USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 53:sc= -0.116! USER MOD Set 2.1: A 56 SER OG : rot -163:sc= -2.3! USER MOD Set 2.2: A 85 MET CE :methyl -175:sc= -2.12! (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= -0.0386 (180deg=-0.294) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -17:sc= 1.1 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -119:sc= 0 (180deg=-1.69!) USER MOD Single : A 23 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.17) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0893 F(o=-2.2!,f=-0.089) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 44 ASN : amide:sc= 0.0211 X(o=0.021,f=-0.037) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.164 (180deg=-0.746) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.8 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.54 F(o=-2.1,f=-0.54) USER MOD Single : A 60 MET CE :methyl 148:sc=-0.00874 (180deg=-1.41!) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.51 F(o=-7.6!,f=-1.5) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.347 (180deg=-0.833) USER MOD Single : A 71 THR OG1 : rot 106:sc= 0.958 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 48:sc= -0.205! USER MOD Single : A 87 THR OG1 : rot -179:sc= -1.71 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -6.55! C(o=-6.5!,f=-23!) USER MOD Single : A 100 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.13) USER MOD Single : A 104 SER OG : rot 140:sc= -1.19 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0297 USER MOD Single : A 109 LYS NZ :NH3+ 160:sc= -5.06! (180deg=-6.07!) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.323) USER MOD Single : A 121 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.43) USER MOD Single : A 122 LYS NZ :NH3+ -168:sc= -3.29! (180deg=-3.78!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -15.178 0.420 7.576 1.00 0.00 N ATOM 2 CA ALA A 2 -14.052 0.814 8.470 1.00 0.00 C ATOM 3 C ALA A 2 -13.910 2.338 8.467 1.00 0.00 C ATOM 4 O ALA A 2 -13.506 2.936 9.445 1.00 0.00 O ATOM 5 CB ALA A 2 -12.752 0.181 7.965 1.00 0.00 C ATOM 0 HA ALA A 2 -14.255 0.468 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.929 0.469 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.852 -0.904 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.549 0.527 6.952 1.00 0.00 H new ATOM 11 N ASP A 3 -14.239 2.971 7.374 1.00 0.00 N ATOM 12 CA ASP A 3 -14.122 4.456 7.310 1.00 0.00 C ATOM 13 C ASP A 3 -14.411 4.927 5.885 1.00 0.00 C ATOM 14 O ASP A 3 -13.916 4.375 4.927 1.00 0.00 O ATOM 15 CB ASP A 3 -12.705 4.873 7.706 1.00 0.00 C ATOM 16 CG ASP A 3 -12.724 5.476 9.112 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.340 6.515 9.280 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.124 4.887 9.996 1.00 0.00 O ATOM 0 H ASP A 3 -14.583 2.525 6.524 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.839 4.908 7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.039 4.010 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.316 5.599 6.993 1.00 0.00 H new ATOM 23 N LYS A 4 -15.212 5.946 5.737 1.00 0.00 N ATOM 24 CA LYS A 4 -15.530 6.452 4.373 1.00 0.00 C ATOM 25 C LYS A 4 -14.516 7.520 3.976 1.00 0.00 C ATOM 26 O LYS A 4 -14.815 8.420 3.217 1.00 0.00 O ATOM 27 CB LYS A 4 -16.934 7.053 4.361 1.00 0.00 C ATOM 28 CG LYS A 4 -17.446 7.135 2.920 1.00 0.00 C ATOM 29 CD LYS A 4 -18.203 5.852 2.568 1.00 0.00 C ATOM 30 CE LYS A 4 -19.670 5.997 2.976 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.365 6.903 2.019 1.00 0.00 N ATOM 0 H LYS A 4 -15.660 6.450 6.502 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.485 5.626 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.607 6.442 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.919 8.046 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.101 7.998 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.610 7.276 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.130 5.656 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.755 5.000 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.154 5.020 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.739 6.397 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.385 6.698 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.209 7.892 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.987 6.752 1.062 1.00 0.00 H new ATOM 45 N GLU A 5 -13.319 7.442 4.487 1.00 0.00 N ATOM 46 CA GLU A 5 -12.306 8.471 4.132 1.00 0.00 C ATOM 47 C GLU A 5 -10.928 8.078 4.671 1.00 0.00 C ATOM 48 O GLU A 5 -10.198 8.915 5.163 1.00 0.00 O ATOM 49 CB GLU A 5 -12.718 9.813 4.747 1.00 0.00 C ATOM 50 CG GLU A 5 -12.107 10.959 3.941 1.00 0.00 C ATOM 51 CD GLU A 5 -12.277 12.270 4.712 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.403 12.591 5.054 1.00 0.00 O ATOM 53 OE2 GLU A 5 -11.278 12.930 4.947 1.00 0.00 O ATOM 0 H GLU A 5 -13.001 6.716 5.130 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.251 8.551 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.804 9.901 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.385 9.867 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.050 10.766 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.591 11.032 2.967 1.00 0.00 H new ATOM 60 N LEU A 6 -10.543 6.831 4.578 1.00 0.00 N ATOM 61 CA LEU A 6 -9.201 6.463 5.085 1.00 0.00 C ATOM 62 C LEU A 6 -8.172 6.847 4.017 1.00 0.00 C ATOM 63 O LEU A 6 -8.167 6.314 2.936 1.00 0.00 O ATOM 64 CB LEU A 6 -9.156 4.963 5.382 1.00 0.00 C ATOM 65 CG LEU A 6 -7.787 4.579 5.947 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.539 5.307 7.266 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.753 3.077 6.198 1.00 0.00 C ATOM 0 H LEU A 6 -11.092 6.069 4.180 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.976 6.991 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.938 4.702 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.353 4.398 4.471 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.015 4.860 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.562 5.026 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.567 6.384 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.311 5.032 7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.780 2.797 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.532 2.810 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.923 2.548 5.261 1.00 0.00 H new ATOM 79 N LYS A 7 -7.337 7.808 4.300 1.00 0.00 N ATOM 80 CA LYS A 7 -6.343 8.276 3.289 1.00 0.00 C ATOM 81 C LYS A 7 -5.477 7.130 2.742 1.00 0.00 C ATOM 82 O LYS A 7 -4.667 6.554 3.449 1.00 0.00 O ATOM 83 CB LYS A 7 -5.442 9.323 3.942 1.00 0.00 C ATOM 84 CG LYS A 7 -6.234 10.614 4.158 1.00 0.00 C ATOM 85 CD LYS A 7 -5.952 11.157 5.560 1.00 0.00 C ATOM 86 CE LYS A 7 -6.734 12.455 5.773 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.060 13.276 6.817 1.00 0.00 N ATOM 0 H LYS A 7 -7.299 8.294 5.196 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.892 8.697 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.066 8.951 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.575 9.517 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.956 11.354 3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.300 10.423 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.238 10.420 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.884 11.339 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.794 13.013 4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.757 12.230 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.592 14.158 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.025 12.743 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.092 13.501 6.510 1.00 0.00 H new ATOM 101 N PHE A 8 -5.618 6.831 1.467 1.00 0.00 N ATOM 102 CA PHE A 8 -4.792 5.767 0.833 1.00 0.00 C ATOM 103 C PHE A 8 -3.791 6.429 -0.113 1.00 0.00 C ATOM 104 O PHE A 8 -4.069 7.466 -0.680 1.00 0.00 O ATOM 105 CB PHE A 8 -5.665 4.839 -0.031 1.00 0.00 C ATOM 106 CG PHE A 8 -6.551 3.961 0.816 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.812 4.416 1.190 1.00 0.00 C ATOM 108 CD2 PHE A 8 -6.117 2.694 1.217 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.641 3.612 1.975 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.947 1.885 2.006 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.209 2.347 2.386 1.00 0.00 C ATOM 0 H PHE A 8 -6.279 7.288 0.839 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.303 5.196 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.281 5.438 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.026 4.216 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.150 5.392 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.142 2.338 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.618 3.968 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.611 0.907 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.850 1.728 2.996 1.00 0.00 H new ATOM 121 N LEU A 9 -2.654 5.821 -0.317 1.00 0.00 N ATOM 122 CA LEU A 9 -1.658 6.395 -1.271 1.00 0.00 C ATOM 123 C LEU A 9 -1.428 5.373 -2.387 1.00 0.00 C ATOM 124 O LEU A 9 -0.835 4.335 -2.175 1.00 0.00 O ATOM 125 CB LEU A 9 -0.337 6.690 -0.552 1.00 0.00 C ATOM 126 CG LEU A 9 0.742 7.082 -1.577 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.228 8.202 -2.479 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.991 7.573 -0.848 1.00 0.00 C ATOM 0 H LEU A 9 -2.370 4.952 0.135 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.034 7.331 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.477 7.496 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.015 5.813 0.010 1.00 0.00 H new ATOM 0 HG LEU A 9 0.982 6.207 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.000 8.471 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.662 7.863 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.021 9.073 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.753 7.850 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.739 8.441 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.374 6.779 -0.207 1.00 0.00 H new ATOM 140 N VAL A 10 -1.912 5.650 -3.570 1.00 0.00 N ATOM 141 CA VAL A 10 -1.738 4.676 -4.689 1.00 0.00 C ATOM 142 C VAL A 10 -0.490 5.024 -5.506 1.00 0.00 C ATOM 143 O VAL A 10 -0.367 6.112 -6.025 1.00 0.00 O ATOM 144 CB VAL A 10 -2.973 4.728 -5.593 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.323 3.316 -6.061 1.00 0.00 C ATOM 146 CG2 VAL A 10 -4.156 5.307 -4.810 1.00 0.00 C ATOM 0 H VAL A 10 -2.417 6.503 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.619 3.674 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.762 5.358 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.202 3.353 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.484 2.899 -6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.533 2.688 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.035 5.344 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.365 4.676 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.911 6.314 -4.472 1.00 0.00 H new ATOM 156 N VAL A 11 0.431 4.099 -5.628 1.00 0.00 N ATOM 157 CA VAL A 11 1.664 4.368 -6.416 1.00 0.00 C ATOM 158 C VAL A 11 1.853 3.269 -7.463 1.00 0.00 C ATOM 159 O VAL A 11 2.228 2.157 -7.151 1.00 0.00 O ATOM 160 CB VAL A 11 2.878 4.408 -5.486 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.122 4.830 -6.276 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.629 5.417 -4.363 1.00 0.00 C ATOM 0 H VAL A 11 0.378 3.169 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 11 1.566 5.332 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 11 3.036 3.417 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.984 4.857 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.305 4.114 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.963 5.820 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.494 5.445 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.468 6.406 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.747 5.120 -3.796 1.00 0.00 H new ATOM 172 N ASP A 12 1.596 3.575 -8.705 1.00 0.00 N ATOM 173 CA ASP A 12 1.759 2.553 -9.777 1.00 0.00 C ATOM 174 C ASP A 12 2.197 3.240 -11.073 1.00 0.00 C ATOM 175 O ASP A 12 1.644 4.247 -11.469 1.00 0.00 O ATOM 176 CB ASP A 12 0.428 1.836 -10.005 1.00 0.00 C ATOM 177 CG ASP A 12 -0.576 2.273 -8.936 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.966 3.428 -8.954 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.939 1.443 -8.119 1.00 0.00 O ATOM 0 H ASP A 12 1.280 4.491 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 12 2.515 1.828 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.043 2.069 -10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.572 0.756 -9.964 1.00 0.00 H new ATOM 184 N ASP A 13 3.186 2.706 -11.736 1.00 0.00 N ATOM 185 CA ASP A 13 3.657 3.331 -13.005 1.00 0.00 C ATOM 186 C ASP A 13 2.705 2.960 -14.144 1.00 0.00 C ATOM 187 O ASP A 13 3.118 2.462 -15.172 1.00 0.00 O ATOM 188 CB ASP A 13 5.062 2.825 -13.334 1.00 0.00 C ATOM 189 CG ASP A 13 6.086 3.556 -12.465 1.00 0.00 C ATOM 190 OD1 ASP A 13 6.020 3.410 -11.257 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.920 4.250 -13.024 1.00 0.00 O ATOM 0 H ASP A 13 3.688 1.864 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 13 3.678 4.414 -12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.123 1.751 -13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.281 2.990 -14.389 1.00 0.00 H new ATOM 196 N PHE A 14 1.434 3.203 -13.973 1.00 0.00 N ATOM 197 CA PHE A 14 0.460 2.867 -15.050 1.00 0.00 C ATOM 198 C PHE A 14 -0.675 3.890 -15.045 1.00 0.00 C ATOM 199 O PHE A 14 -1.199 4.246 -14.008 1.00 0.00 O ATOM 200 CB PHE A 14 -0.112 1.470 -14.807 1.00 0.00 C ATOM 201 CG PHE A 14 0.312 0.550 -15.927 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.246 0.696 -17.202 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.265 -0.449 -15.690 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.148 -0.156 -18.241 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.659 -1.302 -16.729 1.00 0.00 C ATOM 206 CZ PHE A 14 1.100 -1.155 -18.004 1.00 0.00 C ATOM 0 H PHE A 14 1.028 3.619 -13.135 1.00 0.00 H new ATOM 0 HA PHE A 14 0.966 2.887 -16.015 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.240 1.083 -13.851 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.200 1.515 -14.751 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.981 1.466 -17.385 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.696 -0.562 -14.706 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.282 -0.043 -19.225 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.393 -2.072 -16.547 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.403 -1.813 -18.805 1.00 0.00 H new ATOM 216 N SER A 15 -1.063 4.364 -16.197 1.00 0.00 N ATOM 217 CA SER A 15 -2.165 5.363 -16.256 1.00 0.00 C ATOM 218 C SER A 15 -3.512 4.638 -16.269 1.00 0.00 C ATOM 219 O SER A 15 -4.530 5.212 -16.600 1.00 0.00 O ATOM 220 CB SER A 15 -2.026 6.201 -17.527 1.00 0.00 C ATOM 221 OG SER A 15 -3.144 7.071 -17.642 1.00 0.00 O ATOM 0 H SER A 15 -0.664 4.102 -17.099 1.00 0.00 H new ATOM 0 HA SER A 15 -2.111 6.014 -15.383 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.103 6.779 -17.496 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.965 5.551 -18.400 1.00 0.00 H new ATOM 0 HG SER A 15 -3.863 6.760 -17.053 1.00 0.00 H new ATOM 227 N THR A 16 -3.523 3.380 -15.911 1.00 0.00 N ATOM 228 CA THR A 16 -4.804 2.616 -15.902 1.00 0.00 C ATOM 229 C THR A 16 -4.827 1.669 -14.701 1.00 0.00 C ATOM 230 O THR A 16 -5.793 0.971 -14.467 1.00 0.00 O ATOM 231 CB THR A 16 -4.930 1.803 -17.196 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.384 0.507 -16.994 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.174 2.506 -18.325 1.00 0.00 C ATOM 0 H THR A 16 -2.700 2.850 -15.625 1.00 0.00 H new ATOM 0 HA THR A 16 -5.638 3.314 -15.831 1.00 0.00 H new ATOM 0 HB THR A 16 -5.982 1.718 -17.468 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.465 -0.015 -17.820 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.267 1.924 -19.242 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.595 3.499 -18.481 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.121 2.596 -18.057 1.00 0.00 H new ATOM 241 N MET A 17 -3.774 1.645 -13.929 1.00 0.00 N ATOM 242 CA MET A 17 -3.748 0.749 -12.740 1.00 0.00 C ATOM 243 C MET A 17 -4.308 1.503 -11.534 1.00 0.00 C ATOM 244 O MET A 17 -4.755 0.913 -10.571 1.00 0.00 O ATOM 245 CB MET A 17 -2.309 0.317 -12.446 1.00 0.00 C ATOM 246 CG MET A 17 -2.237 -0.279 -11.040 1.00 0.00 C ATOM 247 SD MET A 17 -0.779 -1.343 -10.906 1.00 0.00 S ATOM 248 CE MET A 17 -0.844 -1.590 -9.115 1.00 0.00 C ATOM 0 H MET A 17 -2.934 2.206 -14.071 1.00 0.00 H new ATOM 0 HA MET A 17 -4.353 -0.136 -12.939 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.980 -0.417 -13.182 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.637 1.172 -12.526 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.187 0.518 -10.298 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.139 -0.853 -10.831 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.068 -1.201 -8.661 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.706 -1.063 -8.706 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.933 -2.654 -8.897 1.00 0.00 H new ATOM 258 N ARG A 18 -4.289 2.807 -11.583 1.00 0.00 N ATOM 259 CA ARG A 18 -4.823 3.602 -10.441 1.00 0.00 C ATOM 260 C ARG A 18 -6.347 3.576 -10.474 1.00 0.00 C ATOM 261 O ARG A 18 -6.997 3.388 -9.464 1.00 0.00 O ATOM 262 CB ARG A 18 -4.356 5.056 -10.543 1.00 0.00 C ATOM 263 CG ARG A 18 -3.230 5.178 -11.577 1.00 0.00 C ATOM 264 CD ARG A 18 -2.649 6.595 -11.554 1.00 0.00 C ATOM 265 NE ARG A 18 -1.169 6.520 -11.415 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.493 7.574 -11.050 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.825 8.753 -11.502 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.515 7.451 -10.232 1.00 0.00 N ATOM 0 H ARG A 18 -3.927 3.356 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.457 3.167 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.192 5.695 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.006 5.403 -9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.447 4.451 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.612 4.949 -12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.913 7.123 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.075 7.161 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.683 5.644 -11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.614 8.851 -12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.296 9.577 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.775 6.531 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.044 8.275 -9.947 1.00 0.00 H new ATOM 282 N ARG A 19 -6.926 3.777 -11.624 1.00 0.00 N ATOM 283 CA ARG A 19 -8.409 3.777 -11.711 1.00 0.00 C ATOM 284 C ARG A 19 -8.951 2.433 -11.222 1.00 0.00 C ATOM 285 O ARG A 19 -10.102 2.315 -10.851 1.00 0.00 O ATOM 286 CB ARG A 19 -8.838 4.005 -13.161 1.00 0.00 C ATOM 287 CG ARG A 19 -8.511 2.763 -13.995 1.00 0.00 C ATOM 288 CD ARG A 19 -8.579 3.115 -15.482 1.00 0.00 C ATOM 289 NE ARG A 19 -9.963 3.550 -15.825 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.758 2.744 -16.473 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.079 1.590 -15.956 1.00 0.00 N ATOM 292 NH2 ARG A 19 -11.231 3.091 -17.638 1.00 0.00 N ATOM 0 H ARG A 19 -6.437 3.941 -12.504 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.807 4.577 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.907 4.215 -13.206 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.325 4.875 -13.570 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.517 2.394 -13.743 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.215 1.963 -13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.869 3.909 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.297 2.252 -16.085 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.288 4.478 -15.553 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.708 1.318 -15.045 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.701 0.959 -16.462 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.979 3.993 -18.043 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.853 2.460 -18.144 1.00 0.00 H new ATOM 306 N ILE A 20 -8.132 1.420 -11.224 1.00 0.00 N ATOM 307 CA ILE A 20 -8.597 0.081 -10.768 1.00 0.00 C ATOM 308 C ILE A 20 -8.741 0.072 -9.244 1.00 0.00 C ATOM 309 O ILE A 20 -9.785 -0.251 -8.713 1.00 0.00 O ATOM 310 CB ILE A 20 -7.575 -0.979 -11.192 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.912 -1.468 -12.603 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.610 -2.166 -10.221 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.720 -2.237 -13.174 1.00 0.00 C ATOM 0 H ILE A 20 -7.158 1.461 -11.523 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.565 -0.139 -11.219 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.578 -0.539 -11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.793 -2.109 -12.577 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.153 -0.621 -13.245 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.880 -2.913 -10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.370 -1.821 -9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.606 -2.609 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.959 -2.585 -14.179 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.850 -1.582 -13.215 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.500 -3.093 -12.536 1.00 0.00 H new ATOM 325 N VAL A 21 -7.698 0.406 -8.537 1.00 0.00 N ATOM 326 CA VAL A 21 -7.779 0.393 -7.050 1.00 0.00 C ATOM 327 C VAL A 21 -8.737 1.485 -6.561 1.00 0.00 C ATOM 328 O VAL A 21 -9.280 1.404 -5.477 1.00 0.00 O ATOM 329 CB VAL A 21 -6.390 0.618 -6.450 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.963 -0.637 -5.687 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.385 0.889 -7.568 1.00 0.00 C ATOM 0 H VAL A 21 -6.796 0.686 -8.923 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.156 -0.578 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.421 1.472 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.973 -0.482 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.678 -0.839 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.933 -1.486 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.396 1.049 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.353 0.034 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.688 1.778 -8.122 1.00 0.00 H new ATOM 341 N ARG A 22 -8.958 2.503 -7.348 1.00 0.00 N ATOM 342 CA ARG A 22 -9.888 3.587 -6.917 1.00 0.00 C ATOM 343 C ARG A 22 -11.272 2.990 -6.670 1.00 0.00 C ATOM 344 O ARG A 22 -11.862 3.161 -5.621 1.00 0.00 O ATOM 345 CB ARG A 22 -9.996 4.635 -8.027 1.00 0.00 C ATOM 346 CG ARG A 22 -9.272 5.924 -7.624 1.00 0.00 C ATOM 347 CD ARG A 22 -7.761 5.680 -7.582 1.00 0.00 C ATOM 348 NE ARG A 22 -7.085 6.854 -6.961 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.667 8.024 -6.966 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.559 8.316 -6.060 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.354 8.903 -7.878 1.00 0.00 N ATOM 0 H ARG A 22 -8.537 2.631 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.510 4.050 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.565 4.243 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.045 4.849 -8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.502 6.718 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.623 6.259 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.543 4.778 -7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.380 5.519 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.166 6.744 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.804 7.630 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.012 9.230 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.656 8.677 -8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.808 9.817 -7.883 1.00 0.00 H new ATOM 365 N ASN A 23 -11.789 2.287 -7.636 1.00 0.00 N ATOM 366 CA ASN A 23 -13.119 1.663 -7.494 1.00 0.00 C ATOM 367 C ASN A 23 -13.050 0.592 -6.421 1.00 0.00 C ATOM 368 O ASN A 23 -13.790 0.596 -5.460 1.00 0.00 O ATOM 369 CB ASN A 23 -13.444 0.999 -8.816 1.00 0.00 C ATOM 370 CG ASN A 23 -14.889 1.302 -9.218 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.302 2.445 -9.228 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.680 0.320 -9.554 1.00 0.00 N ATOM 0 H ASN A 23 -11.332 2.119 -8.532 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.871 2.404 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.762 1.355 -9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.299 -0.078 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.644 0.512 -9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.334 -0.639 -9.546 1.00 0.00 H new ATOM 379 N LEU A 24 -12.154 -0.329 -6.606 1.00 0.00 N ATOM 380 CA LEU A 24 -11.981 -1.445 -5.635 1.00 0.00 C ATOM 381 C LEU A 24 -12.102 -0.914 -4.202 1.00 0.00 C ATOM 382 O LEU A 24 -12.795 -1.477 -3.380 1.00 0.00 O ATOM 383 CB LEU A 24 -10.590 -2.044 -5.856 1.00 0.00 C ATOM 384 CG LEU A 24 -10.450 -3.423 -5.181 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.797 -4.400 -6.161 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.563 -3.320 -3.935 1.00 0.00 C ATOM 0 H LEU A 24 -11.520 -0.359 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.750 -2.203 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.401 -2.141 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.834 -1.366 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.441 -3.773 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.696 -5.377 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.418 -4.491 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.811 -4.029 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.474 -4.302 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.574 -2.963 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.010 -2.622 -3.227 1.00 0.00 H new ATOM 398 N LEU A 25 -11.447 0.174 -3.897 1.00 0.00 N ATOM 399 CA LEU A 25 -11.551 0.737 -2.519 1.00 0.00 C ATOM 400 C LEU A 25 -12.955 1.310 -2.333 1.00 0.00 C ATOM 401 O LEU A 25 -13.598 1.094 -1.326 1.00 0.00 O ATOM 402 CB LEU A 25 -10.515 1.849 -2.331 1.00 0.00 C ATOM 403 CG LEU A 25 -9.185 1.246 -1.864 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.041 2.185 -2.253 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.188 1.064 -0.340 1.00 0.00 C ATOM 0 H LEU A 25 -10.848 0.695 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.364 -0.046 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.372 2.387 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.874 2.573 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.052 0.274 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.093 1.760 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.025 2.310 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.189 3.155 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.237 0.635 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.328 2.032 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.001 0.396 -0.055 1.00 0.00 H new ATOM 417 N LYS A 26 -13.434 2.037 -3.304 1.00 0.00 N ATOM 418 CA LYS A 26 -14.792 2.622 -3.195 1.00 0.00 C ATOM 419 C LYS A 26 -15.807 1.497 -2.966 1.00 0.00 C ATOM 420 O LYS A 26 -16.823 1.687 -2.327 1.00 0.00 O ATOM 421 CB LYS A 26 -15.132 3.368 -4.490 1.00 0.00 C ATOM 422 CG LYS A 26 -16.344 4.276 -4.265 1.00 0.00 C ATOM 423 CD LYS A 26 -16.519 5.202 -5.470 1.00 0.00 C ATOM 424 CE LYS A 26 -16.746 4.366 -6.731 1.00 0.00 C ATOM 425 NZ LYS A 26 -17.436 5.195 -7.759 1.00 0.00 N ATOM 0 H LYS A 26 -12.939 2.250 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.827 3.320 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.277 3.962 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.344 2.654 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.241 3.674 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.207 4.864 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.364 5.871 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.635 5.829 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.793 4.006 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.346 3.487 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.591 4.627 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.352 5.517 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.847 6.020 -7.992 1.00 0.00 H new ATOM 439 N GLU A 27 -15.540 0.324 -3.481 1.00 0.00 N ATOM 440 CA GLU A 27 -16.489 -0.802 -3.289 1.00 0.00 C ATOM 441 C GLU A 27 -16.728 -1.013 -1.797 1.00 0.00 C ATOM 442 O GLU A 27 -17.837 -1.246 -1.360 1.00 0.00 O ATOM 443 CB GLU A 27 -15.906 -2.078 -3.899 1.00 0.00 C ATOM 444 CG GLU A 27 -16.896 -3.230 -3.716 1.00 0.00 C ATOM 445 CD GLU A 27 -16.330 -4.235 -2.711 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.907 -3.807 -1.650 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.328 -5.416 -3.020 1.00 0.00 O ATOM 0 H GLU A 27 -14.706 0.102 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.433 -0.568 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.700 -1.926 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.957 -2.321 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.854 -2.848 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.081 -3.720 -4.672 1.00 0.00 H new ATOM 454 N LEU A 28 -15.692 -0.933 -1.010 1.00 0.00 N ATOM 455 CA LEU A 28 -15.856 -1.127 0.457 1.00 0.00 C ATOM 456 C LEU A 28 -16.458 0.135 1.068 1.00 0.00 C ATOM 457 O LEU A 28 -17.493 0.098 1.703 1.00 0.00 O ATOM 458 CB LEU A 28 -14.491 -1.402 1.098 1.00 0.00 C ATOM 459 CG LEU A 28 -14.682 -2.050 2.477 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.279 -3.456 2.332 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.327 -2.149 3.178 1.00 0.00 C ATOM 0 H LEU A 28 -14.739 -0.742 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.517 -1.975 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.904 -2.059 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.932 -0.471 1.198 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.365 -1.436 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.408 -3.900 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.247 -3.391 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.607 -4.077 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.457 -2.608 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.651 -2.758 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.906 -1.151 3.298 1.00 0.00 H new ATOM 473 N GLY A 29 -15.815 1.253 0.884 1.00 0.00 N ATOM 474 CA GLY A 29 -16.342 2.511 1.454 1.00 0.00 C ATOM 475 C GLY A 29 -15.189 3.478 1.722 1.00 0.00 C ATOM 476 O GLY A 29 -14.760 3.642 2.845 1.00 0.00 O ATOM 0 H GLY A 29 -14.944 1.345 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.056 2.963 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.879 2.305 2.380 1.00 0.00 H new ATOM 480 N PHE A 30 -14.682 4.113 0.702 1.00 0.00 N ATOM 481 CA PHE A 30 -13.563 5.080 0.905 1.00 0.00 C ATOM 482 C PHE A 30 -13.639 6.173 -0.164 1.00 0.00 C ATOM 483 O PHE A 30 -14.062 5.932 -1.276 1.00 0.00 O ATOM 484 CB PHE A 30 -12.222 4.354 0.785 1.00 0.00 C ATOM 485 CG PHE A 30 -12.074 3.354 1.908 1.00 0.00 C ATOM 486 CD1 PHE A 30 -12.019 3.792 3.239 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.982 1.987 1.621 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.876 2.863 4.276 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.838 1.060 2.658 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.786 1.497 3.986 1.00 0.00 C ATOM 0 H PHE A 30 -14.993 4.005 -0.264 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.647 5.524 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.159 3.845 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.405 5.074 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.087 4.846 3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.022 1.648 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.835 3.201 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.767 0.006 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.676 0.781 4.787 1.00 0.00 H new ATOM 500 N ASN A 31 -13.231 7.375 0.155 1.00 0.00 N ATOM 501 CA ASN A 31 -13.287 8.464 -0.862 1.00 0.00 C ATOM 502 C ASN A 31 -12.173 9.492 -0.616 1.00 0.00 C ATOM 503 O ASN A 31 -12.437 10.668 -0.467 1.00 0.00 O ATOM 504 CB ASN A 31 -14.646 9.163 -0.778 1.00 0.00 C ATOM 505 CG ASN A 31 -14.941 9.868 -2.102 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.959 10.121 -2.925 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -16.075 10.191 -2.394 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.865 7.646 1.068 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.149 8.028 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.428 8.436 -0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.645 9.885 0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.843 9.994 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.259 10.659 -3.281 1.00 0.00 H new ATOM 514 N ASN A 32 -10.932 9.074 -0.571 1.00 0.00 N ATOM 515 CA ASN A 32 -9.834 10.063 -0.335 1.00 0.00 C ATOM 516 C ASN A 32 -8.463 9.388 -0.475 1.00 0.00 C ATOM 517 O ASN A 32 -8.026 8.665 0.399 1.00 0.00 O ATOM 518 CB ASN A 32 -9.965 10.644 1.075 1.00 0.00 C ATOM 519 CG ASN A 32 -9.776 12.160 1.023 1.00 0.00 C ATOM 520 OD1 ASN A 32 -10.727 12.898 0.859 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.578 12.661 1.159 1.00 0.00 N ATOM 0 H ASN A 32 -10.634 8.105 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.916 10.858 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.944 10.403 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.221 10.197 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.441 13.671 1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.779 12.042 1.297 1.00 0.00 H new ATOM 528 N VAL A 33 -7.771 9.634 -1.560 1.00 0.00 N ATOM 529 CA VAL A 33 -6.421 9.020 -1.746 1.00 0.00 C ATOM 530 C VAL A 33 -5.527 9.986 -2.524 1.00 0.00 C ATOM 531 O VAL A 33 -5.951 11.057 -2.912 1.00 0.00 O ATOM 532 CB VAL A 33 -6.543 7.709 -2.536 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.883 7.044 -2.230 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.457 7.990 -4.042 1.00 0.00 C ATOM 0 H VAL A 33 -8.083 10.233 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.988 8.814 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.727 7.048 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.965 6.114 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.947 6.829 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.695 7.713 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.545 7.053 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.266 8.660 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.499 8.457 -4.271 1.00 0.00 H new ATOM 544 N GLU A 34 -4.300 9.601 -2.778 1.00 0.00 N ATOM 545 CA GLU A 34 -3.385 10.477 -3.559 1.00 0.00 C ATOM 546 C GLU A 34 -2.671 9.620 -4.599 1.00 0.00 C ATOM 547 O GLU A 34 -3.061 8.493 -4.851 1.00 0.00 O ATOM 548 CB GLU A 34 -2.378 11.141 -2.628 1.00 0.00 C ATOM 549 CG GLU A 34 -3.058 12.308 -1.908 1.00 0.00 C ATOM 550 CD GLU A 34 -2.733 13.616 -2.631 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.559 13.910 -2.782 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.664 14.302 -3.020 1.00 0.00 O ATOM 0 H GLU A 34 -3.896 8.715 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.951 11.264 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.003 10.419 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.519 11.498 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.137 12.153 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.718 12.358 -0.874 1.00 0.00 H new ATOM 559 N GLU A 35 -1.650 10.132 -5.222 1.00 0.00 N ATOM 560 CA GLU A 35 -0.959 9.324 -6.265 1.00 0.00 C ATOM 561 C GLU A 35 0.524 9.682 -6.354 1.00 0.00 C ATOM 562 O GLU A 35 0.930 10.798 -6.097 1.00 0.00 O ATOM 563 CB GLU A 35 -1.616 9.589 -7.623 1.00 0.00 C ATOM 564 CG GLU A 35 -3.056 9.071 -7.611 1.00 0.00 C ATOM 565 CD GLU A 35 -3.607 9.062 -9.038 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.092 9.806 -9.856 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.534 8.310 -9.289 1.00 0.00 O ATOM 0 H GLU A 35 -1.266 11.063 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.045 8.272 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.606 10.657 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.049 9.097 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.089 8.066 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.676 9.703 -6.975 1.00 0.00 H new ATOM 574 N ALA A 36 1.330 8.730 -6.741 1.00 0.00 N ATOM 575 CA ALA A 36 2.792 8.980 -6.884 1.00 0.00 C ATOM 576 C ALA A 36 3.296 8.231 -8.119 1.00 0.00 C ATOM 577 O ALA A 36 2.516 7.739 -8.908 1.00 0.00 O ATOM 578 CB ALA A 36 3.526 8.483 -5.638 1.00 0.00 C ATOM 0 H ALA A 36 1.034 7.780 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 36 2.979 10.048 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.595 8.668 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.154 9.013 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.353 7.414 -5.516 1.00 0.00 H new ATOM 584 N GLU A 37 4.587 8.145 -8.299 1.00 0.00 N ATOM 585 CA GLU A 37 5.128 7.429 -9.494 1.00 0.00 C ATOM 586 C GLU A 37 6.356 6.601 -9.104 1.00 0.00 C ATOM 587 O GLU A 37 7.047 6.075 -9.952 1.00 0.00 O ATOM 588 CB GLU A 37 5.526 8.447 -10.565 1.00 0.00 C ATOM 589 CG GLU A 37 4.549 9.624 -10.539 1.00 0.00 C ATOM 590 CD GLU A 37 4.754 10.484 -11.788 1.00 0.00 C ATOM 591 OE1 GLU A 37 4.283 10.087 -12.842 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.377 11.527 -11.670 1.00 0.00 O ATOM 0 H GLU A 37 5.290 8.538 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 37 4.357 6.764 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.542 8.800 -10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.520 7.977 -11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.523 9.258 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.708 10.223 -9.642 1.00 0.00 H new ATOM 599 N ASP A 38 6.636 6.477 -7.835 1.00 0.00 N ATOM 600 CA ASP A 38 7.821 5.678 -7.406 1.00 0.00 C ATOM 601 C ASP A 38 8.043 5.887 -5.909 1.00 0.00 C ATOM 602 O ASP A 38 7.390 6.701 -5.286 1.00 0.00 O ATOM 603 CB ASP A 38 9.067 6.138 -8.175 1.00 0.00 C ATOM 604 CG ASP A 38 9.446 5.113 -9.255 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.591 4.338 -9.652 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.592 5.126 -9.670 1.00 0.00 O ATOM 0 H ASP A 38 6.096 6.894 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 38 7.644 4.623 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.879 7.107 -8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.899 6.270 -7.484 1.00 0.00 H new ATOM 611 N GLY A 39 8.956 5.164 -5.322 1.00 0.00 N ATOM 612 CA GLY A 39 9.197 5.337 -3.864 1.00 0.00 C ATOM 613 C GLY A 39 9.786 6.721 -3.609 1.00 0.00 C ATOM 614 O GLY A 39 9.633 7.278 -2.544 1.00 0.00 O ATOM 0 H GLY A 39 9.540 4.467 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.264 5.220 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.879 4.567 -3.503 1.00 0.00 H new ATOM 618 N VAL A 40 10.442 7.296 -4.578 1.00 0.00 N ATOM 619 CA VAL A 40 11.009 8.656 -4.371 1.00 0.00 C ATOM 620 C VAL A 40 9.859 9.661 -4.387 1.00 0.00 C ATOM 621 O VAL A 40 9.842 10.622 -3.639 1.00 0.00 O ATOM 622 CB VAL A 40 12.001 8.987 -5.489 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.481 8.438 -6.818 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.163 10.506 -5.593 1.00 0.00 C ATOM 0 H VAL A 40 10.609 6.886 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 40 11.536 8.699 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 40 12.965 8.532 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.189 8.675 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.367 7.356 -6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.516 8.890 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.869 10.743 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.198 10.960 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.537 10.898 -4.647 1.00 0.00 H new ATOM 634 N ASP A 41 8.886 9.431 -5.227 1.00 0.00 N ATOM 635 CA ASP A 41 7.723 10.351 -5.296 1.00 0.00 C ATOM 636 C ASP A 41 6.841 10.112 -4.078 1.00 0.00 C ATOM 637 O ASP A 41 6.314 11.032 -3.484 1.00 0.00 O ATOM 638 CB ASP A 41 6.929 10.042 -6.561 1.00 0.00 C ATOM 639 CG ASP A 41 6.110 11.268 -6.970 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.349 11.747 -6.146 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.258 11.705 -8.099 1.00 0.00 O ATOM 0 H ASP A 41 8.850 8.640 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 41 8.058 11.388 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.606 9.760 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.268 9.193 -6.388 1.00 0.00 H new ATOM 646 N ALA A 42 6.678 8.875 -3.703 1.00 0.00 N ATOM 647 CA ALA A 42 5.833 8.564 -2.523 1.00 0.00 C ATOM 648 C ALA A 42 6.591 8.916 -1.244 1.00 0.00 C ATOM 649 O ALA A 42 6.013 9.359 -0.281 1.00 0.00 O ATOM 650 CB ALA A 42 5.489 7.075 -2.512 1.00 0.00 C ATOM 0 H ALA A 42 7.095 8.066 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 42 4.914 9.148 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.869 6.851 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.945 6.820 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.407 6.490 -2.462 1.00 0.00 H new ATOM 656 N LEU A 43 7.882 8.723 -1.227 1.00 0.00 N ATOM 657 CA LEU A 43 8.664 9.054 0.000 1.00 0.00 C ATOM 658 C LEU A 43 8.472 10.532 0.334 1.00 0.00 C ATOM 659 O LEU A 43 8.121 10.889 1.441 1.00 0.00 O ATOM 660 CB LEU A 43 10.152 8.774 -0.237 1.00 0.00 C ATOM 661 CG LEU A 43 10.969 9.266 0.961 1.00 0.00 C ATOM 662 CD1 LEU A 43 12.006 8.207 1.338 1.00 0.00 C ATOM 663 CD2 LEU A 43 11.685 10.569 0.596 1.00 0.00 C ATOM 0 H LEU A 43 8.427 8.352 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 43 8.313 8.439 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.312 7.706 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.485 9.274 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 43 10.302 9.443 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.589 8.556 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.499 7.278 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.671 8.031 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.266 10.917 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.352 10.394 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.948 11.326 0.326 1.00 0.00 H new ATOM 675 N ASN A 44 8.706 11.394 -0.615 1.00 0.00 N ATOM 676 CA ASN A 44 8.542 12.851 -0.352 1.00 0.00 C ATOM 677 C ASN A 44 7.085 13.153 0.010 1.00 0.00 C ATOM 678 O ASN A 44 6.799 14.067 0.757 1.00 0.00 O ATOM 679 CB ASN A 44 8.928 13.637 -1.606 1.00 0.00 C ATOM 680 CG ASN A 44 10.433 13.913 -1.595 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.917 14.673 -0.780 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.199 13.322 -2.472 1.00 0.00 N ATOM 0 H ASN A 44 9.003 11.153 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 44 9.185 13.143 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.658 13.073 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.376 14.576 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.204 13.498 -2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.793 12.684 -3.156 1.00 0.00 H new ATOM 689 N LYS A 45 6.163 12.400 -0.524 1.00 0.00 N ATOM 690 CA LYS A 45 4.724 12.653 -0.220 1.00 0.00 C ATOM 691 C LYS A 45 4.290 11.848 1.013 1.00 0.00 C ATOM 692 O LYS A 45 3.293 12.151 1.634 1.00 0.00 O ATOM 693 CB LYS A 45 3.868 12.235 -1.426 1.00 0.00 C ATOM 694 CG LYS A 45 2.972 13.398 -1.881 1.00 0.00 C ATOM 695 CD LYS A 45 3.800 14.429 -2.657 1.00 0.00 C ATOM 696 CE LYS A 45 2.869 15.486 -3.252 1.00 0.00 C ATOM 697 NZ LYS A 45 1.899 15.936 -2.213 1.00 0.00 N ATOM 0 H LYS A 45 6.342 11.621 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 45 4.587 13.715 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.514 11.923 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.252 11.376 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.165 13.021 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.508 13.870 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.527 14.900 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.363 13.937 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.449 16.334 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.336 15.075 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.529 16.874 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.113 15.258 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.378 15.991 -1.291 1.00 0.00 H new ATOM 711 N LEU A 46 5.024 10.832 1.378 1.00 0.00 N ATOM 712 CA LEU A 46 4.631 10.028 2.574 1.00 0.00 C ATOM 713 C LEU A 46 4.633 10.942 3.796 1.00 0.00 C ATOM 714 O LEU A 46 3.837 10.790 4.701 1.00 0.00 O ATOM 715 CB LEU A 46 5.628 8.876 2.777 1.00 0.00 C ATOM 716 CG LEU A 46 4.911 7.511 2.767 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.936 7.413 3.941 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.129 7.318 1.463 1.00 0.00 C ATOM 0 H LEU A 46 5.873 10.524 0.905 1.00 0.00 H new ATOM 0 HA LEU A 46 3.636 9.606 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.381 8.900 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.152 9.008 3.724 1.00 0.00 H new ATOM 0 HG LEU A 46 5.672 6.736 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.438 6.444 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.483 7.520 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.192 8.205 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.631 6.348 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.384 8.107 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.815 7.361 0.617 1.00 0.00 H new ATOM 730 N GLN A 47 5.510 11.907 3.819 1.00 0.00 N ATOM 731 CA GLN A 47 5.549 12.848 4.970 1.00 0.00 C ATOM 732 C GLN A 47 4.512 13.947 4.732 1.00 0.00 C ATOM 733 O GLN A 47 4.346 14.845 5.533 1.00 0.00 O ATOM 734 CB GLN A 47 6.943 13.472 5.079 1.00 0.00 C ATOM 735 CG GLN A 47 7.948 12.406 5.521 1.00 0.00 C ATOM 736 CD GLN A 47 8.443 12.724 6.933 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.984 12.143 7.897 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.368 13.630 7.098 1.00 0.00 N ATOM 0 H GLN A 47 6.201 12.084 3.090 1.00 0.00 H new ATOM 0 HA GLN A 47 5.327 12.316 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.241 13.891 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.930 14.294 5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.482 11.421 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.789 12.374 4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.754 14.118 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.705 13.850 8.035 1.00 0.00 H new ATOM 747 N ALA A 48 3.817 13.876 3.627 1.00 0.00 N ATOM 748 CA ALA A 48 2.789 14.905 3.315 1.00 0.00 C ATOM 749 C ALA A 48 1.940 15.172 4.556 1.00 0.00 C ATOM 750 O ALA A 48 2.062 16.203 5.187 1.00 0.00 O ATOM 751 CB ALA A 48 1.891 14.406 2.183 1.00 0.00 C ATOM 0 H ALA A 48 3.920 13.144 2.925 1.00 0.00 H new ATOM 0 HA ALA A 48 3.283 15.826 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.138 15.161 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.495 14.217 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.398 13.483 2.489 1.00 0.00 H new ATOM 757 N GLY A 49 1.083 14.247 4.912 1.00 0.00 N ATOM 758 CA GLY A 49 0.225 14.446 6.118 1.00 0.00 C ATOM 759 C GLY A 49 0.260 13.182 6.970 1.00 0.00 C ATOM 760 O GLY A 49 1.057 13.052 7.879 1.00 0.00 O ATOM 0 H GLY A 49 0.942 13.365 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.581 15.299 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.799 14.669 5.818 1.00 0.00 H new ATOM 764 N GLY A 50 -0.595 12.247 6.681 1.00 0.00 N ATOM 765 CA GLY A 50 -0.615 10.986 7.465 1.00 0.00 C ATOM 766 C GLY A 50 -1.428 9.944 6.707 1.00 0.00 C ATOM 767 O GLY A 50 -2.535 9.612 7.080 1.00 0.00 O ATOM 0 H GLY A 50 -1.285 12.302 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.401 10.627 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.051 11.161 8.449 1.00 0.00 H new ATOM 771 N TYR A 51 -0.889 9.425 5.641 1.00 0.00 N ATOM 772 CA TYR A 51 -1.632 8.406 4.861 1.00 0.00 C ATOM 773 C TYR A 51 -2.047 7.277 5.789 1.00 0.00 C ATOM 774 O TYR A 51 -1.273 6.388 6.084 1.00 0.00 O ATOM 775 CB TYR A 51 -0.737 7.848 3.758 1.00 0.00 C ATOM 776 CG TYR A 51 -0.690 8.823 2.611 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.853 9.117 1.890 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.516 9.444 2.277 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.806 10.035 0.835 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.565 10.357 1.222 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.594 10.654 0.501 1.00 0.00 C ATOM 782 OH TYR A 51 -0.538 11.561 -0.536 1.00 0.00 O ATOM 0 H TYR A 51 0.034 9.664 5.278 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.514 8.863 4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.268 7.674 4.143 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.119 6.886 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.785 8.636 2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.412 9.217 2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.703 10.266 0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.499 10.834 0.963 1.00 0.00 H new ATOM 0 HH TYR A 51 0.379 11.894 -0.630 1.00 0.00 H new ATOM 792 N GLY A 52 -3.263 7.294 6.247 1.00 0.00 N ATOM 793 CA GLY A 52 -3.722 6.208 7.149 1.00 0.00 C ATOM 794 C GLY A 52 -3.589 4.878 6.420 1.00 0.00 C ATOM 795 O GLY A 52 -3.936 3.841 6.939 1.00 0.00 O ATOM 0 H GLY A 52 -3.958 8.011 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.127 6.199 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.758 6.375 7.444 1.00 0.00 H new ATOM 799 N PHE A 53 -3.102 4.898 5.209 1.00 0.00 N ATOM 800 CA PHE A 53 -2.961 3.629 4.457 1.00 0.00 C ATOM 801 C PHE A 53 -2.130 3.863 3.187 1.00 0.00 C ATOM 802 O PHE A 53 -2.244 4.887 2.544 1.00 0.00 O ATOM 803 CB PHE A 53 -4.350 3.166 4.061 1.00 0.00 C ATOM 804 CG PHE A 53 -4.531 1.697 4.349 1.00 0.00 C ATOM 805 CD1 PHE A 53 -5.008 1.281 5.596 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.261 0.754 3.356 1.00 0.00 C ATOM 807 CE1 PHE A 53 -5.207 -0.073 5.850 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.466 -0.603 3.605 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.940 -1.021 4.856 1.00 0.00 C ATOM 0 H PHE A 53 -2.798 5.736 4.714 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.462 2.882 5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.098 3.742 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.512 3.355 3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.222 2.011 6.363 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.893 1.076 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.568 -0.393 6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.260 -1.331 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.099 -2.071 5.052 1.00 0.00 H new ATOM 819 N VAL A 54 -1.302 2.920 2.815 1.00 0.00 N ATOM 820 CA VAL A 54 -0.485 3.094 1.570 1.00 0.00 C ATOM 821 C VAL A 54 -0.551 1.818 0.732 1.00 0.00 C ATOM 822 O VAL A 54 -0.606 0.720 1.251 1.00 0.00 O ATOM 823 CB VAL A 54 0.975 3.384 1.920 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.732 3.834 0.665 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.054 4.490 2.977 1.00 0.00 C ATOM 0 H VAL A 54 -1.155 2.042 3.314 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.890 3.934 1.006 1.00 0.00 H new ATOM 0 HB VAL A 54 1.426 2.474 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.771 4.039 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.692 3.045 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.271 4.738 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.098 4.688 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.593 5.398 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.527 4.172 3.877 1.00 0.00 H new ATOM 835 N ILE A 55 -0.538 1.966 -0.564 1.00 0.00 N ATOM 836 CA ILE A 55 -0.590 0.786 -1.473 1.00 0.00 C ATOM 837 C ILE A 55 0.507 0.958 -2.534 1.00 0.00 C ATOM 838 O ILE A 55 0.263 1.484 -3.606 1.00 0.00 O ATOM 839 CB ILE A 55 -1.958 0.747 -2.160 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.058 0.577 -1.111 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.010 -0.422 -3.143 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.420 0.866 -1.748 1.00 0.00 C ATOM 0 H ILE A 55 -0.493 2.868 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.438 -0.138 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.112 1.681 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.040 -0.437 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.885 1.254 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.985 -0.445 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.232 -0.299 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.850 -1.357 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.204 0.745 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.435 1.888 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.592 0.171 -2.570 1.00 0.00 H new ATOM 854 N SER A 56 1.716 0.550 -2.233 1.00 0.00 N ATOM 855 CA SER A 56 2.836 0.719 -3.213 1.00 0.00 C ATOM 856 C SER A 56 3.173 -0.615 -3.885 1.00 0.00 C ATOM 857 O SER A 56 3.127 -1.663 -3.273 1.00 0.00 O ATOM 858 CB SER A 56 4.071 1.242 -2.480 1.00 0.00 C ATOM 859 OG SER A 56 4.191 0.580 -1.229 1.00 0.00 O ATOM 0 H SER A 56 1.976 0.107 -1.352 1.00 0.00 H new ATOM 0 HA SER A 56 2.526 1.428 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.964 1.072 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.989 2.318 -2.328 1.00 0.00 H new ATOM 0 HG SER A 56 4.800 1.084 -0.650 1.00 0.00 H new ATOM 865 N ASP A 57 3.516 -0.573 -5.146 1.00 0.00 N ATOM 866 CA ASP A 57 3.859 -1.824 -5.885 1.00 0.00 C ATOM 867 C ASP A 57 5.060 -2.519 -5.231 1.00 0.00 C ATOM 868 O ASP A 57 5.032 -2.864 -4.067 1.00 0.00 O ATOM 869 CB ASP A 57 4.199 -1.472 -7.337 1.00 0.00 C ATOM 870 CG ASP A 57 5.240 -0.350 -7.366 1.00 0.00 C ATOM 871 OD1 ASP A 57 6.159 -0.400 -6.564 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.100 0.540 -8.188 1.00 0.00 O ATOM 0 H ASP A 57 3.574 0.282 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 57 3.005 -2.501 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.583 -2.351 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.299 -1.160 -7.866 1.00 0.00 H new ATOM 877 N TRP A 58 6.110 -2.741 -5.978 1.00 0.00 N ATOM 878 CA TRP A 58 7.305 -3.430 -5.409 1.00 0.00 C ATOM 879 C TRP A 58 8.532 -3.093 -6.255 1.00 0.00 C ATOM 880 O TRP A 58 9.352 -2.277 -5.882 1.00 0.00 O ATOM 881 CB TRP A 58 7.066 -4.941 -5.442 1.00 0.00 C ATOM 882 CG TRP A 58 8.245 -5.663 -4.868 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.106 -6.430 -5.576 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.698 -5.709 -3.486 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.059 -6.943 -4.715 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.851 -6.526 -3.415 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.226 -5.123 -2.299 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.510 -6.756 -2.205 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.886 -5.353 -1.082 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.025 -6.166 -1.035 1.00 0.00 C ATOM 0 H TRP A 58 6.191 -2.474 -6.959 1.00 0.00 H new ATOM 0 HA TRP A 58 7.470 -3.103 -4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.168 -5.187 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.895 -5.267 -6.468 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.057 -6.612 -6.639 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.822 -7.555 -5.005 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.350 -4.492 -2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.387 -7.385 -2.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.513 -4.900 -0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.528 -6.337 -0.095 1.00 0.00 H new ATOM 901 N ASN A 59 8.661 -3.712 -7.397 1.00 0.00 N ATOM 902 CA ASN A 59 9.829 -3.426 -8.273 1.00 0.00 C ATOM 903 C ASN A 59 9.483 -2.264 -9.204 1.00 0.00 C ATOM 904 O ASN A 59 8.523 -2.318 -9.945 1.00 0.00 O ATOM 905 CB ASN A 59 10.163 -4.668 -9.103 1.00 0.00 C ATOM 906 CG ASN A 59 9.027 -4.947 -10.088 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.919 -5.485 -9.653 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 9.147 -4.676 -11.266 1.00 0.00 N flip ATOM 0 H ASN A 59 8.006 -4.404 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 59 10.692 -3.161 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.097 -4.516 -9.643 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.309 -5.527 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.012 -4.256 -11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.383 -4.869 -11.914 1.00 0.00 H new ATOM 915 N MET A 60 10.258 -1.215 -9.171 1.00 0.00 N ATOM 916 CA MET A 60 9.977 -0.046 -10.052 1.00 0.00 C ATOM 917 C MET A 60 11.015 1.066 -9.817 1.00 0.00 C ATOM 918 O MET A 60 11.589 1.554 -10.770 1.00 0.00 O ATOM 919 CB MET A 60 8.563 0.492 -9.791 1.00 0.00 C ATOM 920 CG MET A 60 7.714 0.353 -11.058 1.00 0.00 C ATOM 921 SD MET A 60 8.358 1.453 -12.342 1.00 0.00 S ATOM 922 CE MET A 60 7.641 0.586 -13.758 1.00 0.00 C ATOM 0 H MET A 60 11.076 -1.117 -8.570 1.00 0.00 H new ATOM 0 HA MET A 60 10.043 -0.374 -11.089 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.101 -0.057 -8.970 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.612 1.538 -9.488 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.730 -0.679 -11.407 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.675 0.600 -10.841 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.404 1.304 -14.543 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.356 -0.144 -14.138 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.730 0.074 -13.448 1.00 0.00 H new ATOM 932 N PRO A 61 11.245 1.455 -8.572 1.00 0.00 N ATOM 933 CA PRO A 61 12.226 2.519 -8.283 1.00 0.00 C ATOM 934 C PRO A 61 13.630 2.063 -8.689 1.00 0.00 C ATOM 935 O PRO A 61 13.808 1.015 -9.278 1.00 0.00 O ATOM 936 CB PRO A 61 12.145 2.739 -6.768 1.00 0.00 C ATOM 937 CG PRO A 61 11.085 1.761 -6.206 1.00 0.00 C ATOM 938 CD PRO A 61 10.576 0.898 -7.370 1.00 0.00 C ATOM 0 HA PRO A 61 12.017 3.435 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.115 2.560 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.870 3.770 -6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.519 1.134 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.262 2.311 -5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.831 -0.152 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.491 0.953 -7.459 1.00 0.00 H new ATOM 946 N ASN A 62 14.630 2.843 -8.381 1.00 0.00 N ATOM 947 CA ASN A 62 16.021 2.456 -8.752 1.00 0.00 C ATOM 948 C ASN A 62 16.313 1.043 -8.241 1.00 0.00 C ATOM 949 O ASN A 62 17.283 0.423 -8.629 1.00 0.00 O ATOM 950 CB ASN A 62 17.010 3.440 -8.124 1.00 0.00 C ATOM 951 CG ASN A 62 16.908 3.369 -6.599 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.853 2.832 -6.051 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 17.799 3.809 -5.899 1.00 0.00 N flip ATOM 0 H ASN A 62 14.544 3.732 -7.888 1.00 0.00 H new ATOM 0 HA ASN A 62 16.126 2.478 -9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.025 3.203 -8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.797 4.453 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.624 4.229 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.722 3.758 -4.883 1.00 0.00 H new ATOM 960 N MET A 63 15.484 0.530 -7.374 1.00 0.00 N ATOM 961 CA MET A 63 15.719 -0.841 -6.839 1.00 0.00 C ATOM 962 C MET A 63 14.376 -1.518 -6.559 1.00 0.00 C ATOM 963 O MET A 63 13.837 -2.221 -7.390 1.00 0.00 O ATOM 964 CB MET A 63 16.523 -0.751 -5.540 1.00 0.00 C ATOM 965 CG MET A 63 18.006 -0.975 -5.838 1.00 0.00 C ATOM 966 SD MET A 63 18.273 -2.705 -6.297 1.00 0.00 S ATOM 967 CE MET A 63 20.055 -2.588 -6.589 1.00 0.00 C ATOM 0 H MET A 63 14.654 1.001 -7.013 1.00 0.00 H new ATOM 0 HA MET A 63 16.275 -1.425 -7.572 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.378 0.225 -5.078 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.168 -1.496 -4.828 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.329 -0.319 -6.646 1.00 0.00 H new ATOM 0 HG3 MET A 63 18.606 -0.723 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.439 -3.563 -6.890 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.247 -1.863 -7.380 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.553 -2.268 -5.674 1.00 0.00 H new ATOM 977 N ASP A 64 13.831 -1.309 -5.392 1.00 0.00 N ATOM 978 CA ASP A 64 12.524 -1.939 -5.057 1.00 0.00 C ATOM 979 C ASP A 64 11.800 -1.076 -4.024 1.00 0.00 C ATOM 980 O ASP A 64 12.312 -0.070 -3.576 1.00 0.00 O ATOM 981 CB ASP A 64 12.762 -3.335 -4.479 1.00 0.00 C ATOM 982 CG ASP A 64 14.239 -3.704 -4.627 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.628 -4.083 -5.719 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.956 -3.603 -3.645 1.00 0.00 O ATOM 0 H ASP A 64 14.235 -0.729 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 64 11.916 -2.021 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.474 -3.359 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.140 -4.065 -4.997 1.00 0.00 H new ATOM 989 N GLY A 65 10.612 -1.455 -3.643 1.00 0.00 N ATOM 990 CA GLY A 65 9.866 -0.645 -2.640 1.00 0.00 C ATOM 991 C GLY A 65 10.274 -1.072 -1.228 1.00 0.00 C ATOM 992 O GLY A 65 9.929 -0.434 -0.257 1.00 0.00 O ATOM 0 H GLY A 65 10.127 -2.286 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.076 0.415 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.793 -0.779 -2.775 1.00 0.00 H new ATOM 996 N LEU A 66 11.010 -2.141 -1.095 1.00 0.00 N ATOM 997 CA LEU A 66 11.423 -2.566 0.272 1.00 0.00 C ATOM 998 C LEU A 66 12.033 -1.361 0.983 1.00 0.00 C ATOM 999 O LEU A 66 12.020 -1.265 2.193 1.00 0.00 O ATOM 1000 CB LEU A 66 12.455 -3.697 0.183 1.00 0.00 C ATOM 1001 CG LEU A 66 12.934 -4.090 1.589 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.739 -4.470 2.469 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.877 -5.290 1.485 1.00 0.00 C ATOM 0 H LEU A 66 11.339 -2.730 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 66 10.559 -2.933 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.016 -4.562 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.304 -3.378 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 66 13.453 -3.242 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.092 -4.746 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.061 -3.620 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.213 -5.314 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.219 -5.572 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.349 -6.129 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.736 -5.026 0.868 1.00 0.00 H new ATOM 1015 N GLU A 67 12.556 -0.432 0.229 1.00 0.00 N ATOM 1016 CA GLU A 67 13.155 0.779 0.839 1.00 0.00 C ATOM 1017 C GLU A 67 12.033 1.670 1.373 1.00 0.00 C ATOM 1018 O GLU A 67 12.175 2.321 2.389 1.00 0.00 O ATOM 1019 CB GLU A 67 13.950 1.531 -0.226 1.00 0.00 C ATOM 1020 CG GLU A 67 12.989 2.279 -1.151 1.00 0.00 C ATOM 1021 CD GLU A 67 13.714 2.647 -2.447 1.00 0.00 C ATOM 1022 OE1 GLU A 67 14.499 3.580 -2.420 1.00 0.00 O ATOM 1023 OE2 GLU A 67 13.473 1.988 -3.445 1.00 0.00 O ATOM 0 H GLU A 67 12.592 -0.465 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 67 13.820 0.501 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.636 2.233 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.556 0.832 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.121 1.658 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.620 3.179 -0.659 1.00 0.00 H new ATOM 1030 N LEU A 68 10.912 1.693 0.702 1.00 0.00 N ATOM 1031 CA LEU A 68 9.778 2.527 1.181 1.00 0.00 C ATOM 1032 C LEU A 68 9.339 1.993 2.541 1.00 0.00 C ATOM 1033 O LEU A 68 9.307 2.700 3.527 1.00 0.00 O ATOM 1034 CB LEU A 68 8.604 2.407 0.200 1.00 0.00 C ATOM 1035 CG LEU A 68 8.801 3.332 -1.006 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.774 2.987 -2.101 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.599 4.794 -0.582 1.00 0.00 C ATOM 0 H LEU A 68 10.735 1.170 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 68 10.084 3.571 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.513 1.375 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.673 2.659 0.708 1.00 0.00 H new ATOM 0 HG LEU A 68 9.812 3.196 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.918 3.647 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.910 1.952 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.766 3.117 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.741 5.446 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.590 4.923 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.323 5.052 0.191 1.00 0.00 H new ATOM 1049 N LEU A 69 9.009 0.733 2.586 1.00 0.00 N ATOM 1050 CA LEU A 69 8.574 0.098 3.861 1.00 0.00 C ATOM 1051 C LEU A 69 9.673 0.275 4.912 1.00 0.00 C ATOM 1052 O LEU A 69 9.463 0.847 5.962 1.00 0.00 O ATOM 1053 CB LEU A 69 8.362 -1.388 3.594 1.00 0.00 C ATOM 1054 CG LEU A 69 7.250 -1.960 4.481 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.127 -3.469 4.232 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.579 -1.729 5.958 1.00 0.00 C ATOM 0 H LEU A 69 9.023 0.107 1.781 1.00 0.00 H new ATOM 0 HA LEU A 69 7.654 0.555 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.107 -1.538 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.291 -1.929 3.777 1.00 0.00 H new ATOM 0 HG LEU A 69 6.313 -1.459 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.337 -3.878 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.885 -3.646 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.072 -3.956 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.781 -2.140 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.519 -2.223 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.671 -0.660 6.147 1.00 0.00 H new ATOM 1068 N LYS A 70 10.849 -0.215 4.635 1.00 0.00 N ATOM 1069 CA LYS A 70 11.961 -0.073 5.614 1.00 0.00 C ATOM 1070 C LYS A 70 12.124 1.402 5.984 1.00 0.00 C ATOM 1071 O LYS A 70 12.390 1.742 7.120 1.00 0.00 O ATOM 1072 CB LYS A 70 13.260 -0.592 4.993 1.00 0.00 C ATOM 1073 CG LYS A 70 14.417 -0.374 5.975 1.00 0.00 C ATOM 1074 CD LYS A 70 15.412 -1.536 5.875 1.00 0.00 C ATOM 1075 CE LYS A 70 16.523 -1.363 6.915 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.787 0.088 7.137 1.00 0.00 N ATOM 0 H LYS A 70 11.088 -0.707 3.774 1.00 0.00 H new ATOM 0 HA LYS A 70 11.734 -0.651 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.165 -1.652 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.461 -0.073 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.920 0.567 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.033 -0.299 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.896 -2.483 6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.842 -1.573 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.233 -1.837 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.432 -1.859 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.708 0.206 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.799 0.583 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.039 0.489 7.738 1.00 0.00 H new ATOM 1090 N THR A 71 11.962 2.284 5.034 1.00 0.00 N ATOM 1091 CA THR A 71 12.102 3.737 5.337 1.00 0.00 C ATOM 1092 C THR A 71 10.886 4.200 6.139 1.00 0.00 C ATOM 1093 O THR A 71 10.971 5.099 6.953 1.00 0.00 O ATOM 1094 CB THR A 71 12.187 4.531 4.031 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.357 4.148 3.321 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.248 6.026 4.347 1.00 0.00 C ATOM 0 H THR A 71 11.739 2.061 4.064 1.00 0.00 H new ATOM 0 HA THR A 71 13.010 3.904 5.916 1.00 0.00 H new ATOM 0 HB THR A 71 11.308 4.325 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.108 3.581 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.309 6.592 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.351 6.319 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.128 6.234 4.956 1.00 0.00 H new ATOM 1104 N ILE A 72 9.757 3.583 5.924 1.00 0.00 N ATOM 1105 CA ILE A 72 8.537 3.977 6.681 1.00 0.00 C ATOM 1106 C ILE A 72 8.738 3.614 8.152 1.00 0.00 C ATOM 1107 O ILE A 72 8.149 4.204 9.037 1.00 0.00 O ATOM 1108 CB ILE A 72 7.323 3.230 6.113 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.765 4.003 4.911 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.245 3.102 7.189 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.163 3.022 3.895 1.00 0.00 C ATOM 0 H ILE A 72 9.627 2.823 5.256 1.00 0.00 H new ATOM 0 HA ILE A 72 8.364 5.049 6.590 1.00 0.00 H new ATOM 0 HB ILE A 72 7.628 2.234 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.004 4.709 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.558 4.586 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.385 2.571 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.643 2.548 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.937 4.095 7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.768 3.577 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.935 2.333 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.357 2.459 4.366 1.00 0.00 H new ATOM 1123 N ARG A 73 9.582 2.654 8.419 1.00 0.00 N ATOM 1124 CA ARG A 73 9.840 2.256 9.831 1.00 0.00 C ATOM 1125 C ARG A 73 10.889 3.197 10.428 1.00 0.00 C ATOM 1126 O ARG A 73 11.028 3.306 11.630 1.00 0.00 O ATOM 1127 CB ARG A 73 10.369 0.815 9.869 1.00 0.00 C ATOM 1128 CG ARG A 73 9.390 -0.101 10.618 1.00 0.00 C ATOM 1129 CD ARG A 73 8.152 -0.354 9.754 1.00 0.00 C ATOM 1130 NE ARG A 73 7.209 -1.244 10.489 1.00 0.00 N ATOM 1131 CZ ARG A 73 6.455 -0.757 11.435 1.00 0.00 C ATOM 1132 NH1 ARG A 73 5.383 -0.076 11.131 1.00 0.00 N ATOM 1133 NH2 ARG A 73 6.771 -0.950 12.687 1.00 0.00 N ATOM 0 H ARG A 73 10.104 2.128 7.718 1.00 0.00 H new ATOM 0 HA ARG A 73 8.916 2.317 10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.514 0.448 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.343 0.792 10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.875 -1.047 10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.098 0.358 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.664 0.590 9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.442 -0.814 8.809 1.00 0.00 H new ATOM 0 HE ARG A 73 7.153 -2.235 10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.135 0.075 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.794 0.305 11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.608 -1.482 12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.181 -0.569 13.427 1.00 0.00 H new ATOM 1147 N ALA A 74 11.628 3.880 9.595 1.00 0.00 N ATOM 1148 CA ALA A 74 12.666 4.814 10.113 1.00 0.00 C ATOM 1149 C ALA A 74 12.051 5.696 11.197 1.00 0.00 C ATOM 1150 O ALA A 74 12.563 5.802 12.293 1.00 0.00 O ATOM 1151 CB ALA A 74 13.179 5.693 8.969 1.00 0.00 C ATOM 0 H ALA A 74 11.557 3.831 8.579 1.00 0.00 H new ATOM 0 HA ALA A 74 13.496 4.245 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.939 6.377 9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.613 5.063 8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.351 6.266 8.551 1.00 0.00 H new ATOM 1157 N ASP A 75 10.953 6.325 10.897 1.00 0.00 N ATOM 1158 CA ASP A 75 10.293 7.197 11.906 1.00 0.00 C ATOM 1159 C ASP A 75 9.771 6.327 13.053 1.00 0.00 C ATOM 1160 O ASP A 75 8.620 5.939 13.080 1.00 0.00 O ATOM 1161 CB ASP A 75 9.130 7.942 11.246 1.00 0.00 C ATOM 1162 CG ASP A 75 8.228 8.543 12.326 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.511 9.649 12.757 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.270 7.887 12.703 1.00 0.00 O ATOM 0 H ASP A 75 10.482 6.273 9.994 1.00 0.00 H new ATOM 0 HA ASP A 75 11.007 7.922 12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.511 8.730 10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.557 7.260 10.618 1.00 0.00 H new ATOM 1169 N GLY A 76 10.618 6.009 13.996 1.00 0.00 N ATOM 1170 CA GLY A 76 10.186 5.153 15.139 1.00 0.00 C ATOM 1171 C GLY A 76 8.948 5.751 15.810 1.00 0.00 C ATOM 1172 O GLY A 76 8.128 5.042 16.359 1.00 0.00 O ATOM 0 H GLY A 76 11.593 6.306 14.024 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.966 4.146 14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.995 5.067 15.864 1.00 0.00 H new ATOM 1176 N ALA A 77 8.805 7.047 15.776 1.00 0.00 N ATOM 1177 CA ALA A 77 7.618 7.682 16.419 1.00 0.00 C ATOM 1178 C ALA A 77 6.350 6.927 16.013 1.00 0.00 C ATOM 1179 O ALA A 77 5.939 5.991 16.670 1.00 0.00 O ATOM 1180 CB ALA A 77 7.511 9.139 15.964 1.00 0.00 C ATOM 0 H ALA A 77 9.457 7.694 15.332 1.00 0.00 H new ATOM 0 HA ALA A 77 7.730 7.646 17.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.644 9.604 16.433 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.413 9.678 16.254 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.400 9.175 14.880 1.00 0.00 H new ATOM 1186 N MET A 78 5.733 7.331 14.933 1.00 0.00 N ATOM 1187 CA MET A 78 4.488 6.650 14.461 1.00 0.00 C ATOM 1188 C MET A 78 4.734 6.054 13.079 1.00 0.00 C ATOM 1189 O MET A 78 3.809 5.789 12.337 1.00 0.00 O ATOM 1190 CB MET A 78 3.352 7.673 14.382 1.00 0.00 C ATOM 1191 CG MET A 78 2.966 8.117 15.793 1.00 0.00 C ATOM 1192 SD MET A 78 2.436 9.848 15.758 1.00 0.00 S ATOM 1193 CE MET A 78 1.588 9.864 17.358 1.00 0.00 C ATOM 0 H MET A 78 6.041 8.111 14.352 1.00 0.00 H new ATOM 0 HA MET A 78 4.215 5.856 15.157 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.664 8.534 13.791 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.490 7.236 13.878 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.163 7.488 16.177 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.814 7.999 16.468 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.177 10.857 17.542 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.780 9.132 17.349 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.296 9.613 18.148 1.00 0.00 H new ATOM 1203 N SER A 79 5.975 5.838 12.726 1.00 0.00 N ATOM 1204 CA SER A 79 6.272 5.258 11.388 1.00 0.00 C ATOM 1205 C SER A 79 5.453 6.011 10.340 1.00 0.00 C ATOM 1206 O SER A 79 5.587 7.206 10.172 1.00 0.00 O ATOM 1207 CB SER A 79 5.885 3.778 11.378 1.00 0.00 C ATOM 1208 OG SER A 79 5.931 3.289 10.046 1.00 0.00 O ATOM 0 H SER A 79 6.790 6.038 13.305 1.00 0.00 H new ATOM 0 HA SER A 79 7.335 5.349 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.566 3.208 12.010 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.884 3.649 11.790 1.00 0.00 H new ATOM 0 HG SER A 79 6.772 3.564 9.625 1.00 0.00 H new ATOM 1214 N ALA A 80 4.586 5.324 9.657 1.00 0.00 N ATOM 1215 CA ALA A 80 3.735 5.999 8.643 1.00 0.00 C ATOM 1216 C ALA A 80 2.406 5.255 8.548 1.00 0.00 C ATOM 1217 O ALA A 80 1.966 4.887 7.477 1.00 0.00 O ATOM 1218 CB ALA A 80 4.427 5.996 7.280 1.00 0.00 C ATOM 0 H ALA A 80 4.429 4.321 9.757 1.00 0.00 H new ATOM 0 HA ALA A 80 3.566 7.034 8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.791 6.494 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.378 6.524 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.606 4.968 6.965 1.00 0.00 H new ATOM 1224 N LEU A 81 1.750 5.055 9.666 1.00 0.00 N ATOM 1225 CA LEU A 81 0.448 4.361 9.659 1.00 0.00 C ATOM 1226 C LEU A 81 0.563 3.090 8.764 1.00 0.00 C ATOM 1227 O LEU A 81 1.657 2.751 8.359 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.599 5.381 9.199 1.00 0.00 C ATOM 1229 CG LEU A 81 -0.159 6.812 9.564 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -1.305 7.783 9.283 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.177 6.892 11.056 1.00 0.00 C ATOM 0 H LEU A 81 2.074 5.351 10.587 1.00 0.00 H new ATOM 0 HA LEU A 81 0.140 3.999 10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.742 5.302 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.559 5.160 9.665 1.00 0.00 H new ATOM 0 HG LEU A 81 0.717 7.071 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.995 8.796 9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.566 7.741 8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.172 7.505 9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.487 7.907 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.703 6.627 11.642 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.987 6.199 11.284 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.525 2.366 8.535 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.470 1.097 7.763 1.00 0.00 C ATOM 1245 C PRO A 82 -0.020 1.258 6.302 1.00 0.00 C ATOM 1246 O PRO A 82 -0.344 2.209 5.615 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.898 0.538 7.819 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.751 1.508 8.668 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.878 2.724 9.001 1.00 0.00 C ATOM 0 HA PRO A 82 0.279 0.437 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.311 0.444 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.901 -0.459 8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.642 1.815 8.120 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.091 1.020 9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.243 3.620 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.884 2.932 10.071 1.00 0.00 H new ATOM 1257 N VAL A 83 0.703 0.276 5.828 1.00 0.00 N ATOM 1258 CA VAL A 83 1.176 0.266 4.414 1.00 0.00 C ATOM 1259 C VAL A 83 1.041 -1.144 3.892 1.00 0.00 C ATOM 1260 O VAL A 83 1.784 -2.010 4.304 1.00 0.00 O ATOM 1261 CB VAL A 83 2.667 0.600 4.322 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.224 0.068 2.985 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.892 2.104 4.410 1.00 0.00 C ATOM 0 H VAL A 83 0.990 -0.536 6.375 1.00 0.00 H new ATOM 0 HA VAL A 83 0.591 0.997 3.855 1.00 0.00 H new ATOM 0 HB VAL A 83 3.185 0.127 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.286 0.303 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.088 -1.012 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.692 0.537 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.959 2.317 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.371 2.598 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.508 2.474 5.360 1.00 0.00 H new ATOM 1273 N LEU A 84 0.155 -1.401 2.978 1.00 0.00 N ATOM 1274 CA LEU A 84 0.087 -2.783 2.462 1.00 0.00 C ATOM 1275 C LEU A 84 0.929 -2.827 1.205 1.00 0.00 C ATOM 1276 O LEU A 84 0.564 -2.301 0.171 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.367 -3.194 2.174 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.510 -4.698 1.786 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.352 -5.577 2.294 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.798 -5.245 2.397 1.00 0.00 C ATOM 0 H LEU A 84 -0.505 -0.735 2.577 1.00 0.00 H new ATOM 0 HA LEU A 84 0.466 -3.490 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.977 -2.992 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.760 -2.577 1.366 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.510 -4.737 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.518 -6.610 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.588 -5.220 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.305 -5.524 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.908 -6.297 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.757 -5.146 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.650 -4.683 2.014 1.00 0.00 H new ATOM 1292 N MET A 85 2.075 -3.426 1.296 1.00 0.00 N ATOM 1293 CA MET A 85 2.966 -3.474 0.121 1.00 0.00 C ATOM 1294 C MET A 85 2.423 -4.485 -0.886 1.00 0.00 C ATOM 1295 O MET A 85 2.480 -5.683 -0.687 1.00 0.00 O ATOM 1296 CB MET A 85 4.369 -3.878 0.575 1.00 0.00 C ATOM 1297 CG MET A 85 5.312 -3.893 -0.626 1.00 0.00 C ATOM 1298 SD MET A 85 6.763 -2.874 -0.263 1.00 0.00 S ATOM 1299 CE MET A 85 6.007 -1.266 -0.606 1.00 0.00 C ATOM 0 H MET A 85 2.431 -3.884 2.135 1.00 0.00 H new ATOM 0 HA MET A 85 3.012 -2.494 -0.354 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.734 -3.179 1.328 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.342 -4.863 1.041 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.618 -4.915 -0.849 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.799 -3.514 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.763 -0.485 -0.529 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.589 -1.268 -1.613 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.213 -1.076 0.116 1.00 0.00 H new ATOM 1309 N VAL A 86 1.893 -4.005 -1.967 1.00 0.00 N ATOM 1310 CA VAL A 86 1.342 -4.921 -2.994 1.00 0.00 C ATOM 1311 C VAL A 86 2.439 -5.225 -4.018 1.00 0.00 C ATOM 1312 O VAL A 86 3.260 -4.384 -4.319 1.00 0.00 O ATOM 1313 CB VAL A 86 0.125 -4.246 -3.644 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.377 -2.756 -3.815 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.182 -4.880 -5.000 1.00 0.00 C ATOM 0 H VAL A 86 1.817 -3.012 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 86 1.017 -5.865 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.735 -4.388 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.494 -2.290 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.556 -2.303 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.249 -2.605 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.047 -4.388 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.679 -4.765 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.397 -5.940 -4.866 1.00 0.00 H new ATOM 1325 N THR A 87 2.476 -6.425 -4.546 1.00 0.00 N ATOM 1326 CA THR A 87 3.548 -6.765 -5.533 1.00 0.00 C ATOM 1327 C THR A 87 3.015 -7.740 -6.586 1.00 0.00 C ATOM 1328 O THR A 87 1.931 -8.273 -6.459 1.00 0.00 O ATOM 1329 CB THR A 87 4.724 -7.412 -4.794 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.877 -7.392 -5.624 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.371 -8.858 -4.442 1.00 0.00 C ATOM 0 H THR A 87 1.818 -7.176 -4.339 1.00 0.00 H new ATOM 0 HA THR A 87 3.874 -5.852 -6.031 1.00 0.00 H new ATOM 0 HB THR A 87 4.928 -6.855 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.625 -7.819 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.207 -9.319 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.488 -8.872 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.166 -9.415 -5.356 1.00 0.00 H new ATOM 1339 N ALA A 88 3.780 -7.973 -7.625 1.00 0.00 N ATOM 1340 CA ALA A 88 3.342 -8.914 -8.702 1.00 0.00 C ATOM 1341 C ALA A 88 4.194 -10.182 -8.651 1.00 0.00 C ATOM 1342 O ALA A 88 3.686 -11.278 -8.519 1.00 0.00 O ATOM 1343 CB ALA A 88 3.525 -8.248 -10.067 1.00 0.00 C ATOM 0 H ALA A 88 4.695 -7.548 -7.774 1.00 0.00 H new ATOM 0 HA ALA A 88 2.293 -9.168 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.206 -8.934 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.924 -7.340 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.576 -7.996 -10.211 1.00 0.00 H new ATOM 1349 N GLU A 89 5.488 -10.045 -8.759 1.00 0.00 N ATOM 1350 CA GLU A 89 6.372 -11.245 -8.720 1.00 0.00 C ATOM 1351 C GLU A 89 6.397 -11.821 -7.303 1.00 0.00 C ATOM 1352 O GLU A 89 7.370 -12.415 -6.886 1.00 0.00 O ATOM 1353 CB GLU A 89 7.792 -10.850 -9.132 1.00 0.00 C ATOM 1354 CG GLU A 89 7.843 -10.610 -10.643 1.00 0.00 C ATOM 1355 CD GLU A 89 8.452 -11.831 -11.335 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.775 -12.844 -11.411 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.585 -11.733 -11.777 1.00 0.00 O ATOM 0 H GLU A 89 5.971 -9.154 -8.873 1.00 0.00 H new ATOM 0 HA GLU A 89 5.988 -11.996 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.098 -9.949 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.494 -11.637 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.840 -10.425 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.436 -9.722 -10.861 1.00 0.00 H new ATOM 1364 N ALA A 90 5.335 -11.651 -6.560 1.00 0.00 N ATOM 1365 CA ALA A 90 5.301 -12.191 -5.173 1.00 0.00 C ATOM 1366 C ALA A 90 5.814 -13.631 -5.179 1.00 0.00 C ATOM 1367 O ALA A 90 5.179 -14.524 -5.704 1.00 0.00 O ATOM 1368 CB ALA A 90 3.868 -12.166 -4.647 1.00 0.00 C ATOM 0 H ALA A 90 4.491 -11.161 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 90 5.933 -11.578 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.846 -12.562 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.499 -11.140 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.234 -12.778 -5.289 1.00 0.00 H new ATOM 1374 N LYS A 91 6.963 -13.863 -4.610 1.00 0.00 N ATOM 1375 CA LYS A 91 7.516 -15.245 -4.595 1.00 0.00 C ATOM 1376 C LYS A 91 8.345 -15.457 -3.324 1.00 0.00 C ATOM 1377 O LYS A 91 9.517 -15.136 -3.268 1.00 0.00 O ATOM 1378 CB LYS A 91 8.391 -15.450 -5.837 1.00 0.00 C ATOM 1379 CG LYS A 91 8.169 -16.860 -6.391 1.00 0.00 C ATOM 1380 CD LYS A 91 9.061 -17.075 -7.614 1.00 0.00 C ATOM 1381 CE LYS A 91 10.388 -17.694 -7.175 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.231 -19.172 -7.057 1.00 0.00 N ATOM 0 H LYS A 91 7.542 -13.157 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 91 6.700 -15.968 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.144 -14.707 -6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.441 -15.309 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.397 -17.603 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.122 -16.994 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.563 -17.728 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.240 -16.125 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.169 -17.457 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.700 -17.273 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.133 -19.594 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.498 -19.388 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.952 -19.566 -7.978 1.00 0.00 H new ATOM 1396 N LYS A 92 7.742 -16.004 -2.305 1.00 0.00 N ATOM 1397 CA LYS A 92 8.482 -16.252 -1.034 1.00 0.00 C ATOM 1398 C LYS A 92 9.324 -15.027 -0.666 1.00 0.00 C ATOM 1399 O LYS A 92 8.868 -14.119 -0.001 1.00 0.00 O ATOM 1400 CB LYS A 92 9.407 -17.459 -1.217 1.00 0.00 C ATOM 1401 CG LYS A 92 8.659 -18.740 -0.848 1.00 0.00 C ATOM 1402 CD LYS A 92 9.518 -19.954 -1.210 1.00 0.00 C ATOM 1403 CE LYS A 92 9.698 -20.840 0.024 1.00 0.00 C ATOM 1404 NZ LYS A 92 10.424 -22.082 -0.358 1.00 0.00 N ATOM 0 H LYS A 92 6.763 -16.292 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 92 7.765 -16.446 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.752 -17.512 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.292 -17.350 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.431 -18.747 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.707 -18.784 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.045 -20.521 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.490 -19.627 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.254 -20.303 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.726 -21.090 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.546 -22.684 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.877 -22.597 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.357 -21.834 -0.745 1.00 0.00 H new ATOM 1418 N GLU A 93 10.559 -15.009 -1.081 1.00 0.00 N ATOM 1419 CA GLU A 93 11.451 -13.865 -0.752 1.00 0.00 C ATOM 1420 C GLU A 93 10.727 -12.533 -0.998 1.00 0.00 C ATOM 1421 O GLU A 93 10.359 -11.842 -0.069 1.00 0.00 O ATOM 1422 CB GLU A 93 12.715 -13.935 -1.618 1.00 0.00 C ATOM 1423 CG GLU A 93 12.741 -15.262 -2.383 1.00 0.00 C ATOM 1424 CD GLU A 93 14.045 -15.372 -3.177 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.975 -14.651 -2.855 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.090 -16.175 -4.094 1.00 0.00 O ATOM 0 H GLU A 93 10.992 -15.745 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 93 11.726 -13.923 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.735 -13.100 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.603 -13.847 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.656 -16.096 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.887 -15.321 -3.057 1.00 0.00 H new ATOM 1433 N ASN A 94 10.539 -12.165 -2.240 1.00 0.00 N ATOM 1434 CA ASN A 94 9.861 -10.869 -2.559 1.00 0.00 C ATOM 1435 C ASN A 94 8.670 -10.635 -1.625 1.00 0.00 C ATOM 1436 O ASN A 94 8.372 -9.516 -1.259 1.00 0.00 O ATOM 1437 CB ASN A 94 9.373 -10.894 -4.007 1.00 0.00 C ATOM 1438 CG ASN A 94 9.897 -12.150 -4.703 1.00 0.00 C ATOM 1439 OD1 ASN A 94 9.236 -13.164 -4.721 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.066 -12.127 -5.276 1.00 0.00 N ATOM 0 H ASN A 94 10.828 -12.709 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 94 10.577 -10.059 -2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.283 -10.879 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.718 -10.004 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.423 -12.963 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.624 -11.273 -5.262 1.00 0.00 H new ATOM 1447 N ILE A 95 7.985 -11.671 -1.237 1.00 0.00 N ATOM 1448 CA ILE A 95 6.818 -11.486 -0.328 1.00 0.00 C ATOM 1449 C ILE A 95 7.319 -11.210 1.086 1.00 0.00 C ATOM 1450 O ILE A 95 7.135 -10.135 1.622 1.00 0.00 O ATOM 1451 CB ILE A 95 5.960 -12.751 -0.328 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.067 -12.752 -1.568 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.092 -12.777 0.931 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.414 -14.126 -1.734 1.00 0.00 C ATOM 0 H ILE A 95 8.180 -12.635 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 95 6.218 -10.645 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 95 6.602 -13.632 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.300 -11.983 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.656 -12.510 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.480 -13.679 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.731 -12.771 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.446 -11.899 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.778 -14.122 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.188 -14.885 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.810 -14.351 -0.855 1.00 0.00 H new ATOM 1466 N ILE A 96 7.955 -12.169 1.696 1.00 0.00 N ATOM 1467 CA ILE A 96 8.469 -11.952 3.073 1.00 0.00 C ATOM 1468 C ILE A 96 9.500 -10.823 3.048 1.00 0.00 C ATOM 1469 O ILE A 96 10.055 -10.459 4.063 1.00 0.00 O ATOM 1470 CB ILE A 96 9.124 -13.236 3.585 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.078 -14.352 3.642 1.00 0.00 C ATOM 1472 CG2 ILE A 96 9.689 -12.999 4.987 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.781 -15.708 3.726 1.00 0.00 C ATOM 0 H ILE A 96 8.140 -13.091 1.301 1.00 0.00 H new ATOM 0 HA ILE A 96 7.646 -11.683 3.735 1.00 0.00 H new ATOM 0 HB ILE A 96 9.931 -13.524 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.429 -14.213 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.442 -14.314 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.155 -13.915 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.433 -12.203 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.882 -12.711 5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.036 -16.502 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.411 -15.846 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.398 -15.743 4.624 1.00 0.00 H new ATOM 1485 N ALA A 97 9.756 -10.264 1.893 1.00 0.00 N ATOM 1486 CA ALA A 97 10.745 -9.154 1.808 1.00 0.00 C ATOM 1487 C ALA A 97 10.108 -7.874 2.346 1.00 0.00 C ATOM 1488 O ALA A 97 10.744 -7.086 3.017 1.00 0.00 O ATOM 1489 CB ALA A 97 11.170 -8.944 0.352 1.00 0.00 C ATOM 0 H ALA A 97 9.323 -10.529 1.008 1.00 0.00 H new ATOM 0 HA ALA A 97 11.625 -9.405 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.893 -8.130 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.623 -9.859 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.296 -8.693 -0.249 1.00 0.00 H new ATOM 1495 N ALA A 98 8.849 -7.665 2.074 1.00 0.00 N ATOM 1496 CA ALA A 98 8.179 -6.443 2.596 1.00 0.00 C ATOM 1497 C ALA A 98 7.987 -6.607 4.092 1.00 0.00 C ATOM 1498 O ALA A 98 8.469 -5.827 4.889 1.00 0.00 O ATOM 1499 CB ALA A 98 6.801 -6.271 1.961 1.00 0.00 C ATOM 0 H ALA A 98 8.260 -8.283 1.517 1.00 0.00 H new ATOM 0 HA ALA A 98 8.795 -5.574 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.328 -5.372 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.907 -6.180 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.183 -7.138 2.193 1.00 0.00 H new ATOM 1505 N ALA A 99 7.267 -7.620 4.478 1.00 0.00 N ATOM 1506 CA ALA A 99 7.018 -7.840 5.911 1.00 0.00 C ATOM 1507 C ALA A 99 8.351 -8.024 6.639 1.00 0.00 C ATOM 1508 O ALA A 99 8.440 -7.805 7.831 1.00 0.00 O ATOM 1509 CB ALA A 99 6.158 -9.086 6.100 1.00 0.00 C ATOM 0 H ALA A 99 6.841 -8.304 3.853 1.00 0.00 H new ATOM 0 HA ALA A 99 6.495 -6.976 6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.976 -9.245 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.207 -8.953 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.676 -9.952 5.687 1.00 0.00 H new ATOM 1515 N GLN A 100 9.398 -8.410 5.938 1.00 0.00 N ATOM 1516 CA GLN A 100 10.715 -8.568 6.623 1.00 0.00 C ATOM 1517 C GLN A 100 10.926 -7.294 7.415 1.00 0.00 C ATOM 1518 O GLN A 100 11.456 -7.287 8.508 1.00 0.00 O ATOM 1519 CB GLN A 100 11.842 -8.730 5.601 1.00 0.00 C ATOM 1520 CG GLN A 100 12.513 -10.093 5.783 1.00 0.00 C ATOM 1521 CD GLN A 100 13.303 -10.103 7.095 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.438 -9.673 7.135 1.00 0.00 O ATOM 1523 NE2 GLN A 100 12.746 -10.578 8.175 1.00 0.00 N ATOM 0 H GLN A 100 9.393 -8.618 4.939 1.00 0.00 H new ATOM 0 HA GLN A 100 10.722 -9.453 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.444 -8.642 4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.576 -7.933 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.761 -10.882 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.178 -10.298 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.793 -10.939 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.264 -10.588 9.054 1.00 0.00 H new ATOM 1532 N ALA A 101 10.438 -6.217 6.873 1.00 0.00 N ATOM 1533 CA ALA A 101 10.512 -4.921 7.580 1.00 0.00 C ATOM 1534 C ALA A 101 9.287 -4.891 8.491 1.00 0.00 C ATOM 1535 O ALA A 101 9.342 -4.471 9.630 1.00 0.00 O ATOM 1536 CB ALA A 101 10.477 -3.782 6.564 1.00 0.00 C ATOM 0 H ALA A 101 9.986 -6.183 5.959 1.00 0.00 H new ATOM 0 HA ALA A 101 11.431 -4.804 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.532 -2.827 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.325 -3.874 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.549 -3.831 5.994 1.00 0.00 H new ATOM 1542 N GLY A 102 8.196 -5.430 8.001 1.00 0.00 N ATOM 1543 CA GLY A 102 6.970 -5.552 8.824 1.00 0.00 C ATOM 1544 C GLY A 102 6.033 -4.354 8.722 1.00 0.00 C ATOM 1545 O GLY A 102 5.794 -3.692 9.713 1.00 0.00 O ATOM 0 H GLY A 102 8.111 -5.793 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.430 -6.449 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.257 -5.688 9.867 1.00 0.00 H new ATOM 1549 N ALA A 103 5.447 -4.074 7.577 1.00 0.00 N ATOM 1550 CA ALA A 103 4.494 -2.925 7.562 1.00 0.00 C ATOM 1551 C ALA A 103 3.090 -3.447 7.892 1.00 0.00 C ATOM 1552 O ALA A 103 2.831 -3.908 8.986 1.00 0.00 O ATOM 1553 CB ALA A 103 4.514 -2.277 6.171 1.00 0.00 C ATOM 0 H ALA A 103 5.581 -4.567 6.694 1.00 0.00 H new ATOM 0 HA ALA A 103 4.781 -2.178 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.820 -1.436 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.521 -1.922 5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.215 -3.012 5.423 1.00 0.00 H new ATOM 1559 N SER A 104 2.207 -3.432 6.944 1.00 0.00 N ATOM 1560 CA SER A 104 0.840 -3.979 7.168 1.00 0.00 C ATOM 1561 C SER A 104 0.832 -5.446 6.765 1.00 0.00 C ATOM 1562 O SER A 104 0.304 -6.304 7.442 1.00 0.00 O ATOM 1563 CB SER A 104 -0.191 -3.209 6.346 1.00 0.00 C ATOM 1564 OG SER A 104 -0.539 -3.970 5.197 1.00 0.00 O ATOM 0 H SER A 104 2.372 -3.060 6.009 1.00 0.00 H new ATOM 0 HA SER A 104 0.578 -3.877 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.078 -3.011 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.214 -2.242 6.047 1.00 0.00 H new ATOM 0 HG SER A 104 -1.503 -3.896 5.035 1.00 0.00 H new ATOM 1570 N GLY A 105 1.405 -5.707 5.622 1.00 0.00 N ATOM 1571 CA GLY A 105 1.443 -7.091 5.077 1.00 0.00 C ATOM 1572 C GLY A 105 1.783 -7.034 3.588 1.00 0.00 C ATOM 1573 O GLY A 105 2.341 -6.061 3.105 1.00 0.00 O ATOM 0 H GLY A 105 1.856 -5.006 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.186 -7.684 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.480 -7.579 5.224 1.00 0.00 H new ATOM 1577 N TYR A 106 1.435 -8.061 2.855 1.00 0.00 N ATOM 1578 CA TYR A 106 1.712 -8.068 1.390 1.00 0.00 C ATOM 1579 C TYR A 106 0.502 -8.626 0.653 1.00 0.00 C ATOM 1580 O TYR A 106 -0.182 -9.505 1.139 1.00 0.00 O ATOM 1581 CB TYR A 106 2.918 -8.954 1.068 1.00 0.00 C ATOM 1582 CG TYR A 106 2.500 -10.007 0.059 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.352 -9.676 -1.299 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.257 -11.319 0.483 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.961 -10.661 -2.215 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.869 -12.297 -0.438 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.721 -11.968 -1.786 1.00 0.00 C ATOM 1588 OH TYR A 106 1.337 -12.933 -2.694 1.00 0.00 O ATOM 0 H TYR A 106 0.970 -8.896 3.211 1.00 0.00 H new ATOM 0 HA TYR A 106 1.921 -7.045 1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.733 -8.351 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.290 -9.429 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.539 -8.667 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.370 -11.577 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.845 -10.408 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.684 -13.308 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 106 1.212 -13.787 -2.230 1.00 0.00 H new ATOM 1598 N VAL A 107 0.247 -8.135 -0.523 1.00 0.00 N ATOM 1599 CA VAL A 107 -0.906 -8.650 -1.313 1.00 0.00 C ATOM 1600 C VAL A 107 -0.479 -8.735 -2.778 1.00 0.00 C ATOM 1601 O VAL A 107 0.157 -7.845 -3.300 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.113 -7.712 -1.149 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.805 -6.345 -1.757 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.337 -8.310 -1.849 1.00 0.00 C ATOM 0 H VAL A 107 0.787 -7.397 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.201 -9.638 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.320 -7.595 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.667 -5.690 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.943 -5.908 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.585 -6.460 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.188 -7.640 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.123 -8.438 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.572 -9.278 -1.407 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.807 -9.803 -3.446 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.391 -9.916 -4.867 1.00 0.00 C ATOM 1616 C VAL A 108 -1.357 -9.103 -5.737 1.00 0.00 C ATOM 1617 O VAL A 108 -2.457 -8.799 -5.326 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.410 -11.386 -5.297 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.758 -12.011 -4.932 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.201 -11.481 -6.809 1.00 0.00 C ATOM 0 H VAL A 108 -1.337 -10.592 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 108 0.621 -9.528 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 108 0.390 -11.920 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.769 -13.057 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.909 -11.947 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.558 -11.475 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.215 -12.528 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.999 -10.944 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.760 -11.039 -7.072 1.00 0.00 H new ATOM 1630 N LYS A 109 -0.949 -8.741 -6.930 1.00 0.00 N ATOM 1631 CA LYS A 109 -1.835 -7.932 -7.827 1.00 0.00 C ATOM 1632 C LYS A 109 -1.911 -8.599 -9.213 1.00 0.00 C ATOM 1633 O LYS A 109 -0.982 -9.278 -9.598 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.221 -6.536 -7.979 1.00 0.00 C ATOM 1635 CG LYS A 109 0.262 -6.662 -8.355 1.00 0.00 C ATOM 1636 CD LYS A 109 0.606 -5.688 -9.489 1.00 0.00 C ATOM 1637 CE LYS A 109 0.180 -6.282 -10.838 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.003 -7.488 -11.134 1.00 0.00 N ATOM 0 H LYS A 109 -0.036 -8.972 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.836 -7.866 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.754 -5.975 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.324 -5.979 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.884 -6.453 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.481 -7.684 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.102 -4.735 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.677 -5.486 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.877 -6.548 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.304 -5.542 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.517 -8.075 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.929 -7.194 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.139 -8.038 -10.262 1.00 0.00 H new ATOM 1652 N PRO A 110 -2.980 -8.366 -9.958 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.151 -7.545 -9.546 1.00 0.00 C ATOM 1654 C PRO A 110 -5.018 -8.324 -8.555 1.00 0.00 C ATOM 1655 O PRO A 110 -5.431 -9.434 -8.829 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.952 -7.340 -10.840 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.218 -8.099 -11.973 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.066 -8.886 -11.331 1.00 0.00 C ATOM 0 HA PRO A 110 -3.848 -6.612 -9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.969 -7.716 -10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.029 -6.279 -11.078 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.902 -8.773 -12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.837 -7.401 -12.718 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.266 -9.957 -11.337 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.132 -8.733 -11.872 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.315 -7.757 -7.413 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.172 -8.493 -6.443 1.00 0.00 C ATOM 1668 C PHE A 111 -7.631 -8.163 -6.708 1.00 0.00 C ATOM 1669 O PHE A 111 -7.968 -7.123 -7.236 1.00 0.00 O ATOM 1670 CB PHE A 111 -5.851 -8.108 -4.980 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.498 -6.637 -4.856 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.451 -5.649 -5.143 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.211 -6.257 -4.464 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.110 -4.298 -5.047 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -3.873 -4.906 -4.374 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.819 -3.926 -4.671 1.00 0.00 C ATOM 0 H PHE A 111 -5.006 -6.831 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 111 -5.976 -9.557 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.710 -8.332 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.021 -8.714 -4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.450 -5.933 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.475 -7.012 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.847 -3.539 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.876 -4.619 -4.074 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.553 -2.881 -4.610 1.00 0.00 H new ATOM 1686 N THR A 112 -8.498 -9.029 -6.302 1.00 0.00 N ATOM 1687 CA THR A 112 -9.942 -8.759 -6.453 1.00 0.00 C ATOM 1688 C THR A 112 -10.370 -8.115 -5.141 1.00 0.00 C ATOM 1689 O THR A 112 -9.801 -8.400 -4.104 1.00 0.00 O ATOM 1690 CB THR A 112 -10.712 -10.064 -6.672 1.00 0.00 C ATOM 1691 OG1 THR A 112 -9.844 -11.034 -7.241 1.00 0.00 O ATOM 1692 CG2 THR A 112 -11.887 -9.808 -7.618 1.00 0.00 C ATOM 0 H THR A 112 -8.267 -9.922 -5.867 1.00 0.00 H new ATOM 0 HA THR A 112 -10.145 -8.119 -7.311 1.00 0.00 H new ATOM 0 HB THR A 112 -11.089 -10.431 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.335 -11.871 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.436 -10.736 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.551 -9.063 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.512 -9.442 -8.574 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.329 -7.241 -5.152 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.725 -6.597 -3.870 1.00 0.00 C ATOM 1702 C ALA A 113 -11.931 -7.670 -2.809 1.00 0.00 C ATOM 1703 O ALA A 113 -12.001 -7.380 -1.637 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.009 -5.784 -4.063 1.00 0.00 C ATOM 0 H ALA A 113 -11.851 -6.946 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.935 -5.920 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.290 -5.317 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.841 -5.012 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.811 -6.444 -4.394 1.00 0.00 H new ATOM 1710 N ALA A 114 -11.988 -8.910 -3.205 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.148 -9.998 -2.206 1.00 0.00 C ATOM 1712 C ALA A 114 -10.773 -10.333 -1.639 1.00 0.00 C ATOM 1713 O ALA A 114 -10.621 -10.599 -0.463 1.00 0.00 O ATOM 1714 CB ALA A 114 -12.742 -11.236 -2.880 1.00 0.00 C ATOM 0 H ALA A 114 -11.931 -9.216 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.817 -9.678 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.857 -12.031 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.716 -10.988 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.077 -11.572 -3.675 1.00 0.00 H new ATOM 1720 N THR A 115 -9.763 -10.307 -2.465 1.00 0.00 N ATOM 1721 CA THR A 115 -8.397 -10.606 -1.965 1.00 0.00 C ATOM 1722 C THR A 115 -7.939 -9.447 -1.091 1.00 0.00 C ATOM 1723 O THR A 115 -7.655 -9.634 0.078 1.00 0.00 O ATOM 1724 CB THR A 115 -7.436 -10.780 -3.135 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.090 -10.392 -4.326 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.009 -12.245 -3.237 1.00 0.00 C ATOM 0 H THR A 115 -9.827 -10.092 -3.460 1.00 0.00 H new ATOM 0 HA THR A 115 -8.410 -11.530 -1.387 1.00 0.00 H new ATOM 0 HB THR A 115 -6.552 -10.162 -2.981 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.456 -9.489 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.322 -12.366 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.512 -12.544 -2.314 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.888 -12.870 -3.395 1.00 0.00 H new ATOM 1734 N LEU A 116 -7.863 -8.242 -1.620 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.426 -7.126 -0.746 1.00 0.00 C ATOM 1736 C LEU A 116 -8.276 -7.164 0.532 1.00 0.00 C ATOM 1737 O LEU A 116 -7.778 -6.958 1.620 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.632 -5.767 -1.446 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.327 -4.933 -1.505 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.673 -3.472 -1.801 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.572 -4.964 -0.174 1.00 0.00 C ATOM 0 H LEU A 116 -8.079 -7.999 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.366 -7.238 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.000 -5.934 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.399 -5.201 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.700 -5.366 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.757 -2.883 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.191 -3.407 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.318 -3.084 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.663 -4.368 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.205 -4.554 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.309 -5.993 0.071 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.559 -7.428 0.409 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.424 -7.477 1.613 1.00 0.00 C ATOM 1755 C GLU A 117 -9.948 -8.571 2.566 1.00 0.00 C ATOM 1756 O GLU A 117 -9.696 -8.325 3.729 1.00 0.00 O ATOM 1757 CB GLU A 117 -11.853 -7.784 1.188 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.540 -6.493 0.750 1.00 0.00 C ATOM 1759 CD GLU A 117 -12.993 -5.717 1.987 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.752 -6.274 2.765 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -12.573 -4.582 2.136 1.00 0.00 O ATOM 0 H GLU A 117 -10.034 -7.610 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.376 -6.514 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.854 -8.505 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.400 -8.238 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.856 -5.887 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.397 -6.720 0.115 1.00 0.00 H new ATOM 1768 N GLU A 118 -9.843 -9.778 2.079 1.00 0.00 N ATOM 1769 CA GLU A 118 -9.399 -10.912 2.944 1.00 0.00 C ATOM 1770 C GLU A 118 -8.249 -10.458 3.840 1.00 0.00 C ATOM 1771 O GLU A 118 -8.159 -10.831 4.993 1.00 0.00 O ATOM 1772 CB GLU A 118 -8.928 -12.068 2.062 1.00 0.00 C ATOM 1773 CG GLU A 118 -8.717 -13.314 2.922 1.00 0.00 C ATOM 1774 CD GLU A 118 -7.335 -13.902 2.636 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -7.232 -14.705 1.724 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -6.403 -13.539 3.334 1.00 0.00 O ATOM 0 H GLU A 118 -10.047 -10.030 1.112 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.233 -11.239 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.665 -12.270 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -7.999 -11.800 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.804 -13.059 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.490 -14.052 2.707 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.371 -9.650 3.319 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.229 -9.164 4.139 1.00 0.00 C ATOM 1785 C LYS A 119 -6.646 -7.892 4.879 1.00 0.00 C ATOM 1786 O LYS A 119 -6.164 -7.599 5.956 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.046 -8.861 3.220 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.212 -10.133 3.038 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.109 -9.900 2.001 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.721 -11.238 1.368 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.364 -12.210 2.440 1.00 0.00 N ATOM 0 H LYS A 119 -7.395 -9.305 2.360 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.941 -9.926 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.403 -8.504 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.433 -8.067 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.770 -10.426 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.853 -10.954 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.456 -9.208 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.240 -9.442 2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.548 -11.624 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.878 -11.101 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.820 -12.996 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.790 -11.733 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.232 -12.581 2.876 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.541 -7.137 4.307 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.999 -5.882 4.969 1.00 0.00 C ATOM 1807 C LEU A 120 -8.741 -6.225 6.263 1.00 0.00 C ATOM 1808 O LEU A 120 -8.303 -5.902 7.346 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.943 -5.125 4.030 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.917 -3.636 4.373 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.823 -2.941 3.561 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.273 -3.010 4.038 1.00 0.00 C ATOM 0 H LEU A 120 -7.977 -7.335 3.406 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.134 -5.260 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.640 -5.276 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.957 -5.513 4.126 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.712 -3.515 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.806 -1.879 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.856 -3.384 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.026 -3.064 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.254 -1.948 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.478 -3.134 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.054 -3.502 4.618 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.868 -6.873 6.156 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.646 -7.230 7.378 1.00 0.00 C ATOM 1826 C ASN A 121 -9.720 -7.859 8.421 1.00 0.00 C ATOM 1827 O ASN A 121 -9.875 -7.649 9.608 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.747 -8.225 7.008 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.111 -7.546 7.133 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.264 -6.394 6.779 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -14.117 -8.215 7.626 1.00 0.00 N ATOM 0 H ASN A 121 -10.285 -7.172 5.274 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.093 -6.327 7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.600 -8.584 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.701 -9.095 7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -15.031 -7.771 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.989 -9.182 7.923 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.761 -8.629 7.991 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.831 -9.271 8.963 1.00 0.00 C ATOM 1840 C LYS A 122 -6.867 -8.222 9.520 1.00 0.00 C ATOM 1841 O LYS A 122 -6.344 -8.359 10.607 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.032 -10.370 8.255 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.826 -11.682 8.279 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.461 -12.498 9.529 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.005 -12.992 9.468 1.00 0.00 C ATOM 1846 NZ LYS A 122 -5.429 -12.778 8.109 1.00 0.00 N ATOM 0 H LYS A 122 -8.580 -8.842 7.010 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.406 -9.706 9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.825 -10.077 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.069 -10.507 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.895 -11.469 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.612 -12.262 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.603 -11.886 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.133 -13.351 9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.406 -12.463 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.965 -14.051 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.530 -13.295 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.095 -13.127 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.260 -11.763 7.960 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.626 -7.175 8.781 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.694 -6.118 9.265 1.00 0.00 C ATOM 1862 C ILE A 123 -6.445 -5.136 10.165 1.00 0.00 C ATOM 1863 O ILE A 123 -5.938 -4.698 11.179 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.118 -5.359 8.069 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.948 -6.149 7.477 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.626 -3.984 8.524 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.647 -5.639 6.067 1.00 0.00 C ATOM 0 H ILE A 123 -7.034 -7.005 7.862 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.888 -6.586 9.830 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.893 -5.235 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.067 -6.042 8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.191 -7.211 7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.216 -3.444 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.459 -3.420 8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.852 -4.107 9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.814 -6.202 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.527 -5.769 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.385 -4.582 6.111 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.642 -4.771 9.798 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.407 -3.804 10.627 1.00 0.00 C ATOM 1881 C PHE A 124 -8.849 -4.460 11.930 1.00 0.00 C ATOM 1882 O PHE A 124 -9.144 -3.789 12.897 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.615 -3.308 9.842 1.00 0.00 C ATOM 1884 CG PHE A 124 -9.151 -2.228 8.902 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -8.333 -2.563 7.820 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.518 -0.895 9.117 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.882 -1.568 6.949 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -9.068 0.103 8.245 1.00 0.00 C ATOM 1889 CZ PHE A 124 -8.249 -0.235 7.161 1.00 0.00 C ATOM 0 H PHE A 124 -8.121 -5.101 8.960 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.769 -2.955 10.872 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -10.070 -4.127 9.285 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -10.377 -2.922 10.519 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -8.049 -3.592 7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.148 -0.636 9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -7.250 -1.828 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.352 1.132 8.408 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.900 0.534 6.488 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.881 -5.761 11.984 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.282 -6.420 13.253 1.00 0.00 C ATOM 1901 C GLU A 125 -8.277 -6.016 14.327 1.00 0.00 C ATOM 1902 O GLU A 125 -8.551 -6.067 15.509 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.277 -7.941 13.078 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.660 -8.500 13.421 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.688 -7.967 12.421 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -11.350 -7.057 11.683 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.797 -8.477 12.412 1.00 0.00 O ATOM 0 H GLU A 125 -8.650 -6.389 11.214 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.288 -6.113 13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.013 -8.199 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.522 -8.389 13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.641 -9.589 13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.939 -8.212 14.434 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.116 -5.589 13.910 1.00 0.00 N ATOM 1915 CA LYS A 126 -6.084 -5.147 14.884 1.00 0.00 C ATOM 1916 C LYS A 126 -6.206 -3.632 15.043 1.00 0.00 C ATOM 1917 O LYS A 126 -5.958 -3.082 16.098 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.690 -5.498 14.348 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.800 -6.018 15.484 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.065 -7.511 15.698 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.183 -8.032 16.836 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.862 -8.453 16.290 1.00 0.00 N ATOM 0 H LYS A 126 -6.839 -5.528 12.930 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.227 -5.643 15.844 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.773 -6.253 13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.235 -4.618 13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.750 -5.855 15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.004 -5.466 16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.116 -7.673 15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.857 -8.063 14.781 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.046 -7.256 17.589 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.669 -8.873 17.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.263 -8.807 17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.001 -9.207 15.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.398 -7.639 15.838 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.603 -2.959 13.996 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.765 -1.481 14.069 1.00 0.00 C ATOM 1938 C LEU A 127 -8.015 -1.171 14.899 1.00 0.00 C ATOM 1939 O LEU A 127 -8.125 -0.127 15.512 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.915 -0.916 12.644 1.00 0.00 C ATOM 1941 CG LEU A 127 -6.413 0.533 12.585 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -6.433 1.013 11.133 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -7.313 1.445 13.427 1.00 0.00 C ATOM 0 H LEU A 127 -6.823 -3.373 13.090 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.894 -1.022 14.537 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.352 -1.531 11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.960 -0.958 12.338 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.398 0.572 12.981 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -6.077 2.042 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.785 0.377 10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.451 0.963 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.944 2.469 13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -8.332 1.407 13.042 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.304 1.108 14.464 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.956 -2.079 14.938 1.00 0.00 N ATOM 1956 CA GLY A 128 -10.191 -1.837 15.736 1.00 0.00 C ATOM 1957 C GLY A 128 -10.831 -0.520 15.301 1.00 0.00 C ATOM 1958 O GLY A 128 -10.710 0.491 15.965 1.00 0.00 O ATOM 0 H GLY A 128 -8.921 -2.975 14.452 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.894 -2.658 15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.949 -1.802 16.798 1.00 0.00 H new ATOM 1962 N MET A 129 -11.512 -0.522 14.190 1.00 0.00 N ATOM 1963 CA MET A 129 -12.160 0.728 13.707 1.00 0.00 C ATOM 1964 C MET A 129 -13.578 0.818 14.275 1.00 0.00 C ATOM 1965 O MET A 129 -14.236 1.813 14.017 1.00 0.00 O ATOM 1966 CB MET A 129 -12.221 0.711 12.179 1.00 0.00 C ATOM 1967 CG MET A 129 -12.278 -0.737 11.688 1.00 0.00 C ATOM 1968 SD MET A 129 -13.604 -1.613 12.553 1.00 0.00 S ATOM 1969 CE MET A 129 -13.706 -3.034 11.437 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.982 -0.109 14.958 1.00 0.00 O ATOM 0 H MET A 129 -11.648 -1.338 13.594 1.00 0.00 H new ATOM 0 HA MET A 129 -11.581 1.591 14.037 1.00 0.00 H new ATOM 0 HB2 MET A 129 -13.098 1.259 11.833 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.347 1.213 11.764 1.00 0.00 H new ATOM 0 HG2 MET A 129 -12.452 -0.761 10.612 1.00 0.00 H new ATOM 0 HG3 MET A 129 -11.323 -1.231 11.867 1.00 0.00 H new ATOM 0 HE1 MET A 129 -14.478 -3.718 11.789 1.00 0.00 H new ATOM 0 HE2 MET A 129 -13.955 -2.691 10.433 1.00 0.00 H new ATOM 0 HE3 MET A 129 -12.746 -3.550 11.416 1.00 0.00 H new