USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=27 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 19 LYS NZ :NH3+ -161:sc= 1.97 (180deg=1.57) USER MOD Set 1.2: A 109 SER OG : rot -66:sc= 1.33 USER MOD Set 2.1: A 69 SER OG : rot -163:sc= 1.28 USER MOD Set 2.2: A 76 GLN : amide:sc= 1.69 K(o=3,f=-1.3) USER MOD Set 3.1: A 33 CYS SG : rot -57:sc= 0.12 USER MOD Set 3.2: A 37 GLN : amide:sc= 0.117 K(o=0.24,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.646 (180deg=0.313) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 158:sc= 1.03 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 17 SER OG : rot 77:sc= 1.26 USER MOD Single : A 18 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.027) USER MOD Single : A 24 MET CE :methyl 180:sc=-0.00384 (180deg=-0.00384) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0.931 (180deg=0.904) USER MOD Single : A 32 GLN : amide:sc= 0.587 K(o=0.59,f=-1.4) USER MOD Single : A 36 SER OG : rot 104:sc= 1.39 USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.06 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 89:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 52 SER OG : rot -121:sc= 0.549 USER MOD Single : A 54 ASN : amide:sc= 0.0297 K(o=0.03,f=-4.9!) USER MOD Single : A 58 ASN : amide:sc= 0.35 K(o=0.35,f=-6.1!) USER MOD Single : A 63 GLN : amide:sc= 0.463 X(o=0.46,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 -38:sc= 0.373 USER MOD Single : A 73 THR OG1 : rot -22:sc= 1.16 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.0782 USER MOD Single : A 90 THR OG1 : rot 83:sc= 1.21 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 88:sc= 1.31 USER MOD Single : A 100 GLN : amide:sc= 0.596 K(o=0.6,f=-0.19) USER MOD Single : A 102 GLN : amide:sc= 0.792 K(o=0.79,f=-0.19) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.22) USER MOD Single : A 107 MET CE :methyl -179:sc= 0 (180deg=-0.000507) USER MOD Single : A 108 CYS SG : rot 180:sc= -0.553 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.603 1.370 -3.171 1.00 0.00 N ATOM 2 CA MET A 1 -5.227 2.662 -2.514 1.00 0.00 C ATOM 3 C MET A 1 -4.955 3.752 -3.564 1.00 0.00 C ATOM 4 O MET A 1 -4.607 3.447 -4.703 1.00 0.00 O ATOM 5 CB MET A 1 -4.014 2.521 -1.557 1.00 0.00 C ATOM 6 CG MET A 1 -4.303 1.756 -0.254 1.00 0.00 C ATOM 7 SD MET A 1 -4.499 -0.046 -0.401 1.00 0.00 S ATOM 8 CE MET A 1 -4.758 -0.464 1.345 1.00 0.00 C ATOM 0 H1 MET A 1 -5.359 0.577 -2.544 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.626 1.361 -3.358 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.086 1.273 -4.068 1.00 0.00 H new ATOM 0 HA MET A 1 -6.081 2.958 -1.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.208 2.014 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.652 3.517 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.492 1.955 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.213 2.164 0.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.898 -1.540 1.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.889 -0.156 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.644 0.052 1.715 1.00 0.00 H new ATOM 20 N ALA A 2 -5.084 5.034 -3.190 1.00 0.00 N ATOM 21 CA ALA A 2 -4.977 6.184 -4.109 1.00 0.00 C ATOM 22 C ALA A 2 -3.535 6.594 -4.473 1.00 0.00 C ATOM 23 O ALA A 2 -3.348 7.341 -5.433 1.00 0.00 O ATOM 24 CB ALA A 2 -5.742 7.354 -3.470 1.00 0.00 C ATOM 0 H ALA A 2 -5.269 5.308 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.411 5.889 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.685 8.225 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.786 7.073 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.298 7.595 -2.504 1.00 0.00 H new ATOM 30 N LEU A 3 -2.519 6.111 -3.740 1.00 0.00 N ATOM 31 CA LEU A 3 -1.116 6.545 -3.852 1.00 0.00 C ATOM 32 C LEU A 3 -0.580 6.496 -5.290 1.00 0.00 C ATOM 33 O LEU A 3 -0.187 7.522 -5.841 1.00 0.00 O ATOM 34 CB LEU A 3 -0.268 5.723 -2.853 1.00 0.00 C ATOM 35 CG LEU A 3 1.248 6.030 -2.859 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.556 7.505 -2.559 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.946 5.149 -1.814 1.00 0.00 C ATOM 0 H LEU A 3 -2.654 5.388 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.048 7.600 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.652 5.896 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.408 4.664 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 3 1.618 5.816 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.634 7.662 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.085 8.136 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.167 7.765 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.015 5.362 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.534 5.360 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.785 4.099 -2.057 1.00 0.00 H new ATOM 49 N THR A 4 -0.582 5.308 -5.893 1.00 0.00 N ATOM 50 CA THR A 4 -0.052 5.057 -7.245 1.00 0.00 C ATOM 51 C THR A 4 -0.949 5.556 -8.392 1.00 0.00 C ATOM 52 O THR A 4 -0.371 6.149 -9.308 1.00 0.00 O ATOM 53 CB THR A 4 0.353 3.585 -7.420 1.00 0.00 C ATOM 54 OG1 THR A 4 -0.618 2.736 -6.852 1.00 0.00 O ATOM 55 CG2 THR A 4 1.678 3.308 -6.710 1.00 0.00 C ATOM 0 H THR A 4 -0.959 4.470 -5.450 1.00 0.00 H new ATOM 0 HA THR A 4 0.846 5.670 -7.322 1.00 0.00 H new ATOM 0 HB THR A 4 0.446 3.395 -8.489 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.347 1.802 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.951 2.261 -6.844 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.457 3.943 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.573 3.523 -5.647 1.00 0.00 H new ATOM 63 N PRO A 5 -2.295 5.386 -8.403 1.00 0.00 N ATOM 64 CA PRO A 5 -3.120 5.815 -9.535 1.00 0.00 C ATOM 65 C PRO A 5 -3.449 7.316 -9.539 1.00 0.00 C ATOM 66 O PRO A 5 -3.630 7.874 -10.622 1.00 0.00 O ATOM 67 CB PRO A 5 -4.404 4.980 -9.447 1.00 0.00 C ATOM 68 CG PRO A 5 -4.552 4.745 -7.946 1.00 0.00 C ATOM 69 CD PRO A 5 -3.101 4.563 -7.509 1.00 0.00 C ATOM 0 HA PRO A 5 -2.572 5.658 -10.464 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.261 5.512 -9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.316 4.043 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.026 5.589 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.157 3.865 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.966 4.870 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.805 3.516 -7.573 1.00 0.00 H new ATOM 77 N ALA A 6 -3.543 7.979 -8.374 1.00 0.00 N ATOM 78 CA ALA A 6 -4.051 9.353 -8.267 1.00 0.00 C ATOM 79 C ALA A 6 -3.074 10.331 -7.595 1.00 0.00 C ATOM 80 O ALA A 6 -2.871 11.433 -8.109 1.00 0.00 O ATOM 81 CB ALA A 6 -5.387 9.298 -7.512 1.00 0.00 C ATOM 0 H ALA A 6 -3.268 7.574 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.182 9.747 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.792 10.305 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.091 8.675 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.227 8.874 -6.520 1.00 0.00 H new ATOM 87 N LEU A 7 -2.460 9.965 -6.463 1.00 0.00 N ATOM 88 CA LEU A 7 -1.652 10.906 -5.677 1.00 0.00 C ATOM 89 C LEU A 7 -0.316 11.213 -6.360 1.00 0.00 C ATOM 90 O LEU A 7 -0.007 12.376 -6.591 1.00 0.00 O ATOM 91 CB LEU A 7 -1.476 10.355 -4.253 1.00 0.00 C ATOM 92 CG LEU A 7 -1.023 11.397 -3.211 1.00 0.00 C ATOM 93 CD1 LEU A 7 -2.079 12.493 -2.983 1.00 0.00 C ATOM 94 CD2 LEU A 7 -0.767 10.660 -1.893 1.00 0.00 C ATOM 0 H LEU A 7 -2.507 9.025 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.174 11.861 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.421 9.922 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.746 9.546 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.123 11.890 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.713 13.202 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.270 13.015 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.003 12.039 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.444 11.373 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.685 10.172 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.010 9.910 -2.040 1.00 0.00 H new ATOM 106 N LYS A 8 0.436 10.194 -6.785 1.00 0.00 N ATOM 107 CA LYS A 8 1.686 10.383 -7.541 1.00 0.00 C ATOM 108 C LYS A 8 1.444 11.080 -8.893 1.00 0.00 C ATOM 109 O LYS A 8 2.237 11.929 -9.295 1.00 0.00 O ATOM 110 CB LYS A 8 2.401 9.031 -7.705 1.00 0.00 C ATOM 111 CG LYS A 8 3.042 8.575 -6.381 1.00 0.00 C ATOM 112 CD LYS A 8 3.788 7.235 -6.505 1.00 0.00 C ATOM 113 CE LYS A 8 4.962 7.300 -7.499 1.00 0.00 C ATOM 114 NZ LYS A 8 5.731 6.025 -7.538 1.00 0.00 N ATOM 0 H LYS A 8 0.200 9.216 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 8 2.336 11.050 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.689 8.279 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.169 9.114 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.737 9.341 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.266 8.484 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.163 6.940 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.089 6.462 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.581 7.524 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.628 8.117 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.512 6.111 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.116 5.823 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.102 5.249 -7.829 1.00 0.00 H new ATOM 128 N THR A 9 0.299 10.813 -9.536 1.00 0.00 N ATOM 129 CA THR A 9 -0.213 11.502 -10.729 1.00 0.00 C ATOM 130 C THR A 9 -0.467 12.988 -10.466 1.00 0.00 C ATOM 131 O THR A 9 -0.086 13.822 -11.282 1.00 0.00 O ATOM 132 CB THR A 9 -1.482 10.787 -11.200 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.315 9.393 -11.077 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.786 11.091 -12.657 1.00 0.00 C ATOM 0 H THR A 9 -0.328 10.072 -9.222 1.00 0.00 H new ATOM 0 HA THR A 9 0.540 11.461 -11.516 1.00 0.00 H new ATOM 0 HB THR A 9 -2.305 11.141 -10.579 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.193 8.961 -11.032 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.693 10.567 -12.956 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.929 12.164 -12.783 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.954 10.761 -13.279 1.00 0.00 H new ATOM 142 N THR A 10 -1.052 13.332 -9.310 1.00 0.00 N ATOM 143 CA THR A 10 -1.287 14.718 -8.867 1.00 0.00 C ATOM 144 C THR A 10 0.033 15.430 -8.579 1.00 0.00 C ATOM 145 O THR A 10 0.240 16.547 -9.054 1.00 0.00 O ATOM 146 CB THR A 10 -2.216 14.746 -7.640 1.00 0.00 C ATOM 147 OG1 THR A 10 -3.434 14.112 -7.967 1.00 0.00 O ATOM 148 CG2 THR A 10 -2.549 16.174 -7.203 1.00 0.00 C ATOM 0 H THR A 10 -1.384 12.639 -8.639 1.00 0.00 H new ATOM 0 HA THR A 10 -1.783 15.256 -9.675 1.00 0.00 H new ATOM 0 HB THR A 10 -1.695 14.237 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.303 13.141 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.207 16.145 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.630 16.699 -6.944 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.048 16.697 -8.019 1.00 0.00 H new ATOM 156 N LEU A 11 0.948 14.778 -7.855 1.00 0.00 N ATOM 157 CA LEU A 11 2.294 15.295 -7.588 1.00 0.00 C ATOM 158 C LEU A 11 3.052 15.575 -8.891 1.00 0.00 C ATOM 159 O LEU A 11 3.592 16.667 -9.043 1.00 0.00 O ATOM 160 CB LEU A 11 3.060 14.311 -6.683 1.00 0.00 C ATOM 161 CG LEU A 11 2.520 14.183 -5.242 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.240 13.027 -4.537 1.00 0.00 C ATOM 163 CD2 LEU A 11 2.721 15.476 -4.440 1.00 0.00 C ATOM 0 H LEU A 11 0.773 13.866 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 11 2.207 16.247 -7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.043 13.326 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.103 14.623 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 11 1.449 13.990 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.863 12.931 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.058 12.100 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.311 13.228 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.328 15.344 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.784 15.710 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.194 16.294 -4.931 1.00 0.00 H new ATOM 175 N ASP A 12 3.026 14.667 -9.868 1.00 0.00 N ATOM 176 CA ASP A 12 3.602 14.883 -11.201 1.00 0.00 C ATOM 177 C ASP A 12 2.955 16.074 -11.934 1.00 0.00 C ATOM 178 O ASP A 12 3.670 16.924 -12.463 1.00 0.00 O ATOM 179 CB ASP A 12 3.476 13.601 -12.032 1.00 0.00 C ATOM 180 CG ASP A 12 4.121 13.767 -13.418 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.372 13.741 -13.501 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.378 13.904 -14.419 1.00 0.00 O ATOM 0 H ASP A 12 2.599 13.747 -9.756 1.00 0.00 H new ATOM 0 HA ASP A 12 4.656 15.131 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.952 12.775 -11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.424 13.342 -12.147 1.00 0.00 H new ATOM 187 N LYS A 13 1.623 16.210 -11.895 1.00 0.00 N ATOM 188 CA LYS A 13 0.924 17.392 -12.425 1.00 0.00 C ATOM 189 C LYS A 13 1.359 18.685 -11.710 1.00 0.00 C ATOM 190 O LYS A 13 1.654 19.675 -12.382 1.00 0.00 O ATOM 191 CB LYS A 13 -0.606 17.181 -12.374 1.00 0.00 C ATOM 192 CG LYS A 13 -1.198 16.738 -13.727 1.00 0.00 C ATOM 193 CD LYS A 13 -0.777 15.324 -14.167 1.00 0.00 C ATOM 194 CE LYS A 13 -1.243 14.983 -15.592 1.00 0.00 C ATOM 195 NZ LYS A 13 -2.725 14.873 -15.717 1.00 0.00 N ATOM 0 H LYS A 13 1.000 15.507 -11.497 1.00 0.00 H new ATOM 0 HA LYS A 13 1.208 17.514 -13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.839 16.431 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.085 18.108 -12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.286 16.779 -13.666 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.895 17.450 -14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.308 15.239 -14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.188 14.594 -13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.883 15.750 -16.278 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.788 14.041 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.974 14.642 -16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.072 14.122 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.164 15.778 -15.452 1.00 0.00 H new ATOM 209 N VAL A 14 1.499 18.679 -10.381 1.00 0.00 N ATOM 210 CA VAL A 14 2.044 19.818 -9.608 1.00 0.00 C ATOM 211 C VAL A 14 3.498 20.118 -10.012 1.00 0.00 C ATOM 212 O VAL A 14 3.806 21.260 -10.337 1.00 0.00 O ATOM 213 CB VAL A 14 1.890 19.621 -8.087 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.676 20.647 -7.254 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.411 19.695 -7.672 1.00 0.00 C ATOM 0 H VAL A 14 1.238 17.882 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 14 1.448 20.695 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 14 2.301 18.633 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.522 20.449 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.738 20.568 -7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.326 21.652 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.328 19.553 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.006 20.670 -7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.150 18.914 -8.185 1.00 0.00 H new ATOM 225 N VAL A 15 4.368 19.103 -10.067 1.00 0.00 N ATOM 226 CA VAL A 15 5.799 19.228 -10.427 1.00 0.00 C ATOM 227 C VAL A 15 6.012 19.781 -11.848 1.00 0.00 C ATOM 228 O VAL A 15 6.925 20.577 -12.064 1.00 0.00 O ATOM 229 CB VAL A 15 6.508 17.868 -10.253 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.847 17.722 -10.997 1.00 0.00 C ATOM 231 CG2 VAL A 15 6.748 17.574 -8.760 1.00 0.00 C ATOM 0 H VAL A 15 4.096 18.142 -9.858 1.00 0.00 H new ATOM 0 HA VAL A 15 6.241 19.956 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 15 5.824 17.149 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.262 16.732 -10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.684 17.850 -12.067 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.545 18.481 -10.643 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.249 16.612 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.373 18.357 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.792 17.545 -8.237 1.00 0.00 H new ATOM 241 N THR A 16 5.170 19.379 -12.811 1.00 0.00 N ATOM 242 CA THR A 16 5.236 19.842 -14.210 1.00 0.00 C ATOM 243 C THR A 16 4.564 21.198 -14.418 1.00 0.00 C ATOM 244 O THR A 16 4.999 21.959 -15.278 1.00 0.00 O ATOM 245 CB THR A 16 4.668 18.796 -15.179 1.00 0.00 C ATOM 246 OG1 THR A 16 3.391 18.375 -14.766 1.00 0.00 O ATOM 247 CG2 THR A 16 5.570 17.565 -15.263 1.00 0.00 C ATOM 0 H THR A 16 4.414 18.715 -12.641 1.00 0.00 H new ATOM 0 HA THR A 16 6.294 19.975 -14.434 1.00 0.00 H new ATOM 0 HB THR A 16 4.609 19.272 -16.158 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.480 17.736 -14.028 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.138 16.844 -15.958 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.558 17.861 -15.615 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.658 17.110 -14.276 1.00 0.00 H new ATOM 255 N SER A 17 3.553 21.539 -13.616 1.00 0.00 N ATOM 256 CA SER A 17 2.915 22.869 -13.646 1.00 0.00 C ATOM 257 C SER A 17 3.745 23.948 -12.923 1.00 0.00 C ATOM 258 O SER A 17 3.714 25.117 -13.313 1.00 0.00 O ATOM 259 CB SER A 17 1.515 22.810 -13.011 1.00 0.00 C ATOM 260 OG SER A 17 0.679 21.860 -13.657 1.00 0.00 O ATOM 0 H SER A 17 3.149 20.906 -12.926 1.00 0.00 H new ATOM 0 HA SER A 17 2.844 23.148 -14.697 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.606 22.555 -11.955 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.052 23.795 -13.062 1.00 0.00 H new ATOM 0 HG SER A 17 0.927 20.957 -13.369 1.00 0.00 H new ATOM 266 N HIS A 18 4.497 23.569 -11.882 1.00 0.00 N ATOM 267 CA HIS A 18 5.283 24.467 -11.030 1.00 0.00 C ATOM 268 C HIS A 18 6.660 23.832 -10.733 1.00 0.00 C ATOM 269 O HIS A 18 6.755 22.820 -10.041 1.00 0.00 O ATOM 270 CB HIS A 18 4.508 24.725 -9.720 1.00 0.00 C ATOM 271 CG HIS A 18 3.077 25.167 -9.905 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.640 26.428 -10.244 1.00 0.00 N ATOM 273 CD2 HIS A 18 1.963 24.378 -9.781 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.298 26.396 -10.329 1.00 0.00 C ATOM 275 NE2 HIS A 18 0.834 25.160 -10.054 1.00 0.00 N ATOM 0 H HIS A 18 4.577 22.592 -11.600 1.00 0.00 H new ATOM 0 HA HIS A 18 5.446 25.417 -11.540 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.517 23.812 -9.124 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.037 25.486 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.957 23.331 -9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.678 27.243 -10.582 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.140 24.857 -10.046 1.00 0.00 H new ATOM 283 N LYS A 19 7.751 24.442 -11.214 1.00 0.00 N ATOM 284 CA LYS A 19 9.095 23.831 -11.194 1.00 0.00 C ATOM 285 C LYS A 19 9.717 23.616 -9.801 1.00 0.00 C ATOM 286 O LYS A 19 10.626 22.797 -9.682 1.00 0.00 O ATOM 287 CB LYS A 19 10.019 24.686 -12.077 1.00 0.00 C ATOM 288 CG LYS A 19 9.771 24.424 -13.570 1.00 0.00 C ATOM 289 CD LYS A 19 10.604 25.388 -14.427 1.00 0.00 C ATOM 290 CE LYS A 19 10.804 24.882 -15.861 1.00 0.00 C ATOM 291 NZ LYS A 19 11.744 23.734 -15.901 1.00 0.00 N ATOM 0 H LYS A 19 7.731 25.374 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 19 8.980 22.818 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.857 25.742 -11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.059 24.467 -11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.031 23.394 -13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.712 24.548 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.113 26.361 -14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.577 25.536 -13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.844 24.583 -16.281 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.187 25.690 -16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.110 23.618 -16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.536 23.911 -15.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.246 22.867 -15.613 1.00 0.00 H new ATOM 305 N VAL A 20 9.261 24.327 -8.766 1.00 0.00 N ATOM 306 CA VAL A 20 9.786 24.241 -7.387 1.00 0.00 C ATOM 307 C VAL A 20 8.661 23.795 -6.449 1.00 0.00 C ATOM 308 O VAL A 20 7.622 24.453 -6.384 1.00 0.00 O ATOM 309 CB VAL A 20 10.361 25.602 -6.927 1.00 0.00 C ATOM 310 CG1 VAL A 20 10.965 25.505 -5.517 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.432 26.148 -7.888 1.00 0.00 C ATOM 0 H VAL A 20 8.498 24.997 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 20 10.596 23.512 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 20 9.518 26.293 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.360 26.477 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.193 25.198 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.770 24.770 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.801 27.104 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.259 25.440 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.996 26.287 -8.877 1.00 0.00 H new ATOM 321 N VAL A 21 8.871 22.699 -5.715 1.00 0.00 N ATOM 322 CA VAL A 21 7.871 22.097 -4.814 1.00 0.00 C ATOM 323 C VAL A 21 8.513 21.814 -3.450 1.00 0.00 C ATOM 324 O VAL A 21 9.659 21.370 -3.374 1.00 0.00 O ATOM 325 CB VAL A 21 7.268 20.803 -5.418 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.153 20.211 -4.539 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.679 21.051 -6.819 1.00 0.00 C ATOM 0 H VAL A 21 9.756 22.192 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 21 7.052 22.804 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 21 8.097 20.098 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.764 19.306 -5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.555 19.968 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.349 20.939 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.266 20.121 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.890 21.800 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.464 21.408 -7.486 1.00 0.00 H new ATOM 337 N LEU A 22 7.771 22.085 -2.375 1.00 0.00 N ATOM 338 CA LEU A 22 8.193 21.896 -0.986 1.00 0.00 C ATOM 339 C LEU A 22 7.257 20.913 -0.284 1.00 0.00 C ATOM 340 O LEU A 22 6.040 21.049 -0.378 1.00 0.00 O ATOM 341 CB LEU A 22 8.187 23.269 -0.268 1.00 0.00 C ATOM 342 CG LEU A 22 9.564 23.803 0.158 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.179 22.932 1.265 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.505 23.934 -1.047 1.00 0.00 C ATOM 0 H LEU A 22 6.824 22.456 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 22 9.201 21.482 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.722 24.001 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.557 23.192 0.618 1.00 0.00 H new ATOM 0 HG LEU A 22 9.422 24.802 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.152 23.334 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.522 22.931 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.299 21.912 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.471 24.314 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.640 22.957 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.074 24.624 -1.772 1.00 0.00 H new ATOM 356 N PHE A 23 7.821 19.976 0.477 1.00 0.00 N ATOM 357 CA PHE A 23 7.079 19.047 1.327 1.00 0.00 C ATOM 358 C PHE A 23 7.420 19.338 2.789 1.00 0.00 C ATOM 359 O PHE A 23 8.572 19.231 3.203 1.00 0.00 O ATOM 360 CB PHE A 23 7.406 17.614 0.888 1.00 0.00 C ATOM 361 CG PHE A 23 7.054 17.345 -0.566 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.708 17.392 -0.974 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.061 17.106 -1.520 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.368 17.199 -2.323 1.00 0.00 C ATOM 365 CE2 PHE A 23 7.718 16.879 -2.864 1.00 0.00 C ATOM 366 CZ PHE A 23 6.372 16.931 -3.267 1.00 0.00 C ATOM 0 H PHE A 23 8.831 19.839 0.520 1.00 0.00 H new ATOM 0 HA PHE A 23 6.001 19.171 1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.469 17.427 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.865 16.913 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.932 17.577 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.098 17.097 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.335 17.257 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.490 16.664 -3.588 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.111 16.765 -4.302 1.00 0.00 H new ATOM 376 N MET A 24 6.413 19.750 3.560 1.00 0.00 N ATOM 377 CA MET A 24 6.546 20.292 4.924 1.00 0.00 C ATOM 378 C MET A 24 5.204 20.247 5.660 1.00 0.00 C ATOM 379 O MET A 24 4.194 19.881 5.074 1.00 0.00 O ATOM 380 CB MET A 24 7.142 21.718 4.853 1.00 0.00 C ATOM 381 CG MET A 24 6.479 22.619 3.797 1.00 0.00 C ATOM 382 SD MET A 24 7.136 24.306 3.751 1.00 0.00 S ATOM 383 CE MET A 24 6.014 25.087 4.938 1.00 0.00 C ATOM 0 H MET A 24 5.443 19.716 3.245 1.00 0.00 H new ATOM 0 HA MET A 24 7.232 19.673 5.503 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.047 22.190 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.208 21.645 4.637 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.606 22.164 2.815 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.408 22.663 3.992 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.270 26.142 5.041 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.988 24.995 4.583 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.108 24.595 5.906 1.00 0.00 H new ATOM 393 N LYS A 25 5.151 20.624 6.936 1.00 0.00 N ATOM 394 CA LYS A 25 3.942 20.543 7.785 1.00 0.00 C ATOM 395 C LYS A 25 2.996 21.763 7.637 1.00 0.00 C ATOM 396 O LYS A 25 2.309 22.152 8.585 1.00 0.00 O ATOM 397 CB LYS A 25 4.385 20.304 9.245 1.00 0.00 C ATOM 398 CG LYS A 25 5.265 19.055 9.415 1.00 0.00 C ATOM 399 CD LYS A 25 5.588 18.826 10.897 1.00 0.00 C ATOM 400 CE LYS A 25 6.618 17.697 11.048 1.00 0.00 C ATOM 401 NZ LYS A 25 6.983 17.474 12.477 1.00 0.00 N ATOM 0 H LYS A 25 5.959 21.004 7.428 1.00 0.00 H new ATOM 0 HA LYS A 25 3.337 19.702 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.933 21.177 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.501 20.206 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.752 18.183 9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.189 19.174 8.849 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.977 19.744 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.678 18.572 11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.214 16.776 10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.514 17.942 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.680 16.705 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.392 18.345 12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.132 17.216 13.016 1.00 0.00 H new ATOM 415 N GLY A 26 3.019 22.424 6.474 1.00 0.00 N ATOM 416 CA GLY A 26 2.256 23.645 6.167 1.00 0.00 C ATOM 417 C GLY A 26 2.187 23.954 4.671 1.00 0.00 C ATOM 418 O GLY A 26 2.883 23.316 3.876 1.00 0.00 O ATOM 0 H GLY A 26 3.591 22.113 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.243 23.540 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.711 24.489 6.685 1.00 0.00 H new ATOM 422 N THR A 27 1.344 24.919 4.289 1.00 0.00 N ATOM 423 CA THR A 27 1.152 25.375 2.901 1.00 0.00 C ATOM 424 C THR A 27 1.969 26.634 2.613 1.00 0.00 C ATOM 425 O THR A 27 2.596 27.200 3.506 1.00 0.00 O ATOM 426 CB THR A 27 -0.339 25.595 2.600 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.824 26.605 3.450 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.165 24.328 2.822 1.00 0.00 C ATOM 0 H THR A 27 0.757 25.422 4.954 1.00 0.00 H new ATOM 0 HA THR A 27 1.516 24.591 2.236 1.00 0.00 H new ATOM 0 HB THR A 27 -0.433 25.877 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.775 26.757 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.212 24.532 2.597 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.800 23.537 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.072 24.011 3.861 1.00 0.00 H new ATOM 436 N LYS A 28 1.944 27.112 1.365 1.00 0.00 N ATOM 437 CA LYS A 28 2.540 28.409 0.999 1.00 0.00 C ATOM 438 C LYS A 28 1.806 29.608 1.641 1.00 0.00 C ATOM 439 O LYS A 28 2.407 30.658 1.870 1.00 0.00 O ATOM 440 CB LYS A 28 2.603 28.526 -0.537 1.00 0.00 C ATOM 441 CG LYS A 28 1.216 28.551 -1.204 1.00 0.00 C ATOM 442 CD LYS A 28 1.301 28.739 -2.721 1.00 0.00 C ATOM 443 CE LYS A 28 -0.081 28.617 -3.384 1.00 0.00 C ATOM 444 NZ LYS A 28 -1.043 29.666 -2.938 1.00 0.00 N ATOM 0 H LYS A 28 1.515 26.618 0.583 1.00 0.00 H new ATOM 0 HA LYS A 28 3.553 28.443 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.143 29.435 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.175 27.688 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.694 27.620 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.623 29.358 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.727 29.717 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.975 27.994 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.036 28.677 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.497 27.634 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.926 29.581 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.247 29.542 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.628 30.607 -3.095 1.00 0.00 H new ATOM 458 N ASP A 29 0.514 29.443 1.951 1.00 0.00 N ATOM 459 CA ASP A 29 -0.340 30.443 2.608 1.00 0.00 C ATOM 460 C ASP A 29 -0.239 30.383 4.145 1.00 0.00 C ATOM 461 O ASP A 29 -0.400 31.412 4.807 1.00 0.00 O ATOM 462 CB ASP A 29 -1.791 30.242 2.149 1.00 0.00 C ATOM 463 CG ASP A 29 -1.988 30.625 0.671 1.00 0.00 C ATOM 464 OD1 ASP A 29 -2.188 31.831 0.389 1.00 0.00 O ATOM 465 OD2 ASP A 29 -1.950 29.726 -0.206 1.00 0.00 O ATOM 0 H ASP A 29 0.015 28.578 1.744 1.00 0.00 H new ATOM 0 HA ASP A 29 0.008 31.434 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.076 29.200 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.454 30.843 2.771 1.00 0.00 H new ATOM 470 N PHE A 30 0.090 29.207 4.702 1.00 0.00 N ATOM 471 CA PHE A 30 0.344 28.982 6.130 1.00 0.00 C ATOM 472 C PHE A 30 1.628 28.140 6.331 1.00 0.00 C ATOM 473 O PHE A 30 1.532 26.929 6.579 1.00 0.00 O ATOM 474 CB PHE A 30 -0.899 28.324 6.758 1.00 0.00 C ATOM 475 CG PHE A 30 -2.159 29.173 6.699 1.00 0.00 C ATOM 476 CD1 PHE A 30 -2.375 30.185 7.655 1.00 0.00 C ATOM 477 CD2 PHE A 30 -3.111 28.961 5.682 1.00 0.00 C ATOM 478 CE1 PHE A 30 -3.532 30.979 7.597 1.00 0.00 C ATOM 479 CE2 PHE A 30 -4.268 29.758 5.622 1.00 0.00 C ATOM 480 CZ PHE A 30 -4.481 30.767 6.580 1.00 0.00 C ATOM 0 H PHE A 30 0.190 28.356 4.148 1.00 0.00 H new ATOM 0 HA PHE A 30 0.519 29.932 6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.089 27.378 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.683 28.089 7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.648 30.351 8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.952 28.185 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.693 31.753 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.994 29.596 4.839 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.371 31.377 6.535 1.00 0.00 H new ATOM 490 N PRO A 31 2.829 28.757 6.221 1.00 0.00 N ATOM 491 CA PRO A 31 4.120 28.101 6.453 1.00 0.00 C ATOM 492 C PRO A 31 4.327 27.645 7.907 1.00 0.00 C ATOM 493 O PRO A 31 3.492 27.888 8.778 1.00 0.00 O ATOM 494 CB PRO A 31 5.197 29.120 6.042 1.00 0.00 C ATOM 495 CG PRO A 31 4.461 30.081 5.115 1.00 0.00 C ATOM 496 CD PRO A 31 3.061 30.107 5.722 1.00 0.00 C ATOM 0 HA PRO A 31 4.172 27.184 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.608 29.638 6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.031 28.636 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.919 31.070 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.451 29.725 4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.995 30.840 6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.315 30.384 4.977 1.00 0.00 H new ATOM 504 N GLN A 32 5.481 27.020 8.174 1.00 0.00 N ATOM 505 CA GLN A 32 5.928 26.635 9.519 1.00 0.00 C ATOM 506 C GLN A 32 7.370 27.112 9.741 1.00 0.00 C ATOM 507 O GLN A 32 8.215 26.981 8.848 1.00 0.00 O ATOM 508 CB GLN A 32 5.851 25.108 9.690 1.00 0.00 C ATOM 509 CG GLN A 32 4.440 24.506 9.557 1.00 0.00 C ATOM 510 CD GLN A 32 3.466 24.833 10.696 1.00 0.00 C ATOM 511 OE1 GLN A 32 3.718 25.627 11.595 1.00 0.00 O ATOM 512 NE2 GLN A 32 2.309 24.199 10.710 1.00 0.00 N ATOM 0 H GLN A 32 6.145 26.762 7.444 1.00 0.00 H new ATOM 0 HA GLN A 32 5.275 27.103 10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.499 24.642 8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.249 24.847 10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.004 24.853 8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.533 23.422 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.082 23.535 9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.641 24.373 11.461 1.00 0.00 H new ATOM 521 N CYS A 33 7.655 27.645 10.933 1.00 0.00 N ATOM 522 CA CYS A 33 8.954 28.219 11.301 1.00 0.00 C ATOM 523 C CYS A 33 10.084 27.175 11.408 1.00 0.00 C ATOM 524 O CYS A 33 9.844 25.972 11.563 1.00 0.00 O ATOM 525 CB CYS A 33 8.783 29.020 12.604 1.00 0.00 C ATOM 526 SG CYS A 33 7.712 30.458 12.302 1.00 0.00 S ATOM 0 H CYS A 33 6.971 27.691 11.689 1.00 0.00 H new ATOM 0 HA CYS A 33 9.273 28.882 10.496 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.348 28.387 13.377 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.755 29.349 12.970 1.00 0.00 H new ATOM 0 HG CYS A 33 8.224 31.189 11.357 1.00 0.00 H new ATOM 532 N GLY A 34 11.332 27.658 11.346 1.00 0.00 N ATOM 533 CA GLY A 34 12.549 26.839 11.424 1.00 0.00 C ATOM 534 C GLY A 34 12.984 26.351 10.047 1.00 0.00 C ATOM 535 O GLY A 34 13.164 27.157 9.133 1.00 0.00 O ATOM 0 H GLY A 34 11.528 28.653 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.352 27.421 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.372 25.983 12.075 1.00 0.00 H new ATOM 539 N PHE A 35 13.174 25.038 9.899 1.00 0.00 N ATOM 540 CA PHE A 35 13.725 24.395 8.699 1.00 0.00 C ATOM 541 C PHE A 35 12.937 24.731 7.425 1.00 0.00 C ATOM 542 O PHE A 35 13.507 25.173 6.430 1.00 0.00 O ATOM 543 CB PHE A 35 13.766 22.876 8.953 1.00 0.00 C ATOM 544 CG PHE A 35 14.575 22.456 10.170 1.00 0.00 C ATOM 545 CD1 PHE A 35 15.960 22.709 10.223 1.00 0.00 C ATOM 546 CD2 PHE A 35 13.945 21.812 11.253 1.00 0.00 C ATOM 547 CE1 PHE A 35 16.707 22.328 11.352 1.00 0.00 C ATOM 548 CE2 PHE A 35 14.695 21.430 12.382 1.00 0.00 C ATOM 549 CZ PHE A 35 16.075 21.688 12.432 1.00 0.00 C ATOM 0 H PHE A 35 12.942 24.370 10.634 1.00 0.00 H new ATOM 0 HA PHE A 35 14.730 24.779 8.522 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.745 22.513 9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.180 22.385 8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 35 16.450 23.197 9.394 1.00 0.00 H new ATOM 0 HD2 PHE A 35 12.885 21.611 11.217 1.00 0.00 H new ATOM 0 HE1 PHE A 35 17.768 22.527 11.389 1.00 0.00 H new ATOM 0 HE2 PHE A 35 14.208 20.938 13.211 1.00 0.00 H new ATOM 0 HZ PHE A 35 16.649 21.395 13.299 1.00 0.00 H new ATOM 559 N SER A 36 11.614 24.589 7.461 1.00 0.00 N ATOM 560 CA SER A 36 10.716 24.876 6.334 1.00 0.00 C ATOM 561 C SER A 36 10.809 26.347 5.907 1.00 0.00 C ATOM 562 O SER A 36 11.121 26.626 4.748 1.00 0.00 O ATOM 563 CB SER A 36 9.276 24.476 6.718 1.00 0.00 C ATOM 564 OG SER A 36 9.044 24.560 8.122 1.00 0.00 O ATOM 0 H SER A 36 11.120 24.264 8.292 1.00 0.00 H new ATOM 0 HA SER A 36 11.022 24.286 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.571 25.123 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.083 23.458 6.381 1.00 0.00 H new ATOM 0 HG SER A 36 8.524 25.367 8.320 1.00 0.00 H new ATOM 570 N GLN A 37 10.657 27.288 6.848 1.00 0.00 N ATOM 571 CA GLN A 37 10.804 28.725 6.585 1.00 0.00 C ATOM 572 C GLN A 37 12.194 29.050 6.017 1.00 0.00 C ATOM 573 O GLN A 37 12.280 29.838 5.081 1.00 0.00 O ATOM 574 CB GLN A 37 10.507 29.508 7.877 1.00 0.00 C ATOM 575 CG GLN A 37 10.528 31.036 7.678 1.00 0.00 C ATOM 576 CD GLN A 37 10.135 31.827 8.933 1.00 0.00 C ATOM 577 OE1 GLN A 37 9.987 31.299 10.029 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.947 33.128 8.827 1.00 0.00 N ATOM 0 H GLN A 37 10.427 27.072 7.818 1.00 0.00 H new ATOM 0 HA GLN A 37 10.086 29.029 5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.530 29.211 8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.241 29.237 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.528 31.339 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.848 31.297 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.065 33.588 7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.684 33.674 9.648 1.00 0.00 H new ATOM 587 N THR A 38 13.261 28.403 6.510 1.00 0.00 N ATOM 588 CA THR A 38 14.633 28.564 6.016 1.00 0.00 C ATOM 589 C THR A 38 14.748 28.103 4.567 1.00 0.00 C ATOM 590 O THR A 38 15.179 28.885 3.724 1.00 0.00 O ATOM 591 CB THR A 38 15.609 27.827 6.945 1.00 0.00 C ATOM 592 OG1 THR A 38 15.515 28.372 8.245 1.00 0.00 O ATOM 593 CG2 THR A 38 17.052 27.987 6.489 1.00 0.00 C ATOM 0 H THR A 38 13.190 27.739 7.281 1.00 0.00 H new ATOM 0 HA THR A 38 14.899 29.621 6.026 1.00 0.00 H new ATOM 0 HB THR A 38 15.341 26.771 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.704 28.038 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.711 27.451 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.163 27.580 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.317 29.044 6.484 1.00 0.00 H new ATOM 601 N VAL A 39 14.295 26.886 4.245 1.00 0.00 N ATOM 602 CA VAL A 39 14.304 26.372 2.858 1.00 0.00 C ATOM 603 C VAL A 39 13.459 27.262 1.933 1.00 0.00 C ATOM 604 O VAL A 39 13.917 27.620 0.847 1.00 0.00 O ATOM 605 CB VAL A 39 13.832 24.900 2.773 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.698 24.425 1.317 1.00 0.00 C ATOM 607 CG2 VAL A 39 14.815 23.964 3.489 1.00 0.00 C ATOM 0 H VAL A 39 13.914 26.230 4.927 1.00 0.00 H new ATOM 0 HA VAL A 39 15.340 26.401 2.520 1.00 0.00 H new ATOM 0 HB VAL A 39 12.856 24.864 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.365 23.387 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.970 25.047 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.664 24.503 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.459 22.936 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 39 15.797 24.043 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.888 24.247 4.539 1.00 0.00 H new ATOM 617 N VAL A 40 12.259 27.664 2.376 1.00 0.00 N ATOM 618 CA VAL A 40 11.363 28.552 1.614 1.00 0.00 C ATOM 619 C VAL A 40 12.022 29.916 1.356 1.00 0.00 C ATOM 620 O VAL A 40 12.027 30.377 0.219 1.00 0.00 O ATOM 621 CB VAL A 40 9.997 28.706 2.330 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.177 29.900 1.816 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.165 27.422 2.169 1.00 0.00 C ATOM 0 H VAL A 40 11.878 27.381 3.279 1.00 0.00 H new ATOM 0 HA VAL A 40 11.177 28.092 0.644 1.00 0.00 H new ATOM 0 HB VAL A 40 10.222 28.889 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.232 29.953 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.738 30.821 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.979 29.774 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.208 27.543 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.993 27.230 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.704 26.582 2.607 1.00 0.00 H new ATOM 633 N GLN A 41 12.610 30.543 2.381 1.00 0.00 N ATOM 634 CA GLN A 41 13.267 31.853 2.281 1.00 0.00 C ATOM 635 C GLN A 41 14.488 31.801 1.355 1.00 0.00 C ATOM 636 O GLN A 41 14.667 32.717 0.556 1.00 0.00 O ATOM 637 CB GLN A 41 13.649 32.330 3.696 1.00 0.00 C ATOM 638 CG GLN A 41 14.286 33.729 3.711 1.00 0.00 C ATOM 639 CD GLN A 41 14.567 34.213 5.137 1.00 0.00 C ATOM 640 OE1 GLN A 41 15.669 34.091 5.663 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.590 34.769 5.827 1.00 0.00 N ATOM 0 H GLN A 41 12.644 30.148 3.321 1.00 0.00 H new ATOM 0 HA GLN A 41 12.574 32.568 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.758 32.337 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.344 31.616 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.217 33.710 3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.623 34.435 3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.667 34.879 5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.757 35.089 6.781 1.00 0.00 H new ATOM 650 N ILE A 42 15.294 30.735 1.414 1.00 0.00 N ATOM 651 CA ILE A 42 16.471 30.550 0.547 1.00 0.00 C ATOM 652 C ILE A 42 16.074 30.532 -0.935 1.00 0.00 C ATOM 653 O ILE A 42 16.629 31.300 -1.721 1.00 0.00 O ATOM 654 CB ILE A 42 17.248 29.281 0.990 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.062 29.605 2.265 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.174 28.756 -0.122 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.678 28.374 2.946 1.00 0.00 C ATOM 0 H ILE A 42 15.149 29.967 2.070 1.00 0.00 H new ATOM 0 HA ILE A 42 17.144 31.400 0.658 1.00 0.00 H new ATOM 0 HB ILE A 42 16.526 28.492 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.860 30.301 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.413 30.114 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.698 27.868 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.580 28.503 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.900 29.526 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.232 28.687 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.885 27.685 3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.355 27.875 2.252 1.00 0.00 H new ATOM 669 N LEU A 43 15.093 29.709 -1.318 1.00 0.00 N ATOM 670 CA LEU A 43 14.619 29.597 -2.706 1.00 0.00 C ATOM 671 C LEU A 43 13.992 30.909 -3.187 1.00 0.00 C ATOM 672 O LEU A 43 14.336 31.418 -4.258 1.00 0.00 O ATOM 673 CB LEU A 43 13.603 28.444 -2.787 1.00 0.00 C ATOM 674 CG LEU A 43 14.221 27.049 -2.567 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.094 26.049 -2.309 1.00 0.00 C ATOM 676 CD2 LEU A 43 15.057 26.609 -3.778 1.00 0.00 C ATOM 0 H LEU A 43 14.600 29.095 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 43 15.466 29.389 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.824 28.607 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.120 28.467 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 43 14.890 27.089 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.517 25.057 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.536 26.350 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.424 26.026 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.478 25.621 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.422 26.570 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.864 27.323 -3.941 1.00 0.00 H new ATOM 688 N LYS A 44 13.121 31.493 -2.358 1.00 0.00 N ATOM 689 CA LYS A 44 12.510 32.795 -2.621 1.00 0.00 C ATOM 690 C LYS A 44 13.587 33.850 -2.927 1.00 0.00 C ATOM 691 O LYS A 44 13.547 34.467 -3.992 1.00 0.00 O ATOM 692 CB LYS A 44 11.601 33.154 -1.434 1.00 0.00 C ATOM 693 CG LYS A 44 10.715 34.373 -1.720 1.00 0.00 C ATOM 694 CD LYS A 44 9.691 34.550 -0.587 1.00 0.00 C ATOM 695 CE LYS A 44 8.674 35.672 -0.866 1.00 0.00 C ATOM 696 NZ LYS A 44 9.282 37.032 -0.825 1.00 0.00 N ATOM 0 H LYS A 44 12.820 31.071 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 44 11.885 32.761 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.970 32.299 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.216 33.354 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.330 35.268 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.199 34.244 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.157 33.612 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.219 34.768 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.223 35.511 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.870 35.617 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.551 37.745 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.689 37.202 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.031 37.099 -1.543 1.00 0.00 H new ATOM 710 N SER A 45 14.582 33.969 -2.037 1.00 0.00 N ATOM 711 CA SER A 45 15.697 34.934 -2.090 1.00 0.00 C ATOM 712 C SER A 45 16.702 34.692 -3.228 1.00 0.00 C ATOM 713 O SER A 45 17.258 35.660 -3.754 1.00 0.00 O ATOM 714 CB SER A 45 16.476 34.939 -0.764 1.00 0.00 C ATOM 715 OG SER A 45 15.636 35.183 0.354 1.00 0.00 O ATOM 0 H SER A 45 14.637 33.365 -1.217 1.00 0.00 H new ATOM 0 HA SER A 45 15.216 35.894 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.977 33.980 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.253 35.702 -0.805 1.00 0.00 H new ATOM 0 HG SER A 45 15.277 34.333 0.685 1.00 0.00 H new ATOM 721 N LEU A 46 16.920 33.433 -3.642 1.00 0.00 N ATOM 722 CA LEU A 46 17.691 33.092 -4.847 1.00 0.00 C ATOM 723 C LEU A 46 17.060 33.772 -6.077 1.00 0.00 C ATOM 724 O LEU A 46 17.792 34.293 -6.917 1.00 0.00 O ATOM 725 CB LEU A 46 17.762 31.549 -4.951 1.00 0.00 C ATOM 726 CG LEU A 46 18.550 30.913 -6.119 1.00 0.00 C ATOM 727 CD1 LEU A 46 17.768 30.889 -7.441 1.00 0.00 C ATOM 728 CD2 LEU A 46 19.931 31.550 -6.326 1.00 0.00 C ATOM 0 H LEU A 46 16.563 32.617 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 46 18.714 33.465 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.192 31.176 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.739 31.175 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 46 18.702 29.878 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.380 30.430 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.852 30.312 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.516 31.908 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.436 31.061 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.813 32.611 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 46 20.526 31.430 -5.421 1.00 0.00 H new ATOM 740 N ASN A 47 15.720 33.791 -6.108 1.00 0.00 N ATOM 741 CA ASN A 47 14.782 34.515 -6.989 1.00 0.00 C ATOM 742 C ASN A 47 13.840 33.513 -7.670 1.00 0.00 C ATOM 743 O ASN A 47 13.940 33.268 -8.877 1.00 0.00 O ATOM 744 CB ASN A 47 15.436 35.507 -7.977 1.00 0.00 C ATOM 745 CG ASN A 47 14.421 36.355 -8.749 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.250 36.465 -8.395 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.850 36.994 -9.824 1.00 0.00 N ATOM 0 H ASN A 47 15.200 33.230 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 47 14.197 35.175 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.106 36.167 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.048 34.951 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.208 37.579 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.823 36.902 -10.118 1.00 0.00 H new ATOM 754 N ALA A 48 12.955 32.890 -6.879 1.00 0.00 N ATOM 755 CA ALA A 48 12.111 31.789 -7.370 1.00 0.00 C ATOM 756 C ALA A 48 10.767 31.629 -6.624 1.00 0.00 C ATOM 757 O ALA A 48 10.686 31.975 -5.442 1.00 0.00 O ATOM 758 CB ALA A 48 12.930 30.486 -7.307 1.00 0.00 C ATOM 0 H ALA A 48 12.804 33.128 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 48 11.829 32.030 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.322 29.656 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.818 30.584 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.231 30.295 -6.277 1.00 0.00 H new ATOM 764 N PRO A 49 9.724 31.086 -7.290 1.00 0.00 N ATOM 765 CA PRO A 49 8.478 30.677 -6.648 1.00 0.00 C ATOM 766 C PRO A 49 8.671 29.337 -5.919 1.00 0.00 C ATOM 767 O PRO A 49 9.743 28.732 -5.985 1.00 0.00 O ATOM 768 CB PRO A 49 7.468 30.563 -7.799 1.00 0.00 C ATOM 769 CG PRO A 49 8.335 30.074 -8.958 1.00 0.00 C ATOM 770 CD PRO A 49 9.652 30.811 -8.723 1.00 0.00 C ATOM 0 HA PRO A 49 8.138 31.382 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.667 29.860 -7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.997 31.521 -8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.467 28.992 -8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.898 30.324 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.499 30.204 -9.045 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.686 31.737 -9.298 1.00 0.00 H new ATOM 778 N PHE A 50 7.615 28.853 -5.256 1.00 0.00 N ATOM 779 CA PHE A 50 7.596 27.583 -4.522 1.00 0.00 C ATOM 780 C PHE A 50 6.151 27.130 -4.229 1.00 0.00 C ATOM 781 O PHE A 50 5.291 27.946 -3.889 1.00 0.00 O ATOM 782 CB PHE A 50 8.425 27.704 -3.224 1.00 0.00 C ATOM 783 CG PHE A 50 7.867 28.692 -2.220 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.162 30.064 -2.338 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.012 28.247 -1.194 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.577 30.990 -1.460 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.431 29.173 -0.311 1.00 0.00 C ATOM 788 CZ PHE A 50 6.702 30.547 -0.451 1.00 0.00 C ATOM 0 H PHE A 50 6.724 29.348 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 50 8.053 26.816 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.489 26.723 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.442 28.000 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.840 30.405 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.802 27.193 -1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.799 32.042 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.776 28.830 0.476 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.239 31.260 0.215 1.00 0.00 H new ATOM 798 N GLU A 51 5.892 25.822 -4.330 1.00 0.00 N ATOM 799 CA GLU A 51 4.613 25.204 -3.965 1.00 0.00 C ATOM 800 C GLU A 51 4.799 24.331 -2.719 1.00 0.00 C ATOM 801 O GLU A 51 5.153 23.157 -2.812 1.00 0.00 O ATOM 802 CB GLU A 51 4.055 24.371 -5.133 1.00 0.00 C ATOM 803 CG GLU A 51 3.583 25.219 -6.319 1.00 0.00 C ATOM 804 CD GLU A 51 2.441 26.186 -5.957 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.436 25.750 -5.345 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.531 27.388 -6.303 1.00 0.00 O ATOM 0 H GLU A 51 6.578 25.151 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 51 3.893 25.991 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.824 23.679 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.221 23.768 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.426 25.791 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.251 24.559 -7.120 1.00 0.00 H new ATOM 813 N SER A 52 4.579 24.892 -1.531 1.00 0.00 N ATOM 814 CA SER A 52 4.598 24.106 -0.294 1.00 0.00 C ATOM 815 C SER A 52 3.316 23.264 -0.156 1.00 0.00 C ATOM 816 O SER A 52 2.226 23.801 0.048 1.00 0.00 O ATOM 817 CB SER A 52 4.814 24.991 0.938 1.00 0.00 C ATOM 818 OG SER A 52 6.077 25.627 0.868 1.00 0.00 O ATOM 0 H SER A 52 4.386 25.885 -1.397 1.00 0.00 H new ATOM 0 HA SER A 52 5.446 23.424 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.024 25.740 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.752 24.388 1.844 1.00 0.00 H new ATOM 0 HG SER A 52 6.610 25.383 1.654 1.00 0.00 H new ATOM 824 N VAL A 53 3.456 21.942 -0.260 1.00 0.00 N ATOM 825 CA VAL A 53 2.416 20.929 -0.026 1.00 0.00 C ATOM 826 C VAL A 53 2.499 20.474 1.434 1.00 0.00 C ATOM 827 O VAL A 53 3.562 20.054 1.897 1.00 0.00 O ATOM 828 CB VAL A 53 2.597 19.725 -0.982 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.596 18.586 -0.698 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.457 20.149 -2.455 1.00 0.00 C ATOM 0 H VAL A 53 4.347 21.522 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 53 1.435 21.360 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 53 3.606 19.354 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.768 17.768 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.733 18.227 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.578 18.958 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.590 19.279 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.467 20.574 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.215 20.895 -2.693 1.00 0.00 H new ATOM 840 N ASN A 54 1.374 20.534 2.153 1.00 0.00 N ATOM 841 CA ASN A 54 1.304 20.118 3.555 1.00 0.00 C ATOM 842 C ASN A 54 1.227 18.583 3.682 1.00 0.00 C ATOM 843 O ASN A 54 0.218 17.975 3.325 1.00 0.00 O ATOM 844 CB ASN A 54 0.129 20.824 4.251 1.00 0.00 C ATOM 845 CG ASN A 54 0.091 20.579 5.761 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.845 19.787 6.315 1.00 0.00 O ATOM 847 ND2 ASN A 54 -0.783 21.260 6.472 1.00 0.00 N ATOM 0 H ASN A 54 0.487 20.872 1.779 1.00 0.00 H new ATOM 0 HA ASN A 54 2.221 20.420 4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.195 21.896 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.807 20.481 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.832 21.128 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.411 21.919 6.013 1.00 0.00 H new ATOM 854 N ILE A 55 2.271 17.952 4.235 1.00 0.00 N ATOM 855 CA ILE A 55 2.357 16.481 4.395 1.00 0.00 C ATOM 856 C ILE A 55 1.319 15.898 5.364 1.00 0.00 C ATOM 857 O ILE A 55 0.959 14.733 5.234 1.00 0.00 O ATOM 858 CB ILE A 55 3.784 16.038 4.808 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.189 16.527 6.218 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.794 16.469 3.730 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.581 16.076 6.669 1.00 0.00 C ATOM 0 H ILE A 55 3.090 18.446 4.589 1.00 0.00 H new ATOM 0 HA ILE A 55 2.125 16.074 3.411 1.00 0.00 H new ATOM 0 HB ILE A 55 3.787 14.950 4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.150 17.616 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.453 16.169 6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.796 16.156 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.533 16.004 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.770 17.553 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.783 16.463 7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.623 14.987 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.330 16.456 5.974 1.00 0.00 H new ATOM 873 N LEU A 56 0.834 16.692 6.325 1.00 0.00 N ATOM 874 CA LEU A 56 -0.054 16.233 7.404 1.00 0.00 C ATOM 875 C LEU A 56 -1.546 16.203 7.012 1.00 0.00 C ATOM 876 O LEU A 56 -2.370 15.724 7.794 1.00 0.00 O ATOM 877 CB LEU A 56 0.222 17.087 8.670 1.00 0.00 C ATOM 878 CG LEU A 56 0.892 16.341 9.844 1.00 0.00 C ATOM 879 CD1 LEU A 56 0.021 15.198 10.392 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.287 15.821 9.462 1.00 0.00 C ATOM 0 H LEU A 56 1.050 17.688 6.378 1.00 0.00 H new ATOM 0 HA LEU A 56 0.176 15.189 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.856 17.928 8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.723 17.503 9.019 1.00 0.00 H new ATOM 0 HG LEU A 56 1.005 17.074 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.540 14.708 11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.926 15.602 10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.169 14.473 9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.727 15.302 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.201 15.132 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.923 16.660 9.180 1.00 0.00 H new ATOM 892 N GLU A 57 -1.901 16.663 5.806 1.00 0.00 N ATOM 893 CA GLU A 57 -3.279 16.632 5.289 1.00 0.00 C ATOM 894 C GLU A 57 -3.742 15.225 4.858 1.00 0.00 C ATOM 895 O GLU A 57 -4.948 14.985 4.755 1.00 0.00 O ATOM 896 CB GLU A 57 -3.410 17.602 4.101 1.00 0.00 C ATOM 897 CG GLU A 57 -3.334 19.079 4.513 1.00 0.00 C ATOM 898 CD GLU A 57 -4.570 19.514 5.318 1.00 0.00 C ATOM 899 OE1 GLU A 57 -5.642 19.741 4.708 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.478 19.647 6.560 1.00 0.00 O ATOM 0 H GLU A 57 -1.233 17.072 5.152 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.926 16.938 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.620 17.392 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.359 17.421 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.436 19.244 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.244 19.700 3.622 1.00 0.00 H new ATOM 907 N ASN A 58 -2.814 14.289 4.618 1.00 0.00 N ATOM 908 CA ASN A 58 -3.108 12.925 4.168 1.00 0.00 C ATOM 909 C ASN A 58 -1.953 11.971 4.533 1.00 0.00 C ATOM 910 O ASN A 58 -0.805 12.219 4.173 1.00 0.00 O ATOM 911 CB ASN A 58 -3.370 12.962 2.646 1.00 0.00 C ATOM 912 CG ASN A 58 -3.825 11.635 2.036 1.00 0.00 C ATOM 913 OD1 ASN A 58 -3.776 10.577 2.650 1.00 0.00 O ATOM 914 ND2 ASN A 58 -4.268 11.648 0.793 1.00 0.00 N ATOM 0 H ASN A 58 -1.816 14.465 4.734 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.996 12.543 4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.128 13.718 2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.457 13.282 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.567 10.780 0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.311 12.526 0.276 1.00 0.00 H new ATOM 921 N GLU A 59 -2.247 10.842 5.184 1.00 0.00 N ATOM 922 CA GLU A 59 -1.237 9.832 5.549 1.00 0.00 C ATOM 923 C GLU A 59 -0.536 9.218 4.325 1.00 0.00 C ATOM 924 O GLU A 59 0.616 8.797 4.428 1.00 0.00 O ATOM 925 CB GLU A 59 -1.880 8.726 6.404 1.00 0.00 C ATOM 926 CG GLU A 59 -2.381 9.242 7.761 1.00 0.00 C ATOM 927 CD GLU A 59 -2.960 8.094 8.602 1.00 0.00 C ATOM 928 OE1 GLU A 59 -4.174 7.805 8.482 1.00 0.00 O ATOM 929 OE2 GLU A 59 -2.208 7.476 9.394 1.00 0.00 O ATOM 0 H GLU A 59 -3.193 10.598 5.476 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.469 10.345 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.714 8.288 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.153 7.930 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.561 9.716 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.143 10.005 7.606 1.00 0.00 H new ATOM 936 N LEU A 60 -1.180 9.199 3.149 1.00 0.00 N ATOM 937 CA LEU A 60 -0.560 8.769 1.893 1.00 0.00 C ATOM 938 C LEU A 60 0.517 9.753 1.404 1.00 0.00 C ATOM 939 O LEU A 60 1.497 9.313 0.810 1.00 0.00 O ATOM 940 CB LEU A 60 -1.640 8.538 0.819 1.00 0.00 C ATOM 941 CG LEU A 60 -2.686 7.449 1.141 1.00 0.00 C ATOM 942 CD1 LEU A 60 -3.678 7.349 -0.025 1.00 0.00 C ATOM 943 CD2 LEU A 60 -2.046 6.074 1.383 1.00 0.00 C ATOM 0 H LEU A 60 -2.154 9.485 3.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.049 7.825 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.163 9.479 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.145 8.275 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.194 7.738 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.421 6.582 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.177 8.308 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.142 7.085 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.825 5.344 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.502 5.764 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.357 6.137 2.225 1.00 0.00 H new ATOM 955 N LEU A 61 0.390 11.059 1.690 1.00 0.00 N ATOM 956 CA LEU A 61 1.470 12.036 1.462 1.00 0.00 C ATOM 957 C LEU A 61 2.581 11.800 2.490 1.00 0.00 C ATOM 958 O LEU A 61 3.724 11.562 2.107 1.00 0.00 O ATOM 959 CB LEU A 61 0.946 13.490 1.542 1.00 0.00 C ATOM 960 CG LEU A 61 0.065 13.959 0.366 1.00 0.00 C ATOM 961 CD1 LEU A 61 -0.520 15.342 0.697 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.854 14.054 -0.952 1.00 0.00 C ATOM 0 H LEU A 61 -0.458 11.467 2.083 1.00 0.00 H new ATOM 0 HA LEU A 61 1.867 11.895 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.374 13.598 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.803 14.160 1.618 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.725 13.221 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.144 15.680 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.123 15.275 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.292 16.053 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.191 14.388 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.671 14.767 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.260 13.075 -1.204 1.00 0.00 H new ATOM 974 N ARG A 62 2.236 11.790 3.787 1.00 0.00 N ATOM 975 CA ARG A 62 3.187 11.639 4.903 1.00 0.00 C ATOM 976 C ARG A 62 4.063 10.372 4.785 1.00 0.00 C ATOM 977 O ARG A 62 5.247 10.416 5.113 1.00 0.00 O ATOM 978 CB ARG A 62 2.407 11.675 6.238 1.00 0.00 C ATOM 979 CG ARG A 62 3.100 12.460 7.366 1.00 0.00 C ATOM 980 CD ARG A 62 4.483 11.928 7.762 1.00 0.00 C ATOM 981 NE ARG A 62 4.957 12.554 9.011 1.00 0.00 N ATOM 982 CZ ARG A 62 6.127 12.333 9.604 1.00 0.00 C ATOM 983 NH1 ARG A 62 7.030 11.530 9.080 1.00 0.00 N ATOM 984 NH2 ARG A 62 6.404 12.920 10.749 1.00 0.00 N ATOM 0 H ARG A 62 1.269 11.889 4.097 1.00 0.00 H new ATOM 0 HA ARG A 62 3.887 12.474 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.426 12.114 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.242 10.651 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.201 13.500 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.456 12.450 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.437 10.846 7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.195 12.125 6.960 1.00 0.00 H new ATOM 0 HE ARG A 62 4.329 13.219 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.841 11.058 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.918 11.380 9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.722 13.544 11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.301 12.751 11.205 1.00 0.00 H new ATOM 998 N GLN A 63 3.502 9.253 4.311 1.00 0.00 N ATOM 999 CA GLN A 63 4.243 8.004 4.078 1.00 0.00 C ATOM 1000 C GLN A 63 4.874 7.949 2.675 1.00 0.00 C ATOM 1001 O GLN A 63 6.034 7.555 2.540 1.00 0.00 O ATOM 1002 CB GLN A 63 3.284 6.813 4.255 1.00 0.00 C ATOM 1003 CG GLN A 63 2.791 6.642 5.704 1.00 0.00 C ATOM 1004 CD GLN A 63 1.653 5.621 5.794 1.00 0.00 C ATOM 1005 OE1 GLN A 63 1.804 4.508 6.287 1.00 0.00 O ATOM 1006 NE2 GLN A 63 0.479 5.960 5.299 1.00 0.00 N ATOM 0 H GLN A 63 2.512 9.187 4.076 1.00 0.00 H new ATOM 0 HA GLN A 63 5.057 7.959 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.424 6.947 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.787 5.899 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.619 6.321 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.450 7.603 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.347 6.884 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.297 5.298 5.327 1.00 0.00 H new ATOM 1015 N GLY A 64 4.132 8.343 1.630 1.00 0.00 N ATOM 1016 CA GLY A 64 4.519 8.143 0.229 1.00 0.00 C ATOM 1017 C GLY A 64 5.593 9.099 -0.274 1.00 0.00 C ATOM 1018 O GLY A 64 6.403 8.701 -1.107 1.00 0.00 O ATOM 0 H GLY A 64 3.235 8.816 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.875 7.120 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.634 8.250 -0.398 1.00 0.00 H new ATOM 1022 N LEU A 65 5.660 10.332 0.240 1.00 0.00 N ATOM 1023 CA LEU A 65 6.657 11.333 -0.175 1.00 0.00 C ATOM 1024 C LEU A 65 8.100 10.961 0.203 1.00 0.00 C ATOM 1025 O LEU A 65 9.034 11.442 -0.436 1.00 0.00 O ATOM 1026 CB LEU A 65 6.263 12.705 0.394 1.00 0.00 C ATOM 1027 CG LEU A 65 5.042 13.345 -0.297 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.597 14.546 0.541 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.374 13.791 -1.726 1.00 0.00 C ATOM 0 H LEU A 65 5.021 10.669 0.960 1.00 0.00 H new ATOM 0 HA LEU A 65 6.651 11.368 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.051 12.598 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.113 13.381 0.305 1.00 0.00 H new ATOM 0 HG LEU A 65 4.242 12.608 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.733 15.017 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.329 14.211 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.412 15.267 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.490 14.237 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.179 14.525 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.689 12.928 -2.313 1.00 0.00 H new ATOM 1041 N LYS A 66 8.289 10.068 1.180 1.00 0.00 N ATOM 1042 CA LYS A 66 9.589 9.463 1.504 1.00 0.00 C ATOM 1043 C LYS A 66 10.074 8.517 0.382 1.00 0.00 C ATOM 1044 O LYS A 66 11.259 8.490 0.059 1.00 0.00 O ATOM 1045 CB LYS A 66 9.433 8.731 2.850 1.00 0.00 C ATOM 1046 CG LYS A 66 10.759 8.152 3.378 1.00 0.00 C ATOM 1047 CD LYS A 66 10.616 7.485 4.754 1.00 0.00 C ATOM 1048 CE LYS A 66 9.729 6.228 4.699 1.00 0.00 C ATOM 1049 NZ LYS A 66 9.705 5.515 6.006 1.00 0.00 N ATOM 0 H LYS A 66 7.532 9.739 1.779 1.00 0.00 H new ATOM 0 HA LYS A 66 10.355 10.234 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.025 9.422 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.710 7.923 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.140 7.422 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.498 8.951 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.603 7.215 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.190 8.198 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.714 6.510 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.098 5.556 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.098 4.674 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.670 5.224 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.330 6.149 6.740 1.00 0.00 H new ATOM 1063 N GLU A 67 9.156 7.755 -0.227 1.00 0.00 N ATOM 1064 CA GLU A 67 9.442 6.844 -1.349 1.00 0.00 C ATOM 1065 C GLU A 67 9.478 7.573 -2.707 1.00 0.00 C ATOM 1066 O GLU A 67 10.219 7.167 -3.602 1.00 0.00 O ATOM 1067 CB GLU A 67 8.400 5.712 -1.387 1.00 0.00 C ATOM 1068 CG GLU A 67 8.468 4.820 -0.140 1.00 0.00 C ATOM 1069 CD GLU A 67 7.580 3.579 -0.300 1.00 0.00 C ATOM 1070 OE1 GLU A 67 6.384 3.634 0.074 1.00 0.00 O ATOM 1071 OE2 GLU A 67 8.076 2.540 -0.796 1.00 0.00 O ATOM 0 H GLU A 67 8.174 7.753 0.050 1.00 0.00 H new ATOM 0 HA GLU A 67 10.435 6.427 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.402 6.142 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.560 5.103 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.499 4.513 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.151 5.388 0.735 1.00 0.00 H new ATOM 1078 N TYR A 68 8.719 8.666 -2.853 1.00 0.00 N ATOM 1079 CA TYR A 68 8.700 9.527 -4.047 1.00 0.00 C ATOM 1080 C TYR A 68 10.083 10.139 -4.357 1.00 0.00 C ATOM 1081 O TYR A 68 10.457 10.301 -5.519 1.00 0.00 O ATOM 1082 CB TYR A 68 7.650 10.630 -3.814 1.00 0.00 C ATOM 1083 CG TYR A 68 7.250 11.416 -5.049 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.404 10.817 -6.001 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.685 12.745 -5.232 1.00 0.00 C ATOM 1086 CE1 TYR A 68 5.993 11.536 -7.139 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.278 13.470 -6.367 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.434 12.864 -7.329 1.00 0.00 C ATOM 1089 OH TYR A 68 6.044 13.553 -8.437 1.00 0.00 O ATOM 0 H TYR A 68 8.082 8.987 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 68 8.440 8.924 -4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.756 10.174 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.037 11.326 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.068 9.801 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.331 13.207 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.342 11.073 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.609 14.489 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 68 6.433 14.452 -8.417 1.00 0.00 H new ATOM 1099 N SER A 69 10.856 10.448 -3.311 1.00 0.00 N ATOM 1100 CA SER A 69 12.251 10.892 -3.381 1.00 0.00 C ATOM 1101 C SER A 69 13.259 9.735 -3.220 1.00 0.00 C ATOM 1102 O SER A 69 14.084 9.511 -4.106 1.00 0.00 O ATOM 1103 CB SER A 69 12.467 11.922 -2.256 1.00 0.00 C ATOM 1104 OG SER A 69 12.080 11.385 -0.998 1.00 0.00 O ATOM 0 H SER A 69 10.512 10.393 -2.352 1.00 0.00 H new ATOM 0 HA SER A 69 12.428 11.321 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.516 12.217 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.889 12.822 -2.465 1.00 0.00 H new ATOM 0 HG SER A 69 11.971 12.113 -0.351 1.00 0.00 H new ATOM 1110 N SER A 70 13.176 9.031 -2.082 1.00 0.00 N ATOM 1111 CA SER A 70 14.070 8.018 -1.480 1.00 0.00 C ATOM 1112 C SER A 70 14.804 8.609 -0.244 1.00 0.00 C ATOM 1113 O SER A 70 15.579 7.912 0.421 1.00 0.00 O ATOM 1114 CB SER A 70 15.082 7.394 -2.464 1.00 0.00 C ATOM 1115 OG SER A 70 15.746 6.273 -1.893 1.00 0.00 O ATOM 0 H SER A 70 12.369 9.176 -1.475 1.00 0.00 H new ATOM 0 HA SER A 70 13.421 7.199 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.564 7.087 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.818 8.144 -2.754 1.00 0.00 H new ATOM 0 HG SER A 70 15.927 6.448 -0.946 1.00 0.00 H new ATOM 1121 N TRP A 71 14.581 9.895 0.066 1.00 0.00 N ATOM 1122 CA TRP A 71 15.194 10.641 1.171 1.00 0.00 C ATOM 1123 C TRP A 71 14.366 10.514 2.473 1.00 0.00 C ATOM 1124 O TRP A 71 13.147 10.703 2.430 1.00 0.00 O ATOM 1125 CB TRP A 71 15.322 12.109 0.735 1.00 0.00 C ATOM 1126 CG TRP A 71 15.717 13.089 1.800 1.00 0.00 C ATOM 1127 CD1 TRP A 71 14.855 13.835 2.528 1.00 0.00 C ATOM 1128 CD2 TRP A 71 17.049 13.427 2.298 1.00 0.00 C ATOM 1129 NE1 TRP A 71 15.549 14.599 3.441 1.00 0.00 N ATOM 1130 CE2 TRP A 71 16.906 14.371 3.363 1.00 0.00 C ATOM 1131 CE3 TRP A 71 18.361 13.017 1.975 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 18.005 14.870 4.078 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 19.470 13.519 2.682 1.00 0.00 C ATOM 1134 CH2 TRP A 71 19.297 14.437 3.734 1.00 0.00 C ATOM 0 H TRP A 71 13.936 10.470 -0.475 1.00 0.00 H new ATOM 0 HA TRP A 71 16.178 10.228 1.393 1.00 0.00 H new ATOM 0 HB2 TRP A 71 16.056 12.164 -0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 71 14.367 12.426 0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.781 13.832 2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 71 15.113 15.251 4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 71 18.516 12.309 1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 17.860 15.577 4.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.465 13.196 2.414 1.00 0.00 H new ATOM 0 HH2 TRP A 71 20.155 14.808 4.276 1.00 0.00 H new ATOM 1145 N PRO A 72 14.993 10.200 3.630 1.00 0.00 N ATOM 1146 CA PRO A 72 14.305 10.062 4.912 1.00 0.00 C ATOM 1147 C PRO A 72 14.079 11.428 5.582 1.00 0.00 C ATOM 1148 O PRO A 72 14.955 12.293 5.536 1.00 0.00 O ATOM 1149 CB PRO A 72 15.220 9.168 5.755 1.00 0.00 C ATOM 1150 CG PRO A 72 16.620 9.540 5.263 1.00 0.00 C ATOM 1151 CD PRO A 72 16.398 9.838 3.779 1.00 0.00 C ATOM 0 HA PRO A 72 13.311 9.631 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.103 9.363 6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.006 8.111 5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.017 10.406 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.329 8.725 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 72 17.044 10.650 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.640 8.968 3.169 1.00 0.00 H new ATOM 1159 N THR A 73 12.917 11.582 6.240 1.00 0.00 N ATOM 1160 CA THR A 73 12.473 12.725 7.081 1.00 0.00 C ATOM 1161 C THR A 73 12.076 13.977 6.280 1.00 0.00 C ATOM 1162 O THR A 73 12.379 14.111 5.094 1.00 0.00 O ATOM 1163 CB THR A 73 13.439 13.080 8.231 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.587 13.703 7.722 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.855 11.864 9.062 1.00 0.00 C ATOM 0 H THR A 73 12.201 10.856 6.199 1.00 0.00 H new ATOM 0 HA THR A 73 11.562 12.349 7.547 1.00 0.00 H new ATOM 0 HB THR A 73 12.897 13.757 8.891 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.695 13.467 6.777 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.534 12.180 9.854 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.970 11.405 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.357 11.140 8.421 1.00 0.00 H new ATOM 1173 N PHE A 74 11.388 14.901 6.961 1.00 0.00 N ATOM 1174 CA PHE A 74 10.886 16.175 6.425 1.00 0.00 C ATOM 1175 C PHE A 74 11.396 17.373 7.264 1.00 0.00 C ATOM 1176 O PHE A 74 11.733 17.171 8.437 1.00 0.00 O ATOM 1177 CB PHE A 74 9.348 16.116 6.401 1.00 0.00 C ATOM 1178 CG PHE A 74 8.800 15.032 5.492 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.722 15.256 4.103 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.410 13.787 6.024 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.267 14.235 3.250 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.956 12.769 5.171 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.888 12.989 3.784 1.00 0.00 C ATOM 0 H PHE A 74 11.155 14.777 7.946 1.00 0.00 H new ATOM 0 HA PHE A 74 11.260 16.324 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.982 15.949 7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.960 17.082 6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.012 16.212 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.460 13.616 7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.208 14.407 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.658 11.815 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.545 12.202 3.128 1.00 0.00 H new ATOM 1193 N PRO A 75 11.415 18.618 6.731 1.00 0.00 N ATOM 1194 CA PRO A 75 11.050 19.036 5.371 1.00 0.00 C ATOM 1195 C PRO A 75 11.903 18.420 4.255 1.00 0.00 C ATOM 1196 O PRO A 75 13.014 17.950 4.495 1.00 0.00 O ATOM 1197 CB PRO A 75 11.189 20.565 5.348 1.00 0.00 C ATOM 1198 CG PRO A 75 10.978 20.948 6.808 1.00 0.00 C ATOM 1199 CD PRO A 75 11.674 19.804 7.538 1.00 0.00 C ATOM 0 HA PRO A 75 10.039 18.686 5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.169 20.876 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.447 21.028 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.423 21.914 7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.921 21.013 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.744 19.990 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.282 19.686 8.548 1.00 0.00 H new ATOM 1207 N GLN A 76 11.372 18.446 3.028 1.00 0.00 N ATOM 1208 CA GLN A 76 12.005 17.893 1.828 1.00 0.00 C ATOM 1209 C GLN A 76 11.769 18.828 0.628 1.00 0.00 C ATOM 1210 O GLN A 76 10.641 19.239 0.357 1.00 0.00 O ATOM 1211 CB GLN A 76 11.450 16.474 1.594 1.00 0.00 C ATOM 1212 CG GLN A 76 11.927 15.795 0.301 1.00 0.00 C ATOM 1213 CD GLN A 76 11.354 14.381 0.188 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.960 13.413 0.613 1.00 0.00 O ATOM 1215 NE2 GLN A 76 10.181 14.181 -0.384 1.00 0.00 N ATOM 0 H GLN A 76 10.462 18.866 2.838 1.00 0.00 H new ATOM 0 HA GLN A 76 13.085 17.820 1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.730 15.847 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.361 16.524 1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.620 16.387 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.016 15.753 0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.650 14.972 -0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.805 13.236 -0.461 1.00 0.00 H new ATOM 1224 N LEU A 77 12.846 19.154 -0.091 1.00 0.00 N ATOM 1225 CA LEU A 77 12.869 20.053 -1.249 1.00 0.00 C ATOM 1226 C LEU A 77 12.854 19.226 -2.546 1.00 0.00 C ATOM 1227 O LEU A 77 13.568 18.229 -2.655 1.00 0.00 O ATOM 1228 CB LEU A 77 14.148 20.908 -1.102 1.00 0.00 C ATOM 1229 CG LEU A 77 14.234 22.241 -1.878 1.00 0.00 C ATOM 1230 CD1 LEU A 77 15.594 22.882 -1.566 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.080 22.144 -3.401 1.00 0.00 C ATOM 0 H LEU A 77 13.770 18.781 0.128 1.00 0.00 H new ATOM 0 HA LEU A 77 11.996 20.704 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.278 21.131 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.995 20.293 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 77 13.383 22.834 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.682 23.827 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.673 23.064 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.393 22.211 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.157 23.139 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.866 21.507 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.107 21.717 -3.642 1.00 0.00 H new ATOM 1243 N TYR A 78 12.071 19.653 -3.540 1.00 0.00 N ATOM 1244 CA TYR A 78 11.917 18.984 -4.837 1.00 0.00 C ATOM 1245 C TYR A 78 11.837 19.989 -6.004 1.00 0.00 C ATOM 1246 O TYR A 78 11.149 21.011 -5.914 1.00 0.00 O ATOM 1247 CB TYR A 78 10.669 18.092 -4.742 1.00 0.00 C ATOM 1248 CG TYR A 78 10.565 16.996 -5.784 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.142 17.293 -7.091 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.854 15.665 -5.427 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.018 16.262 -8.039 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.724 14.628 -6.369 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.302 14.926 -7.682 1.00 0.00 C ATOM 1254 OH TYR A 78 10.151 13.932 -8.599 1.00 0.00 O ATOM 0 H TYR A 78 11.509 20.500 -3.463 1.00 0.00 H new ATOM 0 HA TYR A 78 12.794 18.375 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.648 17.632 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.785 18.725 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.913 18.312 -7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.178 15.438 -4.422 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.704 16.493 -9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.946 13.609 -6.088 1.00 0.00 H new ATOM 0 HH TYR A 78 10.389 13.073 -8.192 1.00 0.00 H new ATOM 1264 N ILE A 79 12.531 19.710 -7.111 1.00 0.00 N ATOM 1265 CA ILE A 79 12.722 20.629 -8.247 1.00 0.00 C ATOM 1266 C ILE A 79 12.752 19.898 -9.601 1.00 0.00 C ATOM 1267 O ILE A 79 13.507 18.947 -9.791 1.00 0.00 O ATOM 1268 CB ILE A 79 14.003 21.492 -8.076 1.00 0.00 C ATOM 1269 CG1 ILE A 79 15.215 20.718 -7.500 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.686 22.747 -7.248 1.00 0.00 C ATOM 1271 CD1 ILE A 79 16.523 21.524 -7.511 1.00 0.00 C ATOM 0 H ILE A 79 12.992 18.811 -7.250 1.00 0.00 H new ATOM 0 HA ILE A 79 11.854 21.289 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 79 14.314 21.790 -9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.991 20.419 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.357 19.803 -8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.590 23.345 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.923 23.336 -7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.320 22.451 -6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.327 20.918 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.772 21.800 -8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.400 22.426 -6.912 1.00 0.00 H new ATOM 1283 N ASP A 80 11.935 20.369 -10.549 1.00 0.00 N ATOM 1284 CA ASP A 80 11.909 19.998 -11.982 1.00 0.00 C ATOM 1285 C ASP A 80 11.967 18.480 -12.289 1.00 0.00 C ATOM 1286 O ASP A 80 12.512 18.059 -13.314 1.00 0.00 O ATOM 1287 CB ASP A 80 12.969 20.830 -12.730 1.00 0.00 C ATOM 1288 CG ASP A 80 12.749 20.891 -14.254 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.612 21.211 -14.682 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.722 20.704 -15.026 1.00 0.00 O ATOM 0 H ASP A 80 11.224 21.066 -10.329 1.00 0.00 H new ATOM 0 HA ASP A 80 10.919 20.250 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.969 21.844 -12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.955 20.409 -12.531 1.00 0.00 H new ATOM 1295 N GLY A 81 11.397 17.651 -11.399 1.00 0.00 N ATOM 1296 CA GLY A 81 11.339 16.188 -11.537 1.00 0.00 C ATOM 1297 C GLY A 81 12.343 15.399 -10.685 1.00 0.00 C ATOM 1298 O GLY A 81 12.466 14.192 -10.898 1.00 0.00 O ATOM 0 H GLY A 81 10.954 17.988 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.333 15.857 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.500 15.934 -12.585 1.00 0.00 H new ATOM 1302 N GLU A 82 13.044 16.028 -9.734 1.00 0.00 N ATOM 1303 CA GLU A 82 13.977 15.346 -8.826 1.00 0.00 C ATOM 1304 C GLU A 82 14.017 16.003 -7.430 1.00 0.00 C ATOM 1305 O GLU A 82 13.827 17.212 -7.285 1.00 0.00 O ATOM 1306 CB GLU A 82 15.373 15.302 -9.479 1.00 0.00 C ATOM 1307 CG GLU A 82 16.326 14.301 -8.816 1.00 0.00 C ATOM 1308 CD GLU A 82 17.607 14.128 -9.644 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.527 14.973 -9.532 1.00 0.00 O ATOM 1310 OE2 GLU A 82 17.705 13.142 -10.413 1.00 0.00 O ATOM 0 H GLU A 82 12.980 17.033 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 82 13.626 14.327 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.265 15.045 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.817 16.297 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.581 14.645 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.828 13.338 -8.705 1.00 0.00 H new ATOM 1317 N PHE A 83 14.271 15.207 -6.383 1.00 0.00 N ATOM 1318 CA PHE A 83 14.444 15.719 -5.019 1.00 0.00 C ATOM 1319 C PHE A 83 15.859 16.297 -4.807 1.00 0.00 C ATOM 1320 O PHE A 83 16.828 15.846 -5.422 1.00 0.00 O ATOM 1321 CB PHE A 83 14.094 14.630 -3.990 1.00 0.00 C ATOM 1322 CG PHE A 83 15.237 13.686 -3.668 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.517 12.582 -4.499 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.042 13.934 -2.542 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.604 11.740 -4.203 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.140 13.107 -2.263 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.421 12.007 -3.091 1.00 0.00 C ATOM 0 H PHE A 83 14.362 14.194 -6.458 1.00 0.00 H new ATOM 0 HA PHE A 83 13.751 16.547 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.764 15.110 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.252 14.048 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.898 12.383 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.814 14.764 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.811 10.887 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.770 13.316 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.264 11.368 -2.873 1.00 0.00 H new ATOM 1337 N PHE A 84 15.981 17.285 -3.911 1.00 0.00 N ATOM 1338 CA PHE A 84 17.268 17.869 -3.511 1.00 0.00 C ATOM 1339 C PHE A 84 17.717 17.427 -2.101 1.00 0.00 C ATOM 1340 O PHE A 84 18.915 17.242 -1.876 1.00 0.00 O ATOM 1341 CB PHE A 84 17.175 19.396 -3.622 1.00 0.00 C ATOM 1342 CG PHE A 84 18.534 20.063 -3.610 1.00 0.00 C ATOM 1343 CD1 PHE A 84 19.269 20.162 -4.806 1.00 0.00 C ATOM 1344 CD2 PHE A 84 19.094 20.528 -2.404 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.559 20.718 -4.798 1.00 0.00 C ATOM 1346 CE2 PHE A 84 20.390 21.075 -2.396 1.00 0.00 C ATOM 1347 CZ PHE A 84 21.121 21.171 -3.593 1.00 0.00 C ATOM 0 H PHE A 84 15.181 17.706 -3.439 1.00 0.00 H new ATOM 0 HA PHE A 84 18.038 17.498 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.653 19.659 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.578 19.781 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.840 19.810 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.529 20.465 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 84 21.119 20.797 -5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.824 21.421 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 84 22.115 21.593 -3.586 1.00 0.00 H new ATOM 1357 N GLY A 85 16.769 17.217 -1.175 1.00 0.00 N ATOM 1358 CA GLY A 85 17.015 16.735 0.194 1.00 0.00 C ATOM 1359 C GLY A 85 16.419 17.640 1.272 1.00 0.00 C ATOM 1360 O GLY A 85 15.415 18.315 1.035 1.00 0.00 O ATOM 0 H GLY A 85 15.780 17.383 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.598 15.734 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.090 16.651 0.354 1.00 0.00 H new ATOM 1364 N GLY A 86 17.016 17.614 2.468 1.00 0.00 N ATOM 1365 CA GLY A 86 16.556 18.357 3.653 1.00 0.00 C ATOM 1366 C GLY A 86 17.184 19.741 3.805 1.00 0.00 C ATOM 1367 O GLY A 86 17.982 20.183 2.977 1.00 0.00 O ATOM 0 H GLY A 86 17.855 17.062 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.473 18.465 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.777 17.770 4.545 1.00 0.00 H new ATOM 1371 N CYS A 87 16.835 20.439 4.891 1.00 0.00 N ATOM 1372 CA CYS A 87 17.282 21.814 5.156 1.00 0.00 C ATOM 1373 C CYS A 87 18.804 21.931 5.329 1.00 0.00 C ATOM 1374 O CYS A 87 19.404 22.823 4.738 1.00 0.00 O ATOM 1375 CB CYS A 87 16.511 22.346 6.372 1.00 0.00 C ATOM 1376 SG CYS A 87 16.886 24.112 6.617 1.00 0.00 S ATOM 0 H CYS A 87 16.228 20.063 5.619 1.00 0.00 H new ATOM 0 HA CYS A 87 17.060 22.430 4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.440 22.210 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 87 16.783 21.780 7.263 1.00 0.00 H new ATOM 0 HG CYS A 87 17.007 24.358 7.888 1.00 0.00 H new ATOM 1382 N ASP A 88 19.444 21.015 6.058 1.00 0.00 N ATOM 1383 CA ASP A 88 20.902 21.028 6.264 1.00 0.00 C ATOM 1384 C ASP A 88 21.655 20.939 4.926 1.00 0.00 C ATOM 1385 O ASP A 88 22.533 21.759 4.648 1.00 0.00 O ATOM 1386 CB ASP A 88 21.308 19.878 7.197 1.00 0.00 C ATOM 1387 CG ASP A 88 20.774 20.074 8.625 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.401 20.835 9.402 1.00 0.00 O ATOM 1389 OD2 ASP A 88 19.738 19.457 8.966 1.00 0.00 O ATOM 0 H ASP A 88 18.970 20.241 6.524 1.00 0.00 H new ATOM 0 HA ASP A 88 21.176 21.974 6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.932 18.937 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 88 22.395 19.801 7.225 1.00 0.00 H new ATOM 1394 N ILE A 89 21.229 20.012 4.055 1.00 0.00 N ATOM 1395 CA ILE A 89 21.755 19.870 2.683 1.00 0.00 C ATOM 1396 C ILE A 89 21.536 21.166 1.896 1.00 0.00 C ATOM 1397 O ILE A 89 22.471 21.664 1.274 1.00 0.00 O ATOM 1398 CB ILE A 89 21.105 18.658 1.963 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.221 17.325 2.745 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.688 18.491 0.548 1.00 0.00 C ATOM 1401 CD1 ILE A 89 22.646 16.898 3.124 1.00 0.00 C ATOM 0 H ILE A 89 20.503 19.332 4.282 1.00 0.00 H new ATOM 0 HA ILE A 89 22.827 19.681 2.739 1.00 0.00 H new ATOM 0 HB ILE A 89 20.041 18.887 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 89 20.631 17.408 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.771 16.533 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.220 17.636 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.494 19.392 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.763 18.326 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 89 22.611 15.954 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 89 23.241 16.774 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 89 23.099 17.663 3.755 1.00 0.00 H new ATOM 1413 N THR A 90 20.331 21.745 1.990 1.00 0.00 N ATOM 1414 CA THR A 90 19.928 22.978 1.292 1.00 0.00 C ATOM 1415 C THR A 90 20.781 24.162 1.739 1.00 0.00 C ATOM 1416 O THR A 90 21.298 24.883 0.895 1.00 0.00 O ATOM 1417 CB THR A 90 18.438 23.259 1.516 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.690 22.149 1.073 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.944 24.470 0.730 1.00 0.00 C ATOM 0 H THR A 90 19.587 21.359 2.570 1.00 0.00 H new ATOM 0 HA THR A 90 20.091 22.835 0.224 1.00 0.00 H new ATOM 0 HB THR A 90 18.309 23.452 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.662 21.470 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.883 24.623 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.501 25.355 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.095 24.298 -0.336 1.00 0.00 H new ATOM 1427 N VAL A 91 20.966 24.349 3.048 1.00 0.00 N ATOM 1428 CA VAL A 91 21.750 25.447 3.639 1.00 0.00 C ATOM 1429 C VAL A 91 23.232 25.348 3.244 1.00 0.00 C ATOM 1430 O VAL A 91 23.811 26.351 2.830 1.00 0.00 O ATOM 1431 CB VAL A 91 21.580 25.478 5.179 1.00 0.00 C ATOM 1432 CG1 VAL A 91 22.580 26.410 5.890 1.00 0.00 C ATOM 1433 CG2 VAL A 91 20.161 25.948 5.551 1.00 0.00 C ATOM 0 H VAL A 91 20.565 23.726 3.749 1.00 0.00 H new ATOM 0 HA VAL A 91 21.367 26.386 3.240 1.00 0.00 H new ATOM 0 HB VAL A 91 21.766 24.457 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.403 26.382 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.597 26.079 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.448 27.429 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 91 20.056 25.965 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.994 26.950 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 91 19.428 25.263 5.126 1.00 0.00 H new ATOM 1443 N GLU A 92 23.847 24.161 3.330 1.00 0.00 N ATOM 1444 CA GLU A 92 25.250 23.973 2.942 1.00 0.00 C ATOM 1445 C GLU A 92 25.445 24.113 1.424 1.00 0.00 C ATOM 1446 O GLU A 92 26.423 24.722 0.986 1.00 0.00 O ATOM 1447 CB GLU A 92 25.771 22.609 3.424 1.00 0.00 C ATOM 1448 CG GLU A 92 25.947 22.559 4.946 1.00 0.00 C ATOM 1449 CD GLU A 92 26.653 21.263 5.374 1.00 0.00 C ATOM 1450 OE1 GLU A 92 27.908 21.244 5.423 1.00 0.00 O ATOM 1451 OE2 GLU A 92 25.966 20.259 5.674 1.00 0.00 O ATOM 0 H GLU A 92 23.391 23.313 3.667 1.00 0.00 H new ATOM 0 HA GLU A 92 25.828 24.761 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 92 25.077 21.827 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.726 22.396 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.527 23.420 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.973 22.625 5.431 1.00 0.00 H new ATOM 1458 N ALA A 93 24.511 23.615 0.611 1.00 0.00 N ATOM 1459 CA ALA A 93 24.554 23.746 -0.844 1.00 0.00 C ATOM 1460 C ALA A 93 24.350 25.190 -1.313 1.00 0.00 C ATOM 1461 O ALA A 93 25.004 25.613 -2.260 1.00 0.00 O ATOM 1462 CB ALA A 93 23.493 22.813 -1.427 1.00 0.00 C ATOM 0 H ALA A 93 23.696 23.104 0.950 1.00 0.00 H new ATOM 0 HA ALA A 93 25.545 23.465 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.500 22.888 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.710 21.786 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.511 23.098 -1.050 1.00 0.00 H new ATOM 1468 N TYR A 94 23.484 25.970 -0.662 1.00 0.00 N ATOM 1469 CA TYR A 94 23.278 27.394 -0.957 1.00 0.00 C ATOM 1470 C TYR A 94 24.527 28.236 -0.661 1.00 0.00 C ATOM 1471 O TYR A 94 24.906 29.083 -1.474 1.00 0.00 O ATOM 1472 CB TYR A 94 22.067 27.889 -0.153 1.00 0.00 C ATOM 1473 CG TYR A 94 21.661 29.325 -0.430 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.269 29.711 -1.728 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.628 30.264 0.620 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.839 31.028 -1.976 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.196 31.581 0.380 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.798 31.969 -0.921 1.00 0.00 C ATOM 1479 OH TYR A 94 20.365 33.239 -1.150 1.00 0.00 O ATOM 0 H TYR A 94 22.896 25.627 0.097 1.00 0.00 H new ATOM 0 HA TYR A 94 23.086 27.509 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.218 27.239 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.288 27.788 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.299 28.994 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.936 29.971 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.540 31.320 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.168 32.296 1.189 1.00 0.00 H new ATOM 0 HH TYR A 94 20.401 33.752 -0.316 1.00 0.00 H new ATOM 1489 N LYS A 95 25.216 27.941 0.448 1.00 0.00 N ATOM 1490 CA LYS A 95 26.507 28.543 0.812 1.00 0.00 C ATOM 1491 C LYS A 95 27.661 28.088 -0.105 1.00 0.00 C ATOM 1492 O LYS A 95 28.580 28.860 -0.377 1.00 0.00 O ATOM 1493 CB LYS A 95 26.803 28.202 2.282 1.00 0.00 C ATOM 1494 CG LYS A 95 25.882 28.961 3.253 1.00 0.00 C ATOM 1495 CD LYS A 95 26.095 28.474 4.696 1.00 0.00 C ATOM 1496 CE LYS A 95 25.188 29.205 5.701 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.604 30.617 5.931 1.00 0.00 N ATOM 0 H LYS A 95 24.885 27.262 1.133 1.00 0.00 H new ATOM 0 HA LYS A 95 26.434 29.622 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.684 27.129 2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.842 28.443 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 95 26.083 30.031 3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.841 28.815 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.901 27.403 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 95 27.138 28.623 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 95 24.161 29.188 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 95 25.198 28.669 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.960 31.062 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 26.574 30.637 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.569 31.140 5.033 1.00 0.00 H new ATOM 1511 N SER A 96 27.599 26.858 -0.628 1.00 0.00 N ATOM 1512 CA SER A 96 28.608 26.300 -1.547 1.00 0.00 C ATOM 1513 C SER A 96 28.360 26.663 -3.028 1.00 0.00 C ATOM 1514 O SER A 96 29.231 26.436 -3.870 1.00 0.00 O ATOM 1515 CB SER A 96 28.652 24.770 -1.384 1.00 0.00 C ATOM 1516 OG SER A 96 28.874 24.379 -0.036 1.00 0.00 O ATOM 0 H SER A 96 26.838 26.210 -0.424 1.00 0.00 H new ATOM 0 HA SER A 96 29.565 26.746 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.713 24.342 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.443 24.362 -2.014 1.00 0.00 H new ATOM 0 HG SER A 96 28.014 24.305 0.429 1.00 0.00 H new ATOM 1522 N GLY A 97 27.177 27.208 -3.364 1.00 0.00 N ATOM 1523 CA GLY A 97 26.760 27.574 -4.729 1.00 0.00 C ATOM 1524 C GLY A 97 26.072 26.438 -5.499 1.00 0.00 C ATOM 1525 O GLY A 97 25.575 26.655 -6.604 1.00 0.00 O ATOM 0 H GLY A 97 26.460 27.413 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.081 28.425 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.636 27.901 -5.290 1.00 0.00 H new ATOM 1529 N GLU A 98 25.994 25.242 -4.914 1.00 0.00 N ATOM 1530 CA GLU A 98 25.460 24.030 -5.548 1.00 0.00 C ATOM 1531 C GLU A 98 23.931 24.094 -5.691 1.00 0.00 C ATOM 1532 O GLU A 98 23.404 23.780 -6.755 1.00 0.00 O ATOM 1533 CB GLU A 98 25.884 22.782 -4.754 1.00 0.00 C ATOM 1534 CG GLU A 98 27.404 22.671 -4.586 1.00 0.00 C ATOM 1535 CD GLU A 98 27.791 21.326 -3.955 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.814 21.226 -2.707 1.00 0.00 O ATOM 1537 OE2 GLU A 98 28.084 20.362 -4.704 1.00 0.00 O ATOM 0 H GLU A 98 26.309 25.082 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 98 25.878 23.964 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.415 22.807 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.513 21.891 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.889 22.774 -5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.765 23.487 -3.961 1.00 0.00 H new ATOM 1544 N LEU A 99 23.211 24.584 -4.669 1.00 0.00 N ATOM 1545 CA LEU A 99 21.764 24.817 -4.785 1.00 0.00 C ATOM 1546 C LEU A 99 21.489 25.891 -5.839 1.00 0.00 C ATOM 1547 O LEU A 99 20.579 25.731 -6.645 1.00 0.00 O ATOM 1548 CB LEU A 99 21.169 25.223 -3.418 1.00 0.00 C ATOM 1549 CG LEU A 99 19.637 25.433 -3.438 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.869 24.108 -3.543 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.211 26.177 -2.171 1.00 0.00 C ATOM 0 H LEU A 99 23.605 24.825 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 99 21.283 23.891 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.411 24.454 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.648 26.143 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 99 19.394 26.020 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.798 24.308 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.151 23.596 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 99 19.112 23.478 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.131 26.326 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.487 25.591 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.711 27.145 -2.132 1.00 0.00 H new ATOM 1563 N GLN A 100 22.282 26.967 -5.862 1.00 0.00 N ATOM 1564 CA GLN A 100 22.106 28.071 -6.812 1.00 0.00 C ATOM 1565 C GLN A 100 22.228 27.541 -8.251 1.00 0.00 C ATOM 1566 O GLN A 100 21.320 27.747 -9.058 1.00 0.00 O ATOM 1567 CB GLN A 100 23.124 29.197 -6.524 1.00 0.00 C ATOM 1568 CG GLN A 100 23.096 29.727 -5.073 1.00 0.00 C ATOM 1569 CD GLN A 100 24.026 30.931 -4.846 1.00 0.00 C ATOM 1570 OE1 GLN A 100 24.158 31.824 -5.673 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.713 31.011 -3.722 1.00 0.00 N ATOM 0 H GLN A 100 23.065 27.098 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 100 21.110 28.498 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 100 24.126 28.829 -6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 100 22.932 30.026 -7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.075 30.012 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.382 28.923 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 100 24.622 30.281 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.335 31.803 -3.560 1.00 0.00 H new ATOM 1580 N GLU A 101 23.282 26.762 -8.532 1.00 0.00 N ATOM 1581 CA GLU A 101 23.477 26.064 -9.805 1.00 0.00 C ATOM 1582 C GLU A 101 22.299 25.132 -10.135 1.00 0.00 C ATOM 1583 O GLU A 101 21.760 25.190 -11.239 1.00 0.00 O ATOM 1584 CB GLU A 101 24.782 25.252 -9.720 1.00 0.00 C ATOM 1585 CG GLU A 101 25.129 24.500 -11.011 1.00 0.00 C ATOM 1586 CD GLU A 101 26.161 23.401 -10.727 1.00 0.00 C ATOM 1587 OE1 GLU A 101 25.750 22.292 -10.306 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.376 23.636 -10.924 1.00 0.00 O ATOM 0 H GLU A 101 24.036 26.598 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 101 23.535 26.803 -10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.602 25.925 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.700 24.534 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.227 24.060 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.524 25.197 -11.751 1.00 0.00 H new ATOM 1595 N GLN A 102 21.892 24.263 -9.203 1.00 0.00 N ATOM 1596 CA GLN A 102 20.861 23.260 -9.462 1.00 0.00 C ATOM 1597 C GLN A 102 19.448 23.856 -9.579 1.00 0.00 C ATOM 1598 O GLN A 102 18.651 23.353 -10.366 1.00 0.00 O ATOM 1599 CB GLN A 102 20.952 22.128 -8.423 1.00 0.00 C ATOM 1600 CG GLN A 102 22.235 21.282 -8.588 1.00 0.00 C ATOM 1601 CD GLN A 102 22.324 20.579 -9.947 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.421 19.868 -10.370 1.00 0.00 O ATOM 1603 NE2 GLN A 102 23.390 20.762 -10.703 1.00 0.00 N ATOM 0 H GLN A 102 22.267 24.237 -8.255 1.00 0.00 H new ATOM 0 HA GLN A 102 21.056 22.831 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.928 22.555 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.079 21.482 -8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 102 23.106 21.926 -8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 102 22.274 20.534 -7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.155 21.350 -10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.449 20.316 -11.618 1.00 0.00 H new ATOM 1612 N VAL A 103 19.130 24.937 -8.859 1.00 0.00 N ATOM 1613 CA VAL A 103 17.874 25.692 -9.031 1.00 0.00 C ATOM 1614 C VAL A 103 17.857 26.434 -10.375 1.00 0.00 C ATOM 1615 O VAL A 103 16.825 26.421 -11.043 1.00 0.00 O ATOM 1616 CB VAL A 103 17.622 26.663 -7.856 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.413 27.589 -8.089 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.347 25.876 -6.560 1.00 0.00 C ATOM 0 H VAL A 103 19.738 25.319 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 103 17.058 24.969 -9.033 1.00 0.00 H new ATOM 0 HB VAL A 103 18.524 27.270 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.288 28.247 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.581 28.189 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.514 26.987 -8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.171 26.574 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.467 25.247 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.208 25.250 -6.325 1.00 0.00 H new ATOM 1628 N GLU A 104 18.973 27.022 -10.826 1.00 0.00 N ATOM 1629 CA GLU A 104 19.069 27.555 -12.190 1.00 0.00 C ATOM 1630 C GLU A 104 18.882 26.442 -13.239 1.00 0.00 C ATOM 1631 O GLU A 104 18.110 26.605 -14.186 1.00 0.00 O ATOM 1632 CB GLU A 104 20.407 28.280 -12.411 1.00 0.00 C ATOM 1633 CG GLU A 104 20.401 29.689 -11.805 1.00 0.00 C ATOM 1634 CD GLU A 104 21.682 30.452 -12.173 1.00 0.00 C ATOM 1635 OE1 GLU A 104 21.728 31.065 -13.268 1.00 0.00 O ATOM 1636 OE2 GLU A 104 22.654 30.449 -11.381 1.00 0.00 O ATOM 0 H GLU A 104 19.819 27.140 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 104 18.263 28.279 -12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.214 27.697 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.612 28.345 -13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.531 30.239 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.312 29.622 -10.721 1.00 0.00 H new ATOM 1643 N LYS A 105 19.501 25.271 -13.037 1.00 0.00 N ATOM 1644 CA LYS A 105 19.294 24.093 -13.889 1.00 0.00 C ATOM 1645 C LYS A 105 17.826 23.626 -13.897 1.00 0.00 C ATOM 1646 O LYS A 105 17.293 23.300 -14.957 1.00 0.00 O ATOM 1647 CB LYS A 105 20.269 22.981 -13.458 1.00 0.00 C ATOM 1648 CG LYS A 105 20.198 21.683 -14.285 1.00 0.00 C ATOM 1649 CD LYS A 105 20.451 21.896 -15.784 1.00 0.00 C ATOM 1650 CE LYS A 105 20.486 20.544 -16.511 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.581 20.720 -17.984 1.00 0.00 N ATOM 0 H LYS A 105 20.161 25.114 -12.276 1.00 0.00 H new ATOM 0 HA LYS A 105 19.511 24.362 -14.923 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.285 23.371 -13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.076 22.737 -12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.931 20.975 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 105 19.216 21.230 -14.151 1.00 0.00 H new ATOM 0 HD2 LYS A 105 19.668 22.525 -16.207 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.395 22.421 -15.930 1.00 0.00 H new ATOM 0 HE2 LYS A 105 21.337 19.962 -16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 105 19.588 19.976 -16.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.517 19.792 -18.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 19.802 21.326 -18.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.490 21.165 -18.223 1.00 0.00 H new ATOM 1665 N ALA A 106 17.136 23.656 -12.752 1.00 0.00 N ATOM 1666 CA ALA A 106 15.701 23.372 -12.655 1.00 0.00 C ATOM 1667 C ALA A 106 14.830 24.367 -13.449 1.00 0.00 C ATOM 1668 O ALA A 106 13.774 23.982 -13.954 1.00 0.00 O ATOM 1669 CB ALA A 106 15.310 23.344 -11.172 1.00 0.00 C ATOM 0 H ALA A 106 17.565 23.881 -11.854 1.00 0.00 H new ATOM 0 HA ALA A 106 15.512 22.400 -13.112 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.244 23.134 -11.081 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.878 22.567 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.529 24.311 -10.720 1.00 0.00 H new ATOM 1675 N MET A 107 15.272 25.622 -13.613 1.00 0.00 N ATOM 1676 CA MET A 107 14.567 26.619 -14.429 1.00 0.00 C ATOM 1677 C MET A 107 14.782 26.393 -15.932 1.00 0.00 C ATOM 1678 O MET A 107 13.799 26.352 -16.670 1.00 0.00 O ATOM 1679 CB MET A 107 14.941 28.049 -14.006 1.00 0.00 C ATOM 1680 CG MET A 107 14.457 28.373 -12.585 1.00 0.00 C ATOM 1681 SD MET A 107 12.663 28.276 -12.331 1.00 0.00 S ATOM 1682 CE MET A 107 12.632 28.518 -10.539 1.00 0.00 C ATOM 0 H MET A 107 16.128 25.974 -13.184 1.00 0.00 H new ATOM 0 HA MET A 107 13.500 26.490 -14.246 1.00 0.00 H new ATOM 0 HB2 MET A 107 16.023 28.171 -14.057 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.506 28.760 -14.708 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.943 27.689 -11.889 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.789 29.379 -12.327 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.603 28.473 -10.183 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.217 27.736 -10.056 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.057 29.492 -10.296 1.00 0.00 H new ATOM 1692 N CYS A 108 16.025 26.209 -16.396 1.00 0.00 N ATOM 1693 CA CYS A 108 16.320 26.059 -17.831 1.00 0.00 C ATOM 1694 C CYS A 108 16.054 24.649 -18.410 1.00 0.00 C ATOM 1695 O CYS A 108 15.808 24.534 -19.616 1.00 0.00 O ATOM 1696 CB CYS A 108 17.760 26.531 -18.098 1.00 0.00 C ATOM 1697 SG CYS A 108 18.972 25.371 -17.402 1.00 0.00 S ATOM 0 H CYS A 108 16.848 26.160 -15.796 1.00 0.00 H new ATOM 0 HA CYS A 108 15.612 26.691 -18.367 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.920 26.628 -19.172 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.908 27.520 -17.663 1.00 0.00 H new ATOM 0 HG CYS A 108 20.174 25.800 -17.648 1.00 0.00 H new ATOM 1703 N SER A 109 16.107 23.604 -17.569 1.00 0.00 N ATOM 1704 CA SER A 109 15.987 22.172 -17.925 1.00 0.00 C ATOM 1705 C SER A 109 17.015 21.745 -18.995 1.00 0.00 C ATOM 1706 O SER A 109 16.639 21.113 -20.012 1.00 0.00 O ATOM 1707 CB SER A 109 14.548 21.813 -18.325 1.00 0.00 C ATOM 1708 OG SER A 109 13.647 22.145 -17.282 1.00 0.00 O ATOM 1709 OXT SER A 109 18.224 22.005 -18.789 1.00 0.00 O ATOM 0 H SER A 109 16.242 23.737 -16.567 1.00 0.00 H new ATOM 0 HA SER A 109 16.226 21.598 -17.030 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.273 22.346 -19.235 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.481 20.748 -18.547 1.00 0.00 H new ATOM 0 HG SER A 109 13.828 21.581 -16.501 1.00 0.00 H new TER 1715 SER A 109