USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 859 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 36 SER OG : rot -46:sc= 0.915 USER MOD Set 1.2: A 87 CYS SG : rot -100:sc= 0.752 USER MOD Set 2.1: A 69 SER OG : rot -62:sc= 1.71 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.221 K(o=1.9,f=0.091) USER MOD Set 3.1: A 24 MET CE :methyl -175:sc= -0.0323 (180deg=0) USER MOD Set 3.2: A 32 GLN : amide:sc= 1.51 K(o=1.8,f=-4.1!) USER MOD Set 3.3: A 52 SER OG : rot -1:sc= 0.372 USER MOD Set 4.1: A 17 SER OG : rot -81:sc= 1.8 USER MOD Set 4.2: A 18 HIS : no HE2:sc= 0.621 K(o=2.4,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0487 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= 2.05 (180deg=1.94) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -112:sc= 1.32 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.12) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.0991 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 38 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.07) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 91:sc= 1.3 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 54 ASN : amide:sc= 0.176 X(o=0.18,f=-0.28) USER MOD Single : A 58 ASN : amide:sc= 0.418 K(o=0.42,f=-7.2!) USER MOD Single : A 63 GLN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 32:sc= 0.394 USER MOD Single : A 78 TYR OH : rot -90:sc= 0.0275 USER MOD Single : A 90 THR OG1 : rot 73:sc= 0.869 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 75:sc= 1.29 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.099) USER MOD Single : A 105 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.987) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -30:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.245 -0.013 -8.482 1.00 0.00 N ATOM 2 CA MET A 1 -0.105 0.902 -8.163 1.00 0.00 C ATOM 3 C MET A 1 0.118 1.006 -6.643 1.00 0.00 C ATOM 4 O MET A 1 -0.797 0.754 -5.859 1.00 0.00 O ATOM 5 CB MET A 1 -0.295 2.321 -8.764 1.00 0.00 C ATOM 6 CG MET A 1 -0.230 2.362 -10.299 1.00 0.00 C ATOM 7 SD MET A 1 -0.202 4.047 -10.975 1.00 0.00 S ATOM 8 CE MET A 1 -0.199 3.669 -12.748 1.00 0.00 C ATOM 0 H1 MET A 1 -0.881 -0.876 -8.935 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.743 -0.266 -7.605 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.904 0.466 -9.128 1.00 0.00 H new ATOM 0 HA MET A 1 0.778 0.460 -8.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.258 2.716 -8.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.472 2.982 -8.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.661 1.830 -10.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.090 1.829 -10.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.183 4.598 -13.318 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.683 3.078 -12.992 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.096 3.104 -13.001 1.00 0.00 H new ATOM 20 N ALA A 2 1.322 1.415 -6.215 1.00 0.00 N ATOM 21 CA ALA A 2 1.683 1.581 -4.793 1.00 0.00 C ATOM 22 C ALA A 2 1.056 2.829 -4.126 1.00 0.00 C ATOM 23 O ALA A 2 0.927 2.869 -2.899 1.00 0.00 O ATOM 24 CB ALA A 2 3.216 1.623 -4.705 1.00 0.00 C ATOM 0 H ALA A 2 2.084 1.644 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 2 1.275 0.737 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.518 1.745 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.628 0.693 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.591 2.461 -5.292 1.00 0.00 H new ATOM 30 N LEU A 3 0.656 3.830 -4.924 1.00 0.00 N ATOM 31 CA LEU A 3 0.013 5.076 -4.480 1.00 0.00 C ATOM 32 C LEU A 3 -1.089 5.497 -5.474 1.00 0.00 C ATOM 33 O LEU A 3 -1.015 5.168 -6.660 1.00 0.00 O ATOM 34 CB LEU A 3 1.122 6.144 -4.316 1.00 0.00 C ATOM 35 CG LEU A 3 0.706 7.469 -3.645 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.142 7.232 -2.235 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.929 8.396 -3.575 1.00 0.00 C ATOM 0 H LEU A 3 0.776 3.792 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.488 4.944 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.934 5.707 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.524 6.373 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.082 7.931 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.141 8.186 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.734 6.587 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.901 6.755 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.646 9.336 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.715 7.918 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.295 8.592 -4.583 1.00 0.00 H new ATOM 49 N THR A 4 -2.109 6.218 -4.988 1.00 0.00 N ATOM 50 CA THR A 4 -3.316 6.622 -5.740 1.00 0.00 C ATOM 51 C THR A 4 -2.963 7.519 -6.944 1.00 0.00 C ATOM 52 O THR A 4 -2.384 8.583 -6.708 1.00 0.00 O ATOM 53 CB THR A 4 -4.311 7.341 -4.815 1.00 0.00 C ATOM 54 OG1 THR A 4 -3.636 8.358 -4.112 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.929 6.390 -3.789 1.00 0.00 C ATOM 0 H THR A 4 -2.121 6.551 -4.024 1.00 0.00 H new ATOM 0 HA THR A 4 -3.781 5.715 -6.126 1.00 0.00 H new ATOM 0 HB THR A 4 -5.107 7.746 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.266 8.821 -3.522 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.626 6.940 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.461 5.592 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.141 5.959 -3.171 1.00 0.00 H new ATOM 63 N PRO A 5 -3.337 7.163 -8.194 1.00 0.00 N ATOM 64 CA PRO A 5 -3.003 7.926 -9.401 1.00 0.00 C ATOM 65 C PRO A 5 -3.412 9.403 -9.380 1.00 0.00 C ATOM 66 O PRO A 5 -2.691 10.230 -9.932 1.00 0.00 O ATOM 67 CB PRO A 5 -3.699 7.201 -10.558 1.00 0.00 C ATOM 68 CG PRO A 5 -3.747 5.754 -10.081 1.00 0.00 C ATOM 69 CD PRO A 5 -3.963 5.900 -8.578 1.00 0.00 C ATOM 0 HA PRO A 5 -1.918 7.960 -9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.697 7.599 -10.740 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.141 7.300 -11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.557 5.199 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.822 5.223 -10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.026 5.904 -8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.517 5.065 -8.038 1.00 0.00 H new ATOM 77 N ALA A 6 -4.534 9.758 -8.743 1.00 0.00 N ATOM 78 CA ALA A 6 -4.985 11.151 -8.632 1.00 0.00 C ATOM 79 C ALA A 6 -3.999 12.019 -7.831 1.00 0.00 C ATOM 80 O ALA A 6 -3.704 13.154 -8.224 1.00 0.00 O ATOM 81 CB ALA A 6 -6.389 11.146 -8.011 1.00 0.00 C ATOM 0 H ALA A 6 -5.155 9.088 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.024 11.603 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.749 12.171 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.067 10.580 -8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.349 10.683 -7.025 1.00 0.00 H new ATOM 87 N LEU A 7 -3.422 11.469 -6.755 1.00 0.00 N ATOM 88 CA LEU A 7 -2.347 12.123 -6.004 1.00 0.00 C ATOM 89 C LEU A 7 -1.085 12.207 -6.858 1.00 0.00 C ATOM 90 O LEU A 7 -0.534 13.290 -6.995 1.00 0.00 O ATOM 91 CB LEU A 7 -2.103 11.389 -4.672 1.00 0.00 C ATOM 92 CG LEU A 7 -0.974 12.002 -3.815 1.00 0.00 C ATOM 93 CD1 LEU A 7 -1.226 13.471 -3.439 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.815 11.171 -2.540 1.00 0.00 C ATOM 0 H LEU A 7 -3.689 10.558 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.643 13.143 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.027 11.391 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.861 10.347 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.065 11.984 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.395 13.840 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.311 14.069 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.150 13.547 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.020 11.595 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.750 11.181 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.562 10.144 -2.804 1.00 0.00 H new ATOM 106 N LYS A 8 -0.663 11.119 -7.511 1.00 0.00 N ATOM 107 CA LYS A 8 0.544 11.132 -8.356 1.00 0.00 C ATOM 108 C LYS A 8 0.450 12.172 -9.495 1.00 0.00 C ATOM 109 O LYS A 8 1.426 12.866 -9.782 1.00 0.00 O ATOM 110 CB LYS A 8 0.798 9.724 -8.918 1.00 0.00 C ATOM 111 CG LYS A 8 1.118 8.681 -7.832 1.00 0.00 C ATOM 112 CD LYS A 8 1.446 7.307 -8.436 1.00 0.00 C ATOM 113 CE LYS A 8 2.773 7.329 -9.220 1.00 0.00 C ATOM 114 NZ LYS A 8 3.126 5.992 -9.774 1.00 0.00 N ATOM 0 H LYS A 8 -1.137 10.217 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 8 1.387 11.429 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.081 9.399 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.626 9.767 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.962 9.026 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.267 8.587 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.506 6.565 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.637 6.999 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.699 8.049 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.574 7.671 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.025 6.057 -10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.224 5.309 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.376 5.675 -10.421 1.00 0.00 H new ATOM 128 N THR A 9 -0.747 12.340 -10.077 1.00 0.00 N ATOM 129 CA THR A 9 -1.094 13.349 -11.085 1.00 0.00 C ATOM 130 C THR A 9 -1.032 14.766 -10.511 1.00 0.00 C ATOM 131 O THR A 9 -0.504 15.656 -11.170 1.00 0.00 O ATOM 132 CB THR A 9 -2.472 13.017 -11.652 1.00 0.00 C ATOM 133 OG1 THR A 9 -2.439 11.737 -12.253 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.917 14.002 -12.717 1.00 0.00 C ATOM 0 H THR A 9 -1.540 11.743 -9.843 1.00 0.00 H new ATOM 0 HA THR A 9 -0.362 13.324 -11.892 1.00 0.00 H new ATOM 0 HB THR A 9 -3.171 13.059 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.517 11.048 -11.560 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.903 13.719 -13.086 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.964 15.004 -12.290 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.205 13.992 -13.542 1.00 0.00 H new ATOM 142 N THR A 10 -1.523 14.974 -9.280 1.00 0.00 N ATOM 143 CA THR A 10 -1.493 16.271 -8.572 1.00 0.00 C ATOM 144 C THR A 10 -0.060 16.676 -8.222 1.00 0.00 C ATOM 145 O THR A 10 0.341 17.810 -8.484 1.00 0.00 O ATOM 146 CB THR A 10 -2.376 16.206 -7.317 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.694 15.864 -7.691 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.443 17.554 -6.597 1.00 0.00 C ATOM 0 H THR A 10 -1.962 14.232 -8.734 1.00 0.00 H new ATOM 0 HA THR A 10 -1.893 17.038 -9.236 1.00 0.00 H new ATOM 0 HB THR A 10 -1.937 15.463 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.736 14.909 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.077 17.464 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.440 17.855 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.859 18.305 -7.269 1.00 0.00 H new ATOM 156 N LEU A 11 0.723 15.732 -7.686 1.00 0.00 N ATOM 157 CA LEU A 11 2.145 15.897 -7.384 1.00 0.00 C ATOM 158 C LEU A 11 2.913 16.298 -8.644 1.00 0.00 C ATOM 159 O LEU A 11 3.524 17.363 -8.654 1.00 0.00 O ATOM 160 CB LEU A 11 2.709 14.610 -6.749 1.00 0.00 C ATOM 161 CG LEU A 11 2.152 14.289 -5.345 1.00 0.00 C ATOM 162 CD1 LEU A 11 2.650 12.903 -4.914 1.00 0.00 C ATOM 163 CD2 LEU A 11 2.549 15.338 -4.298 1.00 0.00 C ATOM 0 H LEU A 11 0.371 14.806 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 11 2.267 16.701 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.496 13.770 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.794 14.698 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 11 1.064 14.302 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.261 12.669 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.304 12.154 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.740 12.900 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.131 15.062 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.635 15.385 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.163 16.313 -4.596 1.00 0.00 H new ATOM 175 N ASP A 12 2.810 15.530 -9.732 1.00 0.00 N ATOM 176 CA ASP A 12 3.423 15.869 -11.024 1.00 0.00 C ATOM 177 C ASP A 12 2.982 17.254 -11.530 1.00 0.00 C ATOM 178 O ASP A 12 3.823 18.044 -11.958 1.00 0.00 O ATOM 179 CB ASP A 12 3.084 14.775 -12.047 1.00 0.00 C ATOM 180 CG ASP A 12 3.740 15.056 -13.406 1.00 0.00 C ATOM 181 OD1 ASP A 12 4.959 14.792 -13.543 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.036 15.519 -14.335 1.00 0.00 O ATOM 0 H ASP A 12 2.296 14.649 -9.744 1.00 0.00 H new ATOM 0 HA ASP A 12 4.503 15.919 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.420 13.808 -11.672 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.003 14.712 -12.169 1.00 0.00 H new ATOM 187 N LYS A 13 1.696 17.609 -11.397 1.00 0.00 N ATOM 188 CA LYS A 13 1.187 18.930 -11.772 1.00 0.00 C ATOM 189 C LYS A 13 1.841 20.054 -10.956 1.00 0.00 C ATOM 190 O LYS A 13 2.332 21.014 -11.551 1.00 0.00 O ATOM 191 CB LYS A 13 -0.351 18.924 -11.679 1.00 0.00 C ATOM 192 CG LYS A 13 -0.976 20.226 -12.216 1.00 0.00 C ATOM 193 CD LYS A 13 -2.513 20.228 -12.148 1.00 0.00 C ATOM 194 CE LYS A 13 -3.140 19.173 -13.077 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.626 19.255 -13.080 1.00 0.00 N ATOM 0 H LYS A 13 0.980 16.985 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 13 1.461 19.142 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.743 18.077 -12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.649 18.782 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.591 21.070 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.663 20.373 -13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.829 20.040 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.885 21.216 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.766 19.313 -14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.831 18.178 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.012 18.529 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.984 19.097 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.921 20.197 -13.409 1.00 0.00 H new ATOM 209 N VAL A 14 1.947 19.952 -9.625 1.00 0.00 N ATOM 210 CA VAL A 14 2.639 20.971 -8.823 1.00 0.00 C ATOM 211 C VAL A 14 4.161 20.953 -9.027 1.00 0.00 C ATOM 212 O VAL A 14 4.766 22.015 -9.123 1.00 0.00 O ATOM 213 CB VAL A 14 2.251 20.932 -7.331 1.00 0.00 C ATOM 214 CG1 VAL A 14 0.755 21.232 -7.140 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.635 19.660 -6.566 1.00 0.00 C ATOM 0 H VAL A 14 1.564 19.178 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 14 2.286 21.930 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 14 2.859 21.719 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.510 21.198 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.530 22.224 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.164 20.488 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.312 19.748 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.150 18.799 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.716 19.528 -6.599 1.00 0.00 H new ATOM 225 N VAL A 15 4.768 19.771 -9.193 1.00 0.00 N ATOM 226 CA VAL A 15 6.213 19.595 -9.433 1.00 0.00 C ATOM 227 C VAL A 15 6.668 20.241 -10.749 1.00 0.00 C ATOM 228 O VAL A 15 7.727 20.864 -10.778 1.00 0.00 O ATOM 229 CB VAL A 15 6.583 18.098 -9.381 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.916 17.729 -10.039 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.618 17.608 -7.925 1.00 0.00 C ATOM 0 H VAL A 15 4.259 18.887 -9.164 1.00 0.00 H new ATOM 0 HA VAL A 15 6.747 20.113 -8.637 1.00 0.00 H new ATOM 0 HB VAL A 15 5.801 17.607 -9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.082 16.656 -9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.890 18.004 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.726 18.265 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.880 16.550 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.361 18.178 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.637 17.748 -7.470 1.00 0.00 H new ATOM 241 N THR A 16 5.876 20.118 -11.823 1.00 0.00 N ATOM 242 CA THR A 16 6.203 20.681 -13.146 1.00 0.00 C ATOM 243 C THR A 16 5.890 22.171 -13.236 1.00 0.00 C ATOM 244 O THR A 16 6.729 22.935 -13.705 1.00 0.00 O ATOM 245 CB THR A 16 5.511 19.908 -14.281 1.00 0.00 C ATOM 246 OG1 THR A 16 4.129 19.781 -14.032 1.00 0.00 O ATOM 247 CG2 THR A 16 6.104 18.509 -14.448 1.00 0.00 C ATOM 0 H THR A 16 4.985 19.623 -11.801 1.00 0.00 H new ATOM 0 HA THR A 16 7.280 20.567 -13.269 1.00 0.00 H new ATOM 0 HB THR A 16 5.672 20.479 -15.196 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.977 19.056 -13.390 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.591 17.991 -15.259 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.165 18.589 -14.683 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.979 17.948 -13.522 1.00 0.00 H new ATOM 255 N SER A 17 4.719 22.601 -12.759 1.00 0.00 N ATOM 256 CA SER A 17 4.270 24.003 -12.878 1.00 0.00 C ATOM 257 C SER A 17 5.056 24.981 -11.986 1.00 0.00 C ATOM 258 O SER A 17 5.360 26.096 -12.410 1.00 0.00 O ATOM 259 CB SER A 17 2.770 24.117 -12.558 1.00 0.00 C ATOM 260 OG SER A 17 2.474 23.644 -11.251 1.00 0.00 O ATOM 0 H SER A 17 4.053 21.995 -12.280 1.00 0.00 H new ATOM 0 HA SER A 17 4.462 24.289 -13.912 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.457 25.157 -12.648 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.197 23.547 -13.290 1.00 0.00 H new ATOM 0 HG SER A 17 2.417 22.666 -11.262 1.00 0.00 H new ATOM 266 N HIS A 18 5.404 24.575 -10.754 1.00 0.00 N ATOM 267 CA HIS A 18 6.147 25.415 -9.797 1.00 0.00 C ATOM 268 C HIS A 18 7.650 25.067 -9.732 1.00 0.00 C ATOM 269 O HIS A 18 8.400 25.707 -8.996 1.00 0.00 O ATOM 270 CB HIS A 18 5.484 25.291 -8.412 1.00 0.00 C ATOM 271 CG HIS A 18 4.092 25.875 -8.326 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.958 25.438 -8.979 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.718 26.956 -7.572 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.938 26.240 -8.627 1.00 0.00 C ATOM 275 NE2 HIS A 18 2.349 27.186 -7.764 1.00 0.00 N ATOM 0 H HIS A 18 5.177 23.649 -10.391 1.00 0.00 H new ATOM 0 HA HIS A 18 6.101 26.448 -10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.439 24.237 -8.138 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.117 25.785 -7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.903 24.645 -9.618 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.370 27.535 -6.935 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.925 26.138 -8.988 1.00 0.00 H new ATOM 283 N LYS A 19 8.097 24.030 -10.458 1.00 0.00 N ATOM 284 CA LYS A 19 9.470 23.487 -10.533 1.00 0.00 C ATOM 285 C LYS A 19 10.011 22.942 -9.201 1.00 0.00 C ATOM 286 O LYS A 19 10.346 21.763 -9.125 1.00 0.00 O ATOM 287 CB LYS A 19 10.429 24.499 -11.205 1.00 0.00 C ATOM 288 CG LYS A 19 10.191 24.619 -12.722 1.00 0.00 C ATOM 289 CD LYS A 19 10.763 23.415 -13.491 1.00 0.00 C ATOM 290 CE LYS A 19 10.365 23.461 -14.972 1.00 0.00 C ATOM 291 NZ LYS A 19 10.983 22.339 -15.726 1.00 0.00 N ATOM 0 H LYS A 19 7.460 23.505 -11.057 1.00 0.00 H new ATOM 0 HA LYS A 19 9.413 22.605 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.302 25.478 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.460 24.193 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.121 24.699 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.651 25.536 -13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.850 23.408 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.401 22.489 -13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.280 23.410 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.677 24.411 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.557 22.281 -16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.006 22.503 -15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.819 21.447 -15.217 1.00 0.00 H new ATOM 305 N VAL A 20 10.098 23.768 -8.161 1.00 0.00 N ATOM 306 CA VAL A 20 10.526 23.395 -6.802 1.00 0.00 C ATOM 307 C VAL A 20 9.287 23.211 -5.923 1.00 0.00 C ATOM 308 O VAL A 20 8.368 24.025 -5.982 1.00 0.00 O ATOM 309 CB VAL A 20 11.453 24.471 -6.184 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.899 24.053 -4.773 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.701 24.720 -7.047 1.00 0.00 C ATOM 0 H VAL A 20 9.864 24.758 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 20 11.090 22.464 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 20 10.876 25.394 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.550 24.821 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.023 23.932 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.441 23.109 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.323 25.482 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.269 23.795 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.397 25.061 -8.037 1.00 0.00 H new ATOM 321 N VAL A 21 9.263 22.165 -5.096 1.00 0.00 N ATOM 322 CA VAL A 21 8.184 21.925 -4.120 1.00 0.00 C ATOM 323 C VAL A 21 8.755 21.504 -2.761 1.00 0.00 C ATOM 324 O VAL A 21 9.739 20.769 -2.699 1.00 0.00 O ATOM 325 CB VAL A 21 7.136 20.902 -4.628 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.548 21.315 -5.986 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.673 19.472 -4.761 1.00 0.00 C ATOM 0 H VAL A 21 9.993 21.453 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 21 7.659 22.872 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 21 6.365 20.907 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.818 20.572 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.061 22.286 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.348 21.381 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.879 18.817 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.503 19.459 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.019 19.121 -3.789 1.00 0.00 H new ATOM 337 N LEU A 22 8.133 21.975 -1.676 1.00 0.00 N ATOM 338 CA LEU A 22 8.430 21.577 -0.294 1.00 0.00 C ATOM 339 C LEU A 22 7.388 20.567 0.219 1.00 0.00 C ATOM 340 O LEU A 22 6.197 20.698 -0.079 1.00 0.00 O ATOM 341 CB LEU A 22 8.437 22.829 0.619 1.00 0.00 C ATOM 342 CG LEU A 22 9.706 23.710 0.642 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.886 22.960 1.275 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.102 24.252 -0.737 1.00 0.00 C ATOM 0 H LEU A 22 7.385 22.666 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 22 9.411 21.103 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.599 23.460 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.243 22.498 1.639 1.00 0.00 H new ATOM 0 HG LEU A 22 9.454 24.574 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.766 23.603 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.634 22.684 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.097 22.060 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.001 24.861 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.296 23.419 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.290 24.861 -1.135 1.00 0.00 H new ATOM 356 N PHE A 23 7.835 19.625 1.054 1.00 0.00 N ATOM 357 CA PHE A 23 7.005 18.695 1.825 1.00 0.00 C ATOM 358 C PHE A 23 7.342 18.828 3.319 1.00 0.00 C ATOM 359 O PHE A 23 8.471 18.548 3.725 1.00 0.00 O ATOM 360 CB PHE A 23 7.273 17.259 1.343 1.00 0.00 C ATOM 361 CG PHE A 23 6.878 16.974 -0.091 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.522 16.787 -0.415 1.00 0.00 C ATOM 363 CD2 PHE A 23 7.859 16.863 -1.095 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.145 16.502 -1.739 1.00 0.00 C ATOM 365 CE2 PHE A 23 7.480 16.559 -2.416 1.00 0.00 C ATOM 366 CZ PHE A 23 6.123 16.388 -2.740 1.00 0.00 C ATOM 0 H PHE A 23 8.832 19.483 1.219 1.00 0.00 H new ATOM 0 HA PHE A 23 5.950 18.929 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.336 17.047 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.737 16.569 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.769 16.863 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.901 17.011 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.102 16.371 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.234 16.457 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.833 16.169 -3.757 1.00 0.00 H new ATOM 376 N MET A 24 6.371 19.266 4.133 1.00 0.00 N ATOM 377 CA MET A 24 6.529 19.555 5.575 1.00 0.00 C ATOM 378 C MET A 24 5.176 19.818 6.272 1.00 0.00 C ATOM 379 O MET A 24 4.127 19.581 5.681 1.00 0.00 O ATOM 380 CB MET A 24 7.609 20.649 5.805 1.00 0.00 C ATOM 381 CG MET A 24 7.688 21.799 4.786 1.00 0.00 C ATOM 382 SD MET A 24 6.169 22.742 4.501 1.00 0.00 S ATOM 383 CE MET A 24 6.928 24.319 4.018 1.00 0.00 C ATOM 0 H MET A 24 5.422 19.436 3.800 1.00 0.00 H new ATOM 0 HA MET A 24 6.908 18.661 6.070 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.441 21.084 6.790 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.582 20.159 5.834 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.462 22.492 5.116 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.016 21.386 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.150 25.071 3.884 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.617 24.645 4.797 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.473 24.189 3.083 1.00 0.00 H new ATOM 393 N LYS A 25 5.173 20.228 7.545 1.00 0.00 N ATOM 394 CA LYS A 25 3.963 20.522 8.346 1.00 0.00 C ATOM 395 C LYS A 25 3.390 21.941 8.094 1.00 0.00 C ATOM 396 O LYS A 25 3.644 22.528 7.042 1.00 0.00 O ATOM 397 CB LYS A 25 4.285 20.199 9.827 1.00 0.00 C ATOM 398 CG LYS A 25 5.341 21.104 10.489 1.00 0.00 C ATOM 399 CD LYS A 25 5.642 20.633 11.919 1.00 0.00 C ATOM 400 CE LYS A 25 6.693 21.543 12.575 1.00 0.00 C ATOM 401 NZ LYS A 25 7.012 21.114 13.965 1.00 0.00 N ATOM 0 H LYS A 25 6.036 20.371 8.070 1.00 0.00 H new ATOM 0 HA LYS A 25 3.139 19.883 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.362 20.265 10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.627 19.166 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.257 21.095 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.984 22.134 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.727 20.639 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.003 19.605 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.603 21.536 11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.327 22.570 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.724 21.754 14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.149 21.145 14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.386 20.144 13.952 1.00 0.00 H new ATOM 415 N GLY A 26 2.657 22.536 9.048 1.00 0.00 N ATOM 416 CA GLY A 26 2.239 23.957 9.028 1.00 0.00 C ATOM 417 C GLY A 26 1.281 24.300 7.878 1.00 0.00 C ATOM 418 O GLY A 26 0.477 23.460 7.471 1.00 0.00 O ATOM 0 H GLY A 26 2.329 22.037 9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.757 24.199 9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.125 24.587 8.951 1.00 0.00 H new ATOM 422 N THR A 27 1.383 25.531 7.358 1.00 0.00 N ATOM 423 CA THR A 27 0.721 25.999 6.123 1.00 0.00 C ATOM 424 C THR A 27 1.758 26.644 5.202 1.00 0.00 C ATOM 425 O THR A 27 2.920 26.797 5.573 1.00 0.00 O ATOM 426 CB THR A 27 -0.444 26.963 6.409 1.00 0.00 C ATOM 427 OG1 THR A 27 0.059 28.167 6.927 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.468 26.391 7.388 1.00 0.00 C ATOM 0 H THR A 27 1.948 26.257 7.798 1.00 0.00 H new ATOM 0 HA THR A 27 0.284 25.133 5.626 1.00 0.00 H new ATOM 0 HB THR A 27 -0.956 27.128 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.209 28.257 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.264 27.118 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.891 25.474 6.977 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.980 26.172 8.338 1.00 0.00 H new ATOM 436 N LYS A 28 1.370 27.051 3.994 1.00 0.00 N ATOM 437 CA LYS A 28 2.271 27.807 3.108 1.00 0.00 C ATOM 438 C LYS A 28 2.581 29.232 3.636 1.00 0.00 C ATOM 439 O LYS A 28 3.543 29.859 3.185 1.00 0.00 O ATOM 440 CB LYS A 28 1.682 27.768 1.685 1.00 0.00 C ATOM 441 CG LYS A 28 2.626 28.366 0.625 1.00 0.00 C ATOM 442 CD LYS A 28 2.344 27.851 -0.793 1.00 0.00 C ATOM 443 CE LYS A 28 0.886 28.058 -1.231 1.00 0.00 C ATOM 444 NZ LYS A 28 0.660 27.536 -2.604 1.00 0.00 N ATOM 0 H LYS A 28 0.445 26.874 3.603 1.00 0.00 H new ATOM 0 HA LYS A 28 3.254 27.337 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.455 26.735 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.739 28.315 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.533 29.452 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.657 28.132 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.004 28.360 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.584 26.789 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.218 27.554 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.640 29.119 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.350 27.611 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.218 28.092 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.953 26.539 -2.649 1.00 0.00 H new ATOM 458 N ASP A 29 1.812 29.730 4.615 1.00 0.00 N ATOM 459 CA ASP A 29 2.029 31.025 5.276 1.00 0.00 C ATOM 460 C ASP A 29 2.747 30.909 6.640 1.00 0.00 C ATOM 461 O ASP A 29 3.616 31.730 6.939 1.00 0.00 O ATOM 462 CB ASP A 29 0.674 31.731 5.442 1.00 0.00 C ATOM 463 CG ASP A 29 0.849 33.190 5.893 1.00 0.00 C ATOM 464 OD1 ASP A 29 1.293 34.022 5.063 1.00 0.00 O ATOM 465 OD2 ASP A 29 0.528 33.509 7.062 1.00 0.00 O ATOM 0 H ASP A 29 1.001 29.230 4.978 1.00 0.00 H new ATOM 0 HA ASP A 29 2.694 31.609 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.131 31.704 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.070 31.193 6.173 1.00 0.00 H new ATOM 470 N PHE A 30 2.411 29.896 7.454 1.00 0.00 N ATOM 471 CA PHE A 30 2.948 29.720 8.809 1.00 0.00 C ATOM 472 C PHE A 30 4.237 28.865 8.797 1.00 0.00 C ATOM 473 O PHE A 30 4.172 27.698 8.392 1.00 0.00 O ATOM 474 CB PHE A 30 1.882 29.073 9.717 1.00 0.00 C ATOM 475 CG PHE A 30 0.532 29.771 9.822 1.00 0.00 C ATOM 476 CD1 PHE A 30 0.417 31.176 9.778 1.00 0.00 C ATOM 477 CD2 PHE A 30 -0.630 28.995 10.000 1.00 0.00 C ATOM 478 CE1 PHE A 30 -0.846 31.789 9.880 1.00 0.00 C ATOM 479 CE2 PHE A 30 -1.891 29.606 10.096 1.00 0.00 C ATOM 480 CZ PHE A 30 -2.001 31.005 10.036 1.00 0.00 C ATOM 0 H PHE A 30 1.750 29.168 7.184 1.00 0.00 H new ATOM 0 HA PHE A 30 3.206 30.703 9.203 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.709 28.057 9.362 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.299 28.993 10.721 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.302 31.784 9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.551 27.920 10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.927 32.865 9.838 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.777 29.000 10.216 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.970 31.476 10.110 1.00 0.00 H new ATOM 490 N PRO A 31 5.395 29.394 9.252 1.00 0.00 N ATOM 491 CA PRO A 31 6.678 28.706 9.159 1.00 0.00 C ATOM 492 C PRO A 31 6.772 27.516 10.121 1.00 0.00 C ATOM 493 O PRO A 31 6.419 27.595 11.298 1.00 0.00 O ATOM 494 CB PRO A 31 7.751 29.761 9.447 1.00 0.00 C ATOM 495 CG PRO A 31 7.020 30.783 10.316 1.00 0.00 C ATOM 496 CD PRO A 31 5.601 30.746 9.751 1.00 0.00 C ATOM 0 HA PRO A 31 6.811 28.273 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.607 29.331 9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.128 30.211 8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.044 30.509 11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.463 31.775 10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.869 30.992 10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.481 31.478 8.952 1.00 0.00 H new ATOM 504 N GLN A 32 7.269 26.404 9.579 1.00 0.00 N ATOM 505 CA GLN A 32 7.370 25.088 10.212 1.00 0.00 C ATOM 506 C GLN A 32 8.578 24.966 11.152 1.00 0.00 C ATOM 507 O GLN A 32 8.513 24.261 12.160 1.00 0.00 O ATOM 508 CB GLN A 32 7.526 24.037 9.088 1.00 0.00 C ATOM 509 CG GLN A 32 6.308 23.883 8.157 1.00 0.00 C ATOM 510 CD GLN A 32 6.038 25.030 7.171 1.00 0.00 C ATOM 511 OE1 GLN A 32 6.858 25.904 6.918 1.00 0.00 O ATOM 512 NE2 GLN A 32 4.856 25.059 6.602 1.00 0.00 N ATOM 0 H GLN A 32 7.635 26.397 8.627 1.00 0.00 H new ATOM 0 HA GLN A 32 6.473 24.934 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.393 24.302 8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.738 23.070 9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.433 22.965 7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.421 23.753 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.171 24.332 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.622 25.808 5.951 1.00 0.00 H new ATOM 521 N CYS A 33 9.683 25.633 10.793 1.00 0.00 N ATOM 522 CA CYS A 33 11.021 25.526 11.389 1.00 0.00 C ATOM 523 C CYS A 33 11.932 26.592 10.764 1.00 0.00 C ATOM 524 O CYS A 33 11.716 26.976 9.611 1.00 0.00 O ATOM 525 CB CYS A 33 11.541 24.088 11.165 1.00 0.00 C ATOM 526 SG CYS A 33 13.143 23.831 11.990 1.00 0.00 S ATOM 0 H CYS A 33 9.664 26.307 10.027 1.00 0.00 H new ATOM 0 HA CYS A 33 11.000 25.709 12.463 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.813 23.372 11.547 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.645 23.898 10.097 1.00 0.00 H new ATOM 0 HG CYS A 33 13.548 22.613 11.782 1.00 0.00 H new ATOM 532 N GLY A 34 12.969 27.038 11.480 1.00 0.00 N ATOM 533 CA GLY A 34 13.889 28.088 11.018 1.00 0.00 C ATOM 534 C GLY A 34 14.625 27.723 9.728 1.00 0.00 C ATOM 535 O GLY A 34 14.795 28.583 8.865 1.00 0.00 O ATOM 0 H GLY A 34 13.198 26.678 12.407 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.328 29.009 10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.620 28.291 11.800 1.00 0.00 H new ATOM 539 N PHE A 35 14.985 26.446 9.543 1.00 0.00 N ATOM 540 CA PHE A 35 15.572 25.947 8.293 1.00 0.00 C ATOM 541 C PHE A 35 14.575 26.050 7.137 1.00 0.00 C ATOM 542 O PHE A 35 14.882 26.650 6.115 1.00 0.00 O ATOM 543 CB PHE A 35 16.068 24.504 8.488 1.00 0.00 C ATOM 544 CG PHE A 35 17.135 24.346 9.555 1.00 0.00 C ATOM 545 CD1 PHE A 35 18.414 24.902 9.356 1.00 0.00 C ATOM 546 CD2 PHE A 35 16.863 23.635 10.739 1.00 0.00 C ATOM 547 CE1 PHE A 35 19.406 24.758 10.342 1.00 0.00 C ATOM 548 CE2 PHE A 35 17.858 23.489 11.723 1.00 0.00 C ATOM 549 CZ PHE A 35 19.131 24.054 11.526 1.00 0.00 C ATOM 0 H PHE A 35 14.877 25.728 10.259 1.00 0.00 H new ATOM 0 HA PHE A 35 16.427 26.570 8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.218 23.872 8.745 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.462 24.137 7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.633 25.439 8.445 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.887 23.200 10.893 1.00 0.00 H new ATOM 0 HE1 PHE A 35 20.384 25.191 10.188 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.644 22.943 12.630 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.894 23.947 12.282 1.00 0.00 H new ATOM 559 N SER A 36 13.355 25.532 7.299 1.00 0.00 N ATOM 560 CA SER A 36 12.298 25.592 6.273 1.00 0.00 C ATOM 561 C SER A 36 11.932 27.041 5.909 1.00 0.00 C ATOM 562 O SER A 36 11.880 27.383 4.727 1.00 0.00 O ATOM 563 CB SER A 36 11.065 24.819 6.765 1.00 0.00 C ATOM 564 OG SER A 36 11.452 23.507 7.138 1.00 0.00 O ATOM 0 H SER A 36 13.065 25.054 8.152 1.00 0.00 H new ATOM 0 HA SER A 36 12.676 25.127 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.615 25.333 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.310 24.778 5.980 1.00 0.00 H new ATOM 0 HG SER A 36 12.026 23.125 6.442 1.00 0.00 H new ATOM 570 N GLN A 37 11.802 27.929 6.903 1.00 0.00 N ATOM 571 CA GLN A 37 11.572 29.363 6.685 1.00 0.00 C ATOM 572 C GLN A 37 12.724 29.984 5.879 1.00 0.00 C ATOM 573 O GLN A 37 12.478 30.664 4.882 1.00 0.00 O ATOM 574 CB GLN A 37 11.390 30.043 8.053 1.00 0.00 C ATOM 575 CG GLN A 37 10.969 31.520 7.935 1.00 0.00 C ATOM 576 CD GLN A 37 10.709 32.198 9.289 1.00 0.00 C ATOM 577 OE1 GLN A 37 11.025 31.694 10.361 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.111 33.374 9.295 1.00 0.00 N ATOM 0 H GLN A 37 11.854 27.671 7.888 1.00 0.00 H new ATOM 0 HA GLN A 37 10.667 29.513 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.638 29.500 8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.324 29.980 8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.748 32.070 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.066 31.584 7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.839 33.812 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.921 33.845 10.180 1.00 0.00 H new ATOM 587 N THR A 38 13.977 29.683 6.252 1.00 0.00 N ATOM 588 CA THR A 38 15.175 30.118 5.520 1.00 0.00 C ATOM 589 C THR A 38 15.157 29.586 4.090 1.00 0.00 C ATOM 590 O THR A 38 15.371 30.362 3.173 1.00 0.00 O ATOM 591 CB THR A 38 16.461 29.733 6.270 1.00 0.00 C ATOM 592 OG1 THR A 38 16.433 30.301 7.559 1.00 0.00 O ATOM 593 CG2 THR A 38 17.708 30.287 5.585 1.00 0.00 C ATOM 0 H THR A 38 14.189 29.125 7.079 1.00 0.00 H new ATOM 0 HA THR A 38 15.164 31.206 5.461 1.00 0.00 H new ATOM 0 HB THR A 38 16.503 28.644 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.872 29.752 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.594 29.992 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.773 29.891 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.649 31.375 5.546 1.00 0.00 H new ATOM 601 N VAL A 39 14.827 28.311 3.877 1.00 0.00 N ATOM 602 CA VAL A 39 14.689 27.704 2.536 1.00 0.00 C ATOM 603 C VAL A 39 13.595 28.379 1.698 1.00 0.00 C ATOM 604 O VAL A 39 13.828 28.674 0.528 1.00 0.00 O ATOM 605 CB VAL A 39 14.459 26.178 2.621 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.014 25.556 1.290 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.764 25.507 3.064 1.00 0.00 C ATOM 0 H VAL A 39 14.644 27.655 4.636 1.00 0.00 H new ATOM 0 HA VAL A 39 15.636 27.873 2.023 1.00 0.00 H new ATOM 0 HB VAL A 39 13.654 26.014 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.870 24.483 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.077 26.012 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.779 25.731 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.615 24.429 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.548 25.723 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.057 25.891 4.041 1.00 0.00 H new ATOM 617 N VAL A 40 12.431 28.668 2.286 1.00 0.00 N ATOM 618 CA VAL A 40 11.337 29.402 1.626 1.00 0.00 C ATOM 619 C VAL A 40 11.811 30.794 1.167 1.00 0.00 C ATOM 620 O VAL A 40 11.613 31.158 0.006 1.00 0.00 O ATOM 621 CB VAL A 40 10.102 29.446 2.563 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.078 30.551 2.257 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.384 28.081 2.535 1.00 0.00 C ATOM 0 H VAL A 40 12.215 28.397 3.245 1.00 0.00 H new ATOM 0 HA VAL A 40 11.032 28.880 0.719 1.00 0.00 H new ATOM 0 HB VAL A 40 10.504 29.679 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.256 30.492 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.559 31.526 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.692 30.419 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.516 28.113 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.060 27.861 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.068 27.303 2.874 1.00 0.00 H new ATOM 633 N GLN A 41 12.509 31.542 2.035 1.00 0.00 N ATOM 634 CA GLN A 41 13.118 32.832 1.676 1.00 0.00 C ATOM 635 C GLN A 41 14.245 32.690 0.635 1.00 0.00 C ATOM 636 O GLN A 41 14.341 33.520 -0.269 1.00 0.00 O ATOM 637 CB GLN A 41 13.640 33.531 2.947 1.00 0.00 C ATOM 638 CG GLN A 41 12.524 33.981 3.907 1.00 0.00 C ATOM 639 CD GLN A 41 11.623 35.062 3.305 1.00 0.00 C ATOM 640 OE1 GLN A 41 10.544 34.791 2.793 1.00 0.00 O ATOM 641 NE2 GLN A 41 12.034 36.314 3.309 1.00 0.00 N ATOM 0 H GLN A 41 12.667 31.270 3.005 1.00 0.00 H new ATOM 0 HA GLN A 41 12.343 33.441 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.310 32.853 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.230 34.400 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.916 33.118 4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.972 34.359 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.930 36.555 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.456 37.042 2.889 1.00 0.00 H new ATOM 650 N ILE A 42 15.070 31.640 0.725 1.00 0.00 N ATOM 651 CA ILE A 42 16.172 31.330 -0.206 1.00 0.00 C ATOM 652 C ILE A 42 15.665 31.148 -1.635 1.00 0.00 C ATOM 653 O ILE A 42 16.205 31.783 -2.530 1.00 0.00 O ATOM 654 CB ILE A 42 16.979 30.102 0.309 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.059 30.590 1.301 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.585 29.218 -0.802 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.801 29.457 2.026 1.00 0.00 C ATOM 0 H ILE A 42 14.989 30.954 1.476 1.00 0.00 H new ATOM 0 HA ILE A 42 16.854 32.179 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 42 16.271 29.445 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.785 31.198 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.590 31.236 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.129 28.388 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.786 28.828 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.269 29.813 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.542 29.882 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.088 28.861 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.301 28.823 1.294 1.00 0.00 H new ATOM 669 N LEU A 43 14.628 30.339 -1.863 1.00 0.00 N ATOM 670 CA LEU A 43 14.077 30.100 -3.206 1.00 0.00 C ATOM 671 C LEU A 43 13.518 31.396 -3.799 1.00 0.00 C ATOM 672 O LEU A 43 13.867 31.788 -4.919 1.00 0.00 O ATOM 673 CB LEU A 43 12.979 29.025 -3.115 1.00 0.00 C ATOM 674 CG LEU A 43 13.489 27.626 -2.721 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.273 26.753 -2.395 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.337 26.993 -3.834 1.00 0.00 C ATOM 0 H LEU A 43 14.144 29.829 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 43 14.871 29.750 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.234 29.345 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.474 28.956 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 43 14.139 27.710 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.607 25.755 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.717 27.197 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.628 26.685 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.677 26.007 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.736 26.896 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.200 27.626 -4.038 1.00 0.00 H new ATOM 688 N LYS A 44 12.712 32.106 -3.000 1.00 0.00 N ATOM 689 CA LYS A 44 12.173 33.407 -3.383 1.00 0.00 C ATOM 690 C LYS A 44 13.309 34.332 -3.858 1.00 0.00 C ATOM 691 O LYS A 44 13.303 34.750 -5.017 1.00 0.00 O ATOM 692 CB LYS A 44 11.375 33.981 -2.191 1.00 0.00 C ATOM 693 CG LYS A 44 10.296 35.001 -2.589 1.00 0.00 C ATOM 694 CD LYS A 44 9.096 34.346 -3.298 1.00 0.00 C ATOM 695 CE LYS A 44 7.889 35.292 -3.416 1.00 0.00 C ATOM 696 NZ LYS A 44 8.129 36.438 -4.337 1.00 0.00 N ATOM 0 H LYS A 44 12.419 31.792 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 44 11.487 33.313 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.902 33.158 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.070 34.455 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.947 35.522 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.736 35.752 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.399 34.024 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.799 33.451 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.026 34.727 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.638 35.675 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.280 37.038 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.934 36.998 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.341 36.079 -5.290 1.00 0.00 H new ATOM 710 N SER A 45 14.313 34.535 -2.994 1.00 0.00 N ATOM 711 CA SER A 45 15.471 35.434 -3.160 1.00 0.00 C ATOM 712 C SER A 45 16.470 35.006 -4.251 1.00 0.00 C ATOM 713 O SER A 45 17.072 35.869 -4.894 1.00 0.00 O ATOM 714 CB SER A 45 16.242 35.551 -1.832 1.00 0.00 C ATOM 715 OG SER A 45 15.402 35.922 -0.749 1.00 0.00 O ATOM 0 H SER A 45 14.343 34.045 -2.100 1.00 0.00 H new ATOM 0 HA SER A 45 15.043 36.386 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.720 34.597 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.037 36.288 -1.941 1.00 0.00 H new ATOM 0 HG SER A 45 15.048 35.116 -0.319 1.00 0.00 H new ATOM 721 N LEU A 46 16.624 33.694 -4.494 1.00 0.00 N ATOM 722 CA LEU A 46 17.363 33.131 -5.630 1.00 0.00 C ATOM 723 C LEU A 46 16.753 33.628 -6.952 1.00 0.00 C ATOM 724 O LEU A 46 17.478 33.781 -7.934 1.00 0.00 O ATOM 725 CB LEU A 46 17.331 31.591 -5.495 1.00 0.00 C ATOM 726 CG LEU A 46 17.954 30.780 -6.647 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.448 31.082 -6.832 1.00 0.00 C ATOM 728 CD2 LEU A 46 17.771 29.280 -6.366 1.00 0.00 C ATOM 0 H LEU A 46 16.226 32.978 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 46 18.403 33.458 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.844 31.320 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.292 31.281 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 46 17.444 31.067 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.840 30.486 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.580 32.141 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.985 30.834 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.210 28.701 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.265 29.022 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.708 29.051 -6.291 1.00 0.00 H new ATOM 740 N ASN A 47 15.438 33.894 -6.927 1.00 0.00 N ATOM 741 CA ASN A 47 14.584 34.573 -7.917 1.00 0.00 C ATOM 742 C ASN A 47 13.658 33.540 -8.564 1.00 0.00 C ATOM 743 O ASN A 47 13.696 33.321 -9.780 1.00 0.00 O ATOM 744 CB ASN A 47 15.350 35.459 -8.927 1.00 0.00 C ATOM 745 CG ASN A 47 14.432 36.359 -9.757 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.249 36.531 -9.477 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.958 36.971 -10.803 1.00 0.00 N ATOM 0 H ASN A 47 14.883 33.606 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 47 13.972 35.306 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.065 36.080 -8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.925 34.820 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.381 37.586 -11.377 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.941 36.829 -11.036 1.00 0.00 H new ATOM 754 N ALA A 48 12.871 32.849 -7.730 1.00 0.00 N ATOM 755 CA ALA A 48 12.109 31.675 -8.190 1.00 0.00 C ATOM 756 C ALA A 48 10.776 31.417 -7.452 1.00 0.00 C ATOM 757 O ALA A 48 10.671 31.722 -6.258 1.00 0.00 O ATOM 758 CB ALA A 48 13.028 30.441 -8.087 1.00 0.00 C ATOM 0 H ALA A 48 12.744 33.077 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 48 11.808 31.879 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.487 29.556 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.907 30.589 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.340 30.305 -7.051 1.00 0.00 H new ATOM 764 N PRO A 49 9.776 30.826 -8.148 1.00 0.00 N ATOM 765 CA PRO A 49 8.550 30.319 -7.546 1.00 0.00 C ATOM 766 C PRO A 49 8.794 28.925 -6.944 1.00 0.00 C ATOM 767 O PRO A 49 9.803 28.271 -7.222 1.00 0.00 O ATOM 768 CB PRO A 49 7.543 30.260 -8.699 1.00 0.00 C ATOM 769 CG PRO A 49 8.420 29.876 -9.889 1.00 0.00 C ATOM 770 CD PRO A 49 9.730 30.607 -9.594 1.00 0.00 C ATOM 0 HA PRO A 49 8.189 30.947 -6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.761 29.522 -8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.047 31.218 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.564 28.798 -9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.982 30.196 -10.834 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.585 30.016 -9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.773 31.555 -10.130 1.00 0.00 H new ATOM 778 N PHE A 50 7.833 28.466 -6.138 1.00 0.00 N ATOM 779 CA PHE A 50 7.833 27.164 -5.465 1.00 0.00 C ATOM 780 C PHE A 50 6.460 26.865 -4.841 1.00 0.00 C ATOM 781 O PHE A 50 5.670 27.777 -4.579 1.00 0.00 O ATOM 782 CB PHE A 50 8.959 27.082 -4.413 1.00 0.00 C ATOM 783 CG PHE A 50 8.916 28.178 -3.368 1.00 0.00 C ATOM 784 CD1 PHE A 50 9.554 29.405 -3.621 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.208 27.993 -2.166 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.458 30.455 -2.696 1.00 0.00 C ATOM 787 CE2 PHE A 50 8.113 29.045 -1.237 1.00 0.00 C ATOM 788 CZ PHE A 50 8.727 30.282 -1.511 1.00 0.00 C ATOM 0 H PHE A 50 6.999 29.014 -5.928 1.00 0.00 H new ATOM 0 HA PHE A 50 8.028 26.398 -6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.903 26.116 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.921 27.120 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.120 29.540 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.738 27.044 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.947 31.397 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.570 28.904 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.635 31.098 -0.809 1.00 0.00 H new ATOM 798 N GLU A 51 6.185 25.580 -4.595 1.00 0.00 N ATOM 799 CA GLU A 51 4.971 25.105 -3.919 1.00 0.00 C ATOM 800 C GLU A 51 5.318 24.544 -2.529 1.00 0.00 C ATOM 801 O GLU A 51 6.483 24.347 -2.188 1.00 0.00 O ATOM 802 CB GLU A 51 4.250 24.071 -4.813 1.00 0.00 C ATOM 803 CG GLU A 51 2.767 24.381 -5.042 1.00 0.00 C ATOM 804 CD GLU A 51 1.926 24.144 -3.787 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.900 25.050 -2.921 1.00 0.00 O ATOM 806 OE2 GLU A 51 1.310 23.062 -3.660 1.00 0.00 O ATOM 0 H GLU A 51 6.813 24.824 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 51 4.285 25.937 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.755 24.023 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.340 23.085 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.659 25.418 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.389 23.759 -5.853 1.00 0.00 H new ATOM 813 N SER A 52 4.330 24.286 -1.681 1.00 0.00 N ATOM 814 CA SER A 52 4.541 23.721 -0.342 1.00 0.00 C ATOM 815 C SER A 52 3.353 22.841 0.071 1.00 0.00 C ATOM 816 O SER A 52 2.282 23.347 0.411 1.00 0.00 O ATOM 817 CB SER A 52 4.800 24.843 0.675 1.00 0.00 C ATOM 818 OG SER A 52 5.980 25.562 0.339 1.00 0.00 O ATOM 0 H SER A 52 3.349 24.462 -1.899 1.00 0.00 H new ATOM 0 HA SER A 52 5.424 23.082 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.948 25.523 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.898 24.419 1.675 1.00 0.00 H new ATOM 0 HG SER A 52 6.388 25.167 -0.460 1.00 0.00 H new ATOM 824 N VAL A 53 3.546 21.518 0.036 1.00 0.00 N ATOM 825 CA VAL A 53 2.534 20.512 0.379 1.00 0.00 C ATOM 826 C VAL A 53 2.598 20.258 1.885 1.00 0.00 C ATOM 827 O VAL A 53 3.624 19.809 2.400 1.00 0.00 O ATOM 828 CB VAL A 53 2.755 19.201 -0.412 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.737 18.115 -0.024 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.677 19.435 -1.931 1.00 0.00 C ATOM 0 H VAL A 53 4.437 21.105 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 53 1.546 20.883 0.107 1.00 0.00 H new ATOM 0 HB VAL A 53 3.756 18.858 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.929 17.212 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.831 17.891 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.728 18.471 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.837 18.492 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.694 19.830 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.444 20.149 -2.229 1.00 0.00 H new ATOM 840 N ASN A 54 1.499 20.544 2.587 1.00 0.00 N ATOM 841 CA ASN A 54 1.395 20.358 4.034 1.00 0.00 C ATOM 842 C ASN A 54 0.969 18.907 4.327 1.00 0.00 C ATOM 843 O ASN A 54 -0.198 18.543 4.177 1.00 0.00 O ATOM 844 CB ASN A 54 0.470 21.429 4.629 1.00 0.00 C ATOM 845 CG ASN A 54 0.927 22.838 4.242 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.212 23.578 3.578 1.00 0.00 O ATOM 847 ND2 ASN A 54 2.134 23.244 4.602 1.00 0.00 N ATOM 0 H ASN A 54 0.649 20.915 2.162 1.00 0.00 H new ATOM 0 HA ASN A 54 2.358 20.498 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.550 21.267 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.453 21.335 5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.464 24.169 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.734 22.632 5.155 1.00 0.00 H new ATOM 854 N ILE A 55 1.932 18.062 4.710 1.00 0.00 N ATOM 855 CA ILE A 55 1.755 16.596 4.806 1.00 0.00 C ATOM 856 C ILE A 55 1.214 16.074 6.142 1.00 0.00 C ATOM 857 O ILE A 55 0.488 15.087 6.147 1.00 0.00 O ATOM 858 CB ILE A 55 3.083 15.870 4.463 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.280 16.284 5.348 1.00 0.00 C ATOM 860 CG2 ILE A 55 3.451 16.100 2.990 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.250 15.132 5.615 1.00 0.00 C ATOM 0 H ILE A 55 2.869 18.373 4.966 1.00 0.00 H new ATOM 0 HA ILE A 55 0.979 16.369 4.076 1.00 0.00 H new ATOM 0 HB ILE A 55 2.894 14.815 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.817 17.100 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.908 16.666 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.385 15.585 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.658 15.711 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.572 17.168 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.069 15.484 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.724 14.325 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.648 14.765 4.669 1.00 0.00 H new ATOM 873 N LEU A 56 1.531 16.718 7.272 1.00 0.00 N ATOM 874 CA LEU A 56 1.262 16.163 8.615 1.00 0.00 C ATOM 875 C LEU A 56 -0.226 15.917 8.930 1.00 0.00 C ATOM 876 O LEU A 56 -0.534 15.037 9.735 1.00 0.00 O ATOM 877 CB LEU A 56 1.957 17.035 9.687 1.00 0.00 C ATOM 878 CG LEU A 56 3.283 16.471 10.245 1.00 0.00 C ATOM 879 CD1 LEU A 56 3.072 15.172 11.038 1.00 0.00 C ATOM 880 CD2 LEU A 56 4.332 16.249 9.143 1.00 0.00 C ATOM 0 H LEU A 56 1.979 17.634 7.287 1.00 0.00 H new ATOM 0 HA LEU A 56 1.692 15.161 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.152 18.019 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.266 17.179 10.517 1.00 0.00 H new ATOM 0 HG LEU A 56 3.664 17.231 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.031 14.813 11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.405 15.363 11.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.630 14.417 10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.246 15.852 9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.946 15.540 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.549 17.197 8.651 1.00 0.00 H new ATOM 892 N GLU A 57 -1.140 16.636 8.275 1.00 0.00 N ATOM 893 CA GLU A 57 -2.590 16.476 8.445 1.00 0.00 C ATOM 894 C GLU A 57 -3.189 15.221 7.768 1.00 0.00 C ATOM 895 O GLU A 57 -4.357 14.907 8.015 1.00 0.00 O ATOM 896 CB GLU A 57 -3.310 17.753 7.972 1.00 0.00 C ATOM 897 CG GLU A 57 -3.184 18.030 6.467 1.00 0.00 C ATOM 898 CD GLU A 57 -3.990 19.277 6.075 1.00 0.00 C ATOM 899 OE1 GLU A 57 -3.459 20.407 6.192 1.00 0.00 O ATOM 900 OE2 GLU A 57 -5.161 19.139 5.648 1.00 0.00 O ATOM 0 H GLU A 57 -0.891 17.359 7.600 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.754 16.319 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.367 17.676 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.910 18.606 8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.135 18.171 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.540 17.168 5.903 1.00 0.00 H new ATOM 907 N ASN A 58 -2.437 14.505 6.916 1.00 0.00 N ATOM 908 CA ASN A 58 -2.965 13.423 6.070 1.00 0.00 C ATOM 909 C ASN A 58 -2.075 12.158 6.066 1.00 0.00 C ATOM 910 O ASN A 58 -0.923 12.186 5.634 1.00 0.00 O ATOM 911 CB ASN A 58 -3.176 13.990 4.655 1.00 0.00 C ATOM 912 CG ASN A 58 -3.854 12.983 3.738 1.00 0.00 C ATOM 913 OD1 ASN A 58 -3.270 11.973 3.373 1.00 0.00 O ATOM 914 ND2 ASN A 58 -5.103 13.197 3.365 1.00 0.00 N ATOM 0 H ASN A 58 -1.437 14.663 6.794 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.914 13.083 6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.782 14.894 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.214 14.277 4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.581 12.519 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.589 14.040 3.670 1.00 0.00 H new ATOM 921 N GLU A 59 -2.622 11.019 6.512 1.00 0.00 N ATOM 922 CA GLU A 59 -1.877 9.755 6.658 1.00 0.00 C ATOM 923 C GLU A 59 -1.490 9.112 5.317 1.00 0.00 C ATOM 924 O GLU A 59 -0.434 8.483 5.228 1.00 0.00 O ATOM 925 CB GLU A 59 -2.688 8.759 7.506 1.00 0.00 C ATOM 926 CG GLU A 59 -2.853 9.227 8.959 1.00 0.00 C ATOM 927 CD GLU A 59 -3.613 8.182 9.786 1.00 0.00 C ATOM 928 OE1 GLU A 59 -4.865 8.240 9.838 1.00 0.00 O ATOM 929 OE2 GLU A 59 -2.965 7.296 10.393 1.00 0.00 O ATOM 0 H GLU A 59 -3.602 10.945 6.785 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.943 10.004 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.672 8.621 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.193 7.788 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.873 9.405 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.390 10.175 8.981 1.00 0.00 H new ATOM 936 N LEU A 60 -2.303 9.274 4.266 1.00 0.00 N ATOM 937 CA LEU A 60 -2.025 8.744 2.928 1.00 0.00 C ATOM 938 C LEU A 60 -0.829 9.465 2.292 1.00 0.00 C ATOM 939 O LEU A 60 0.059 8.812 1.751 1.00 0.00 O ATOM 940 CB LEU A 60 -3.328 8.810 2.098 1.00 0.00 C ATOM 941 CG LEU A 60 -3.341 8.148 0.702 1.00 0.00 C ATOM 942 CD1 LEU A 60 -2.721 9.035 -0.385 1.00 0.00 C ATOM 943 CD2 LEU A 60 -2.698 6.753 0.683 1.00 0.00 C ATOM 0 H LEU A 60 -3.184 9.784 4.323 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.722 7.698 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.122 8.355 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.588 9.861 1.970 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.399 8.022 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.759 8.517 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.279 9.968 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.684 9.251 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.741 6.346 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.658 6.827 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.238 6.094 1.363 1.00 0.00 H new ATOM 955 N LEU A 61 -0.737 10.794 2.442 1.00 0.00 N ATOM 956 CA LEU A 61 0.450 11.568 2.051 1.00 0.00 C ATOM 957 C LEU A 61 1.673 11.150 2.880 1.00 0.00 C ATOM 958 O LEU A 61 2.709 10.834 2.301 1.00 0.00 O ATOM 959 CB LEU A 61 0.172 13.084 2.174 1.00 0.00 C ATOM 960 CG LEU A 61 -0.386 13.736 0.890 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.770 13.209 0.491 1.00 0.00 C ATOM 962 CD2 LEU A 61 -0.466 15.257 1.083 1.00 0.00 C ATOM 0 H LEU A 61 -1.485 11.363 2.838 1.00 0.00 H new ATOM 0 HA LEU A 61 0.675 11.354 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.536 13.247 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.097 13.589 2.451 1.00 0.00 H new ATOM 0 HG LEU A 61 0.300 13.476 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.102 13.710 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.713 12.135 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.480 13.408 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.860 15.718 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.125 15.483 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.530 15.651 1.287 1.00 0.00 H new ATOM 974 N ARG A 62 1.551 11.079 4.214 1.00 0.00 N ATOM 975 CA ARG A 62 2.660 10.711 5.118 1.00 0.00 C ATOM 976 C ARG A 62 3.297 9.354 4.776 1.00 0.00 C ATOM 977 O ARG A 62 4.523 9.244 4.767 1.00 0.00 O ATOM 978 CB ARG A 62 2.174 10.717 6.578 1.00 0.00 C ATOM 979 CG ARG A 62 1.964 12.147 7.104 1.00 0.00 C ATOM 980 CD ARG A 62 1.054 12.209 8.340 1.00 0.00 C ATOM 981 NE ARG A 62 1.677 11.611 9.537 1.00 0.00 N ATOM 982 CZ ARG A 62 1.291 11.785 10.799 1.00 0.00 C ATOM 983 NH1 ARG A 62 0.332 12.624 11.137 1.00 0.00 N ATOM 984 NH2 ARG A 62 1.876 11.100 11.758 1.00 0.00 N ATOM 0 H ARG A 62 0.677 11.276 4.702 1.00 0.00 H new ATOM 0 HA ARG A 62 3.438 11.462 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.239 10.161 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.901 10.202 7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.932 12.582 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.533 12.759 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.801 13.249 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.120 11.691 8.124 1.00 0.00 H new ATOM 0 HE ARG A 62 2.483 11.005 9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.145 13.170 10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.067 12.727 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.621 10.440 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.585 11.229 12.727 1.00 0.00 H new ATOM 998 N GLN A 63 2.489 8.328 4.481 1.00 0.00 N ATOM 999 CA GLN A 63 3.003 6.997 4.114 1.00 0.00 C ATOM 1000 C GLN A 63 3.404 6.895 2.629 1.00 0.00 C ATOM 1001 O GLN A 63 4.347 6.178 2.295 1.00 0.00 O ATOM 1002 CB GLN A 63 1.983 5.913 4.521 1.00 0.00 C ATOM 1003 CG GLN A 63 0.749 5.807 3.603 1.00 0.00 C ATOM 1004 CD GLN A 63 -0.386 5.021 4.260 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -0.617 3.849 3.986 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -1.124 5.639 5.160 1.00 0.00 N ATOM 0 H GLN A 63 1.471 8.392 4.489 1.00 0.00 H new ATOM 0 HA GLN A 63 3.926 6.831 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.488 4.947 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.645 6.115 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.398 6.807 3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.032 5.322 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.936 6.614 5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.884 5.142 5.625 1.00 0.00 H new ATOM 1015 N GLY A 64 2.715 7.618 1.734 1.00 0.00 N ATOM 1016 CA GLY A 64 2.877 7.509 0.281 1.00 0.00 C ATOM 1017 C GLY A 64 4.046 8.314 -0.274 1.00 0.00 C ATOM 1018 O GLY A 64 4.749 7.833 -1.160 1.00 0.00 O ATOM 0 H GLY A 64 2.016 8.308 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.014 6.460 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.958 7.841 -0.203 1.00 0.00 H new ATOM 1022 N LEU A 65 4.300 9.516 0.251 1.00 0.00 N ATOM 1023 CA LEU A 65 5.393 10.381 -0.219 1.00 0.00 C ATOM 1024 C LEU A 65 6.776 9.810 0.111 1.00 0.00 C ATOM 1025 O LEU A 65 7.725 10.039 -0.638 1.00 0.00 O ATOM 1026 CB LEU A 65 5.203 11.797 0.346 1.00 0.00 C ATOM 1027 CG LEU A 65 3.995 12.535 -0.263 1.00 0.00 C ATOM 1028 CD1 LEU A 65 3.699 13.777 0.577 1.00 0.00 C ATOM 1029 CD2 LEU A 65 4.260 12.949 -1.717 1.00 0.00 C ATOM 0 H LEU A 65 3.756 9.919 1.014 1.00 0.00 H new ATOM 0 HA LEU A 65 5.350 10.428 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.077 11.736 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.106 12.379 0.163 1.00 0.00 H new ATOM 0 HG LEU A 65 3.140 11.859 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.845 14.307 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.471 13.478 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.570 14.433 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.386 13.467 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.123 13.613 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.459 12.061 -2.318 1.00 0.00 H new ATOM 1041 N LYS A 66 6.891 8.995 1.163 1.00 0.00 N ATOM 1042 CA LYS A 66 8.101 8.215 1.461 1.00 0.00 C ATOM 1043 C LYS A 66 8.451 7.232 0.322 1.00 0.00 C ATOM 1044 O LYS A 66 9.622 7.085 -0.022 1.00 0.00 O ATOM 1045 CB LYS A 66 7.876 7.506 2.812 1.00 0.00 C ATOM 1046 CG LYS A 66 9.141 6.791 3.321 1.00 0.00 C ATOM 1047 CD LYS A 66 8.997 6.287 4.768 1.00 0.00 C ATOM 1048 CE LYS A 66 7.913 5.212 4.969 1.00 0.00 C ATOM 1049 NZ LYS A 66 8.285 3.899 4.370 1.00 0.00 N ATOM 0 H LYS A 66 6.141 8.855 1.840 1.00 0.00 H new ATOM 0 HA LYS A 66 8.966 8.874 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.553 8.237 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.069 6.780 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.365 5.948 2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.988 7.474 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.955 5.883 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.772 7.136 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.731 5.081 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.979 5.557 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.521 3.213 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.433 4.014 3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.161 3.553 4.810 1.00 0.00 H new ATOM 1063 N GLU A 67 7.445 6.617 -0.313 1.00 0.00 N ATOM 1064 CA GLU A 67 7.623 5.762 -1.498 1.00 0.00 C ATOM 1065 C GLU A 67 7.869 6.607 -2.765 1.00 0.00 C ATOM 1066 O GLU A 67 8.784 6.318 -3.536 1.00 0.00 O ATOM 1067 CB GLU A 67 6.384 4.859 -1.658 1.00 0.00 C ATOM 1068 CG GLU A 67 6.556 3.739 -2.691 1.00 0.00 C ATOM 1069 CD GLU A 67 7.628 2.715 -2.277 1.00 0.00 C ATOM 1070 OE1 GLU A 67 7.458 2.041 -1.234 1.00 0.00 O ATOM 1071 OE2 GLU A 67 8.641 2.562 -3.001 1.00 0.00 O ATOM 0 H GLU A 67 6.473 6.699 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 67 8.505 5.137 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.144 4.414 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.532 5.476 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.604 3.227 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.826 4.175 -3.653 1.00 0.00 H new ATOM 1078 N TYR A 68 7.098 7.686 -2.962 1.00 0.00 N ATOM 1079 CA TYR A 68 7.197 8.571 -4.134 1.00 0.00 C ATOM 1080 C TYR A 68 8.573 9.256 -4.259 1.00 0.00 C ATOM 1081 O TYR A 68 9.124 9.361 -5.357 1.00 0.00 O ATOM 1082 CB TYR A 68 6.081 9.627 -4.034 1.00 0.00 C ATOM 1083 CG TYR A 68 5.847 10.459 -5.284 1.00 0.00 C ATOM 1084 CD1 TYR A 68 4.928 10.016 -6.258 1.00 0.00 C ATOM 1085 CD2 TYR A 68 6.510 11.690 -5.462 1.00 0.00 C ATOM 1086 CE1 TYR A 68 4.668 10.798 -7.399 1.00 0.00 C ATOM 1087 CE2 TYR A 68 6.254 12.479 -6.600 1.00 0.00 C ATOM 1088 CZ TYR A 68 5.330 12.034 -7.573 1.00 0.00 C ATOM 1089 OH TYR A 68 5.071 12.785 -8.682 1.00 0.00 O ATOM 0 H TYR A 68 6.376 7.974 -2.301 1.00 0.00 H new ATOM 0 HA TYR A 68 7.082 7.963 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.150 9.122 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.316 10.301 -3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.421 9.071 -6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.219 12.030 -4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.963 10.453 -8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.763 13.423 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 68 5.605 13.606 -8.653 1.00 0.00 H new ATOM 1099 N SER A 69 9.130 9.719 -3.134 1.00 0.00 N ATOM 1100 CA SER A 69 10.399 10.467 -3.087 1.00 0.00 C ATOM 1101 C SER A 69 11.627 9.638 -2.657 1.00 0.00 C ATOM 1102 O SER A 69 12.752 10.061 -2.910 1.00 0.00 O ATOM 1103 CB SER A 69 10.247 11.682 -2.158 1.00 0.00 C ATOM 1104 OG SER A 69 10.048 11.311 -0.801 1.00 0.00 O ATOM 0 H SER A 69 8.708 9.584 -2.215 1.00 0.00 H new ATOM 0 HA SER A 69 10.597 10.774 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.138 12.306 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.405 12.287 -2.493 1.00 0.00 H new ATOM 0 HG SER A 69 9.217 10.798 -0.721 1.00 0.00 H new ATOM 1110 N SER A 70 11.438 8.479 -2.008 1.00 0.00 N ATOM 1111 CA SER A 70 12.485 7.607 -1.417 1.00 0.00 C ATOM 1112 C SER A 70 13.202 8.208 -0.182 1.00 0.00 C ATOM 1113 O SER A 70 14.096 7.575 0.391 1.00 0.00 O ATOM 1114 CB SER A 70 13.517 7.143 -2.467 1.00 0.00 C ATOM 1115 OG SER A 70 12.894 6.514 -3.580 1.00 0.00 O ATOM 0 H SER A 70 10.502 8.097 -1.870 1.00 0.00 H new ATOM 0 HA SER A 70 11.936 6.738 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.095 8.000 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.219 6.450 -2.004 1.00 0.00 H new ATOM 0 HG SER A 70 13.578 6.236 -4.224 1.00 0.00 H new ATOM 1121 N TRP A 71 12.830 9.418 0.253 1.00 0.00 N ATOM 1122 CA TRP A 71 13.477 10.144 1.353 1.00 0.00 C ATOM 1123 C TRP A 71 13.134 9.561 2.751 1.00 0.00 C ATOM 1124 O TRP A 71 11.970 9.206 2.969 1.00 0.00 O ATOM 1125 CB TRP A 71 13.032 11.602 1.262 1.00 0.00 C ATOM 1126 CG TRP A 71 13.667 12.532 2.243 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.035 13.127 3.279 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.061 12.964 2.328 1.00 0.00 C ATOM 1129 NE1 TRP A 71 13.928 13.916 3.971 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.197 13.838 3.445 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.235 12.662 1.604 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.428 14.388 3.828 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.481 13.199 1.986 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.578 14.061 3.093 1.00 0.00 C ATOM 0 H TRP A 71 12.052 9.932 -0.160 1.00 0.00 H new ATOM 0 HA TRP A 71 14.558 10.048 1.249 1.00 0.00 H new ATOM 0 HB2 TRP A 71 13.242 11.965 0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.951 11.643 1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 71 11.991 13.003 3.526 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.678 14.489 4.777 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.177 12.010 0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.491 15.054 4.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.368 12.947 1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.536 14.471 3.377 1.00 0.00 H new ATOM 1145 N PRO A 72 14.089 9.481 3.708 1.00 0.00 N ATOM 1146 CA PRO A 72 13.853 8.903 5.034 1.00 0.00 C ATOM 1147 C PRO A 72 12.824 9.648 5.901 1.00 0.00 C ATOM 1148 O PRO A 72 11.849 9.026 6.331 1.00 0.00 O ATOM 1149 CB PRO A 72 15.221 8.845 5.729 1.00 0.00 C ATOM 1150 CG PRO A 72 16.205 8.818 4.568 1.00 0.00 C ATOM 1151 CD PRO A 72 15.521 9.701 3.531 1.00 0.00 C ATOM 0 HA PRO A 72 13.405 7.918 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.382 9.710 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.316 7.959 6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.181 9.211 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.365 7.806 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.777 10.750 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.836 9.436 2.522 1.00 0.00 H new ATOM 1159 N THR A 73 13.035 10.950 6.176 1.00 0.00 N ATOM 1160 CA THR A 73 12.256 11.725 7.166 1.00 0.00 C ATOM 1161 C THR A 73 12.136 13.201 6.786 1.00 0.00 C ATOM 1162 O THR A 73 13.144 13.898 6.663 1.00 0.00 O ATOM 1163 CB THR A 73 12.880 11.632 8.573 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.218 12.075 8.526 1.00 0.00 O ATOM 1165 CG2 THR A 73 12.859 10.223 9.171 1.00 0.00 C ATOM 0 H THR A 73 13.758 11.500 5.713 1.00 0.00 H new ATOM 0 HA THR A 73 11.261 11.280 7.172 1.00 0.00 H new ATOM 0 HB THR A 73 12.266 12.264 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.307 12.776 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.315 10.241 10.161 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.828 9.878 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.418 9.546 8.526 1.00 0.00 H new ATOM 1173 N PHE A 74 10.902 13.688 6.658 1.00 0.00 N ATOM 1174 CA PHE A 74 10.575 15.091 6.363 1.00 0.00 C ATOM 1175 C PHE A 74 11.018 16.051 7.502 1.00 0.00 C ATOM 1176 O PHE A 74 11.130 15.592 8.648 1.00 0.00 O ATOM 1177 CB PHE A 74 9.063 15.182 6.089 1.00 0.00 C ATOM 1178 CG PHE A 74 8.603 14.316 4.928 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.662 14.820 3.615 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.145 13.002 5.152 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.274 14.009 2.533 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.778 12.186 4.069 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.849 12.689 2.758 1.00 0.00 C ATOM 0 H PHE A 74 10.073 13.102 6.759 1.00 0.00 H new ATOM 0 HA PHE A 74 11.129 15.414 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.521 14.888 6.988 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.801 16.220 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.005 15.829 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.076 12.621 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.303 14.402 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.442 11.174 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.577 12.060 1.923 1.00 0.00 H new ATOM 1193 N PRO A 75 11.226 17.370 7.254 1.00 0.00 N ATOM 1194 CA PRO A 75 11.049 18.124 6.003 1.00 0.00 C ATOM 1195 C PRO A 75 11.887 17.654 4.809 1.00 0.00 C ATOM 1196 O PRO A 75 12.932 17.025 4.975 1.00 0.00 O ATOM 1197 CB PRO A 75 11.436 19.571 6.339 1.00 0.00 C ATOM 1198 CG PRO A 75 11.118 19.688 7.823 1.00 0.00 C ATOM 1199 CD PRO A 75 11.527 18.309 8.331 1.00 0.00 C ATOM 0 HA PRO A 75 10.018 17.985 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.490 19.762 6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.864 20.287 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.685 20.486 8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.063 19.895 8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.587 18.286 8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.979 18.050 9.237 1.00 0.00 H new ATOM 1207 N GLN A 76 11.431 18.002 3.601 1.00 0.00 N ATOM 1208 CA GLN A 76 12.101 17.668 2.342 1.00 0.00 C ATOM 1209 C GLN A 76 11.796 18.712 1.252 1.00 0.00 C ATOM 1210 O GLN A 76 10.692 19.255 1.190 1.00 0.00 O ATOM 1211 CB GLN A 76 11.614 16.280 1.883 1.00 0.00 C ATOM 1212 CG GLN A 76 12.414 15.657 0.724 1.00 0.00 C ATOM 1213 CD GLN A 76 11.559 14.689 -0.100 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.520 14.746 -1.319 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.822 13.791 0.515 1.00 0.00 N ATOM 0 H GLN A 76 10.570 18.533 3.470 1.00 0.00 H new ATOM 0 HA GLN A 76 13.179 17.662 2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.649 15.600 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.570 16.360 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.793 16.448 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.280 15.129 1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.840 13.727 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.232 13.158 -0.026 1.00 0.00 H new ATOM 1224 N LEU A 77 12.768 18.951 0.369 1.00 0.00 N ATOM 1225 CA LEU A 77 12.627 19.722 -0.864 1.00 0.00 C ATOM 1226 C LEU A 77 12.826 18.784 -2.068 1.00 0.00 C ATOM 1227 O LEU A 77 13.678 17.896 -2.051 1.00 0.00 O ATOM 1228 CB LEU A 77 13.628 20.890 -0.823 1.00 0.00 C ATOM 1229 CG LEU A 77 13.494 21.888 -1.992 1.00 0.00 C ATOM 1230 CD1 LEU A 77 13.874 23.289 -1.512 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.421 21.543 -3.165 1.00 0.00 C ATOM 0 H LEU A 77 13.715 18.596 0.501 1.00 0.00 H new ATOM 0 HA LEU A 77 11.630 20.152 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.499 21.429 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.640 20.485 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 77 12.459 21.839 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.780 23.995 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.210 23.588 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.904 23.284 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.288 22.275 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.457 21.559 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.177 20.550 -3.541 1.00 0.00 H new ATOM 1243 N TYR A 78 12.036 18.997 -3.120 1.00 0.00 N ATOM 1244 CA TYR A 78 11.963 18.178 -4.336 1.00 0.00 C ATOM 1245 C TYR A 78 11.841 19.090 -5.571 1.00 0.00 C ATOM 1246 O TYR A 78 11.210 20.150 -5.489 1.00 0.00 O ATOM 1247 CB TYR A 78 10.744 17.255 -4.175 1.00 0.00 C ATOM 1248 CG TYR A 78 10.535 16.157 -5.203 1.00 0.00 C ATOM 1249 CD1 TYR A 78 9.968 16.447 -6.461 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.795 14.819 -4.851 1.00 0.00 C ATOM 1251 CE1 TYR A 78 9.667 15.403 -7.359 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.505 13.773 -5.745 1.00 0.00 C ATOM 1253 CZ TYR A 78 9.925 14.059 -6.999 1.00 0.00 C ATOM 1254 OH TYR A 78 9.604 13.035 -7.838 1.00 0.00 O ATOM 0 H TYR A 78 11.393 19.788 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 78 12.861 17.577 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.810 16.785 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.851 17.880 -4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.764 17.471 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.221 14.594 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.238 15.629 -8.324 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.726 12.752 -5.472 1.00 0.00 H new ATOM 0 HH TYR A 78 8.691 12.731 -7.650 1.00 0.00 H new ATOM 1264 N ILE A 79 12.444 18.721 -6.706 1.00 0.00 N ATOM 1265 CA ILE A 79 12.509 19.578 -7.905 1.00 0.00 C ATOM 1266 C ILE A 79 12.300 18.763 -9.189 1.00 0.00 C ATOM 1267 O ILE A 79 12.993 17.769 -9.402 1.00 0.00 O ATOM 1268 CB ILE A 79 13.855 20.352 -7.998 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.345 20.932 -6.649 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.696 21.475 -9.041 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.665 21.712 -6.722 1.00 0.00 C ATOM 0 H ILE A 79 12.903 17.818 -6.824 1.00 0.00 H new ATOM 0 HA ILE A 79 11.701 20.303 -7.807 1.00 0.00 H new ATOM 0 HB ILE A 79 14.623 19.639 -8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.573 21.590 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.463 20.113 -5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.630 22.031 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.447 21.040 -10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.898 22.149 -8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.926 22.079 -5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.456 21.056 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.552 22.556 -7.403 1.00 0.00 H new ATOM 1283 N ASP A 80 11.347 19.192 -10.029 1.00 0.00 N ATOM 1284 CA ASP A 80 11.060 18.760 -11.418 1.00 0.00 C ATOM 1285 C ASP A 80 10.716 17.267 -11.656 1.00 0.00 C ATOM 1286 O ASP A 80 10.139 16.925 -12.692 1.00 0.00 O ATOM 1287 CB ASP A 80 12.223 19.208 -12.321 1.00 0.00 C ATOM 1288 CG ASP A 80 11.884 19.135 -13.818 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.020 19.925 -14.270 1.00 0.00 O ATOM 1290 OD2 ASP A 80 12.516 18.330 -14.545 1.00 0.00 O ATOM 0 H ASP A 80 10.694 19.917 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 80 10.121 19.251 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.500 20.231 -12.066 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.093 18.583 -12.120 1.00 0.00 H new ATOM 1295 N GLY A 81 11.039 16.381 -10.709 1.00 0.00 N ATOM 1296 CA GLY A 81 10.952 14.925 -10.837 1.00 0.00 C ATOM 1297 C GLY A 81 11.916 14.127 -9.949 1.00 0.00 C ATOM 1298 O GLY A 81 11.945 12.903 -10.075 1.00 0.00 O ATOM 0 H GLY A 81 11.383 16.672 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.932 14.617 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.137 14.657 -11.877 1.00 0.00 H new ATOM 1302 N GLU A 82 12.686 14.773 -9.062 1.00 0.00 N ATOM 1303 CA GLU A 82 13.606 14.106 -8.132 1.00 0.00 C ATOM 1304 C GLU A 82 13.743 14.888 -6.811 1.00 0.00 C ATOM 1305 O GLU A 82 13.601 16.116 -6.781 1.00 0.00 O ATOM 1306 CB GLU A 82 14.967 13.914 -8.825 1.00 0.00 C ATOM 1307 CG GLU A 82 15.913 12.967 -8.077 1.00 0.00 C ATOM 1308 CD GLU A 82 17.148 12.649 -8.930 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.103 13.462 -8.956 1.00 0.00 O ATOM 1310 OE2 GLU A 82 17.173 11.576 -9.582 1.00 0.00 O ATOM 0 H GLU A 82 12.687 15.789 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 82 13.201 13.129 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.801 13.528 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.450 14.885 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.222 13.422 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.389 12.044 -7.828 1.00 0.00 H new ATOM 1317 N PHE A 83 14.022 14.182 -5.707 1.00 0.00 N ATOM 1318 CA PHE A 83 14.259 14.809 -4.405 1.00 0.00 C ATOM 1319 C PHE A 83 15.629 15.513 -4.352 1.00 0.00 C ATOM 1320 O PHE A 83 16.605 15.066 -4.962 1.00 0.00 O ATOM 1321 CB PHE A 83 14.081 13.794 -3.266 1.00 0.00 C ATOM 1322 CG PHE A 83 15.278 12.905 -2.997 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.497 11.739 -3.755 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.189 13.261 -1.986 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.624 10.936 -3.503 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.317 12.465 -1.740 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.535 11.300 -2.496 1.00 0.00 C ATOM 0 H PHE A 83 14.089 13.164 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 83 13.508 15.586 -4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.840 14.337 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.224 13.161 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.799 11.461 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.019 14.150 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.789 10.040 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 83 18.019 12.747 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.402 10.685 -2.303 1.00 0.00 H new ATOM 1337 N PHE A 84 15.702 16.608 -3.590 1.00 0.00 N ATOM 1338 CA PHE A 84 16.929 17.375 -3.358 1.00 0.00 C ATOM 1339 C PHE A 84 17.564 17.038 -1.997 1.00 0.00 C ATOM 1340 O PHE A 84 18.786 16.901 -1.903 1.00 0.00 O ATOM 1341 CB PHE A 84 16.580 18.864 -3.451 1.00 0.00 C ATOM 1342 CG PHE A 84 17.788 19.772 -3.550 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.334 20.063 -4.814 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.372 20.314 -2.390 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.462 20.893 -4.918 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.503 21.140 -2.500 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.049 21.430 -3.762 1.00 0.00 C ATOM 0 H PHE A 84 14.891 16.994 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 84 17.670 17.114 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.945 19.025 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.997 19.146 -2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.885 19.648 -5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.952 20.096 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.878 21.118 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.955 21.554 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.919 22.065 -3.842 1.00 0.00 H new ATOM 1357 N GLY A 85 16.733 16.869 -0.957 1.00 0.00 N ATOM 1358 CA GLY A 85 17.139 16.550 0.418 1.00 0.00 C ATOM 1359 C GLY A 85 16.383 17.370 1.461 1.00 0.00 C ATOM 1360 O GLY A 85 15.270 17.828 1.206 1.00 0.00 O ATOM 0 H GLY A 85 15.721 16.954 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.972 15.489 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.209 16.728 0.527 1.00 0.00 H new ATOM 1364 N GLY A 86 16.983 17.542 2.644 1.00 0.00 N ATOM 1365 CA GLY A 86 16.414 18.297 3.771 1.00 0.00 C ATOM 1366 C GLY A 86 16.639 19.808 3.677 1.00 0.00 C ATOM 1367 O GLY A 86 17.363 20.304 2.810 1.00 0.00 O ATOM 0 H GLY A 86 17.902 17.151 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.343 18.101 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.852 17.931 4.700 1.00 0.00 H new ATOM 1371 N CYS A 87 16.032 20.561 4.599 1.00 0.00 N ATOM 1372 CA CYS A 87 16.101 22.029 4.602 1.00 0.00 C ATOM 1373 C CYS A 87 17.502 22.557 4.954 1.00 0.00 C ATOM 1374 O CYS A 87 18.041 23.387 4.226 1.00 0.00 O ATOM 1375 CB CYS A 87 15.009 22.580 5.536 1.00 0.00 C ATOM 1376 SG CYS A 87 13.380 22.211 4.820 1.00 0.00 S ATOM 0 H CYS A 87 15.480 20.173 5.364 1.00 0.00 H new ATOM 0 HA CYS A 87 15.914 22.390 3.591 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.097 22.130 6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.130 23.656 5.663 1.00 0.00 H new ATOM 0 HG CYS A 87 12.918 23.270 4.223 1.00 0.00 H new ATOM 1382 N ASP A 88 18.143 22.034 6.000 1.00 0.00 N ATOM 1383 CA ASP A 88 19.523 22.406 6.359 1.00 0.00 C ATOM 1384 C ASP A 88 20.512 22.079 5.226 1.00 0.00 C ATOM 1385 O ASP A 88 21.362 22.899 4.883 1.00 0.00 O ATOM 1386 CB ASP A 88 19.914 21.691 7.658 1.00 0.00 C ATOM 1387 CG ASP A 88 21.372 21.975 8.059 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.699 23.142 8.378 1.00 0.00 O ATOM 1389 OD2 ASP A 88 22.187 21.019 8.063 1.00 0.00 O ATOM 0 H ASP A 88 17.727 21.343 6.624 1.00 0.00 H new ATOM 0 HA ASP A 88 19.568 23.484 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.249 22.010 8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.775 20.617 7.536 1.00 0.00 H new ATOM 1394 N ILE A 89 20.333 20.924 4.570 1.00 0.00 N ATOM 1395 CA ILE A 89 21.097 20.544 3.364 1.00 0.00 C ATOM 1396 C ILE A 89 20.877 21.578 2.247 1.00 0.00 C ATOM 1397 O ILE A 89 21.843 21.995 1.613 1.00 0.00 O ATOM 1398 CB ILE A 89 20.734 19.097 2.928 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.212 18.089 4.005 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.345 18.749 1.557 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.706 16.652 3.805 1.00 0.00 C ATOM 0 H ILE A 89 19.652 20.221 4.859 1.00 0.00 H new ATOM 0 HA ILE A 89 22.163 20.546 3.591 1.00 0.00 H new ATOM 0 HB ILE A 89 19.650 19.033 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.302 18.078 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.887 18.442 4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.070 17.730 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.967 19.440 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.431 18.830 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.089 16.017 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.616 16.644 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.053 16.275 2.843 1.00 0.00 H new ATOM 1413 N THR A 90 19.637 22.052 2.060 1.00 0.00 N ATOM 1414 CA THR A 90 19.294 23.119 1.100 1.00 0.00 C ATOM 1415 C THR A 90 19.958 24.444 1.459 1.00 0.00 C ATOM 1416 O THR A 90 20.518 25.084 0.573 1.00 0.00 O ATOM 1417 CB THR A 90 17.775 23.282 0.962 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.202 22.057 0.555 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.427 24.338 -0.089 1.00 0.00 C ATOM 0 H THR A 90 18.830 21.702 2.577 1.00 0.00 H new ATOM 0 HA THR A 90 19.687 22.812 0.131 1.00 0.00 H new ATOM 0 HB THR A 90 17.384 23.592 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.220 21.423 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.344 24.432 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.855 25.297 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.834 24.038 -1.055 1.00 0.00 H new ATOM 1427 N VAL A 91 19.944 24.848 2.732 1.00 0.00 N ATOM 1428 CA VAL A 91 20.642 26.065 3.198 1.00 0.00 C ATOM 1429 C VAL A 91 22.148 25.997 2.880 1.00 0.00 C ATOM 1430 O VAL A 91 22.707 26.967 2.371 1.00 0.00 O ATOM 1431 CB VAL A 91 20.408 26.339 4.706 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.221 27.545 5.217 1.00 0.00 C ATOM 1433 CG2 VAL A 91 18.927 26.633 5.005 1.00 0.00 C ATOM 0 H VAL A 91 19.452 24.347 3.472 1.00 0.00 H new ATOM 0 HA VAL A 91 20.212 26.904 2.650 1.00 0.00 H new ATOM 0 HB VAL A 91 20.732 25.431 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.022 27.695 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.284 27.355 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.932 28.439 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.801 26.820 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.610 27.511 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.320 25.776 4.713 1.00 0.00 H new ATOM 1443 N GLU A 92 22.797 24.850 3.116 1.00 0.00 N ATOM 1444 CA GLU A 92 24.211 24.639 2.775 1.00 0.00 C ATOM 1445 C GLU A 92 24.454 24.577 1.253 1.00 0.00 C ATOM 1446 O GLU A 92 25.452 25.115 0.767 1.00 0.00 O ATOM 1447 CB GLU A 92 24.725 23.352 3.441 1.00 0.00 C ATOM 1448 CG GLU A 92 24.827 23.442 4.970 1.00 0.00 C ATOM 1449 CD GLU A 92 25.921 24.425 5.415 1.00 0.00 C ATOM 1450 OE1 GLU A 92 27.122 24.062 5.353 1.00 0.00 O ATOM 1451 OE2 GLU A 92 25.589 25.557 5.842 1.00 0.00 O ATOM 0 H GLU A 92 22.356 24.039 3.550 1.00 0.00 H new ATOM 0 HA GLU A 92 24.763 25.500 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.061 22.528 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.707 23.111 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.867 23.757 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.039 22.454 5.378 1.00 0.00 H new ATOM 1458 N ALA A 93 23.546 23.973 0.481 1.00 0.00 N ATOM 1459 CA ALA A 93 23.626 23.896 -0.976 1.00 0.00 C ATOM 1460 C ALA A 93 23.507 25.272 -1.644 1.00 0.00 C ATOM 1461 O ALA A 93 24.234 25.555 -2.592 1.00 0.00 O ATOM 1462 CB ALA A 93 22.532 22.940 -1.463 1.00 0.00 C ATOM 0 H ALA A 93 22.718 23.515 0.862 1.00 0.00 H new ATOM 0 HA ALA A 93 24.608 23.518 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.571 22.866 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.689 21.954 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.556 23.319 -1.160 1.00 0.00 H new ATOM 1468 N TYR A 94 22.641 26.155 -1.142 1.00 0.00 N ATOM 1469 CA TYR A 94 22.535 27.550 -1.589 1.00 0.00 C ATOM 1470 C TYR A 94 23.814 28.355 -1.296 1.00 0.00 C ATOM 1471 O TYR A 94 24.305 29.077 -2.163 1.00 0.00 O ATOM 1472 CB TYR A 94 21.324 28.188 -0.902 1.00 0.00 C ATOM 1473 CG TYR A 94 21.144 29.666 -1.205 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.707 30.081 -2.480 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.418 30.626 -0.212 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.517 31.448 -2.751 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.233 31.995 -0.480 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.774 32.411 -1.749 1.00 0.00 C ATOM 1479 OH TYR A 94 20.586 33.736 -2.003 1.00 0.00 O ATOM 0 H TYR A 94 21.981 25.919 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 94 22.406 27.562 -2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.424 27.654 -1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.422 28.059 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.518 29.348 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.771 30.311 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.174 31.762 -3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.442 32.728 0.285 1.00 0.00 H new ATOM 0 HH TYR A 94 20.809 34.257 -1.204 1.00 0.00 H new ATOM 1489 N LYS A 95 24.403 28.166 -0.108 1.00 0.00 N ATOM 1490 CA LYS A 95 25.697 28.763 0.264 1.00 0.00 C ATOM 1491 C LYS A 95 26.869 28.192 -0.560 1.00 0.00 C ATOM 1492 O LYS A 95 27.851 28.888 -0.814 1.00 0.00 O ATOM 1493 CB LYS A 95 25.910 28.558 1.776 1.00 0.00 C ATOM 1494 CG LYS A 95 24.983 29.446 2.620 1.00 0.00 C ATOM 1495 CD LYS A 95 25.096 29.101 4.113 1.00 0.00 C ATOM 1496 CE LYS A 95 24.166 29.957 4.988 1.00 0.00 C ATOM 1497 NZ LYS A 95 24.623 31.372 5.100 1.00 0.00 N ATOM 0 H LYS A 95 23.994 27.591 0.629 1.00 0.00 H new ATOM 0 HA LYS A 95 25.674 29.829 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.735 27.512 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 95 26.948 28.777 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.238 30.494 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 95 23.952 29.317 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 95 24.858 28.047 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.127 29.242 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 95 23.160 29.936 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 95 24.106 29.519 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.961 31.904 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 25.572 31.398 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 24.655 31.802 4.154 1.00 0.00 H new ATOM 1511 N SER A 96 26.753 26.944 -1.022 1.00 0.00 N ATOM 1512 CA SER A 96 27.751 26.270 -1.871 1.00 0.00 C ATOM 1513 C SER A 96 27.552 26.527 -3.382 1.00 0.00 C ATOM 1514 O SER A 96 28.437 26.205 -4.179 1.00 0.00 O ATOM 1515 CB SER A 96 27.710 24.759 -1.592 1.00 0.00 C ATOM 1516 OG SER A 96 27.871 24.468 -0.210 1.00 0.00 O ATOM 0 H SER A 96 25.945 26.357 -0.814 1.00 0.00 H new ATOM 0 HA SER A 96 28.724 26.690 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 96 26.761 24.352 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.497 24.264 -2.161 1.00 0.00 H new ATOM 0 HG SER A 96 27.043 24.684 0.268 1.00 0.00 H new ATOM 1522 N GLY A 97 26.398 27.080 -3.792 1.00 0.00 N ATOM 1523 CA GLY A 97 26.032 27.367 -5.194 1.00 0.00 C ATOM 1524 C GLY A 97 25.356 26.196 -5.921 1.00 0.00 C ATOM 1525 O GLY A 97 24.977 26.325 -7.085 1.00 0.00 O ATOM 0 H GLY A 97 25.666 27.350 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.363 28.227 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.931 27.650 -5.742 1.00 0.00 H new ATOM 1529 N GLU A 98 25.162 25.066 -5.237 1.00 0.00 N ATOM 1530 CA GLU A 98 24.616 23.829 -5.803 1.00 0.00 C ATOM 1531 C GLU A 98 23.106 23.943 -6.051 1.00 0.00 C ATOM 1532 O GLU A 98 22.616 23.485 -7.084 1.00 0.00 O ATOM 1533 CB GLU A 98 24.922 22.645 -4.872 1.00 0.00 C ATOM 1534 CG GLU A 98 26.422 22.457 -4.623 1.00 0.00 C ATOM 1535 CD GLU A 98 26.694 21.160 -3.847 1.00 0.00 C ATOM 1536 OE1 GLU A 98 26.673 21.182 -2.594 1.00 0.00 O ATOM 1537 OE2 GLU A 98 26.947 20.112 -4.486 1.00 0.00 O ATOM 0 H GLU A 98 25.387 24.983 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 98 25.095 23.657 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.417 22.799 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.513 21.732 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 98 26.952 22.433 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.811 23.308 -4.063 1.00 0.00 H new ATOM 1544 N LEU A 99 22.363 24.619 -5.158 1.00 0.00 N ATOM 1545 CA LEU A 99 20.931 24.880 -5.370 1.00 0.00 C ATOM 1546 C LEU A 99 20.716 25.774 -6.597 1.00 0.00 C ATOM 1547 O LEU A 99 19.877 25.456 -7.433 1.00 0.00 O ATOM 1548 CB LEU A 99 20.317 25.493 -4.092 1.00 0.00 C ATOM 1549 CG LEU A 99 18.788 25.711 -4.164 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.013 24.385 -4.219 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.338 26.525 -2.948 1.00 0.00 C ATOM 0 H LEU A 99 22.731 24.994 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 99 20.420 23.939 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.540 24.842 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 99 20.800 26.450 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 99 18.570 26.251 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 99 16.944 24.590 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.316 23.823 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.229 23.800 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.260 26.682 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.588 25.984 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 99 18.845 27.490 -2.948 1.00 0.00 H new ATOM 1563 N GLN A 100 21.499 26.851 -6.735 1.00 0.00 N ATOM 1564 CA GLN A 100 21.453 27.743 -7.901 1.00 0.00 C ATOM 1565 C GLN A 100 21.696 26.958 -9.198 1.00 0.00 C ATOM 1566 O GLN A 100 20.894 27.062 -10.125 1.00 0.00 O ATOM 1567 CB GLN A 100 22.483 28.873 -7.701 1.00 0.00 C ATOM 1568 CG GLN A 100 22.588 29.846 -8.890 1.00 0.00 C ATOM 1569 CD GLN A 100 23.587 30.974 -8.615 1.00 0.00 C ATOM 1570 OE1 GLN A 100 24.701 30.990 -9.123 1.00 0.00 O ATOM 1571 NE2 GLN A 100 23.244 31.946 -7.792 1.00 0.00 N ATOM 0 H GLN A 100 22.187 27.130 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 100 20.462 28.189 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.219 29.437 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.462 28.430 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.894 29.299 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.607 30.272 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.320 31.947 -7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 100 23.903 32.697 -7.587 1.00 0.00 H new ATOM 1580 N GLU A 101 22.740 26.121 -9.232 1.00 0.00 N ATOM 1581 CA GLU A 101 23.063 25.282 -10.386 1.00 0.00 C ATOM 1582 C GLU A 101 21.921 24.305 -10.720 1.00 0.00 C ATOM 1583 O GLU A 101 21.509 24.221 -11.877 1.00 0.00 O ATOM 1584 CB GLU A 101 24.387 24.545 -10.128 1.00 0.00 C ATOM 1585 CG GLU A 101 24.871 23.766 -11.355 1.00 0.00 C ATOM 1586 CD GLU A 101 26.267 23.175 -11.116 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.368 22.047 -10.574 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.273 23.835 -11.471 1.00 0.00 O ATOM 0 H GLU A 101 23.388 26.008 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 101 23.183 25.921 -11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.150 25.266 -9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.260 23.858 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.167 22.965 -11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.895 24.425 -12.223 1.00 0.00 H new ATOM 1595 N GLN A 102 21.385 23.580 -9.730 1.00 0.00 N ATOM 1596 CA GLN A 102 20.307 22.614 -9.952 1.00 0.00 C ATOM 1597 C GLN A 102 18.963 23.275 -10.298 1.00 0.00 C ATOM 1598 O GLN A 102 18.258 22.756 -11.159 1.00 0.00 O ATOM 1599 CB GLN A 102 20.168 21.687 -8.736 1.00 0.00 C ATOM 1600 CG GLN A 102 21.357 20.719 -8.572 1.00 0.00 C ATOM 1601 CD GLN A 102 21.422 19.670 -9.686 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.117 19.823 -10.682 1.00 0.00 O ATOM 1603 NE2 GLN A 102 20.682 18.582 -9.581 1.00 0.00 N ATOM 0 H GLN A 102 21.686 23.647 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 102 20.585 22.024 -10.825 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.074 22.292 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.248 21.110 -8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.286 21.289 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.280 20.216 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.098 18.440 -8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.695 17.883 -10.324 1.00 0.00 H new ATOM 1612 N VAL A 103 18.606 24.408 -9.681 1.00 0.00 N ATOM 1613 CA VAL A 103 17.378 25.159 -10.013 1.00 0.00 C ATOM 1614 C VAL A 103 17.468 25.743 -11.432 1.00 0.00 C ATOM 1615 O VAL A 103 16.494 25.661 -12.181 1.00 0.00 O ATOM 1616 CB VAL A 103 17.076 26.265 -8.973 1.00 0.00 C ATOM 1617 CG1 VAL A 103 15.962 27.231 -9.409 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.643 25.634 -7.634 1.00 0.00 C ATOM 0 H VAL A 103 19.157 24.834 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 103 16.545 24.456 -9.981 1.00 0.00 H new ATOM 0 HB VAL A 103 18.002 26.831 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.804 27.979 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.252 27.726 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.039 26.674 -9.569 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.434 26.422 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.746 25.035 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.443 24.998 -7.256 1.00 0.00 H new ATOM 1628 N GLU A 104 18.631 26.266 -11.835 1.00 0.00 N ATOM 1629 CA GLU A 104 18.867 26.685 -13.217 1.00 0.00 C ATOM 1630 C GLU A 104 18.751 25.491 -14.177 1.00 0.00 C ATOM 1631 O GLU A 104 18.034 25.578 -15.172 1.00 0.00 O ATOM 1632 CB GLU A 104 20.235 27.373 -13.338 1.00 0.00 C ATOM 1633 CG GLU A 104 20.462 27.960 -14.737 1.00 0.00 C ATOM 1634 CD GLU A 104 21.777 28.749 -14.795 1.00 0.00 C ATOM 1635 OE1 GLU A 104 21.767 29.970 -14.500 1.00 0.00 O ATOM 1636 OE2 GLU A 104 22.830 28.160 -15.145 1.00 0.00 O ATOM 0 H GLU A 104 19.429 26.409 -11.216 1.00 0.00 H new ATOM 0 HA GLU A 104 18.100 27.407 -13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.308 28.168 -12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.023 26.654 -13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.483 27.157 -15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.630 28.613 -15.001 1.00 0.00 H new ATOM 1643 N LYS A 105 19.363 24.340 -13.863 1.00 0.00 N ATOM 1644 CA LYS A 105 19.245 23.135 -14.691 1.00 0.00 C ATOM 1645 C LYS A 105 17.794 22.614 -14.780 1.00 0.00 C ATOM 1646 O LYS A 105 17.365 22.174 -15.843 1.00 0.00 O ATOM 1647 CB LYS A 105 20.215 22.050 -14.187 1.00 0.00 C ATOM 1648 CG LYS A 105 20.504 21.041 -15.308 1.00 0.00 C ATOM 1649 CD LYS A 105 21.391 19.880 -14.836 1.00 0.00 C ATOM 1650 CE LYS A 105 21.930 19.051 -16.016 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.855 18.453 -16.858 1.00 0.00 N ATOM 0 H LYS A 105 19.948 24.220 -13.036 1.00 0.00 H new ATOM 0 HA LYS A 105 19.525 23.404 -15.709 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.145 22.509 -13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.785 21.537 -13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.562 20.644 -15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.992 21.553 -16.137 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.227 20.274 -14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.819 19.234 -14.170 1.00 0.00 H new ATOM 0 HE2 LYS A 105 22.559 19.686 -16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 105 22.565 18.254 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 21.267 17.739 -17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 20.144 18.004 -16.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 20.403 19.199 -17.425 1.00 0.00 H new ATOM 1665 N ALA A 106 17.002 22.714 -13.705 1.00 0.00 N ATOM 1666 CA ALA A 106 15.578 22.357 -13.715 1.00 0.00 C ATOM 1667 C ALA A 106 14.742 23.258 -14.646 1.00 0.00 C ATOM 1668 O ALA A 106 13.766 22.789 -15.233 1.00 0.00 O ATOM 1669 CB ALA A 106 15.059 22.402 -12.269 1.00 0.00 C ATOM 0 H ALA A 106 17.333 23.047 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 106 15.472 21.350 -14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.001 22.140 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.618 21.692 -11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.189 23.407 -11.867 1.00 0.00 H new ATOM 1675 N MET A 107 15.127 24.529 -14.807 1.00 0.00 N ATOM 1676 CA MET A 107 14.442 25.500 -15.676 1.00 0.00 C ATOM 1677 C MET A 107 14.930 25.449 -17.137 1.00 0.00 C ATOM 1678 O MET A 107 14.107 25.425 -18.055 1.00 0.00 O ATOM 1679 CB MET A 107 14.622 26.913 -15.091 1.00 0.00 C ATOM 1680 CG MET A 107 13.838 27.085 -13.782 1.00 0.00 C ATOM 1681 SD MET A 107 14.079 28.700 -12.999 1.00 0.00 S ATOM 1682 CE MET A 107 12.957 28.499 -11.590 1.00 0.00 C ATOM 0 H MET A 107 15.938 24.922 -14.329 1.00 0.00 H new ATOM 0 HA MET A 107 13.385 25.235 -15.702 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.680 27.101 -14.910 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.287 27.654 -15.817 1.00 0.00 H new ATOM 0 HG2 MET A 107 12.776 26.943 -13.983 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.138 26.304 -13.084 1.00 0.00 H new ATOM 0 HE1 MET A 107 12.970 29.404 -10.983 1.00 0.00 H new ATOM 0 HE2 MET A 107 11.945 28.320 -11.953 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.280 27.652 -10.985 1.00 0.00 H new ATOM 1692 N CYS A 108 16.248 25.425 -17.358 1.00 0.00 N ATOM 1693 CA CYS A 108 16.885 25.535 -18.680 1.00 0.00 C ATOM 1694 C CYS A 108 17.198 24.183 -19.364 1.00 0.00 C ATOM 1695 O CYS A 108 17.407 24.165 -20.582 1.00 0.00 O ATOM 1696 CB CYS A 108 18.173 26.361 -18.504 1.00 0.00 C ATOM 1697 SG CYS A 108 17.790 28.032 -17.890 1.00 0.00 S ATOM 0 H CYS A 108 16.924 25.326 -16.601 1.00 0.00 H new ATOM 0 HA CYS A 108 16.174 26.019 -19.350 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.841 25.857 -17.806 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.699 26.430 -19.456 1.00 0.00 H new ATOM 0 HG CYS A 108 18.893 28.706 -17.749 1.00 0.00 H new ATOM 1703 N SER A 109 17.240 23.088 -18.587 1.00 0.00 N ATOM 1704 CA SER A 109 17.593 21.686 -18.915 1.00 0.00 C ATOM 1705 C SER A 109 19.080 21.367 -18.694 1.00 0.00 C ATOM 1706 O SER A 109 19.934 22.283 -18.681 1.00 0.00 O ATOM 1707 CB SER A 109 17.168 21.253 -20.321 1.00 0.00 C ATOM 1708 OG SER A 109 17.346 19.852 -20.370 1.00 0.00 O ATOM 1709 OXT SER A 109 19.379 20.155 -18.569 1.00 0.00 O ATOM 0 H SER A 109 17.001 23.168 -17.599 1.00 0.00 H new ATOM 0 HA SER A 109 17.011 21.100 -18.203 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.129 21.521 -20.514 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.772 21.749 -21.081 1.00 0.00 H new ATOM 0 HG SER A 109 18.080 19.595 -19.774 1.00 0.00 H new TER 1715 SER A 109