.896 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.859 2.666 -7.375 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.720 3.401 -5.553 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.440 4.551 -4.402 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.209 5.021 -6.103 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.909 1.767 -8.537 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.914 1.249 -6.835 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.828 2.555 -7.364 1.00 0.48 H new ATOM 385 N LEU A 24 11.314 4.970 -3.210 1.00 0.30 N ATOM 386 CA LEU A 24 11.116 5.558 -1.887 1.00 0.29 C ATOM 387 C LEU A 24 12.024 6.761 -1.651 1.00 0.32 C ATOM 388 O LEU A 24 11.818 7.518 -0.699 1.00 0.33 O ATOM 389 CB LEU A 24 11.342 4.527 -0.779 1.00 0.31 C ATOM 390 CG LEU A 24 10.514 3.243 -0.884 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.732 2.373 0.338 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.041 3.552 -1.044 1.00 1.01 C ATOM 0 H LEU A 24 11.909 4.141 -3.226 1.00 0.30 H new ATOM 0 HA LEU A 24 10.081 5.897 -1.856 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.398 4.256 -0.771 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.126 4.999 0.180 1.00 0.31 H new ATOM 0 HG LEU A 24 10.847 2.703 -1.770 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.137 1.464 0.249 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.787 2.110 0.414 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.429 2.919 1.232 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.480 2.620 -1.116 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.693 4.120 -0.181 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.889 4.138 -1.950 1.00 1.01 H new ATOM 404 N SER A 25 13.016 6.958 -2.511 1.00 0.36 N ATOM 405 CA SER A 25 13.939 8.071 -2.328 1.00 0.41 C ATOM 406 C SER A 25 13.437 9.315 -3.052 1.00 0.42 C ATOM 407 O SER A 25 14.102 10.353 -3.069 1.00 0.49 O ATOM 408 CB SER A 25 15.353 7.698 -2.787 1.00 0.50 C ATOM 409 OG SER A 25 15.339 7.064 -4.051 1.00 1.28 O ATOM 0 H SER A 25 13.200 6.374 -3.327 1.00 0.36 H new ATOM 0 HA SER A 25 13.986 8.297 -1.263 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.969 8.596 -2.836 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.812 7.036 -2.052 1.00 0.50 H new ATOM 0 HG SER A 25 15.159 6.108 -3.935 1.00 1.28 H new ATOM 415 N THR A 26 12.251 9.209 -3.637 1.00 0.41 N ATOM 416 CA THR A 26 11.631 10.337 -4.308 1.00 0.46 C ATOM 417 C THR A 26 10.915 11.219 -3.293 1.00 0.45 C ATOM 418 O THR A 26 10.767 10.843 -2.130 1.00 0.45 O ATOM 419 CB THR A 26 10.621 9.875 -5.376 1.00 0.49 C ATOM 420 OG1 THR A 26 9.575 9.113 -4.763 1.00 0.44 O ATOM 421 CG2 THR A 26 11.308 9.039 -6.444 1.00 0.56 C ATOM 0 H THR A 26 11.701 8.350 -3.659 1.00 0.41 H new ATOM 0 HA THR A 26 12.422 10.901 -4.801 1.00 0.46 H new ATOM 0 HB THR A 26 10.195 10.759 -5.850 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.854 8.177 -4.687 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.575 8.724 -7.187 1.00 0.56 H new ATOM 0 HG22 THR A 26 12.083 9.633 -6.928 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.759 8.160 -5.984 1.00 0.56 H new ATOM 429 N ASN A 27 10.445 12.375 -3.739 1.00 0.49 N ATOM 430 CA ASN A 27 9.754 13.319 -2.859 1.00 0.52 C ATOM 431 C ASN A 27 8.433 12.735 -2.347 1.00 0.52 C ATOM 432 O ASN A 27 7.854 13.225 -1.373 1.00 0.67 O ATOM 433 CB ASN A 27 9.513 14.638 -3.604 1.00 0.61 C ATOM 434 CG ASN A 27 8.798 15.678 -2.760 1.00 0.87 C ATOM 435 OD1 ASN A 27 7.573 15.795 -2.803 1.00 1.46 O ATOM 436 ND2 ASN A 27 9.557 16.436 -1.983 1.00 1.53 N ATOM 0 H ASN A 27 10.528 12.686 -4.707 1.00 0.49 H new ATOM 0 HA ASN A 27 10.385 13.510 -1.991 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.470 15.042 -3.934 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.925 14.440 -4.500 1.00 0.61 H new ATOM 0 HD21 ASN A 27 9.130 17.148 -1.391 1.00 1.53 H new ATOM 0 HD22 ASN A 27 10.569 16.307 -1.976 1.00 1.53 H new ATOM 443 N LEU A 28 7.983 11.660 -2.985 1.00 0.48 N ATOM 444 CA LEU A 28 6.714 11.029 -2.642 1.00 0.47 C ATOM 445 C LEU A 28 6.821 10.242 -1.332 1.00 0.45 C ATOM 446 O LEU A 28 5.811 9.953 -0.683 1.00 0.52 O ATOM 447 CB LEU A 28 6.272 10.103 -3.783 1.00 0.47 C ATOM 448 CG LEU A 28 4.882 9.475 -3.632 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.800 10.547 -3.610 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.625 8.486 -4.758 1.00 0.51 C ATOM 0 H LEU A 28 8.483 11.205 -3.748 1.00 0.48 H new ATOM 0 HA LEU A 28 5.968 11.811 -2.501 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.295 10.669 -4.714 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.004 9.301 -3.879 1.00 0.47 H new ATOM 0 HG LEU A 28 4.850 8.942 -2.682 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.823 10.076 -3.502 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.973 11.221 -2.771 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.829 11.113 -4.541 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.634 8.048 -4.638 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.680 9.003 -5.716 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.377 7.697 -4.728 1.00 0.51 H new ATOM 462 N PHE A 29 8.046 9.920 -0.928 1.00 0.42 N ATOM 463 CA PHE A 29 8.270 9.114 0.271 1.00 0.40 C ATOM 464 C PHE A 29 9.356 9.740 1.127 1.00 0.42 C ATOM 465 O PHE A 29 9.349 9.608 2.350 1.00 0.48 O ATOM 466 CB PHE A 29 8.680 7.684 -0.094 1.00 0.36 C ATOM 467 CG PHE A 29 7.677 6.938 -0.926 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.628 6.265 -0.325 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.775 6.922 -2.306 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.696 5.588 -1.083 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.844 6.246 -3.070 1.00 0.39 C ATOM 472 CZ PHE A 29 5.841 5.540 -2.469 1.00 0.42 C ATOM 0 H PHE A 29 8.898 10.203 -1.411 1.00 0.42 H new ATOM 0 HA PHE A 29 7.334 9.080 0.829 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.626 7.718 -0.634 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.857 7.125 0.825 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.538 6.270 0.751 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.587 7.443 -2.790 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.860 5.098 -0.606 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.909 6.276 -4.148 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.163 4.947 -3.065 1.00 0.42 H new ATOM 482 N HIS A 30 10.284 10.414 0.449 1.00 0.43 N ATOM 483 CA HIS A 30 11.432 11.084 1.062 1.00 0.52 C ATOM 484 C HIS A 30 12.136 10.200 2.093 1.00 0.45 C ATOM 485 O HIS A 30 12.559 10.668 3.149 1.00 0.48 O ATOM 486 CB HIS A 30 11.059 12.466 1.638 1.00 0.70 C ATOM 487 CG HIS A 30 10.070 12.478 2.765 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.432 12.430 4.094 1.00 1.78 N ATOM 489 CD2 HIS A 30 8.724 12.575 2.749 1.00 2.07 C ATOM 490 CE1 HIS A 30 9.350 12.495 4.844 1.00 2.74 C ATOM 491 NE2 HIS A 30 8.297 12.585 4.054 1.00 2.97 N ATOM 0 H HIS A 30 10.259 10.512 -0.566 1.00 0.43 H new ATOM 0 HA HIS A 30 12.152 11.262 0.263 1.00 0.52 H new ATOM 0 HB2 HIS A 30 11.973 12.950 1.982 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.660 13.077 0.828 1.00 0.70 H new ATOM 0 HD2 HIS A 30 8.098 12.634 1.871 1.00 2.07 H new ATOM 0 HE1 HIS A 30 9.329 12.478 5.924 1.00 2.74 H new ATOM 0 HE2 HIS A 30 7.327 12.651 4.362 1.00 2.97 H new ATOM 500 N CYS A 31 12.285 8.925 1.744 1.00 0.44 N ATOM 501 CA CYS A 31 13.003 7.949 2.563 1.00 0.45 C ATOM 502 C CYS A 31 12.356 7.767 3.938 1.00 0.40 C ATOM 503 O CYS A 31 12.900 8.194 4.959 1.00 0.47 O ATOM 504 CB CYS A 31 14.476 8.343 2.715 1.00 0.62 C ATOM 505 SG CYS A 31 15.303 8.766 1.140 1.00 1.10 S ATOM 0 H CYS A 31 11.909 8.536 0.879 1.00 0.44 H new ATOM 0 HA CYS A 31 12.946 6.992 2.043 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.545 9.196 3.390 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.014 7.520 3.186 1.00 0.62 H new ATOM 510 N LYS A 32 11.176 7.157 3.952 1.00 0.39 N ATOM 511 CA LYS A 32 10.515 6.786 5.200 1.00 0.43 C ATOM 512 C LYS A 32 11.167 5.535 5.785 1.00 0.45 C ATOM 513 O LYS A 32 12.110 4.995 5.204 1.00 0.55 O ATOM 514 CB LYS A 32 9.010 6.577 4.966 1.00 0.50 C ATOM 515 CG LYS A 32 8.658 5.407 4.054 1.00 0.53 C ATOM 516 CD LYS A 32 7.468 5.737 3.171 1.00 0.90 C ATOM 517 CE LYS A 32 6.220 6.033 3.982 1.00 2.05 C ATOM 518 NZ LYS A 32 5.549 4.798 4.467 1.00 2.72 N ATOM 0 H LYS A 32 10.655 6.908 3.111 1.00 0.39 H new ATOM 0 HA LYS A 32 10.630 7.596 5.921 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.525 6.426 5.930 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.593 7.489 4.539 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.517 5.156 3.432 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.434 4.527 4.657 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.708 6.599 2.548 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.273 4.901 2.499 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.485 6.658 4.835 1.00 2.05 H new ATOM 0 HE3 LYS A 32 5.522 6.606 3.372 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.713 5.055 5.029 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 5.255 4.220 3.654 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 6.209 4.254 5.058 1.00 2.72 H new ATOM 532 N ASP A 33 10.692 5.086 6.936 1.00 0.49 N ATOM 533 CA ASP A 33 11.226 3.872 7.546 1.00 0.54 C ATOM 534 C ASP A 33 10.820 2.655 6.733 1.00 0.48 C ATOM 535 O ASP A 33 11.663 1.895 6.260 1.00 0.51 O ATOM 536 CB ASP A 33 10.729 3.708 8.988 1.00 0.66 C ATOM 537 CG ASP A 33 11.274 4.763 9.928 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.402 4.591 10.434 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.560 5.757 10.187 1.00 2.06 O ATOM 0 H ASP A 33 9.945 5.537 7.465 1.00 0.49 H new ATOM 0 HA ASP A 33 12.312 3.959 7.561 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.640 3.749 8.997 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.014 2.722 9.354 1.00 0.66 H new ATOM 544 N LYS A 34 9.520 2.477 6.576 1.00 0.44 N ATOM 545 CA LYS A 34 8.988 1.335 5.852 1.00 0.41 C ATOM 546 C LYS A 34 7.837 1.767 4.954 1.00 0.38 C ATOM 547 O LYS A 34 7.243 2.825 5.166 1.00 0.43 O ATOM 548 CB LYS A 34 8.486 0.291 6.841 1.00 0.48 C ATOM 549 CG LYS A 34 9.495 -0.097 7.903 1.00 0.95 C ATOM 550 CD LYS A 34 8.793 -0.703 9.099 1.00 1.27 C ATOM 551 CE LYS A 34 9.750 -0.951 10.250 1.00 1.96 C ATOM 552 NZ LYS A 34 10.330 0.314 10.773 1.00 2.60 N ATOM 0 H LYS A 34 8.810 3.112 6.942 1.00 0.44 H new ATOM 0 HA LYS A 34 9.782 0.911 5.237 1.00 0.41 H new ATOM 0 HB2 LYS A 34 7.589 0.672 7.330 1.00 0.48 H new ATOM 0 HB3 LYS A 34 8.193 -0.603 6.290 1.00 0.48 H new ATOM 0 HG2 LYS A 34 10.209 -0.811 7.492 1.00 0.95 H new ATOM 0 HG3 LYS A 34 10.063 0.780 8.212 1.00 0.95 H new ATOM 0 HD2 LYS A 34 7.995 -0.037 9.427 1.00 1.27 H new ATOM 0 HD3 LYS A 34 8.324 -1.643 8.807 1.00 1.27 H new ATOM 0 HE2 LYS A 34 9.225 -1.469 11.053 1.00 1.96 H new ATOM 0 HE3 LYS A 34 10.554 -1.609 9.918 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 10.738 0.146 11.715 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 11.074 0.648 10.128 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 9.584 1.035 10.843 1.00 2.60 H new ATOM 566 N ASN A 35 7.527 0.950 3.960 1.00 0.37 N ATOM 567 CA ASN A 35 6.397 1.210 3.077 1.00 0.36 C ATOM 568 C ASN A 35 5.932 -0.084 2.416 1.00 0.34 C ATOM 569 O ASN A 35 6.658 -0.673 1.616 1.00 0.38 O ATOM 570 CB ASN A 35 6.760 2.227 1.994 1.00 0.36 C ATOM 571 CG ASN A 35 5.528 2.825 1.349 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.982 3.815 1.837 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.086 2.235 0.254 1.00 0.35 N ATOM 0 H ASN A 35 8.043 0.098 3.743 1.00 0.37 H new ATOM 0 HA ASN A 35 5.592 1.621 3.686 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.364 3.022 2.430 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.371 1.744 1.232 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.260 2.598 -0.223 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.570 1.417 -0.115 1.00 0.35 H new ATOM 580 N THR A 36 4.731 -0.526 2.752 1.00 0.32 N ATOM 581 CA THR A 36 4.180 -1.742 2.170 1.00 0.30 C ATOM 582 C THR A 36 3.390 -1.432 0.901 1.00 0.26 C ATOM 583 O THR A 36 2.401 -0.690 0.940 1.00 0.28 O ATOM 584 CB THR A 36 3.264 -2.472 3.171 1.00 0.36 C ATOM 585 OG1 THR A 36 3.974 -2.711 4.394 1.00 0.45 O ATOM 586 CG2 THR A 36 2.773 -3.797 2.598 1.00 0.37 C ATOM 0 H THR A 36 4.119 -0.063 3.424 1.00 0.32 H new ATOM 0 HA THR A 36 5.021 -2.389 1.920 1.00 0.30 H new ATOM 0 HB THR A 36 2.399 -1.839 3.366 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.156 -3.670 4.485 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.129 -4.291 3.325 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.212 -3.612 1.682 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.627 -4.437 2.376 1.00 0.37 H new ATOM 594 N PHE A 37 3.836 -1.986 -0.221 1.00 0.21 N ATOM 595 CA PHE A 37 3.121 -1.843 -1.480 1.00 0.18 C ATOM 596 C PHE A 37 2.246 -3.064 -1.725 1.00 0.18 C ATOM 597 O PHE A 37 2.492 -4.141 -1.178 1.00 0.21 O ATOM 598 CB PHE A 37 4.083 -1.670 -2.660 1.00 0.17 C ATOM 599 CG PHE A 37 4.949 -0.440 -2.601 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.132 -0.454 -1.883 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.597 0.718 -3.284 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.948 0.656 -1.850 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.410 1.830 -3.248 1.00 0.20 C ATOM 604 CZ PHE A 37 6.587 1.795 -2.532 1.00 0.20 C ATOM 0 H PHE A 37 4.691 -2.539 -0.282 1.00 0.21 H new ATOM 0 HA PHE A 37 2.503 -0.948 -1.405 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.728 -2.547 -2.715 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.502 -1.643 -3.582 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.419 -1.344 -1.343 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.677 0.747 -3.849 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.871 0.632 -1.289 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.126 2.726 -3.779 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.228 2.664 -2.506 1.00 0.20 H new ATOM 614 N ILE A 38 1.231 -2.879 -2.545 1.00 0.18 N ATOM 615 CA ILE A 38 0.284 -3.925 -2.870 1.00 0.17 C ATOM 616 C ILE A 38 0.350 -4.239 -4.358 1.00 0.17 C ATOM 617 O ILE A 38 0.143 -3.353 -5.189 1.00 0.18 O ATOM 618 CB ILE A 38 -1.153 -3.473 -2.512 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.235 -3.100 -1.028 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.171 -4.555 -2.859 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.502 -2.364 -0.651 1.00 0.22 C ATOM 0 H ILE A 38 1.039 -1.991 -3.008 1.00 0.18 H new ATOM 0 HA ILE A 38 0.538 -4.815 -2.295 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.394 -2.591 -3.105 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.163 -4.009 -0.430 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.376 -2.480 -0.771 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.171 -4.211 -2.597 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.128 -4.766 -3.928 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -1.942 -5.463 -2.301 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.486 -2.135 0.414 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.568 -1.437 -1.221 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.366 -2.989 -0.875 1.00 0.22 H new ATOM 633 N TYR A 39 0.660 -5.483 -4.693 1.00 0.16 N ATOM 634 CA TYR A 39 0.606 -5.917 -6.076 1.00 0.17 C ATOM 635 C TYR A 39 -0.834 -6.211 -6.451 1.00 0.18 C ATOM 636 O TYR A 39 -1.338 -7.320 -6.257 1.00 0.18 O ATOM 637 CB TYR A 39 1.485 -7.146 -6.334 1.00 0.20 C ATOM 638 CG TYR A 39 1.306 -7.725 -7.724 1.00 0.23 C ATOM 639 CD1 TYR A 39 1.819 -7.071 -8.842 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.645 -8.928 -7.918 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.677 -7.605 -10.106 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.497 -9.466 -9.181 1.00 0.34 C ATOM 643 CZ TYR A 39 0.939 -8.769 -10.275 1.00 0.35 C ATOM 644 OH TYR A 39 0.882 -9.338 -11.533 1.00 0.40 O ATOM 0 H TYR A 39 0.949 -6.202 -4.030 1.00 0.16 H new ATOM 0 HA TYR A 39 0.998 -5.112 -6.698 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.531 -6.873 -6.193 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.253 -7.913 -5.595 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.336 -6.131 -8.717 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.239 -9.454 -7.066 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.136 -7.122 -10.956 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.034 -10.434 -9.306 1.00 0.34 H new ATOM 0 HH TYR A 39 0.331 -10.148 -11.501 1.00 0.40 H new ATOM 654 N SER A 40 -1.492 -5.191 -6.942 1.00 0.23 N ATOM 655 CA SER A 40 -2.867 -5.279 -7.366 1.00 0.26 C ATOM 656 C SER A 40 -3.245 -3.955 -7.986 1.00 0.29 C ATOM 657 O SER A 40 -2.720 -2.912 -7.592 1.00 0.50 O ATOM 658 CB SER A 40 -3.790 -5.597 -6.179 1.00 0.25 C ATOM 659 OG SER A 40 -5.138 -5.744 -6.596 1.00 0.93 O ATOM 0 H SER A 40 -1.083 -4.264 -7.060 1.00 0.23 H new ATOM 0 HA SER A 40 -2.981 -6.086 -8.090 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.456 -6.513 -5.692 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.721 -4.800 -5.439 1.00 0.25 H new ATOM 0 HG SER A 40 -5.700 -5.947 -5.820 1.00 0.93 H new ATOM 665 N ARG A 41 -4.126 -3.984 -8.964 1.00 0.25 N ATOM 666 CA ARG A 41 -4.561 -2.760 -9.593 1.00 0.27 C ATOM 667 C ARG A 41 -5.408 -1.946 -8.630 1.00 0.22 C ATOM 668 O ARG A 41 -6.007 -2.484 -7.699 1.00 0.23 O ATOM 669 CB ARG A 41 -5.321 -3.042 -10.890 1.00 0.33 C ATOM 670 CG ARG A 41 -4.406 -3.448 -12.028 1.00 0.54 C ATOM 671 CD ARG A 41 -3.479 -2.300 -12.387 1.00 1.08 C ATOM 672 NE ARG A 41 -2.368 -2.702 -13.240 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.511 -1.834 -13.773 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.708 -0.527 -13.626 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.467 -2.268 -14.471 1.00 2.66 N ATOM 0 H ARG A 41 -4.550 -4.834 -9.336 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.677 -2.177 -9.853 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.049 -3.834 -10.715 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.881 -2.152 -11.179 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.821 -4.322 -11.741 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.998 -3.733 -12.897 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.053 -1.523 -12.892 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.084 -1.861 -11.471 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.241 -3.695 -13.438 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.517 -0.189 -13.104 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.051 0.137 -14.035 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.320 -3.269 -14.600 1.00 2.66 H new ATOM 0 HH22 ARG A 41 0.188 -1.600 -14.878 1.00 2.66 H new ATOM 689 N PRO A 42 -5.442 -0.632 -8.837 1.00 0.22 N ATOM 690 CA PRO A 42 -6.213 0.290 -8.006 1.00 0.21 C ATOM 691 C PRO A 42 -7.695 -0.066 -7.976 1.00 0.20 C ATOM 692 O PRO A 42 -8.365 0.129 -6.969 1.00 0.23 O ATOM 693 CB PRO A 42 -6.000 1.653 -8.682 1.00 0.24 C ATOM 694 CG PRO A 42 -5.455 1.350 -10.034 1.00 0.25 C ATOM 695 CD PRO A 42 -4.713 0.059 -9.904 1.00 0.30 C ATOM 0 HA PRO A 42 -5.891 0.266 -6.965 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.937 2.206 -8.752 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.307 2.270 -8.110 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.257 1.266 -10.767 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.794 2.147 -10.375 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.724 -0.509 -10.834 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.667 0.219 -9.641 1.00 0.30 H new ATOM 703 N GLU A 43 -8.187 -0.631 -9.069 1.00 0.21 N ATOM 704 CA GLU A 43 -9.601 -0.932 -9.206 1.00 0.25 C ATOM 705 C GLU A 43 -10.056 -2.018 -8.221 1.00 0.23 C ATOM 706 O GLU A 43 -10.951 -1.781 -7.411 1.00 0.24 O ATOM 707 CB GLU A 43 -9.901 -1.332 -10.646 1.00 0.36 C ATOM 708 CG GLU A 43 -9.773 -0.176 -11.619 1.00 0.48 C ATOM 709 CD GLU A 43 -10.673 0.984 -11.250 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.908 0.852 -11.377 1.00 1.99 O ATOM 711 OE2 GLU A 43 -10.140 2.033 -10.832 1.00 2.36 O ATOM 0 H GLU A 43 -7.622 -0.891 -9.878 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.167 -0.034 -8.960 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.221 -2.129 -10.945 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.911 -1.737 -10.702 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.737 0.163 -11.643 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.020 -0.520 -12.624 1.00 0.48 H new ATOM 718 N PRO A 44 -9.444 -3.221 -8.257 1.00 0.24 N ATOM 719 CA PRO A 44 -9.799 -4.310 -7.339 1.00 0.26 C ATOM 720 C PRO A 44 -9.526 -3.966 -5.874 1.00 0.24 C ATOM 721 O PRO A 44 -10.076 -4.596 -4.969 1.00 0.27 O ATOM 722 CB PRO A 44 -8.920 -5.478 -7.792 1.00 0.30 C ATOM 723 CG PRO A 44 -7.815 -4.862 -8.575 1.00 0.36 C ATOM 724 CD PRO A 44 -8.394 -3.628 -9.201 1.00 0.27 C ATOM 0 HA PRO A 44 -10.866 -4.528 -7.378 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.534 -6.033 -6.937 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.487 -6.183 -8.400 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.971 -4.614 -7.931 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.445 -5.549 -9.336 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.641 -2.849 -9.323 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.802 -3.834 -10.190 1.00 0.27 H new ATOM 732 N VAL A 45 -8.691 -2.958 -5.640 1.00 0.20 N ATOM 733 CA VAL A 45 -8.400 -2.518 -4.279 1.00 0.19 C ATOM 734 C VAL A 45 -9.407 -1.452 -3.846 1.00 0.17 C ATOM 735 O VAL A 45 -9.785 -1.377 -2.678 1.00 0.18 O ATOM 736 CB VAL A 45 -6.953 -1.981 -4.144 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.695 -1.431 -2.747 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.950 -3.075 -4.470 1.00 0.23 C ATOM 0 H VAL A 45 -8.207 -2.434 -6.369 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.489 -3.384 -3.623 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.832 -1.165 -4.856 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.671 -1.062 -2.685 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.388 -0.615 -2.544 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.841 -2.222 -2.012 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.938 -2.682 -4.371 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.085 -3.909 -3.781 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.107 -3.420 -5.492 1.00 0.23 H new ATOM 748 N LYS A 46 -9.860 -0.651 -4.800 1.00 0.15 N ATOM 749 CA LYS A 46 -10.893 0.343 -4.540 1.00 0.15 C ATOM 750 C LYS A 46 -12.228 -0.357 -4.309 1.00 0.17 C ATOM 751 O LYS A 46 -13.063 0.108 -3.533 1.00 0.20 O ATOM 752 CB LYS A 46 -11.002 1.312 -5.719 1.00 0.17 C ATOM 753 CG LYS A 46 -11.896 2.512 -5.462 1.00 0.20 C ATOM 754 CD LYS A 46 -11.918 3.439 -6.663 1.00 0.27 C ATOM 755 CE LYS A 46 -12.662 4.729 -6.368 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.723 5.621 -7.557 1.00 1.36 N ATOM 0 H LYS A 46 -9.528 -0.670 -5.764 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.627 0.911 -3.648 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -10.004 1.666 -5.976 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.381 0.770 -6.585 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.908 2.175 -5.239 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.541 3.054 -4.586 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.896 3.670 -6.962 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.390 2.932 -7.505 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.674 4.496 -6.037 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.170 5.252 -5.547 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.239 6.490 -7.313 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.758 5.864 -7.858 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.215 5.133 -8.332 1.00 1.36 H new ATOM 770 N ALA A 47 -12.401 -1.495 -4.976 1.00 0.18 N ATOM 771 CA ALA A 47 -13.614 -2.295 -4.855 1.00 0.22 C ATOM 772 C ALA A 47 -13.790 -2.832 -3.437 1.00 0.22 C ATOM 773 O ALA A 47 -14.897 -3.200 -3.038 1.00 0.27 O ATOM 774 CB ALA A 47 -13.596 -3.439 -5.857 1.00 0.26 C ATOM 0 H ALA A 47 -11.707 -1.886 -5.613 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.463 -1.648 -5.073 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.508 -4.027 -5.754 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.536 -3.036 -6.868 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.731 -4.075 -5.668 1.00 0.26 H new ATOM 780 N ILE A 48 -12.700 -2.872 -2.677 1.00 0.20 N ATOM 781 CA ILE A 48 -12.759 -3.279 -1.280 1.00 0.21 C ATOM 782 C ILE A 48 -13.589 -2.272 -0.487 1.00 0.21 C ATOM 783 O ILE A 48 -14.302 -2.631 0.450 1.00 0.23 O ATOM 784 CB ILE A 48 -11.347 -3.393 -0.663 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.488 -4.338 -1.508 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.428 -3.890 0.775 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.043 -4.394 -1.074 1.00 0.21 C ATOM 0 H ILE A 48 -11.766 -2.627 -3.006 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.226 -4.263 -1.234 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.886 -2.405 -0.655 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.912 -5.341 -1.460 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.533 -4.022 -2.550 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.423 -3.964 1.192 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.017 -3.191 1.369 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.902 -4.872 0.795 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.496 -5.083 -1.718 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.602 -3.400 -1.149 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.986 -4.739 -0.042 1.00 0.21 H new ATOM 799 N CYS A 49 -13.524 -1.019 -0.910 1.00 0.20 N ATOM 800 CA CYS A 49 -14.226 0.063 -0.238 1.00 0.21 C ATOM 801 C CYS A 49 -15.489 0.470 -0.991 1.00 0.25 C ATOM 802 O CYS A 49 -16.132 1.466 -0.651 1.00 0.25 O ATOM 803 CB CYS A 49 -13.289 1.257 -0.099 1.00 0.19 C ATOM 804 SG CYS A 49 -11.862 0.930 0.977 1.00 0.18 S ATOM 0 H CYS A 49 -12.986 -0.725 -1.725 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.534 -0.286 0.748 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.931 1.546 -1.087 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.848 2.104 0.298 1.00 0.19 H new ATOM 809 N LYS A 50 -15.843 -0.306 -2.007 1.00 0.32 N ATOM 810 CA LYS A 50 -17.008 -0.007 -2.832 1.00 0.40 C ATOM 811 C LYS A 50 -18.282 -0.019 -1.993 1.00 0.39 C ATOM 812 O LYS A 50 -18.704 -1.063 -1.498 1.00 0.47 O ATOM 813 CB LYS A 50 -17.122 -1.007 -3.985 1.00 0.54 C ATOM 814 CG LYS A 50 -18.292 -0.728 -4.912 1.00 0.68 C ATOM 815 CD LYS A 50 -18.328 -1.683 -6.094 1.00 0.92 C ATOM 816 CE LYS A 50 -17.096 -1.539 -6.974 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.209 -2.344 -8.220 1.00 2.33 N ATOM 0 H LYS A 50 -15.339 -1.150 -2.281 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.880 0.992 -3.250 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.198 -0.990 -4.563 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.224 -2.012 -3.576 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.224 -0.809 -4.353 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.228 0.297 -5.277 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.397 -2.708 -5.731 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.223 -1.494 -6.687 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -16.954 -0.489 -7.231 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.213 -1.853 -6.417 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -16.350 -2.219 -8.793 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -17.319 -3.349 -7.975 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.037 -2.027 -8.764 1.00 2.33 H new ATOM 831 N GLY A 51 -18.876 1.154 -1.827 1.00 0.36 N ATOM 832 CA GLY A 51 -20.115 1.263 -1.086 1.00 0.38 C ATOM 833 C GLY A 51 -19.920 1.829 0.306 1.00 0.37 C ATOM 834 O GLY A 51 -20.888 2.078 1.021 1.00 0.44 O ATOM 0 H GLY A 51 -18.519 2.036 -2.195 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.808 1.898 -1.638 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.576 0.278 -1.011 1.00 0.38 H new ATOM 838 N ILE A 52 -18.673 2.047 0.692 1.00 0.31 N ATOM 839 CA ILE A 52 -18.379 2.557 2.023 1.00 0.29 C ATOM 840 C ILE A 52 -18.108 4.055 1.957 1.00 0.29 C ATOM 841 O ILE A 52 -16.984 4.481 1.688 1.00 0.27 O ATOM 842 CB ILE A 52 -17.157 1.854 2.659 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.209 0.335 2.435 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.091 2.164 4.149 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.441 -0.336 3.007 1.00 0.33 C ATOM 0 H ILE A 52 -17.853 1.881 0.108 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.251 2.354 2.645 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.258 2.235 2.174 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.164 0.135 1.364 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.323 -0.117 2.881 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.227 1.664 4.587 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.999 3.241 4.293 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -18.000 1.810 4.635 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.399 -1.406 2.805 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.479 -0.171 4.084 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.333 0.086 2.544 1.00 0.33 H new ATOM 857 N ILE A 53 -19.144 4.851 2.178 1.00 0.33 N ATOM 858 CA ILE A 53 -19.031 6.298 2.098 1.00 0.35 C ATOM 859 C ILE A 53 -18.482 6.868 3.403 1.00 0.34 C ATOM 860 O ILE A 53 -17.592 7.723 3.393 1.00 0.35 O ATOM 861 CB ILE A 53 -20.400 6.947 1.764 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.793 6.691 0.300 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.373 8.446 2.037 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.984 5.236 -0.076 1.00 0.55 C ATOM 0 H ILE A 53 -20.077 4.515 2.415 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.335 6.534 1.293 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.146 6.485 2.410 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.719 7.227 0.091 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.025 7.118 -0.345 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.344 8.877 1.795 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.151 8.620 3.090 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.605 8.914 1.422 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.259 5.165 -1.128 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.055 4.691 0.094 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.775 4.803 0.536 1.00 0.55 H new ATOM 876 N ALA A 54 -19.002 6.386 4.520 1.00 0.37 N ATOM 877 CA ALA A 54 -18.532 6.824 5.822 1.00 0.38 C ATOM 878 C ALA A 54 -17.207 6.155 6.164 1.00 0.33 C ATOM 879 O ALA A 54 -17.034 4.964 5.917 1.00 0.32 O ATOM 880 CB ALA A 54 -19.572 6.527 6.892 1.00 0.46 C ATOM 0 H ALA A 54 -19.749 5.692 4.550 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.374 7.902 5.786 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.203 6.862 7.861 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.498 7.052 6.655 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.762 5.454 6.927 1.00 0.46 H new ATOM 886 N SER A 55 -16.280 6.939 6.705 1.00 0.34 N ATOM 887 CA SER A 55 -14.959 6.448 7.088 1.00 0.34 C ATOM 888 C SER A 55 -15.050 5.200 7.967 1.00 0.32 C ATOM 889 O SER A 55 -15.461 5.272 9.129 1.00 0.36 O ATOM 890 CB SER A 55 -14.193 7.557 7.808 1.00 0.41 C ATOM 891 OG SER A 55 -15.020 8.202 8.765 1.00 1.42 O ATOM 0 H SER A 55 -16.422 7.932 6.891 1.00 0.34 H new ATOM 0 HA SER A 55 -14.424 6.164 6.182 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.316 7.138 8.302 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.832 8.286 7.082 1.00 0.41 H new ATOM 0 HG SER A 55 -15.509 7.528 9.282 1.00 1.42 H new ATOM 897 N LYS A 56 -14.679 4.065 7.398 1.00 0.30 N ATOM 898 CA LYS A 56 -14.715 2.798 8.114 1.00 0.31 C ATOM 899 C LYS A 56 -13.494 1.956 7.762 1.00 0.29 C ATOM 900 O LYS A 56 -13.151 1.805 6.589 1.00 0.27 O ATOM 901 CB LYS A 56 -15.998 2.035 7.766 1.00 0.34 C ATOM 902 CG LYS A 56 -16.095 0.657 8.406 1.00 0.40 C ATOM 903 CD LYS A 56 -17.316 -0.097 7.910 1.00 0.51 C ATOM 904 CE LYS A 56 -17.374 -1.509 8.471 1.00 0.94 C ATOM 905 NZ LYS A 56 -17.555 -1.520 9.945 1.00 1.71 N ATOM 0 H LYS A 56 -14.347 3.994 6.436 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.702 3.001 9.185 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.857 2.629 8.077 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.061 1.926 6.683 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.195 0.085 8.180 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.144 0.760 9.490 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.218 0.445 8.195 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.300 -0.139 6.821 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.195 -2.051 8.002 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -16.456 -2.038 8.215 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -17.708 -2.496 10.269 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -16.705 -1.133 10.402 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.379 -0.939 10.198 1.00 1.71 H new ATOM 919 N ASN A 57 -12.837 1.421 8.779 1.00 0.36 N ATOM 920 CA ASN A 57 -11.692 0.545 8.576 1.00 0.37 C ATOM 921 C ASN A 57 -12.176 -0.859 8.251 1.00 0.33 C ATOM 922 O ASN A 57 -12.807 -1.513 9.085 1.00 0.41 O ATOM 923 CB ASN A 57 -10.808 0.502 9.829 1.00 0.50 C ATOM 924 CG ASN A 57 -10.181 1.844 10.168 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.909 2.663 9.290 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.936 2.075 11.451 1.00 1.13 N ATOM 0 H ASN A 57 -13.078 1.579 9.758 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.102 0.936 7.747 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.406 0.164 10.675 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.017 -0.234 9.683 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.508 2.955 11.738 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.175 1.372 12.150 1.00 1.13 H new ATOM 933 N VAL A 58 -11.905 -1.319 7.039 1.00 0.28 N ATOM 934 CA VAL A 58 -12.356 -2.634 6.622 1.00 0.27 C ATOM 935 C VAL A 58 -11.172 -3.559 6.357 1.00 0.25 C ATOM 936 O VAL A 58 -10.152 -3.153 5.797 1.00 0.25 O ATOM 937 CB VAL A 58 -13.265 -2.572 5.371 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.375 -1.550 5.553 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.466 -2.279 4.113 1.00 0.57 C ATOM 0 H VAL A 58 -11.379 -0.804 6.333 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.947 -3.036 7.445 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.721 -3.555 5.252 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.999 -1.527 4.659 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.985 -1.824 6.414 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.939 -0.564 5.717 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.138 -2.243 3.255 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.960 -1.319 4.218 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.726 -3.064 3.961 1.00 0.57 H new ATOM 949 N LEU A 59 -11.312 -4.796 6.791 1.00 0.28 N ATOM 950 CA LEU A 59 -10.283 -5.804 6.616 1.00 0.26 C ATOM 951 C LEU A 59 -10.632 -6.681 5.414 1.00 0.26 C ATOM 952 O LEU A 59 -11.795 -7.049 5.224 1.00 0.30 O ATOM 953 CB LEU A 59 -10.185 -6.625 7.912 1.00 0.30 C ATOM 954 CG LEU A 59 -8.976 -7.551 8.071 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.208 -8.882 7.393 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.724 -6.889 7.540 1.00 0.67 C ATOM 0 H LEU A 59 -12.144 -5.132 7.276 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.314 -5.346 6.419 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.190 -5.930 8.752 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.087 -7.232 7.995 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.840 -7.742 9.136 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.331 -9.515 7.525 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.077 -9.369 7.835 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.384 -8.723 6.329 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.876 -7.563 7.662 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.855 -6.658 6.483 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.537 -5.968 8.092 1.00 0.67 H new ATOM 968 N THR A 60 -9.634 -7.004 4.604 1.00 0.22 N ATOM 969 CA THR A 60 -9.860 -7.735 3.362 1.00 0.22 C ATOM 970 C THR A 60 -10.173 -9.205 3.614 1.00 0.24 C ATOM 971 O THR A 60 -9.671 -9.818 4.551 1.00 0.33 O ATOM 972 CB THR A 60 -8.651 -7.614 2.410 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.452 -8.015 3.081 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.495 -6.189 1.906 1.00 0.24 C ATOM 0 H THR A 60 -8.657 -6.771 4.784 1.00 0.22 H new ATOM 0 HA THR A 60 -10.729 -7.278 2.888 1.00 0.22 H new ATOM 0 HB THR A 60 -8.829 -8.269 1.557 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.184 -8.904 2.768 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.636 -6.132 1.237 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.395 -5.893 1.367 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.342 -5.519 2.752 1.00 0.24 H new ATOM 982 N THR A 61 -11.005 -9.756 2.751 1.00 0.27 N ATOM 983 CA THR A 61 -11.488 -11.120 2.882 1.00 0.33 C ATOM 984 C THR A 61 -10.424 -12.153 2.515 1.00 0.33 C ATOM 985 O THR A 61 -10.517 -13.320 2.897 1.00 0.43 O ATOM 986 CB THR A 61 -12.714 -11.298 1.981 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.474 -10.655 0.718 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.946 -10.691 2.631 1.00 0.46 C ATOM 0 H THR A 61 -11.368 -9.267 1.933 1.00 0.27 H new ATOM 0 HA THR A 61 -11.748 -11.287 3.927 1.00 0.33 H new ATOM 0 HB THR A 61 -12.887 -12.363 1.829 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.256 -10.769 0.139 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.807 -10.827 1.977 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.134 -11.183 3.585 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.782 -9.626 2.798 1.00 0.46 H new ATOM 996 N SER A 62 -9.414 -11.714 1.789 1.00 0.28 N ATOM 997 CA SER A 62 -8.368 -12.603 1.316 1.00 0.31 C ATOM 998 C SER A 62 -7.020 -11.903 1.397 1.00 0.26 C ATOM 999 O SER A 62 -6.947 -10.719 1.744 1.00 0.24 O ATOM 1000 CB SER A 62 -8.649 -13.043 -0.124 1.00 0.41 C ATOM 1001 OG SER A 62 -7.823 -14.131 -0.507 1.00 1.09 O ATOM 0 H SER A 62 -9.295 -10.740 1.512 1.00 0.28 H new ATOM 0 HA SER A 62 -8.348 -13.490 1.950 1.00 0.31 H new ATOM 0 HB2 SER A 62 -9.696 -13.329 -0.220 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.484 -12.204 -0.800 1.00 0.41 H new ATOM 0 HG SER A 62 -8.028 -14.389 -1.430 1.00 1.09 H new ATOM 1007 N GLU A 63 -5.969 -12.627 1.058 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.622 -12.086 1.117 1.00 0.23 C ATOM 1009 C GLU A 63 -4.217 -11.558 -0.245 1.00 0.24 C ATOM 1010 O GLU A 63 -4.519 -12.167 -1.275 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.607 -13.142 1.572 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.014 -13.893 2.826 1.00 0.34 C ATOM 1013 CD GLU A 63 -3.150 -15.112 3.071 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -3.030 -15.952 2.155 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -2.599 -15.240 4.185 1.00 2.06 O ATOM 0 H GLU A 63 -6.022 -13.594 0.738 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.624 -11.276 1.847 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.458 -13.859 0.764 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.647 -12.656 1.748 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.948 -13.225 3.685 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.056 -14.200 2.741 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.552 -10.423 -0.248 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.041 -9.849 -1.474 1.00 0.17 C ATOM 1024 C PHE A 64 -1.535 -10.000 -1.522 1.00 0.16 C ATOM 1025 O PHE A 64 -0.895 -10.286 -0.507 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.428 -8.376 -1.593 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.882 -8.155 -1.906 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.837 -8.286 -0.912 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.294 -7.822 -3.187 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.177 -8.090 -1.189 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.632 -7.627 -3.471 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.564 -7.730 -2.500 1.00 0.28 C ATOM 0 H PHE A 64 -3.352 -9.877 0.590 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.483 -10.382 -2.315 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.186 -7.870 -0.659 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.823 -7.913 -2.373 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.531 -8.544 0.091 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.560 -7.714 -3.972 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -7.919 -8.210 -0.413 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.935 -7.390 -4.480 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.603 -7.538 -2.724 1.00 0.28 H new ATOM 1042 N TYR A 65 -0.978 -9.807 -2.699 1.00 0.17 N ATOM 1043 CA TYR A 65 0.450 -9.951 -2.892 1.00 0.16 C ATOM 1044 C TYR A 65 1.151 -8.664 -2.497 1.00 0.16 C ATOM 1045 O TYR A 65 1.127 -7.681 -3.228 1.00 0.18 O ATOM 1046 CB TYR A 65 0.751 -10.309 -4.345 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.015 -11.517 -4.826 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.272 -12.785 -4.337 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.038 -11.387 -5.755 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.437 -13.891 -4.762 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.755 -12.488 -6.184 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.450 -13.737 -5.685 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.167 -14.836 -6.105 1.00 0.66 O ATOM 0 H TYR A 65 -1.495 -9.549 -3.540 1.00 0.17 H new ATOM 0 HA TYR A 65 0.820 -10.758 -2.260 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.511 -9.457 -4.981 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.819 -10.496 -4.453 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.063 -12.908 -3.612 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.277 -10.410 -6.149 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.200 -14.871 -4.374 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.550 -12.371 -6.906 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.845 -14.556 -6.755 1.00 0.66 H new ATOM 1063 N LEU A 66 1.757 -8.673 -1.329 1.00 0.15 N ATOM 1064 CA LEU A 66 2.343 -7.474 -0.766 1.00 0.16 C ATOM 1065 C LEU A 66 3.851 -7.460 -0.961 1.00 0.16 C ATOM 1066 O LEU A 66 4.491 -8.512 -1.061 1.00 0.20 O ATOM 1067 CB LEU A 66 2.014 -7.379 0.723 1.00 0.18 C ATOM 1068 CG LEU A 66 0.524 -7.461 1.062 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.312 -7.360 2.562 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.256 -6.371 0.341 1.00 0.19 C ATOM 0 H LEU A 66 1.857 -9.504 -0.746 1.00 0.15 H new ATOM 0 HA LEU A 66 1.920 -6.614 -1.286 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.535 -8.180 1.247 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.408 -6.438 1.108 1.00 0.18 H new ATOM 0 HG LEU A 66 0.152 -8.428 0.724 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.754 -7.420 2.784 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.833 -8.178 3.059 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.704 -6.409 2.922 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.313 -6.449 0.597 1.00 0.19 H new ATOM 0 HD22 LEU A 66 0.119 -5.394 0.644 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.134 -6.488 -0.736 1.00 0.19 H new ATOM 1082 N SER A 67 4.405 -6.269 -1.042 1.00 0.17 N ATOM 1083 CA SER A 67 5.839 -6.098 -1.090 1.00 0.18 C ATOM 1084 C SER A 67 6.240 -5.081 -0.029 1.00 0.22 C ATOM 1085 O SER A 67 5.926 -3.892 -0.139 1.00 0.26 O ATOM 1086 CB SER A 67 6.261 -5.629 -2.484 1.00 0.22 C ATOM 1087 OG SER A 67 5.735 -6.490 -3.484 1.00 0.29 O ATOM 0 H SER A 67 3.876 -5.397 -1.076 1.00 0.17 H new ATOM 0 HA SER A 67 6.341 -7.045 -0.889 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.910 -4.611 -2.652 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.349 -5.606 -2.552 1.00 0.22 H new ATOM 0 HG SER A 67 6.471 -6.878 -4.002 1.00 0.29 H new ATOM 1093 N ASP A 68 6.908 -5.557 1.006 1.00 0.26 N ATOM 1094 CA ASP A 68 7.256 -4.718 2.141 1.00 0.34 C ATOM 1095 C ASP A 68 8.615 -4.085 1.948 1.00 0.29 C ATOM 1096 O ASP A 68 9.638 -4.770 1.956 1.00 0.34 O ATOM 1097 CB ASP A 68 7.264 -5.522 3.444 1.00 0.46 C ATOM 1098 CG ASP A 68 5.879 -5.925 3.902 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.168 -5.075 4.479 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.486 -7.088 3.659 1.00 2.01 O ATOM 0 H ASP A 68 7.222 -6.524 1.085 1.00 0.26 H new ATOM 0 HA ASP A 68 6.497 -3.938 2.207 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.870 -6.418 3.307 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.741 -4.931 4.226 1.00 0.46 H new ATOM 1105 N CYS A 69 8.628 -2.782 1.772 1.00 0.28 N ATOM 1106 CA CYS A 69 9.874 -2.054 1.704 1.00 0.26 C ATOM 1107 C CYS A 69 10.266 -1.601 3.094 1.00 0.30 C ATOM 1108 O CYS A 69 9.538 -0.854 3.742 1.00 0.35 O ATOM 1109 CB CYS A 69 9.727 -0.857 0.773 1.00 0.25 C ATOM 1110 SG CYS A 69 9.459 -1.314 -0.965 1.00 0.62 S ATOM 0 H CYS A 69 7.791 -2.207 1.674 1.00 0.28 H new ATOM 0 HA CYS A 69 10.656 -2.703 1.308 1.00 0.26 H new ATOM 0 HB2 CYS A 69 8.891 -0.245 1.112 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.623 -0.240 0.844 1.00 0.25 H new ATOM 1115 N ASN A 70 11.411 -2.062 3.554 1.00 0.35 N ATOM 1116 CA ASN A 70 11.862 -1.754 4.896 1.00 0.42 C ATOM 1117 C ASN A 70 13.306 -1.306 4.880 1.00 0.44 C ATOM 1118 O ASN A 70 14.132 -1.850 4.143 1.00 0.49 O ATOM 1119 CB ASN A 70 11.675 -2.968 5.821 1.00 0.51 C ATOM 1120 CG ASN A 70 12.387 -4.215 5.322 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.533 -4.481 5.684 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.711 -4.996 4.487 1.00 1.08 N ATOM 0 H ASN A 70 12.047 -2.652 3.018 1.00 0.35 H new ATOM 0 HA ASN A 70 11.256 -0.935 5.285 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.045 -2.719 6.816 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.611 -3.180 5.921 1.00 0.51 H new ATOM 0 HD21 ASN A 70 12.140 -5.847 4.125 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.763 -4.744 4.208 1.00 1.08 H new ATOM 1129 N VAL A 71 13.586 -0.280 5.665 1.00 0.47 N ATOM 1130 CA VAL A 71 14.927 0.262 5.774 1.00 0.51 C ATOM 1131 C VAL A 71 15.833 -0.697 6.542 1.00 0.56 C ATOM 1132 O VAL A 71 15.418 -1.309 7.530 1.00 0.60 O ATOM 1133 CB VAL A 71 14.899 1.653 6.452 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.437 1.562 7.900 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.255 2.332 6.353 1.00 0.82 C ATOM 0 H VAL A 71 12.893 0.198 6.241 1.00 0.47 H new ATOM 0 HA VAL A 71 15.332 0.382 4.769 1.00 0.51 H new ATOM 0 HB VAL A 71 14.173 2.265 5.917 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.430 2.558 8.343 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.432 1.142 7.935 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.118 0.921 8.460 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.209 3.308 6.837 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.007 1.717 6.847 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.523 2.459 5.304 1.00 0.82 H new ATOM 1145 N THR A 72 17.055 -0.849 6.060 1.00 0.58 N ATOM 1146 CA THR A 72 18.023 -1.722 6.694 1.00 0.64 C ATOM 1147 C THR A 72 18.810 -0.961 7.760 1.00 0.75 C ATOM 1148 O THR A 72 18.237 -0.207 8.548 1.00 0.93 O ATOM 1149 CB THR A 72 18.987 -2.312 5.644 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.642 -1.256 4.929 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.238 -3.203 4.665 1.00 0.78 C ATOM 0 H THR A 72 17.400 -0.375 5.226 1.00 0.58 H new ATOM 0 HA THR A 72 17.485 -2.540 7.173 1.00 0.64 H new ATOM 0 HB THR A 72 19.732 -2.913 6.165 1.00 0.71 H new ATOM 0 HG1 THR A 72 20.364 -1.630 4.382 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.937 -3.608 3.934 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.765 -4.022 5.207 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.474 -2.618 4.152 1.00 0.78 H new ATOM 1159 N SER A 73 20.121 -1.142 7.775 1.00 0.86 N ATOM 1160 CA SER A 73 20.969 -0.496 8.761 1.00 1.02 C ATOM 1161 C SER A 73 21.438 0.865 8.258 1.00 0.90 C ATOM 1162 O SER A 73 22.063 1.631 8.992 1.00 0.99 O ATOM 1163 CB SER A 73 22.156 -1.390 9.092 1.00 1.33 C ATOM 1164 OG SER A 73 21.720 -2.668 9.524 1.00 1.87 O ATOM 0 H SER A 73 20.622 -1.734 7.112 1.00 0.86 H new ATOM 0 HA SER A 73 20.390 -0.336 9.671 1.00 1.02 H new ATOM 0 HB2 SER A 73 22.793 -1.496 8.214 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.761 -0.925 9.870 1.00 1.33 H new ATOM 0 HG SER A 73 22.498 -3.227 9.730 1.00 1.87 H new ATOM 1170 N ARG A 74 21.125 1.160 7.000 1.00 0.81 N ATOM 1171 CA ARG A 74 21.456 2.433 6.406 1.00 0.76 C ATOM 1172 C ARG A 74 20.174 3.196 6.077 1.00 0.68 C ATOM 1173 O ARG A 74 19.229 2.617 5.547 1.00 0.63 O ATOM 1174 CB ARG A 74 22.284 2.216 5.140 1.00 0.88 C ATOM 1175 CG ARG A 74 22.414 3.473 4.310 1.00 1.40 C ATOM 1176 CD ARG A 74 23.107 3.219 2.983 1.00 1.55 C ATOM 1177 NE ARG A 74 24.383 2.529 3.151 1.00 2.35 N ATOM 1178 CZ ARG A 74 25.137 2.095 2.143 1.00 2.74 C ATOM 1179 NH1 ARG A 74 24.819 2.394 0.889 1.00 2.41 N ATOM 1180 NH2 ARG A 74 26.232 1.397 2.393 1.00 3.76 N ATOM 0 H ARG A 74 20.637 0.520 6.373 1.00 0.81 H new ATOM 0 HA ARG A 74 22.044 3.019 7.112 1.00 0.76 H new ATOM 0 HB2 ARG A 74 23.277 1.862 5.416 1.00 0.88 H new ATOM 0 HB3 ARG A 74 21.823 1.433 4.538 1.00 0.88 H new ATOM 0 HG2 ARG A 74 21.423 3.888 4.126 1.00 1.40 H new ATOM 0 HG3 ARG A 74 22.974 4.221 4.872 1.00 1.40 H new ATOM 0 HD2 ARG A 74 22.456 2.624 2.343 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.273 4.168 2.474 1.00 1.55 H new ATOM 0 HE ARG A 74 24.718 2.369 4.101 1.00 2.35 H new ATOM 0 HH11 ARG A 74 23.993 2.959 0.693 1.00 2.41 H new ATOM 0 HH12 ARG A 74 25.401 2.058 0.121 1.00 2.41 H new ATOM 0 HH21 ARG A 74 26.497 1.192 3.356 1.00 3.76 H new ATOM 0 HH22 ARG A 74 26.811 1.063 1.622 1.00 3.76 H new ATOM 1194 N PRO A 75 20.124 4.501 6.384 1.00 0.74 N ATOM 1195 CA PRO A 75 18.939 5.325 6.123 1.00 0.74 C ATOM 1196 C PRO A 75 18.651 5.463 4.629 1.00 0.65 C ATOM 1197 O PRO A 75 19.566 5.689 3.833 1.00 0.70 O ATOM 1198 CB PRO A 75 19.295 6.682 6.735 1.00 0.92 C ATOM 1199 CG PRO A 75 20.783 6.705 6.800 1.00 1.05 C ATOM 1200 CD PRO A 75 21.218 5.277 6.991 1.00 0.92 C ATOM 0 HA PRO A 75 18.036 4.885 6.547 1.00 0.74 H new ATOM 0 HB2 PRO A 75 18.915 7.501 6.124 1.00 0.92 H new ATOM 0 HB3 PRO A 75 18.856 6.794 7.726 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.206 7.122 5.886 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.127 7.330 7.624 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.171 5.079 6.501 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.346 5.034 8.046 1.00 0.92 H new ATOM 1208 N CYS A 76 17.378 5.311 4.264 1.00 0.57 N ATOM 1209 CA CYS A 76 16.928 5.395 2.872 1.00 0.52 C ATOM 1210 C CYS A 76 17.499 4.246 2.034 1.00 0.51 C ATOM 1211 O CYS A 76 17.499 4.289 0.803 1.00 0.55 O ATOM 1212 CB CYS A 76 17.297 6.752 2.261 1.00 0.58 C ATOM 1213 SG CYS A 76 16.431 7.133 0.702 1.00 1.55 S ATOM 0 H CYS A 76 16.626 5.125 4.927 1.00 0.57 H new ATOM 0 HA CYS A 76 15.842 5.303 2.867 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.077 7.536 2.986 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.372 6.776 2.081 1.00 0.58 H new ATOM 1218 N LYS A 77 17.979 3.215 2.712 1.00 0.50 N ATOM 1219 CA LYS A 77 18.408 1.991 2.056 1.00 0.50 C ATOM 1220 C LYS A 77 17.436 0.879 2.420 1.00 0.47 C ATOM 1221 O LYS A 77 17.253 0.571 3.597 1.00 0.51 O ATOM 1222 CB LYS A 77 19.839 1.629 2.473 1.00 0.60 C ATOM 1223 CG LYS A 77 20.279 0.244 2.023 1.00 1.30 C ATOM 1224 CD LYS A 77 20.115 0.067 0.526 1.00 1.57 C ATOM 1225 CE LYS A 77 20.016 -1.399 0.153 1.00 2.24 C ATOM 1226 NZ LYS A 77 19.492 -1.580 -1.224 1.00 2.60 N ATOM 0 H LYS A 77 18.082 3.203 3.727 1.00 0.50 H new ATOM 0 HA LYS A 77 18.409 2.131 0.975 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.525 2.369 2.062 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.917 1.690 3.558 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.322 0.086 2.297 1.00 1.30 H new ATOM 0 HG3 LYS A 77 19.694 -0.512 2.546 1.00 1.30 H new ATOM 0 HD2 LYS A 77 19.220 0.591 0.192 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.961 0.520 0.009 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.000 -1.862 0.232 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.365 -1.912 0.861 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 18.915 -2.444 -1.265 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 18.907 -0.760 -1.483 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.287 -1.663 -1.890 1.00 2.60 H new ATOM 1240 N TYR A 78 16.800 0.285 1.418 1.00 0.45 N ATOM 1241 CA TYR A 78 15.715 -0.645 1.677 1.00 0.47 C ATOM 1242 C TYR A 78 16.011 -2.043 1.172 1.00 0.52 C ATOM 1243 O TYR A 78 16.843 -2.247 0.287 1.00 0.59 O ATOM 1244 CB TYR A 78 14.432 -0.146 1.026 1.00 0.48 C ATOM 1245 CG TYR A 78 14.036 1.234 1.472 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.274 1.420 2.616 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.420 2.351 0.746 1.00 0.74 C ATOM 1248 CE1 TYR A 78 12.909 2.683 3.027 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.060 3.617 1.150 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.312 3.777 2.294 1.00 1.17 C ATOM 1251 OH TYR A 78 12.955 5.032 2.702 1.00 1.44 O ATOM 0 H TYR A 78 17.015 0.430 0.431 1.00 0.45 H new ATOM 0 HA TYR A 78 15.600 -0.698 2.760 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.558 -0.148 -0.057 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.623 -0.840 1.254 1.00 0.48 H new ATOM 0 HD1 TYR A 78 12.962 0.562 3.193 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.010 2.226 -0.150 1.00 0.74 H new ATOM 0 HE1 TYR A 78 12.312 2.814 3.917 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.363 4.478 0.573 1.00 0.99 H new ATOM 0 HH TYR A 78 12.428 4.971 3.526 1.00 1.44 H new ATOM 1261 N LYS A 79 15.308 -2.994 1.756 1.00 0.53 N ATOM 1262 CA LYS A 79 15.323 -4.372 1.309 1.00 0.58 C ATOM 1263 C LYS A 79 13.897 -4.794 0.986 1.00 0.46 C ATOM 1264 O LYS A 79 12.973 -4.487 1.744 1.00 0.47 O ATOM 1265 CB LYS A 79 15.912 -5.264 2.402 1.00 0.78 C ATOM 1266 CG LYS A 79 15.819 -6.750 2.120 1.00 1.39 C ATOM 1267 CD LYS A 79 16.307 -7.555 3.312 1.00 2.02 C ATOM 1268 CE LYS A 79 15.559 -7.167 4.579 1.00 2.63 C ATOM 1269 NZ LYS A 79 16.230 -7.673 5.804 1.00 3.52 N ATOM 0 H LYS A 79 14.705 -2.829 2.562 1.00 0.53 H new ATOM 0 HA LYS A 79 15.941 -4.471 0.417 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.960 -4.999 2.544 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.400 -5.053 3.341 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.787 -7.018 1.892 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.414 -6.996 1.241 1.00 1.39 H new ATOM 0 HD2 LYS A 79 16.170 -8.619 3.117 1.00 2.02 H new ATOM 0 HD3 LYS A 79 17.375 -7.391 3.452 1.00 2.02 H new ATOM 0 HE2 LYS A 79 15.478 -6.081 4.633 1.00 2.63 H new ATOM 0 HE3 LYS A 79 14.543 -7.560 4.534 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 15.686 -7.385 6.642 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 16.285 -8.711 5.766 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 17.190 -7.278 5.862 1.00 3.52 H new ATOM 1283 N LEU A 80 13.705 -5.465 -0.138 1.00 0.45 N ATOM 1284 CA LEU A 80 12.369 -5.868 -0.543 1.00 0.41 C ATOM 1285 C LEU A 80 11.968 -7.142 0.185 1.00 0.42 C ATOM 1286 O LEU A 80 12.780 -8.047 0.384 1.00 0.49 O ATOM 1287 CB LEU A 80 12.295 -6.050 -2.067 1.00 0.50 C ATOM 1288 CG LEU A 80 10.885 -6.080 -2.678 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.247 -7.456 -2.571 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.996 -5.038 -2.027 1.00 0.74 C ATOM 0 H LEU A 80 14.449 -5.740 -0.780 1.00 0.45 H new ATOM 0 HA LEU A 80 11.665 -5.082 -0.271 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.855 -5.241 -2.536 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.801 -6.980 -2.326 1.00 0.50 H new ATOM 0 HG LEU A 80 10.989 -5.846 -3.737 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.252 -7.431 -3.015 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.862 -8.184 -3.099 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.169 -7.740 -1.522 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.003 -5.076 -2.474 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.921 -5.240 -0.959 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.425 -4.047 -2.180 1.00 0.74 H new ATOM 1302 N LYS A 81 10.712 -7.196 0.580 1.00 0.40 N ATOM 1303 CA LYS A 81 10.186 -8.313 1.340 1.00 0.44 C ATOM 1304 C LYS A 81 8.859 -8.764 0.752 1.00 0.38 C ATOM 1305 O LYS A 81 7.868 -8.041 0.801 1.00 0.36 O ATOM 1306 CB LYS A 81 10.021 -7.923 2.812 1.00 0.49 C ATOM 1307 CG LYS A 81 9.360 -8.994 3.663 1.00 0.60 C ATOM 1308 CD LYS A 81 9.325 -8.595 5.130 1.00 0.71 C ATOM 1309 CE LYS A 81 8.552 -9.604 5.963 1.00 1.18 C ATOM 1310 NZ LYS A 81 7.092 -9.567 5.678 1.00 1.87 N ATOM 0 H LYS A 81 10.027 -6.467 0.383 1.00 0.40 H new ATOM 0 HA LYS A 81 10.890 -9.143 1.283 1.00 0.44 H new ATOM 0 HB2 LYS A 81 11.002 -7.695 3.229 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.429 -7.009 2.871 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.344 -9.168 3.307 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.901 -9.934 3.553 1.00 0.60 H new ATOM 0 HD2 LYS A 81 10.343 -8.512 5.510 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.866 -7.611 5.230 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.934 -10.605 5.764 1.00 1.18 H new ATOM 0 HE3 LYS A 81 8.719 -9.403 7.021 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.607 -10.283 6.256 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 6.717 -8.625 5.908 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.930 -9.768 4.671 1.00 1.87 H new ATOM 1324 N LYS A 82 8.850 -9.951 0.177 1.00 0.40 N ATOM 1325 CA LYS A 82 7.655 -10.473 -0.452 1.00 0.37 C ATOM 1326 C LYS A 82 6.761 -11.130 0.589 1.00 0.36 C ATOM 1327 O LYS A 82 7.188 -12.037 1.309 1.00 0.46 O ATOM 1328 CB LYS A 82 8.037 -11.473 -1.538 1.00 0.47 C ATOM 1329 CG LYS A 82 8.972 -10.890 -2.583 1.00 0.54 C ATOM 1330 CD LYS A 82 9.484 -11.972 -3.519 1.00 0.76 C ATOM 1331 CE LYS A 82 10.502 -11.441 -4.518 1.00 0.90 C ATOM 1332 NZ LYS A 82 9.904 -10.471 -5.469 1.00 1.10 N ATOM 0 H LYS A 82 9.658 -10.572 0.133 1.00 0.40 H new ATOM 0 HA LYS A 82 7.104 -9.652 -0.911 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.513 -12.338 -1.076 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.132 -11.831 -2.028 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.450 -10.125 -3.157 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.813 -10.401 -2.091 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.937 -12.771 -2.933 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.644 -12.409 -4.058 1.00 0.76 H new ATOM 0 HE2 LYS A 82 11.320 -10.962 -3.980 1.00 0.90 H new ATOM 0 HE3 LYS A 82 10.931 -12.274 -5.074 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 9.981 -10.842 -6.437 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 8.902 -10.325 -5.232 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.410 -9.565 -5.405 1.00 1.10 H new ATOM 1346 N SER A 83 5.524 -10.668 0.663 1.00 0.31 N ATOM 1347 CA SER A 83 4.586 -11.156 1.656 1.00 0.36 C ATOM 1348 C SER A 83 3.210 -11.348 1.027 1.00 0.31 C ATOM 1349 O SER A 83 2.899 -10.744 0.002 1.00 0.50 O ATOM 1350 CB SER A 83 4.475 -10.151 2.808 1.00 0.46 C ATOM 1351 OG SER A 83 5.751 -9.683 3.227 1.00 1.12 O ATOM 0 H SER A 83 5.146 -9.952 0.043 1.00 0.31 H new ATOM 0 HA SER A 83 4.948 -12.111 2.037 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.863 -9.305 2.495 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.965 -10.619 3.650 1.00 0.46 H new ATOM 0 HG SER A 83 5.661 -8.785 3.610 1.00 1.12 H new ATOM 1357 N THR A 84 2.400 -12.200 1.630 1.00 0.25 N ATOM 1358 CA THR A 84 1.020 -12.363 1.207 1.00 0.23 C ATOM 1359 C THR A 84 0.123 -12.379 2.435 1.00 0.22 C ATOM 1360 O THR A 84 0.198 -13.297 3.254 1.00 0.29 O ATOM 1361 CB THR A 84 0.817 -13.662 0.398 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.949 -13.893 -0.454 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.441 -13.579 -0.455 1.00 0.27 C ATOM 0 H THR A 84 2.674 -12.791 2.415 1.00 0.25 H new ATOM 0 HA THR A 84 0.761 -11.527 0.557 1.00 0.23 H new ATOM 0 HB THR A 84 0.712 -14.486 1.104 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.813 -14.720 -0.962 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.562 -14.506 -1.016 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.308 -13.428 0.189 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.355 -12.743 -1.150 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.703 -11.355 2.574 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.565 -11.224 3.738 1.00 0.18 C ATOM 1373 C ASN A 85 -2.734 -10.321 3.403 1.00 0.17 C ATOM 1374 O ASN A 85 -2.751 -9.673 2.355 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.803 -10.630 4.925 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.316 -11.123 6.270 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.481 -11.499 6.412 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.450 -11.109 7.270 1.00 0.37 N ATOM 0 H ASN A 85 -0.795 -10.601 1.894 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.919 -12.218 4.011 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.254 -10.880 4.832 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.878 -9.543 4.890 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.738 -11.417 8.199 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.506 -10.791 7.112 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.712 -10.303 4.283 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.823 -9.391 4.168 1.00 0.19 C ATOM 1387 C LYS A 86 -4.395 -8.034 4.700 1.00 0.18 C ATOM 1388 O LYS A 86 -3.297 -7.904 5.239 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.998 -9.936 4.969 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.251 -11.407 4.704 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.367 -11.943 5.567 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.553 -13.435 5.359 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.405 -14.044 6.410 1.00 1.17 N ATOM 0 H LYS A 86 -3.757 -10.919 5.095 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.129 -9.285 3.127 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.807 -9.790 6.032 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.895 -9.367 4.725 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.502 -11.550 3.653 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.339 -11.974 4.894 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.147 -11.744 6.616 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.295 -11.422 5.332 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -8.003 -13.611 4.382 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.579 -13.924 5.354 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.505 -15.063 6.228 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -7.964 -13.900 7.341 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.344 -13.597 6.398 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.234 -7.029 4.551 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.921 -5.716 5.086 1.00 0.18 C ATOM 1409 C PHE A 87 -6.183 -4.917 5.352 1.00 0.18 C ATOM 1410 O PHE A 87 -7.219 -5.132 4.722 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.970 -4.948 4.157 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.437 -4.822 2.732 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.348 -3.845 2.368 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.952 -5.675 1.755 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.770 -3.723 1.057 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.368 -5.555 0.444 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.279 -4.579 0.094 1.00 0.20 C ATOM 0 H PHE A 87 -6.130 -7.093 4.069 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.411 -5.862 6.038 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.818 -3.948 4.563 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.000 -5.445 4.163 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.734 -3.170 3.117 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.241 -6.443 2.021 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.483 -2.958 0.788 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.980 -6.226 -0.309 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.606 -4.486 -0.931 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.093 -4.020 6.314 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.206 -3.184 6.689 1.00 0.20 C ATOM 1429 C CYS A 88 -7.044 -1.806 6.063 1.00 0.20 C ATOM 1430 O CYS A 88 -6.036 -1.128 6.289 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.265 -3.067 8.209 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.713 -2.159 8.831 1.00 0.49 S ATOM 0 H CYS A 88 -5.244 -3.854 6.855 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.134 -3.628 6.330 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.266 -4.068 8.640 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.360 -2.570 8.559 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.012 -1.403 5.261 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.976 -0.097 4.631 1.00 0.22 C ATOM 1439 C VAL A 89 -9.086 0.786 5.172 1.00 0.24 C ATOM 1440 O VAL A 89 -10.185 0.312 5.462 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.090 -0.187 3.091 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.794 -0.704 2.495 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.256 -1.076 2.673 1.00 0.20 C ATOM 0 H VAL A 89 -8.833 -1.962 5.031 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.008 0.343 4.870 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.279 0.817 2.710 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.890 -0.762 1.411 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.980 -0.026 2.752 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.580 -1.696 2.894 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.309 -1.119 1.585 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.108 -2.081 3.069 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.186 -0.665 3.066 1.00 0.20 H new ATOM 1453 N THR A 90 -8.790 2.063 5.337 1.00 0.26 N ATOM 1454 CA THR A 90 -9.791 3.005 5.780 1.00 0.28 C ATOM 1455 C THR A 90 -10.612 3.462 4.583 1.00 0.25 C ATOM 1456 O THR A 90 -10.126 4.217 3.734 1.00 0.25 O ATOM 1457 CB THR A 90 -9.146 4.228 6.452 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.231 3.797 7.466 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.204 5.136 7.067 1.00 0.40 C ATOM 0 H THR A 90 -7.868 2.466 5.171 1.00 0.26 H new ATOM 0 HA THR A 90 -10.430 2.510 6.512 1.00 0.28 H new ATOM 0 HB THR A 90 -8.609 4.793 5.690 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.708 3.255 8.129 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.720 5.993 7.536 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.883 5.483 6.288 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.767 4.582 7.818 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.839 2.989 4.504 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.704 3.317 3.389 1.00 0.22 C ATOM 1469 C CYS A 91 -13.523 4.562 3.674 1.00 0.25 C ATOM 1470 O CYS A 91 -14.233 4.634 4.673 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.624 2.139 3.097 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.727 0.594 2.776 1.00 0.20 S ATOM 0 H CYS A 91 -12.261 2.375 5.201 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.082 3.521 2.518 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.296 1.993 3.943 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.245 2.377 2.234 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.403 5.547 2.801 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.197 6.756 2.902 1.00 0.29 C ATOM 1479 C GLU A 92 -14.558 7.226 1.501 1.00 0.27 C ATOM 1480 O GLU A 92 -13.686 7.335 0.639 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.428 7.843 3.652 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.301 8.984 4.139 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.494 10.128 4.718 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.951 9.977 5.833 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.401 11.186 4.059 1.00 0.76 O ATOM 0 H GLU A 92 -12.759 5.531 2.010 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.108 6.547 3.462 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.923 7.394 4.507 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.653 8.244 2.998 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.906 9.353 3.311 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.991 8.611 4.896 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.842 7.474 1.278 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.351 7.861 -0.040 1.00 0.31 C ATOM 1494 C ASN A 93 -16.049 6.781 -1.075 1.00 0.28 C ATOM 1495 O ASN A 93 -15.682 7.075 -2.212 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.773 9.210 -0.491 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.237 10.364 0.376 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.297 10.944 0.140 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.440 10.716 1.374 1.00 0.65 N ATOM 0 H ASN A 93 -16.561 7.414 1.999 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.432 7.970 0.045 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.684 9.160 -0.470 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.063 9.398 -1.525 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.696 11.494 1.981 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.570 10.209 1.535 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.191 5.528 -0.647 1.00 0.26 N ATOM 1507 CA GLN A 94 -16.085 4.360 -1.526 1.00 0.25 C ATOM 1508 C GLN A 94 -14.664 4.136 -2.034 1.00 0.22 C ATOM 1509 O GLN A 94 -14.452 3.391 -2.989 1.00 0.26 O ATOM 1510 CB GLN A 94 -17.044 4.476 -2.712 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.502 4.571 -2.305 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.445 4.524 -3.490 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.535 5.094 -3.458 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -19.032 3.846 -4.543 1.00 0.48 N ATOM 0 H GLN A 94 -16.384 5.291 0.326 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.361 3.496 -0.921 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.780 5.357 -3.297 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.912 3.611 -3.362 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.739 3.753 -1.625 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.662 5.499 -1.756 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.121 3.388 -4.529 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.624 3.780 -5.371 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.693 4.759 -1.390 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.304 4.589 -1.783 1.00 0.19 C ATOM 1525 C ALA A 95 -11.396 4.505 -0.565 1.00 0.17 C ATOM 1526 O ALA A 95 -11.621 5.191 0.436 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.871 5.726 -2.693 1.00 0.21 C ATOM 0 H ALA A 95 -13.838 5.384 -0.597 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.218 3.650 -2.330 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.829 5.586 -2.980 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.495 5.735 -3.587 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.978 6.674 -2.167 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.391 3.620 -0.620 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.348 3.537 0.405 1.00 0.17 C ATOM 1535 C PRO A 96 -8.539 4.829 0.489 1.00 0.19 C ATOM 1536 O PRO A 96 -7.788 5.160 -0.425 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.448 2.388 -0.062 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.232 1.640 -1.086 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.216 2.610 -1.677 1.00 0.17 C ATOM 0 HA PRO A 96 -9.771 3.377 1.397 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.518 2.768 -0.484 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.178 1.740 0.772 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.575 1.238 -1.857 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.748 0.793 -0.634 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.836 3.055 -2.597 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.159 2.122 -1.925 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.707 5.569 1.575 1.00 0.20 N ATOM 1548 CA VAL A 97 -8.008 6.839 1.731 1.00 0.24 C ATOM 1549 C VAL A 97 -6.866 6.728 2.736 1.00 0.27 C ATOM 1550 O VAL A 97 -5.845 7.405 2.614 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.972 7.969 2.156 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.976 8.256 1.051 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.689 7.612 3.447 1.00 0.35 C ATOM 0 H VAL A 97 -9.314 5.317 2.355 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.590 7.089 0.756 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.383 8.869 2.332 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.647 9.054 1.368 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.447 8.563 0.149 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.555 7.356 0.843 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.362 8.423 3.726 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.264 6.697 3.303 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.957 7.460 4.240 1.00 0.35 H new ATOM 1563 N HIS A 98 -7.037 5.872 3.730 1.00 0.30 N ATOM 1564 CA HIS A 98 -6.020 5.672 4.753 1.00 0.35 C ATOM 1565 C HIS A 98 -5.652 4.196 4.824 1.00 0.31 C ATOM 1566 O HIS A 98 -6.466 3.334 4.496 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.510 6.156 6.127 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.688 7.644 6.260 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -6.995 8.248 7.458 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -6.606 8.646 5.351 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -7.095 9.551 7.282 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.862 9.818 6.013 1.00 0.82 N ATOM 0 H HIS A 98 -7.874 5.302 3.852 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.141 6.258 4.483 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.462 5.672 6.346 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.801 5.823 6.885 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -6.381 8.540 4.300 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -7.328 10.276 8.048 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.871 10.747 5.592 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.429 3.907 5.236 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.978 2.532 5.361 1.00 0.29 C ATOM 1583 C PHE A 99 -3.768 2.186 6.829 1.00 0.29 C ATOM 1584 O PHE A 99 -2.931 2.788 7.503 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.685 2.314 4.569 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.259 0.874 4.496 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.972 -0.039 3.737 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.142 0.436 5.191 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.579 -1.364 3.672 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.745 -0.887 5.130 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.475 -1.790 4.353 1.00 0.31 C ATOM 0 H PHE A 99 -3.731 4.606 5.489 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.743 1.874 4.950 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.820 2.696 3.557 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.886 2.898 5.026 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.844 0.287 3.190 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.576 1.136 5.787 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.148 -2.065 3.080 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.123 -1.220 5.679 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.167 -2.823 4.291 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.533 1.219 7.312 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.486 0.830 8.713 1.00 0.28 C ATOM 1603 C VAL A 100 -3.287 -0.079 8.979 1.00 0.28 C ATOM 1604 O VAL A 100 -2.342 0.307 9.673 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.794 0.115 9.122 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.753 -0.333 10.575 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.998 1.016 8.868 1.00 0.29 C ATOM 0 H VAL A 100 -5.198 0.687 6.751 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.379 1.734 9.313 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.893 -0.778 8.505 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.688 -0.832 10.828 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.923 -1.024 10.719 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.619 0.535 11.220 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.910 0.496 9.162 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.898 1.931 9.452 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.048 1.266 7.808 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.332 -1.277 8.420 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.235 -2.215 8.557 1.00 0.29 C ATOM 1619 C GLY A 101 -2.564 -3.523 7.891 1.00 0.25 C ATOM 1620 O GLY A 101 -3.655 -3.672 7.345 1.00 0.28 O ATOM 0 H GLY A 101 -4.117 -1.621 7.867 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.333 -1.793 8.114 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.024 -2.383 9.613 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.646 -4.472 7.919 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.895 -5.754 7.285 1.00 0.22 C ATOM 1626 C VAL A 102 -2.307 -6.787 8.325 1.00 0.24 C ATOM 1627 O VAL A 102 -2.006 -6.648 9.513 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.686 -6.268 6.461 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.049 -5.116 5.793 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.260 -7.114 7.301 1.00 0.25 C ATOM 0 H VAL A 102 -0.734 -4.382 8.367 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.711 -5.602 6.579 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.081 -6.916 5.678 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.892 -5.505 5.222 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.631 -4.590 5.123 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.414 -4.427 6.555 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.092 -7.452 6.683 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.643 -6.518 8.130 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.276 -7.978 7.693 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.023 -7.802 7.874 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.481 -8.847 8.763 1.00 0.29 C ATOM 1642 C GLY A 103 -4.917 -8.640 9.196 1.00 0.28 C ATOM 1643 O GLY A 103 -5.812 -9.383 8.793 1.00 0.34 O ATOM 0 H GLY A 103 -3.298 -7.922 6.899 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.389 -9.812 8.265 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.839 -8.880 9.643 1.00 0.29 H new ATOM 1647 N SER A 104 -5.137 -7.630 10.023 1.00 0.33 N ATOM 1648 CA SER A 104 -6.469 -7.301 10.497 1.00 0.32 C ATOM 1649 C SER A 104 -6.556 -5.827 10.862 1.00 0.39 C ATOM 1650 O SER A 104 -5.574 -5.093 10.743 1.00 0.59 O ATOM 1651 CB SER A 104 -6.829 -8.172 11.699 1.00 0.45 C ATOM 1652 OG SER A 104 -6.932 -9.536 11.321 1.00 1.38 O ATOM 0 H SER A 104 -4.402 -7.020 10.381 1.00 0.33 H new ATOM 0 HA SER A 104 -7.183 -7.498 9.697 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.071 -8.061 12.474 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.774 -7.836 12.127 1.00 0.45 H new ATOM 0 HG SER A 104 -6.703 -9.631 10.373 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.738 -5.400 11.273 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.948 -4.026 11.707 1.00 0.53 C ATOM 1660 C CYS A 105 -7.678 -3.903 13.204 1.00 0.48 C ATOM 1661 O CYS A 105 -6.518 -3.643 13.588 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.386 -3.587 11.412 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.852 -3.617 9.653 1.00 1.01 S ATOM 1664 OXT CYS A 105 -8.631 -4.078 13.996 1.00 1.20 O ATOM 0 H CYS A 105 -8.571 -5.987 11.316 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.259 -3.383 11.160 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -10.068 -4.233 11.964 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.527 -2.575 11.793 1.00 0.82 H new TER 1669 CYS A 105