USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 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 87 GLN : amide:sc= 0.497 X(o=-0.071,f=-0.41) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.569 X(o=-0.071,f=-0.41) USER MOD Set 2.1: A 37 THR OG1 : rot -155:sc= 0.596 USER MOD Set 2.2: A 38 SER OG : rot 85:sc= 1.16 USER MOD Set 2.3: A 85 GLN : amide:sc= -0.623 K(o=1.1,f=-3.7!) USER MOD Set 3.1: A 61 ASN : amide:sc= -0.0076 X(o=-2.2,f=-2.2) USER MOD Set 3.2: A 64 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.4!) USER MOD Set 4.1: A 31 HIS : no HE2:sc= -0.257 X(o=-5.7,f=-6.1) USER MOD Set 4.2: A 35 HIS : no HD1:sc= -5.4! C(o=-5.7!,f=-6.3!) USER MOD Set 5.1: A 4 THR OG1 : rot 101:sc= 1.97 USER MOD Set 5.2: A 6 SER OG : rot 94:sc= 1.17 USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 1.14 (180deg=0.877) USER MOD Single : A 23 GLN : amide:sc= 0.921! C(o=0.92!,f=-4.8!) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.894 K(o=-0.89,f=-5.5!) USER MOD Single : A 30 ASN : amide:sc=-0.00188 X(o=-0.0019,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.274 K(o=-0.27,f=-4.3!) USER MOD Single : A 34 MET CE :methyl -166:sc= -0.0632 (180deg=-0.386) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.02 K(o=-3,f=-6.5!) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.016 (180deg=-0.177) USER MOD Single : A 69 GLN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.672 K(o=-0.67,f=-2.2!) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.08) USER MOD Single : A 77 GLN : amide:sc= -1.23! X(o=-1.2!,f=-1.3) USER MOD Single : A 81 GLN : amide:sc= -3 K(o=-3,f=-6.4!) USER MOD Single : A 83 GLN : amide:sc= -0.0467 K(o=-0.047,f=-0.98) USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= -0.147 (180deg=-0.523) USER MOD Single : A 88 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 90 GLN : amide:sc= 0.278 K(o=0.28,f=-8.4!) USER MOD Single : A 94 GLN : amide:sc=-0.00712 K(o=-0.0071,f=-0.85) USER MOD Single : A 95 GLN : amide:sc=0.000411 X(o=0.00041,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.45) USER MOD Single : A 99 MET CE :methyl 180:sc= -0.0776 (180deg=-0.0776) USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= 0.00129 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc=-0.00951 X(o=-0.0095,f=-0.0095) USER MOD Single : A 105 MET CE :methyl 162:sc= -0.113 (180deg=-0.609) USER MOD Single : A 108 ASN :FLIP amide:sc= -0.137 F(o=-2.2!,f=-0.14) USER MOD Single : A 109 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.11) USER MOD Single : A 111 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.13) USER MOD Single : A 113 GLN : amide:sc= -0.752 K(o=-0.75,f=-5.2!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 0.619 -15.264 5.308 1.00 0.00 N ATOM 35 CA CYS A 3 1.925 -15.104 5.864 1.00 0.00 C ATOM 36 C CYS A 3 2.090 -15.992 7.067 1.00 0.00 C ATOM 37 O CYS A 3 1.138 -16.212 7.832 1.00 0.00 O ATOM 38 CB CYS A 3 2.152 -13.657 6.274 1.00 0.00 C ATOM 39 SG CYS A 3 1.957 -12.420 4.936 1.00 0.00 S ATOM 0 HA CYS A 3 2.656 -15.382 5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.457 -13.411 7.077 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.158 -13.567 6.685 1.00 0.00 H new ATOM 44 N THR A 4 3.278 -16.493 7.234 1.00 0.00 N ATOM 45 CA THR A 4 3.618 -17.331 8.345 1.00 0.00 C ATOM 46 C THR A 4 3.718 -16.472 9.587 1.00 0.00 C ATOM 47 O THR A 4 4.086 -15.283 9.503 1.00 0.00 O ATOM 48 CB THR A 4 4.986 -18.011 8.112 1.00 0.00 C ATOM 49 OG1 THR A 4 6.000 -17.010 7.952 1.00 0.00 O ATOM 50 CG2 THR A 4 4.956 -18.881 6.868 1.00 0.00 C ATOM 0 H THR A 4 4.052 -16.328 6.590 1.00 0.00 H new ATOM 0 HA THR A 4 2.851 -18.097 8.459 1.00 0.00 H new ATOM 0 HB THR A 4 5.205 -18.637 8.977 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.501 -16.916 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.931 -19.348 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.197 -19.654 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.719 -18.266 6.000 1.00 0.00 H new ATOM 58 N LYS A 5 3.391 -17.021 10.719 1.00 0.00 N ATOM 59 CA LYS A 5 3.516 -16.286 11.928 1.00 0.00 C ATOM 60 C LYS A 5 4.903 -16.467 12.464 1.00 0.00 C ATOM 61 O LYS A 5 5.169 -17.335 13.296 1.00 0.00 O ATOM 62 CB LYS A 5 2.452 -16.678 12.946 1.00 0.00 C ATOM 63 CG LYS A 5 1.044 -16.612 12.385 1.00 0.00 C ATOM 64 CD LYS A 5 0.751 -15.254 11.771 1.00 0.00 C ATOM 65 CE LYS A 5 -0.601 -15.232 11.092 1.00 0.00 C ATOM 66 NZ LYS A 5 -0.670 -16.167 9.937 1.00 0.00 N ATOM 0 H LYS A 5 3.038 -17.972 10.824 1.00 0.00 H new ATOM 0 HA LYS A 5 3.351 -15.228 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.650 -17.690 13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.524 -16.019 13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.915 -17.389 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.325 -16.816 13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.782 -14.489 12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.527 -15.006 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.372 -15.495 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.817 -14.220 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.521 -15.962 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.175 -16.047 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.712 -17.146 10.285 1.00 0.00 H new ATOM 80 N SER A 6 5.790 -15.730 11.884 1.00 0.00 N ATOM 81 CA SER A 6 7.157 -15.711 12.256 1.00 0.00 C ATOM 82 C SER A 6 7.645 -14.281 12.170 1.00 0.00 C ATOM 83 O SER A 6 6.951 -13.422 11.605 1.00 0.00 O ATOM 84 CB SER A 6 7.955 -16.628 11.308 1.00 0.00 C ATOM 85 OG SER A 6 7.756 -16.270 9.933 1.00 0.00 O ATOM 0 H SER A 6 5.570 -15.103 11.110 1.00 0.00 H new ATOM 0 HA SER A 6 7.293 -16.078 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.016 -16.567 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.652 -17.664 11.462 1.00 0.00 H new ATOM 0 HG SER A 6 8.471 -15.664 9.646 1.00 0.00 H new ATOM 91 N ILE A 7 8.774 -14.012 12.755 1.00 0.00 N ATOM 92 CA ILE A 7 9.411 -12.718 12.665 1.00 0.00 C ATOM 93 C ILE A 7 10.861 -12.934 12.233 1.00 0.00 C ATOM 94 O ILE A 7 11.650 -13.526 12.984 1.00 0.00 O ATOM 95 CB ILE A 7 9.346 -11.933 14.015 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.885 -11.595 14.387 1.00 0.00 C ATOM 97 CG2 ILE A 7 10.195 -10.658 13.962 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.194 -10.622 13.440 1.00 0.00 C ATOM 0 H ILE A 7 9.291 -14.689 13.317 1.00 0.00 H new ATOM 0 HA ILE A 7 8.880 -12.110 11.933 1.00 0.00 H new ATOM 0 HB ILE A 7 9.759 -12.579 14.790 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.309 -12.520 14.419 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.869 -11.175 15.393 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.128 -10.136 14.917 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.234 -10.921 13.765 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.828 -10.009 13.167 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.174 -10.445 13.781 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.740 -9.679 13.425 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.173 -11.045 12.436 1.00 0.00 H new ATOM 110 N PRO A 8 11.233 -12.534 11.009 1.00 0.00 N ATOM 111 CA PRO A 8 10.327 -11.904 10.027 1.00 0.00 C ATOM 112 C PRO A 8 9.339 -12.917 9.412 1.00 0.00 C ATOM 113 O PRO A 8 9.632 -14.128 9.339 1.00 0.00 O ATOM 114 CB PRO A 8 11.287 -11.387 8.941 1.00 0.00 C ATOM 115 CG PRO A 8 12.650 -11.502 9.530 1.00 0.00 C ATOM 116 CD PRO A 8 12.584 -12.652 10.477 1.00 0.00 C ATOM 0 HA PRO A 8 9.709 -11.130 10.482 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.202 -11.977 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.060 -10.355 8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.398 -11.674 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.932 -10.585 10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.741 -13.605 9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.338 -12.578 11.260 1.00 0.00 H new ATOM 124 N PRO A 9 8.151 -12.456 8.998 1.00 0.00 N ATOM 125 CA PRO A 9 7.133 -13.331 8.421 1.00 0.00 C ATOM 126 C PRO A 9 7.488 -13.762 7.001 1.00 0.00 C ATOM 127 O PRO A 9 8.287 -13.109 6.319 1.00 0.00 O ATOM 128 CB PRO A 9 5.878 -12.454 8.405 1.00 0.00 C ATOM 129 CG PRO A 9 6.398 -11.065 8.303 1.00 0.00 C ATOM 130 CD PRO A 9 7.690 -11.048 9.071 1.00 0.00 C ATOM 0 HA PRO A 9 7.019 -14.255 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.233 -12.699 7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.286 -12.591 9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.559 -10.784 7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.687 -10.351 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.413 -10.365 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.541 -10.727 10.102 1.00 0.00 H new ATOM 138 N ILE A 10 6.938 -14.854 6.576 1.00 0.00 N ATOM 139 CA ILE A 10 7.120 -15.346 5.234 1.00 0.00 C ATOM 140 C ILE A 10 5.773 -15.287 4.555 1.00 0.00 C ATOM 141 O ILE A 10 4.827 -15.929 5.005 1.00 0.00 O ATOM 142 CB ILE A 10 7.626 -16.819 5.233 1.00 0.00 C ATOM 143 CG1 ILE A 10 8.921 -16.962 6.053 1.00 0.00 C ATOM 144 CG2 ILE A 10 7.819 -17.342 3.811 1.00 0.00 C ATOM 145 CD1 ILE A 10 10.057 -16.078 5.589 1.00 0.00 C ATOM 0 H ILE A 10 6.339 -15.443 7.155 1.00 0.00 H new ATOM 0 HA ILE A 10 7.864 -14.740 4.718 1.00 0.00 H new ATOM 0 HB ILE A 10 6.858 -17.429 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.703 -16.734 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.247 -18.001 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.173 -18.372 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.870 -17.303 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.553 -16.725 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.929 -16.243 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.308 -16.320 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.755 -15.033 5.654 1.00 0.00 H new ATOM 157 N CYS A 11 5.664 -14.509 3.531 1.00 0.00 N ATOM 158 CA CYS A 11 4.405 -14.364 2.868 1.00 0.00 C ATOM 159 C CYS A 11 4.385 -15.073 1.542 1.00 0.00 C ATOM 160 O CYS A 11 5.415 -15.177 0.831 1.00 0.00 O ATOM 161 CB CYS A 11 4.011 -12.900 2.732 1.00 0.00 C ATOM 162 SG CYS A 11 3.858 -12.028 4.335 1.00 0.00 S ATOM 0 H CYS A 11 6.428 -13.963 3.133 1.00 0.00 H new ATOM 0 HA CYS A 11 3.654 -14.844 3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.753 -12.388 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.061 -12.836 2.201 1.00 0.00 H new ATOM 310 N CYS A 22 2.735 -9.045 -1.681 1.00 0.00 N ATOM 311 CA CYS A 22 4.098 -8.805 -1.443 1.00 0.00 C ATOM 312 C CYS A 22 4.346 -8.304 -0.060 1.00 0.00 C ATOM 313 O CYS A 22 3.632 -7.434 0.446 1.00 0.00 O ATOM 314 CB CYS A 22 4.666 -7.880 -2.474 1.00 0.00 C ATOM 315 SG CYS A 22 5.027 -8.679 -4.062 1.00 0.00 S ATOM 0 HA CYS A 22 4.616 -9.760 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.964 -7.063 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.583 -7.437 -2.085 1.00 0.00 H new ATOM 320 N GLN A 23 5.332 -8.859 0.559 1.00 0.00 N ATOM 321 CA GLN A 23 5.685 -8.473 1.875 1.00 0.00 C ATOM 322 C GLN A 23 6.886 -7.549 1.847 1.00 0.00 C ATOM 323 O GLN A 23 8.038 -7.960 1.631 1.00 0.00 O ATOM 324 CB GLN A 23 5.937 -9.686 2.747 1.00 0.00 C ATOM 325 CG GLN A 23 7.002 -10.619 2.201 1.00 0.00 C ATOM 326 CD GLN A 23 7.388 -11.713 3.155 1.00 0.00 C ATOM 327 OE1 GLN A 23 7.748 -12.813 2.748 1.00 0.00 O ATOM 328 NE2 GLN A 23 7.365 -11.422 4.418 1.00 0.00 N ATOM 0 H GLN A 23 5.916 -9.595 0.162 1.00 0.00 H new ATOM 0 HA GLN A 23 4.850 -7.927 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.234 -9.352 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.005 -10.240 2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.641 -11.066 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.889 -10.037 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.060 -10.498 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.652 -12.117 5.107 1.00 0.00 H new ATOM 337 N ILE A 24 6.620 -6.323 1.979 1.00 0.00 N ATOM 338 CA ILE A 24 7.658 -5.354 2.036 1.00 0.00 C ATOM 339 C ILE A 24 7.585 -4.765 3.411 1.00 0.00 C ATOM 340 O ILE A 24 6.489 -4.445 3.878 1.00 0.00 O ATOM 341 CB ILE A 24 7.521 -4.197 0.976 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.182 -4.699 -0.443 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.814 -3.406 0.896 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.740 -5.063 -0.670 1.00 0.00 C ATOM 0 H ILE A 24 5.676 -5.943 2.053 1.00 0.00 H new ATOM 0 HA ILE A 24 8.606 -5.842 1.811 1.00 0.00 H new ATOM 0 HB ILE A 24 6.693 -3.577 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.462 -3.927 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.798 -5.572 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.708 -2.609 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.036 -2.973 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.628 -4.068 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.608 -5.403 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.454 -5.860 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.112 -4.190 -0.494 1.00 0.00 H new ATOM 356 N ARG A 25 8.698 -4.661 4.075 1.00 0.00 N ATOM 357 CA ARG A 25 8.723 -4.112 5.398 1.00 0.00 C ATOM 358 C ARG A 25 8.400 -2.616 5.329 1.00 0.00 C ATOM 359 O ARG A 25 9.115 -1.839 4.696 1.00 0.00 O ATOM 360 CB ARG A 25 10.080 -4.398 6.074 1.00 0.00 C ATOM 361 CG ARG A 25 11.269 -3.838 5.326 1.00 0.00 C ATOM 362 CD ARG A 25 12.585 -4.249 5.933 1.00 0.00 C ATOM 363 NE ARG A 25 13.704 -3.818 5.087 1.00 0.00 N ATOM 364 CZ ARG A 25 14.976 -3.673 5.481 1.00 0.00 C ATOM 365 NH1 ARG A 25 15.320 -3.896 6.749 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.904 -3.316 4.599 1.00 0.00 N ATOM 0 H ARG A 25 9.608 -4.952 3.718 1.00 0.00 H new ATOM 0 HA ARG A 25 7.963 -4.588 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.068 -3.981 7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.203 -5.476 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.231 -4.173 4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.204 -2.750 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.685 -3.812 6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.612 -5.332 6.056 1.00 0.00 H new ATOM 0 HE ARG A 25 13.494 -3.610 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.613 -4.179 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.291 -3.784 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.647 -3.153 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.874 -3.205 4.896 1.00 0.00 H new ATOM 380 N ILE A 26 7.316 -2.219 5.962 1.00 0.00 N ATOM 381 CA ILE A 26 6.850 -0.829 5.913 1.00 0.00 C ATOM 382 C ILE A 26 7.819 0.115 6.586 1.00 0.00 C ATOM 383 O ILE A 26 7.799 1.321 6.353 1.00 0.00 O ATOM 384 CB ILE A 26 5.399 -0.645 6.479 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.230 -1.144 7.939 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.387 -1.317 5.579 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.770 -0.219 9.018 1.00 0.00 C ATOM 0 H ILE A 26 6.730 -2.837 6.523 1.00 0.00 H new ATOM 0 HA ILE A 26 6.807 -0.570 4.855 1.00 0.00 H new ATOM 0 HB ILE A 26 5.220 0.430 6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.169 -1.310 8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.726 -2.110 8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.387 -1.178 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.436 -0.876 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.608 -2.382 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.600 -0.665 9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.839 -0.070 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.259 0.742 8.963 1.00 0.00 H new ATOM 399 N GLN A 27 8.705 -0.456 7.375 1.00 0.00 N ATOM 400 CA GLN A 27 9.669 0.308 8.117 1.00 0.00 C ATOM 401 C GLN A 27 10.761 0.812 7.195 1.00 0.00 C ATOM 402 O GLN A 27 11.497 1.733 7.536 1.00 0.00 O ATOM 403 CB GLN A 27 10.260 -0.526 9.253 1.00 0.00 C ATOM 404 CG GLN A 27 11.047 -1.750 8.791 1.00 0.00 C ATOM 405 CD GLN A 27 11.618 -2.574 9.933 1.00 0.00 C ATOM 406 OE1 GLN A 27 11.974 -1.937 11.013 1.00 0.00 O flip ATOM 407 NE2 GLN A 27 11.750 -3.792 9.824 1.00 0.00 N flip ATOM 0 H GLN A 27 8.772 -1.464 7.516 1.00 0.00 H new ATOM 0 HA GLN A 27 9.165 1.168 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.915 0.108 9.851 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.451 -0.854 9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.397 -2.383 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.863 -1.424 8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.462 -4.261 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.148 -4.333 10.592 1.00 0.00 H new ATOM 416 N GLN A 28 10.855 0.222 6.008 1.00 0.00 N ATOM 417 CA GLN A 28 11.867 0.649 5.086 1.00 0.00 C ATOM 418 C GLN A 28 11.319 1.776 4.226 1.00 0.00 C ATOM 419 O GLN A 28 12.062 2.555 3.641 1.00 0.00 O ATOM 420 CB GLN A 28 12.374 -0.491 4.208 1.00 0.00 C ATOM 421 CG GLN A 28 11.506 -0.844 3.029 1.00 0.00 C ATOM 422 CD GLN A 28 12.190 -1.805 2.112 1.00 0.00 C ATOM 423 OE1 GLN A 28 12.988 -2.634 2.541 1.00 0.00 O ATOM 424 NE2 GLN A 28 11.924 -1.679 0.851 1.00 0.00 N ATOM 0 H GLN A 28 10.253 -0.533 5.679 1.00 0.00 H new ATOM 0 HA GLN A 28 12.720 1.002 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.366 -0.228 3.840 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.490 -1.379 4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.571 -1.279 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.249 0.063 2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.254 -0.976 0.539 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.385 -2.282 0.170 1.00 0.00 H new ATOM 433 N LEU A 29 9.996 1.870 4.177 1.00 0.00 N ATOM 434 CA LEU A 29 9.344 2.900 3.398 1.00 0.00 C ATOM 435 C LEU A 29 9.130 4.114 4.211 1.00 0.00 C ATOM 436 O LEU A 29 8.605 5.103 3.710 1.00 0.00 O ATOM 437 CB LEU A 29 8.009 2.474 2.798 1.00 0.00 C ATOM 438 CG LEU A 29 8.022 1.470 1.659 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.107 1.811 0.645 1.00 0.00 C ATOM 440 CD2 LEU A 29 8.123 0.052 2.163 1.00 0.00 C ATOM 0 H LEU A 29 9.359 1.243 4.669 1.00 0.00 H new ATOM 0 HA LEU A 29 10.023 3.102 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.400 2.058 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.501 3.371 2.445 1.00 0.00 H new ATOM 0 HG LEU A 29 7.066 1.538 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.096 1.077 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.922 2.804 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.080 1.797 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.129 -0.635 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.044 -0.067 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.269 -0.168 2.803 1.00 0.00 H new ATOM 452 N ASN A 30 9.553 4.045 5.464 1.00 0.00 N ATOM 453 CA ASN A 30 9.457 5.155 6.395 1.00 0.00 C ATOM 454 C ASN A 30 10.022 6.426 5.791 1.00 0.00 C ATOM 455 O ASN A 30 9.442 7.484 5.955 1.00 0.00 O ATOM 456 CB ASN A 30 10.153 4.821 7.734 1.00 0.00 C ATOM 457 CG ASN A 30 10.213 6.004 8.702 1.00 0.00 C ATOM 458 OD1 ASN A 30 9.281 6.248 9.466 1.00 0.00 O ATOM 459 ND2 ASN A 30 11.318 6.717 8.710 1.00 0.00 N ATOM 0 H ASN A 30 9.976 3.208 5.865 1.00 0.00 H new ATOM 0 HA ASN A 30 8.400 5.324 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.625 3.996 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.167 4.476 7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.418 7.495 9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.075 6.492 8.065 1.00 0.00 H new ATOM 466 N HIS A 31 11.111 6.301 5.019 1.00 0.00 N ATOM 467 CA HIS A 31 11.731 7.472 4.412 1.00 0.00 C ATOM 468 C HIS A 31 10.784 8.066 3.377 1.00 0.00 C ATOM 469 O HIS A 31 10.459 9.234 3.454 1.00 0.00 O ATOM 470 CB HIS A 31 13.086 7.145 3.755 1.00 0.00 C ATOM 471 CG HIS A 31 13.977 8.356 3.580 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.286 8.410 4.001 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.726 9.567 3.015 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.773 9.607 3.692 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.869 10.352 3.090 1.00 0.00 N ATOM 0 H HIS A 31 11.569 5.415 4.807 1.00 0.00 H new ATOM 0 HA HIS A 31 11.924 8.193 5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.607 6.405 4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.909 6.690 2.781 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.795 7.660 4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.786 9.870 2.577 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.781 9.928 3.907 1.00 0.00 H new ATOM 483 N CYS A 32 10.318 7.239 2.446 1.00 0.00 N ATOM 484 CA CYS A 32 9.388 7.681 1.394 1.00 0.00 C ATOM 485 C CYS A 32 8.129 8.257 2.003 1.00 0.00 C ATOM 486 O CYS A 32 7.747 9.381 1.701 1.00 0.00 O ATOM 487 CB CYS A 32 9.053 6.536 0.419 1.00 0.00 C ATOM 488 SG CYS A 32 9.830 6.638 -1.220 1.00 0.00 S ATOM 0 H CYS A 32 10.567 6.251 2.393 1.00 0.00 H new ATOM 0 HA CYS A 32 9.883 8.465 0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.347 5.593 0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.972 6.503 0.286 1.00 0.00 H new ATOM 493 N GLN A 33 7.530 7.497 2.890 1.00 0.00 N ATOM 494 CA GLN A 33 6.361 7.885 3.625 1.00 0.00 C ATOM 495 C GLN A 33 6.533 9.268 4.273 1.00 0.00 C ATOM 496 O GLN A 33 5.716 10.167 4.058 1.00 0.00 O ATOM 497 CB GLN A 33 6.111 6.828 4.681 1.00 0.00 C ATOM 498 CG GLN A 33 5.149 7.238 5.743 1.00 0.00 C ATOM 499 CD GLN A 33 5.092 6.266 6.897 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.084 5.617 7.225 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.956 6.158 7.531 1.00 0.00 N ATOM 0 H GLN A 33 7.859 6.560 3.124 1.00 0.00 H new ATOM 0 HA GLN A 33 5.510 7.961 2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.736 5.927 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.060 6.566 5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.429 8.222 6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.155 7.334 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.152 6.710 7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.873 5.521 8.323 1.00 0.00 H new ATOM 510 N MET A 34 7.616 9.449 5.017 1.00 0.00 N ATOM 511 CA MET A 34 7.831 10.703 5.709 1.00 0.00 C ATOM 512 C MET A 34 8.184 11.810 4.750 1.00 0.00 C ATOM 513 O MET A 34 7.668 12.899 4.870 1.00 0.00 O ATOM 514 CB MET A 34 8.879 10.602 6.842 1.00 0.00 C ATOM 515 CG MET A 34 10.319 10.335 6.408 1.00 0.00 C ATOM 516 SD MET A 34 11.451 10.092 7.799 1.00 0.00 S ATOM 517 CE MET A 34 11.355 11.691 8.605 1.00 0.00 C ATOM 0 H MET A 34 8.347 8.751 5.153 1.00 0.00 H new ATOM 0 HA MET A 34 6.881 10.947 6.184 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.859 11.532 7.410 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.573 9.807 7.522 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.341 9.451 5.771 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.670 11.172 5.804 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.170 11.787 9.322 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.435 12.481 7.858 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.402 11.779 9.126 1.00 0.00 H new ATOM 527 N HIS A 35 9.010 11.518 3.770 1.00 0.00 N ATOM 528 CA HIS A 35 9.471 12.546 2.843 1.00 0.00 C ATOM 529 C HIS A 35 8.345 13.056 1.952 1.00 0.00 C ATOM 530 O HIS A 35 8.408 14.168 1.423 1.00 0.00 O ATOM 531 CB HIS A 35 10.731 12.115 2.021 1.00 0.00 C ATOM 532 CG HIS A 35 10.561 11.289 0.758 1.00 0.00 C ATOM 533 ND1 HIS A 35 9.874 11.707 -0.365 1.00 0.00 N ATOM 534 CD2 HIS A 35 11.103 10.103 0.423 1.00 0.00 C ATOM 535 CE1 HIS A 35 10.026 10.780 -1.311 1.00 0.00 C ATOM 536 NE2 HIS A 35 10.765 9.789 -0.882 1.00 0.00 N ATOM 0 H HIS A 35 9.379 10.584 3.589 1.00 0.00 H new ATOM 0 HA HIS A 35 9.795 13.384 3.460 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.266 13.024 1.746 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.381 11.553 2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.709 9.490 1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.596 10.839 -2.300 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.037 8.955 -1.403 1.00 0.00 H new ATOM 544 N LEU A 36 7.343 12.237 1.763 1.00 0.00 N ATOM 545 CA LEU A 36 6.186 12.640 1.001 1.00 0.00 C ATOM 546 C LEU A 36 5.192 13.417 1.851 1.00 0.00 C ATOM 547 O LEU A 36 4.627 14.396 1.402 1.00 0.00 O ATOM 548 CB LEU A 36 5.484 11.449 0.363 1.00 0.00 C ATOM 549 CG LEU A 36 6.290 10.655 -0.662 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.527 9.426 -1.093 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.632 11.514 -1.865 1.00 0.00 C ATOM 0 H LEU A 36 7.303 11.285 2.126 1.00 0.00 H new ATOM 0 HA LEU A 36 6.556 13.292 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.176 10.768 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.575 11.807 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 36 7.222 10.341 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.115 8.871 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.335 8.794 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.579 9.725 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.206 10.926 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.713 11.863 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.223 12.372 -1.543 1.00 0.00 H new ATOM 563 N THR A 37 4.979 12.999 3.070 1.00 0.00 N ATOM 564 CA THR A 37 3.963 13.656 3.870 1.00 0.00 C ATOM 565 C THR A 37 4.472 14.920 4.556 1.00 0.00 C ATOM 566 O THR A 37 3.688 15.805 4.948 1.00 0.00 O ATOM 567 CB THR A 37 3.394 12.690 4.907 1.00 0.00 C ATOM 568 OG1 THR A 37 4.456 12.163 5.728 1.00 0.00 O ATOM 569 CG2 THR A 37 2.709 11.543 4.223 1.00 0.00 C ATOM 0 H THR A 37 5.474 12.232 3.526 1.00 0.00 H new ATOM 0 HA THR A 37 3.175 13.962 3.182 1.00 0.00 H new ATOM 0 HB THR A 37 2.680 13.234 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.185 11.297 6.097 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.307 10.860 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.896 11.922 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.426 11.013 3.596 1.00 0.00 H new ATOM 577 N SER A 38 5.754 15.006 4.696 1.00 0.00 N ATOM 578 CA SER A 38 6.354 16.100 5.405 1.00 0.00 C ATOM 579 C SER A 38 6.698 17.273 4.505 1.00 0.00 C ATOM 580 O SER A 38 7.457 17.126 3.542 1.00 0.00 O ATOM 581 CB SER A 38 7.588 15.633 6.161 1.00 0.00 C ATOM 582 OG SER A 38 7.278 14.513 6.984 1.00 0.00 O ATOM 0 H SER A 38 6.417 14.325 4.326 1.00 0.00 H new ATOM 0 HA SER A 38 5.608 16.457 6.115 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.374 15.366 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.974 16.446 6.775 1.00 0.00 H new ATOM 0 HG SER A 38 7.336 13.691 6.453 1.00 0.00 H new ATOM 588 N PHE A 39 6.153 18.413 4.798 1.00 0.00 N ATOM 589 CA PHE A 39 6.590 19.620 4.161 1.00 0.00 C ATOM 590 C PHE A 39 7.490 20.298 5.156 1.00 0.00 C ATOM 591 O PHE A 39 7.024 20.921 6.114 1.00 0.00 O ATOM 592 CB PHE A 39 5.417 20.514 3.743 1.00 0.00 C ATOM 593 CG PHE A 39 4.544 19.887 2.694 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.913 19.929 1.358 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.364 19.250 3.037 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.123 19.349 0.388 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.570 18.670 2.071 1.00 0.00 C ATOM 598 CZ PHE A 39 2.952 18.719 0.744 1.00 0.00 C ATOM 0 H PHE A 39 5.402 18.535 5.477 1.00 0.00 H new ATOM 0 HA PHE A 39 7.116 19.406 3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.813 20.744 4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.805 21.460 3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.831 20.422 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.062 19.207 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.422 19.389 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.650 18.178 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.332 18.263 -0.014 1.00 0.00 H new ATOM 865 N HIS A 55 16.252 11.697 -1.747 1.00 0.00 N ATOM 866 CA HIS A 55 15.474 10.722 -1.037 1.00 0.00 C ATOM 867 C HIS A 55 14.897 9.676 -1.960 1.00 0.00 C ATOM 868 O HIS A 55 14.587 8.569 -1.534 1.00 0.00 O ATOM 869 CB HIS A 55 14.443 11.353 -0.075 1.00 0.00 C ATOM 870 CG HIS A 55 13.642 12.517 -0.605 1.00 0.00 C ATOM 871 ND1 HIS A 55 13.408 13.669 0.120 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.984 12.675 -1.769 1.00 0.00 C ATOM 873 CE1 HIS A 55 12.632 14.471 -0.608 1.00 0.00 C ATOM 874 NE2 HIS A 55 12.340 13.913 -1.770 1.00 0.00 N ATOM 0 HA HIS A 55 16.162 10.187 -0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.746 10.574 0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.971 11.683 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.959 11.957 -2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.288 15.445 -0.292 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.763 14.306 -2.514 1.00 0.00 H new ATOM 882 N LEU A 56 14.815 10.002 -3.238 1.00 0.00 N ATOM 883 CA LEU A 56 14.389 9.038 -4.224 1.00 0.00 C ATOM 884 C LEU A 56 15.512 8.053 -4.416 1.00 0.00 C ATOM 885 O LEU A 56 15.283 6.861 -4.402 1.00 0.00 O ATOM 886 CB LEU A 56 13.964 9.725 -5.557 1.00 0.00 C ATOM 887 CG LEU A 56 13.458 8.821 -6.733 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.593 8.085 -7.454 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.413 7.826 -6.242 1.00 0.00 C ATOM 0 H LEU A 56 15.038 10.925 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 56 13.500 8.512 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.175 10.440 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.817 10.298 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 56 13.002 9.493 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.179 7.476 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.290 8.811 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.118 7.444 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.077 7.210 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.850 7.189 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.563 8.367 -5.825 1.00 0.00 H new ATOM 901 N SER A 57 16.732 8.561 -4.542 1.00 0.00 N ATOM 902 CA SER A 57 17.916 7.738 -4.681 1.00 0.00 C ATOM 903 C SER A 57 18.074 6.783 -3.489 1.00 0.00 C ATOM 904 O SER A 57 18.655 5.707 -3.614 1.00 0.00 O ATOM 905 CB SER A 57 19.141 8.634 -4.853 1.00 0.00 C ATOM 906 OG SER A 57 18.980 9.479 -5.990 1.00 0.00 O ATOM 0 H SER A 57 16.923 9.563 -4.550 1.00 0.00 H new ATOM 0 HA SER A 57 17.814 7.115 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.285 9.240 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.035 8.021 -4.970 1.00 0.00 H new ATOM 0 HG SER A 57 19.771 10.049 -6.088 1.00 0.00 H new ATOM 912 N LEU A 58 17.539 7.180 -2.356 1.00 0.00 N ATOM 913 CA LEU A 58 17.534 6.344 -1.175 1.00 0.00 C ATOM 914 C LEU A 58 16.378 5.332 -1.242 1.00 0.00 C ATOM 915 O LEU A 58 16.596 4.124 -1.219 1.00 0.00 O ATOM 916 CB LEU A 58 17.405 7.230 0.064 1.00 0.00 C ATOM 917 CG LEU A 58 18.448 8.343 0.159 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.181 9.234 1.350 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.857 7.766 0.239 1.00 0.00 C ATOM 0 H LEU A 58 17.096 8.090 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 58 18.468 5.784 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.412 7.679 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.479 6.603 0.953 1.00 0.00 H new ATOM 0 HG LEU A 58 18.372 8.945 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.937 10.018 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.194 9.687 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.218 8.641 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.580 8.579 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.941 7.132 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.059 7.174 -0.653 1.00 0.00 H new ATOM 931 N CYS A 59 15.163 5.842 -1.395 1.00 0.00 N ATOM 932 CA CYS A 59 13.945 5.026 -1.403 1.00 0.00 C ATOM 933 C CYS A 59 13.921 4.018 -2.568 1.00 0.00 C ATOM 934 O CYS A 59 13.684 2.834 -2.353 1.00 0.00 O ATOM 935 CB CYS A 59 12.725 5.935 -1.448 1.00 0.00 C ATOM 936 SG CYS A 59 11.130 5.092 -1.264 1.00 0.00 S ATOM 0 H CYS A 59 14.988 6.839 -1.518 1.00 0.00 H new ATOM 0 HA CYS A 59 13.929 4.438 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.817 6.681 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.727 6.473 -2.396 1.00 0.00 H new ATOM 941 N CYS A 60 14.213 4.489 -3.787 1.00 0.00 N ATOM 942 CA CYS A 60 14.261 3.646 -4.992 1.00 0.00 C ATOM 943 C CYS A 60 15.290 2.540 -4.816 1.00 0.00 C ATOM 944 O CYS A 60 15.095 1.423 -5.260 1.00 0.00 O ATOM 945 CB CYS A 60 14.562 4.513 -6.245 1.00 0.00 C ATOM 946 SG CYS A 60 14.706 3.644 -7.864 1.00 0.00 S ATOM 0 H CYS A 60 14.424 5.470 -3.968 1.00 0.00 H new ATOM 0 HA CYS A 60 13.288 3.177 -5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.775 5.262 -6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.494 5.050 -6.067 1.00 0.00 H new ATOM 951 N ASN A 61 16.341 2.834 -4.080 1.00 0.00 N ATOM 952 CA ASN A 61 17.383 1.845 -3.840 1.00 0.00 C ATOM 953 C ASN A 61 16.925 0.838 -2.798 1.00 0.00 C ATOM 954 O ASN A 61 17.123 -0.366 -2.929 1.00 0.00 O ATOM 955 CB ASN A 61 18.670 2.516 -3.395 1.00 0.00 C ATOM 956 CG ASN A 61 19.817 1.527 -3.198 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.559 1.217 -4.133 1.00 0.00 O ATOM 958 ND2 ASN A 61 19.997 1.047 -1.993 1.00 0.00 N ATOM 0 H ASN A 61 16.500 3.740 -3.639 1.00 0.00 H new ATOM 0 HA ASN A 61 17.577 1.319 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.961 3.260 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.492 3.049 -2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.765 0.401 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.369 1.319 -1.237 1.00 0.00 H new ATOM 965 N GLN A 62 16.282 1.344 -1.790 1.00 0.00 N ATOM 966 CA GLN A 62 15.781 0.545 -0.697 1.00 0.00 C ATOM 967 C GLN A 62 14.686 -0.421 -1.174 1.00 0.00 C ATOM 968 O GLN A 62 14.606 -1.571 -0.718 1.00 0.00 O ATOM 969 CB GLN A 62 15.281 1.485 0.418 1.00 0.00 C ATOM 970 CG GLN A 62 14.745 0.827 1.688 1.00 0.00 C ATOM 971 CD GLN A 62 15.764 -0.023 2.435 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.651 -0.634 1.848 1.00 0.00 O ATOM 973 NE2 GLN A 62 15.681 -0.023 3.736 1.00 0.00 N ATOM 0 H GLN A 62 16.084 2.340 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 62 16.583 -0.076 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.102 2.145 0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.493 2.114 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.378 1.604 2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.891 0.202 1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.933 0.493 4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.364 -0.539 4.291 1.00 0.00 H new ATOM 982 N LEU A 63 13.879 0.034 -2.105 1.00 0.00 N ATOM 983 CA LEU A 63 12.799 -0.771 -2.627 1.00 0.00 C ATOM 984 C LEU A 63 13.304 -1.761 -3.663 1.00 0.00 C ATOM 985 O LEU A 63 12.780 -2.851 -3.776 1.00 0.00 O ATOM 986 CB LEU A 63 11.696 0.130 -3.220 1.00 0.00 C ATOM 987 CG LEU A 63 12.000 0.851 -4.525 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.681 -0.002 -5.713 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.271 2.151 -4.589 1.00 0.00 C ATOM 0 H LEU A 63 13.951 0.964 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 63 12.372 -1.343 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.808 -0.483 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.439 0.881 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 63 13.070 1.056 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.911 0.546 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.277 -0.914 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.622 -0.260 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.501 2.651 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.198 1.970 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.580 2.783 -3.757 1.00 0.00 H new ATOM 1001 N GLN A 64 14.323 -1.374 -4.418 1.00 0.00 N ATOM 1002 CA GLN A 64 14.800 -2.204 -5.509 1.00 0.00 C ATOM 1003 C GLN A 64 15.462 -3.475 -5.009 1.00 0.00 C ATOM 1004 O GLN A 64 15.515 -4.468 -5.732 1.00 0.00 O ATOM 1005 CB GLN A 64 15.715 -1.436 -6.458 1.00 0.00 C ATOM 1006 CG GLN A 64 17.049 -1.064 -5.867 1.00 0.00 C ATOM 1007 CD GLN A 64 17.974 -0.340 -6.835 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.784 0.493 -6.429 1.00 0.00 O ATOM 1009 NE2 GLN A 64 17.881 -0.646 -8.103 1.00 0.00 N ATOM 0 H GLN A 64 14.830 -0.498 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 64 13.920 -2.500 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.882 -2.039 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.206 -0.527 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.885 -0.431 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.544 -1.969 -5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.200 -1.340 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.489 -0.190 -8.784 1.00 0.00 H new ATOM 1018 N GLU A 65 15.941 -3.454 -3.765 1.00 0.00 N ATOM 1019 CA GLU A 65 16.533 -4.642 -3.175 1.00 0.00 C ATOM 1020 C GLU A 65 15.454 -5.686 -2.907 1.00 0.00 C ATOM 1021 O GLU A 65 15.733 -6.886 -2.813 1.00 0.00 O ATOM 1022 CB GLU A 65 17.278 -4.337 -1.883 1.00 0.00 C ATOM 1023 CG GLU A 65 18.397 -3.329 -2.023 1.00 0.00 C ATOM 1024 CD GLU A 65 19.231 -3.238 -0.778 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.472 -3.337 -0.872 1.00 0.00 O ATOM 1026 OE2 GLU A 65 18.667 -3.096 0.335 1.00 0.00 O ATOM 0 H GLU A 65 15.929 -2.635 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 65 17.258 -5.029 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.564 -3.968 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.691 -5.266 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 65 19.031 -3.606 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.976 -2.349 -2.250 1.00 0.00 H new ATOM 1033 N VAL A 66 14.225 -5.217 -2.789 1.00 0.00 N ATOM 1034 CA VAL A 66 13.079 -6.077 -2.580 1.00 0.00 C ATOM 1035 C VAL A 66 12.764 -6.771 -3.908 1.00 0.00 C ATOM 1036 O VAL A 66 13.206 -6.310 -4.966 1.00 0.00 O ATOM 1037 CB VAL A 66 11.839 -5.242 -2.112 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.665 -6.120 -1.698 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.218 -4.309 -0.985 1.00 0.00 C ATOM 0 H VAL A 66 13.995 -4.224 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 66 13.303 -6.810 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 66 11.514 -4.654 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.833 -5.490 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.355 -6.735 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.966 -6.764 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.343 -3.738 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.590 -4.890 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.995 -3.625 -1.325 1.00 0.00 H new ATOM 1049 N GLU A 67 12.072 -7.891 -3.826 1.00 0.00 N ATOM 1050 CA GLU A 67 11.622 -8.681 -4.964 1.00 0.00 C ATOM 1051 C GLU A 67 11.073 -7.805 -6.078 1.00 0.00 C ATOM 1052 O GLU A 67 10.351 -6.851 -5.814 1.00 0.00 O ATOM 1053 CB GLU A 67 10.554 -9.684 -4.520 1.00 0.00 C ATOM 1054 CG GLU A 67 11.052 -10.755 -3.569 1.00 0.00 C ATOM 1055 CD GLU A 67 11.233 -10.296 -2.111 1.00 0.00 C ATOM 1056 OE1 GLU A 67 12.258 -9.651 -1.783 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.364 -10.586 -1.266 1.00 0.00 O ATOM 0 H GLU A 67 11.795 -8.294 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 67 12.488 -9.216 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.740 -9.140 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.137 -10.167 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.352 -11.590 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.006 -11.131 -3.937 1.00 0.00 H new ATOM 1064 N LYS A 68 11.376 -8.171 -7.313 1.00 0.00 N ATOM 1065 CA LYS A 68 11.039 -7.343 -8.492 1.00 0.00 C ATOM 1066 C LYS A 68 9.547 -7.076 -8.623 1.00 0.00 C ATOM 1067 O LYS A 68 9.128 -6.003 -9.049 1.00 0.00 O ATOM 1068 CB LYS A 68 11.581 -7.952 -9.787 1.00 0.00 C ATOM 1069 CG LYS A 68 11.171 -9.394 -10.035 1.00 0.00 C ATOM 1070 CD LYS A 68 11.611 -9.874 -11.401 1.00 0.00 C ATOM 1071 CE LYS A 68 10.746 -9.313 -12.526 1.00 0.00 C ATOM 1072 NZ LYS A 68 9.362 -9.843 -12.495 1.00 0.00 N ATOM 0 H LYS A 68 11.858 -9.040 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 68 11.528 -6.383 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.244 -7.344 -10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.669 -7.897 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.606 -10.033 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.088 -9.484 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.649 -9.585 -11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.575 -10.963 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.717 -8.226 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.203 -9.554 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.888 -9.628 -13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.388 -10.873 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.838 -9.400 -11.713 1.00 0.00 H new ATOM 1086 N GLN A 69 8.762 -8.034 -8.207 1.00 0.00 N ATOM 1087 CA GLN A 69 7.311 -7.930 -8.264 1.00 0.00 C ATOM 1088 C GLN A 69 6.778 -7.137 -7.084 1.00 0.00 C ATOM 1089 O GLN A 69 5.631 -6.738 -7.060 1.00 0.00 O ATOM 1090 CB GLN A 69 6.689 -9.325 -8.254 1.00 0.00 C ATOM 1091 CG GLN A 69 7.225 -10.212 -7.136 1.00 0.00 C ATOM 1092 CD GLN A 69 6.468 -11.500 -6.988 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.784 -12.496 -7.633 1.00 0.00 O ATOM 1094 NE2 GLN A 69 5.506 -11.512 -6.106 1.00 0.00 N ATOM 0 H GLN A 69 9.102 -8.913 -7.817 1.00 0.00 H new ATOM 0 HA GLN A 69 7.044 -7.412 -9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.608 -9.233 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.877 -9.807 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.274 -10.435 -7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.184 -9.664 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.275 -10.662 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.985 -12.371 -5.931 1.00 0.00 H new ATOM 1103 N CYS A 70 7.631 -6.902 -6.127 1.00 0.00 N ATOM 1104 CA CYS A 70 7.236 -6.304 -4.884 1.00 0.00 C ATOM 1105 C CYS A 70 7.821 -4.910 -4.714 1.00 0.00 C ATOM 1106 O CYS A 70 7.462 -4.190 -3.793 1.00 0.00 O ATOM 1107 CB CYS A 70 7.675 -7.216 -3.764 1.00 0.00 C ATOM 1108 SG CYS A 70 7.038 -8.926 -3.947 1.00 0.00 S ATOM 0 H CYS A 70 8.625 -7.121 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 70 6.153 -6.185 -4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.764 -7.241 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.334 -6.806 -2.813 1.00 0.00 H new ATOM 1113 N GLN A 71 8.712 -4.534 -5.615 1.00 0.00 N ATOM 1114 CA GLN A 71 9.324 -3.201 -5.624 1.00 0.00 C ATOM 1115 C GLN A 71 8.254 -2.147 -5.793 1.00 0.00 C ATOM 1116 O GLN A 71 8.233 -1.138 -5.109 1.00 0.00 O ATOM 1117 CB GLN A 71 10.290 -3.100 -6.778 1.00 0.00 C ATOM 1118 CG GLN A 71 11.519 -3.960 -6.661 1.00 0.00 C ATOM 1119 CD GLN A 71 12.329 -3.951 -7.948 1.00 0.00 C ATOM 1120 OE1 GLN A 71 11.777 -3.773 -9.032 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.605 -4.192 -7.861 1.00 0.00 N ATOM 0 H GLN A 71 9.038 -5.141 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 71 9.849 -3.045 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.765 -3.367 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.602 -2.061 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.138 -3.603 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.228 -4.982 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.036 -4.336 -6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.174 -4.237 -8.706 1.00 0.00 H new ATOM 1130 N CYS A 72 7.346 -2.416 -6.688 1.00 0.00 N ATOM 1131 CA CYS A 72 6.259 -1.523 -6.950 1.00 0.00 C ATOM 1132 C CYS A 72 5.200 -1.632 -5.889 1.00 0.00 C ATOM 1133 O CYS A 72 4.476 -0.678 -5.615 1.00 0.00 O ATOM 1134 CB CYS A 72 5.697 -1.795 -8.315 1.00 0.00 C ATOM 1135 SG CYS A 72 5.485 -3.563 -8.710 1.00 0.00 S ATOM 0 H CYS A 72 7.341 -3.263 -7.256 1.00 0.00 H new ATOM 0 HA CYS A 72 6.632 -0.499 -6.926 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.730 -1.298 -8.401 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.354 -1.346 -9.060 1.00 0.00 H new ATOM 1140 N GLU A 73 5.148 -2.769 -5.258 1.00 0.00 N ATOM 1141 CA GLU A 73 4.189 -2.999 -4.217 1.00 0.00 C ATOM 1142 C GLU A 73 4.582 -2.247 -2.979 1.00 0.00 C ATOM 1143 O GLU A 73 3.733 -1.813 -2.207 1.00 0.00 O ATOM 1144 CB GLU A 73 4.048 -4.468 -3.935 1.00 0.00 C ATOM 1145 CG GLU A 73 3.609 -5.262 -5.161 1.00 0.00 C ATOM 1146 CD GLU A 73 2.272 -4.818 -5.748 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.338 -5.648 -5.806 1.00 0.00 O ATOM 1148 OE2 GLU A 73 2.121 -3.658 -6.171 1.00 0.00 O ATOM 0 H GLU A 73 5.765 -3.558 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 73 3.218 -2.632 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.000 -4.858 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.322 -4.612 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.377 -5.176 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.543 -6.316 -4.893 1.00 0.00 H new ATOM 1155 N ALA A 74 5.885 -2.053 -2.817 1.00 0.00 N ATOM 1156 CA ALA A 74 6.422 -1.287 -1.732 1.00 0.00 C ATOM 1157 C ALA A 74 5.865 0.122 -1.783 1.00 0.00 C ATOM 1158 O ALA A 74 5.579 0.721 -0.757 1.00 0.00 O ATOM 1159 CB ALA A 74 7.943 -1.249 -1.816 1.00 0.00 C ATOM 0 H ALA A 74 6.592 -2.431 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 74 6.137 -1.754 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.339 -0.664 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.336 -2.264 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.244 -0.791 -2.758 1.00 0.00 H new ATOM 1165 N ILE A 75 5.625 0.591 -3.005 1.00 0.00 N ATOM 1166 CA ILE A 75 5.154 1.937 -3.248 1.00 0.00 C ATOM 1167 C ILE A 75 3.718 2.076 -2.775 1.00 0.00 C ATOM 1168 O ILE A 75 3.316 3.119 -2.273 1.00 0.00 O ATOM 1169 CB ILE A 75 5.182 2.288 -4.756 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.510 1.889 -5.415 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.922 3.763 -4.951 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.739 2.465 -4.773 1.00 0.00 C ATOM 0 H ILE A 75 5.755 0.039 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 75 5.816 2.611 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 75 4.393 1.715 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.590 0.802 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.486 2.198 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.944 3.999 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.944 4.017 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.691 4.339 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.624 2.125 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.691 3.553 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.796 2.136 -3.736 1.00 0.00 H new ATOM 1184 N LYS A 76 2.970 0.987 -2.875 1.00 0.00 N ATOM 1185 CA LYS A 76 1.561 1.007 -2.554 1.00 0.00 C ATOM 1186 C LYS A 76 1.453 1.172 -1.063 1.00 0.00 C ATOM 1187 O LYS A 76 0.676 1.983 -0.553 1.00 0.00 O ATOM 1188 CB LYS A 76 0.901 -0.322 -2.971 1.00 0.00 C ATOM 1189 CG LYS A 76 1.251 -0.795 -4.383 1.00 0.00 C ATOM 1190 CD LYS A 76 0.777 0.159 -5.462 1.00 0.00 C ATOM 1191 CE LYS A 76 1.257 -0.285 -6.845 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.790 -1.642 -7.217 1.00 0.00 N ATOM 0 H LYS A 76 3.322 0.079 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 76 1.059 1.818 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.193 -1.095 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.181 -0.213 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.331 -0.916 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.807 -1.776 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.312 0.211 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.146 1.163 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.908 0.429 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.347 -0.263 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.908 -1.781 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.349 -2.354 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.214 -1.744 -6.967 1.00 0.00 H new ATOM 1206 N GLN A 77 2.344 0.464 -0.383 1.00 0.00 N ATOM 1207 CA GLN A 77 2.394 0.442 1.056 1.00 0.00 C ATOM 1208 C GLN A 77 2.725 1.806 1.577 1.00 0.00 C ATOM 1209 O GLN A 77 2.188 2.212 2.612 1.00 0.00 O ATOM 1210 CB GLN A 77 3.437 -0.525 1.566 1.00 0.00 C ATOM 1211 CG GLN A 77 3.416 -1.879 0.907 1.00 0.00 C ATOM 1212 CD GLN A 77 4.096 -2.926 1.753 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.736 -4.101 1.716 1.00 0.00 O ATOM 1214 NE2 GLN A 77 5.078 -2.525 2.516 1.00 0.00 N ATOM 0 H GLN A 77 3.056 -0.115 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 77 1.413 0.122 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.423 -0.082 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.297 -0.656 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.384 -2.176 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.910 -1.819 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.351 -1.542 2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.572 -3.195 3.106 1.00 0.00 H new ATOM 1223 N VAL A 78 3.608 2.515 0.841 1.00 0.00 N ATOM 1224 CA VAL A 78 4.003 3.872 1.191 1.00 0.00 C ATOM 1225 C VAL A 78 2.767 4.725 1.271 1.00 0.00 C ATOM 1226 O VAL A 78 2.563 5.431 2.238 1.00 0.00 O ATOM 1227 CB VAL A 78 4.929 4.547 0.136 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.370 5.908 0.619 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.127 3.711 -0.190 1.00 0.00 C ATOM 0 H VAL A 78 4.056 2.156 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 78 4.546 3.797 2.133 1.00 0.00 H new ATOM 0 HB VAL A 78 4.345 4.653 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.017 6.368 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.495 6.538 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.917 5.802 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.740 4.226 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.712 3.546 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.802 2.751 -0.592 1.00 0.00 H new ATOM 1239 N VAL A 79 1.914 4.597 0.260 1.00 0.00 N ATOM 1240 CA VAL A 79 0.726 5.411 0.164 1.00 0.00 C ATOM 1241 C VAL A 79 -0.188 5.097 1.323 1.00 0.00 C ATOM 1242 O VAL A 79 -0.648 5.997 2.016 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.034 5.179 -1.166 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.217 6.131 -1.286 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.900 5.320 -2.358 1.00 0.00 C ATOM 0 H VAL A 79 2.032 3.931 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 79 1.036 6.456 0.191 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.420 4.159 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.736 5.950 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.903 5.965 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.860 7.160 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.342 5.152 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.327 6.323 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.702 4.586 -2.281 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.378 3.813 1.563 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.242 3.331 2.621 1.00 0.00 C ATOM 1257 C GLU A 80 -0.811 3.860 4.002 1.00 0.00 C ATOM 1258 O GLU A 80 -1.616 4.431 4.723 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.300 1.806 2.621 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.869 1.197 1.346 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.940 -0.309 1.412 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -0.984 -0.995 0.979 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.943 -0.845 1.927 1.00 0.00 O ATOM 0 H GLU A 80 0.067 3.070 1.024 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.242 3.716 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.294 1.416 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.904 1.478 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.867 1.598 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.251 1.492 0.498 1.00 0.00 H new ATOM 1270 N GLN A 81 0.459 3.721 4.335 1.00 0.00 N ATOM 1271 CA GLN A 81 0.957 4.168 5.644 1.00 0.00 C ATOM 1272 C GLN A 81 1.058 5.701 5.719 1.00 0.00 C ATOM 1273 O GLN A 81 0.921 6.296 6.796 1.00 0.00 O ATOM 1274 CB GLN A 81 2.302 3.505 5.976 1.00 0.00 C ATOM 1275 CG GLN A 81 3.404 3.782 4.971 1.00 0.00 C ATOM 1276 CD GLN A 81 4.672 3.001 5.236 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.384 2.650 4.317 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.977 2.748 6.484 1.00 0.00 N ATOM 0 H GLN A 81 1.168 3.307 3.730 1.00 0.00 H new ATOM 0 HA GLN A 81 0.233 3.854 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.629 3.847 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.154 2.427 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.042 3.543 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.634 4.847 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.357 3.057 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.834 2.242 6.707 1.00 0.00 H new ATOM 1287 N ALA A 82 1.269 6.337 4.592 1.00 0.00 N ATOM 1288 CA ALA A 82 1.378 7.782 4.547 1.00 0.00 C ATOM 1289 C ALA A 82 0.007 8.442 4.678 1.00 0.00 C ATOM 1290 O ALA A 82 -0.144 9.458 5.354 1.00 0.00 O ATOM 1291 CB ALA A 82 2.078 8.230 3.276 1.00 0.00 C ATOM 0 H ALA A 82 1.370 5.877 3.687 1.00 0.00 H new ATOM 0 HA ALA A 82 1.982 8.100 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.149 9.318 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.079 7.801 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.509 7.893 2.409 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.994 7.849 4.060 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.339 8.393 4.118 1.00 0.00 C ATOM 1299 C GLN A 83 -2.917 8.201 5.512 1.00 0.00 C ATOM 1300 O GLN A 83 -3.543 9.098 6.056 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.260 7.771 3.028 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.516 6.273 3.186 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.236 5.637 2.014 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.109 6.074 0.870 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.961 4.577 2.277 1.00 0.00 N ATOM 0 H GLN A 83 -0.904 6.993 3.513 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.285 9.461 3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.217 8.292 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.813 7.948 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.562 5.766 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.103 6.110 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.045 4.242 3.237 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.441 4.087 1.522 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.620 7.058 6.120 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.164 6.722 7.425 1.00 0.00 C ATOM 1316 C LYS A 84 -2.535 7.558 8.528 1.00 0.00 C ATOM 1317 O LYS A 84 -3.192 7.881 9.511 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.067 5.193 7.695 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.651 4.630 7.765 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.068 4.652 9.158 1.00 0.00 C ATOM 1321 CE LYS A 84 -1.654 3.556 10.032 1.00 0.00 C ATOM 1322 NZ LYS A 84 -1.358 2.195 9.516 1.00 0.00 N ATOM 0 H LYS A 84 -2.003 6.348 5.726 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.225 6.974 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.574 4.974 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.611 4.667 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.657 3.604 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.006 5.204 7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.014 4.532 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.258 5.623 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.258 3.652 11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.734 3.688 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.451 1.503 10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.028 1.959 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.388 2.169 9.143 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.278 7.946 8.346 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.583 8.720 9.363 1.00 0.00 C ATOM 1338 C GLN A 85 -1.086 10.177 9.370 1.00 0.00 C ATOM 1339 O GLN A 85 -1.128 10.833 10.411 1.00 0.00 O ATOM 1340 CB GLN A 85 0.943 8.654 9.155 1.00 0.00 C ATOM 1341 CG GLN A 85 1.457 9.476 7.980 1.00 0.00 C ATOM 1342 CD GLN A 85 2.962 9.446 7.789 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.449 9.556 6.678 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.705 9.335 8.850 1.00 0.00 N ATOM 0 H GLN A 85 -0.726 7.740 7.513 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.801 8.285 10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.436 8.996 10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.232 7.613 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.982 9.115 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.143 10.511 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.272 9.244 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.721 9.339 8.764 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.485 10.658 8.205 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.977 12.021 8.060 1.00 0.00 C ATOM 1355 C LEU A 86 -3.462 12.128 8.353 1.00 0.00 C ATOM 1356 O LEU A 86 -3.917 13.096 8.986 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.626 12.571 6.669 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.412 13.501 6.597 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.719 14.788 7.305 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.817 12.867 7.214 1.00 0.00 C ATOM 0 H LEU A 86 -1.478 10.121 7.338 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.475 12.638 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.452 11.728 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.493 13.108 6.284 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.201 13.692 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.147 15.448 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.573 15.271 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.955 14.582 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.657 13.558 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.622 12.639 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.058 11.947 6.681 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.201 11.116 7.947 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.647 11.063 8.122 1.00 0.00 C ATOM 1374 C GLN A 87 -6.032 11.125 9.598 1.00 0.00 C ATOM 1375 O GLN A 87 -7.023 11.754 9.965 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.172 9.785 7.495 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.670 9.636 7.505 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.092 8.370 6.823 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.225 7.324 7.456 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.260 8.435 5.536 1.00 0.00 N ATOM 0 H GLN A 87 -3.815 10.295 7.480 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.092 11.929 7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.825 9.736 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.735 8.935 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.032 9.636 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.127 10.491 7.006 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.140 9.324 5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.512 7.597 5.012 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.219 10.510 10.436 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.470 10.470 11.875 1.00 0.00 C ATOM 1391 C GLN A 88 -4.966 11.737 12.560 1.00 0.00 C ATOM 1392 O GLN A 88 -5.119 11.912 13.777 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.799 9.251 12.490 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.285 9.245 12.361 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.651 7.998 12.919 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.294 7.934 14.098 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -2.513 6.999 12.097 1.00 0.00 N ATOM 0 H GLN A 88 -4.370 10.025 10.147 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.548 10.406 12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.063 9.198 13.546 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.197 8.353 12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.015 9.344 11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.879 10.115 12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.820 7.089 11.129 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.098 6.126 12.421 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.353 12.591 11.787 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.823 13.823 12.303 1.00 0.00 C ATOM 1408 C GLY A 89 -4.823 14.941 12.204 1.00 0.00 C ATOM 1409 O GLY A 89 -5.374 15.391 13.213 1.00 0.00 O ATOM 0 H GLY A 89 -4.207 12.454 10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.531 13.686 13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.921 14.091 11.752 1.00 0.00 H new ATOM 1413 N GLN A 90 -5.072 15.385 11.001 1.00 0.00 N ATOM 1414 CA GLN A 90 -6.018 16.457 10.760 1.00 0.00 C ATOM 1415 C GLN A 90 -6.659 16.299 9.378 1.00 0.00 C ATOM 1416 O GLN A 90 -7.850 16.557 9.187 1.00 0.00 O ATOM 1417 CB GLN A 90 -5.326 17.846 10.900 1.00 0.00 C ATOM 1418 CG GLN A 90 -4.298 18.225 9.807 1.00 0.00 C ATOM 1419 CD GLN A 90 -3.112 17.281 9.709 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -3.153 16.297 8.975 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -2.069 17.559 10.423 1.00 0.00 N ATOM 0 H GLN A 90 -4.629 15.019 10.158 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.806 16.400 11.511 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.101 18.612 10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.823 17.879 11.866 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.805 18.254 8.842 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.930 19.232 10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.067 18.384 11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.249 16.953 10.386 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.863 15.868 8.444 1.00 0.00 N ATOM 1431 CA GLY A 91 -6.262 15.680 7.095 1.00 0.00 C ATOM 1432 C GLY A 91 -5.026 15.514 6.294 1.00 0.00 C ATOM 1433 O GLY A 91 -4.511 14.411 6.180 1.00 0.00 O ATOM 0 H GLY A 91 -4.886 15.632 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.902 14.803 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.838 16.535 6.741 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.539 16.605 5.737 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.276 16.621 5.050 1.00 0.00 C ATOM 1439 C GLY A 92 -3.294 15.993 3.695 1.00 0.00 C ATOM 1440 O GLY A 92 -2.573 16.422 2.837 1.00 0.00 O ATOM 0 H GLY A 92 -5.016 17.507 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.944 17.655 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.537 16.106 5.664 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.125 15.005 3.508 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.253 14.254 2.268 1.00 0.00 C ATOM 1446 C GLN A 93 -4.355 15.174 1.039 1.00 0.00 C ATOM 1447 O GLN A 93 -3.805 14.866 -0.012 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.467 13.340 2.349 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.421 12.305 3.466 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.674 11.436 3.513 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.091 10.979 4.576 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.268 11.183 2.379 1.00 0.00 N ATOM 0 H GLN A 93 -4.760 14.681 4.237 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.350 13.657 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.358 13.955 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.576 12.820 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.547 11.668 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.300 12.813 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.901 11.575 1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.100 10.593 2.359 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.013 16.317 1.201 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.149 17.292 0.124 1.00 0.00 C ATOM 1463 C GLN A 94 -3.835 18.059 -0.134 1.00 0.00 C ATOM 1464 O GLN A 94 -3.448 18.266 -1.283 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.282 18.281 0.406 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.127 19.031 1.715 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.126 20.155 1.873 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.539 20.779 0.896 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -7.538 20.412 3.075 1.00 0.00 N ATOM 0 H GLN A 94 -5.463 16.592 2.074 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.392 16.726 -0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.335 19.001 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.229 17.741 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.241 18.332 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.118 19.438 1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.176 19.876 3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.224 21.150 3.232 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.144 18.458 0.928 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.912 19.217 0.785 1.00 0.00 C ATOM 1480 C GLN A 95 -0.772 18.294 0.398 1.00 0.00 C ATOM 1481 O GLN A 95 0.003 18.577 -0.519 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.573 20.030 2.053 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.409 19.220 3.311 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.049 20.047 4.525 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.922 20.526 5.243 1.00 0.00 O ATOM 1486 NE2 GLN A 95 0.231 20.207 4.772 1.00 0.00 N ATOM 0 H GLN A 95 -3.416 18.268 1.893 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.061 19.943 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.651 20.584 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.361 20.766 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.337 18.683 3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.635 18.470 3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.926 19.793 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.530 20.745 5.585 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.719 17.176 1.077 1.00 0.00 N ATOM 1496 CA VAL A 96 0.249 16.120 0.857 1.00 0.00 C ATOM 1497 C VAL A 96 0.061 15.508 -0.527 1.00 0.00 C ATOM 1498 O VAL A 96 1.001 14.954 -1.078 1.00 0.00 O ATOM 1499 CB VAL A 96 0.130 15.021 1.969 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.051 13.850 1.722 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.399 15.613 3.347 1.00 0.00 C ATOM 0 H VAL A 96 -1.374 16.964 1.830 1.00 0.00 H new ATOM 0 HA VAL A 96 1.249 16.551 0.911 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.894 14.648 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.930 13.117 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.805 13.389 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.084 14.197 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.311 14.832 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.405 16.031 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.326 16.400 3.553 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.154 15.650 -1.093 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.494 15.094 -2.418 1.00 0.00 C ATOM 1513 C GLN A 97 -0.415 15.370 -3.458 1.00 0.00 C ATOM 1514 O GLN A 97 0.022 14.460 -4.134 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.828 15.629 -2.928 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.225 15.083 -4.295 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.495 15.693 -4.814 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.597 15.179 -4.593 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -4.368 16.793 -5.489 1.00 0.00 N ATOM 0 H GLN A 97 -1.923 16.150 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.570 14.016 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.608 15.382 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.777 16.716 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.420 15.271 -5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.346 14.002 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.442 17.188 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.195 17.264 -5.857 1.00 0.00 H new ATOM 1528 N GLN A 98 0.072 16.610 -3.510 1.00 0.00 N ATOM 1529 CA GLN A 98 1.066 17.013 -4.516 1.00 0.00 C ATOM 1530 C GLN A 98 2.397 16.277 -4.333 1.00 0.00 C ATOM 1531 O GLN A 98 3.220 16.227 -5.242 1.00 0.00 O ATOM 1532 CB GLN A 98 1.298 18.529 -4.519 1.00 0.00 C ATOM 1533 CG GLN A 98 1.988 19.055 -3.277 1.00 0.00 C ATOM 1534 CD GLN A 98 2.219 20.553 -3.319 1.00 0.00 C ATOM 1535 OE1 GLN A 98 1.442 21.308 -3.907 1.00 0.00 O ATOM 1536 NE2 GLN A 98 3.290 20.994 -2.718 1.00 0.00 N ATOM 0 H GLN A 98 -0.203 17.355 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 98 0.651 16.731 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.896 18.792 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.337 19.032 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.386 18.810 -2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.946 18.548 -3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.912 20.342 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.505 21.991 -2.726 1.00 0.00 H new ATOM 1545 N MET A 99 2.606 15.717 -3.170 1.00 0.00 N ATOM 1546 CA MET A 99 3.837 15.042 -2.887 1.00 0.00 C ATOM 1547 C MET A 99 3.627 13.565 -3.000 1.00 0.00 C ATOM 1548 O MET A 99 4.369 12.881 -3.672 1.00 0.00 O ATOM 1549 CB MET A 99 4.328 15.387 -1.499 1.00 0.00 C ATOM 1550 CG MET A 99 5.818 15.233 -1.327 1.00 0.00 C ATOM 1551 SD MET A 99 6.784 16.266 -2.443 1.00 0.00 S ATOM 1552 CE MET A 99 8.451 15.823 -1.942 1.00 0.00 C ATOM 0 H MET A 99 1.934 15.717 -2.403 1.00 0.00 H new ATOM 0 HA MET A 99 4.590 15.363 -3.606 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.049 16.416 -1.270 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.820 14.750 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.084 15.477 -0.298 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.088 14.189 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.171 16.380 -2.541 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.591 16.066 -0.889 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.604 14.754 -2.091 1.00 0.00 H new ATOM 1562 N VAL A 100 2.593 13.085 -2.361 1.00 0.00 N ATOM 1563 CA VAL A 100 2.264 11.662 -2.388 1.00 0.00 C ATOM 1564 C VAL A 100 1.922 11.177 -3.819 1.00 0.00 C ATOM 1565 O VAL A 100 2.084 10.007 -4.145 1.00 0.00 O ATOM 1566 CB VAL A 100 1.152 11.277 -1.361 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.160 11.957 -1.666 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.975 9.776 -1.282 1.00 0.00 C ATOM 0 H VAL A 100 1.952 13.654 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 100 3.164 11.134 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 100 1.484 11.633 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.904 11.660 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.026 13.038 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.499 11.664 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.194 9.539 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.691 9.391 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.912 9.315 -0.968 1.00 0.00 H new ATOM 1578 N LYS A 101 1.493 12.091 -4.681 1.00 0.00 N ATOM 1579 CA LYS A 101 1.229 11.755 -6.077 1.00 0.00 C ATOM 1580 C LYS A 101 2.522 11.357 -6.787 1.00 0.00 C ATOM 1581 O LYS A 101 2.506 10.633 -7.767 1.00 0.00 O ATOM 1582 CB LYS A 101 0.497 12.905 -6.793 1.00 0.00 C ATOM 1583 CG LYS A 101 1.268 14.215 -6.971 1.00 0.00 C ATOM 1584 CD LYS A 101 2.136 14.234 -8.222 1.00 0.00 C ATOM 1585 CE LYS A 101 2.806 15.584 -8.397 1.00 0.00 C ATOM 1586 NZ LYS A 101 3.496 15.708 -9.695 1.00 0.00 N ATOM 0 H LYS A 101 1.321 13.067 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 101 0.564 10.892 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.196 12.553 -7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.416 13.122 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.560 15.043 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.898 14.380 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.894 13.454 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.525 14.011 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.057 16.372 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.524 15.737 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.247 16.424 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.915 14.792 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.813 15.995 -10.425 1.00 0.00 H new ATOM 1600 N LYS A 102 3.648 11.811 -6.253 1.00 0.00 N ATOM 1601 CA LYS A 102 4.945 11.448 -6.775 1.00 0.00 C ATOM 1602 C LYS A 102 5.213 9.979 -6.539 1.00 0.00 C ATOM 1603 O LYS A 102 5.926 9.358 -7.295 1.00 0.00 O ATOM 1604 CB LYS A 102 6.021 12.294 -6.142 1.00 0.00 C ATOM 1605 CG LYS A 102 6.014 13.742 -6.602 1.00 0.00 C ATOM 1606 CD LYS A 102 6.753 14.638 -5.624 1.00 0.00 C ATOM 1607 CE LYS A 102 8.154 14.148 -5.306 1.00 0.00 C ATOM 1608 NZ LYS A 102 9.063 14.172 -6.473 1.00 0.00 N ATOM 0 H LYS A 102 3.681 12.438 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 102 4.953 11.631 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.902 12.266 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.994 11.856 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.477 13.815 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.985 14.087 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.812 15.645 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.180 14.706 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.576 14.766 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.096 13.130 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.002 13.826 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.681 13.561 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.146 15.146 -6.828 1.00 0.00 H new ATOM 1622 N ALA A 103 4.590 9.413 -5.506 1.00 0.00 N ATOM 1623 CA ALA A 103 4.714 7.980 -5.233 1.00 0.00 C ATOM 1624 C ALA A 103 4.066 7.199 -6.358 1.00 0.00 C ATOM 1625 O ALA A 103 4.541 6.159 -6.757 1.00 0.00 O ATOM 1626 CB ALA A 103 4.081 7.608 -3.901 1.00 0.00 C ATOM 0 H ALA A 103 3.998 9.920 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 103 5.773 7.730 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.192 6.537 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.575 8.155 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.022 7.865 -3.917 1.00 0.00 H new ATOM 1632 N GLN A 104 3.032 7.773 -6.930 1.00 0.00 N ATOM 1633 CA GLN A 104 2.316 7.165 -8.039 1.00 0.00 C ATOM 1634 C GLN A 104 3.211 7.181 -9.290 1.00 0.00 C ATOM 1635 O GLN A 104 3.035 6.410 -10.226 1.00 0.00 O ATOM 1636 CB GLN A 104 1.020 7.946 -8.283 1.00 0.00 C ATOM 1637 CG GLN A 104 0.100 8.003 -7.061 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.465 6.649 -6.675 1.00 0.00 C ATOM 1639 OE1 GLN A 104 0.129 5.910 -5.897 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.627 6.337 -7.177 1.00 0.00 N ATOM 0 H GLN A 104 2.659 8.678 -6.642 1.00 0.00 H new ATOM 0 HA GLN A 104 2.064 6.130 -7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.270 8.962 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.481 7.489 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.654 8.413 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.723 8.688 -7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.092 6.976 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.071 5.454 -6.925 1.00 0.00 H new ATOM 1649 N MET A 105 4.200 8.052 -9.262 1.00 0.00 N ATOM 1650 CA MET A 105 5.144 8.195 -10.348 1.00 0.00 C ATOM 1651 C MET A 105 6.352 7.308 -10.107 1.00 0.00 C ATOM 1652 O MET A 105 7.073 6.982 -11.038 1.00 0.00 O ATOM 1653 CB MET A 105 5.626 9.619 -10.453 1.00 0.00 C ATOM 1654 CG MET A 105 4.507 10.640 -10.434 1.00 0.00 C ATOM 1655 SD MET A 105 5.085 12.349 -10.582 1.00 0.00 S ATOM 1656 CE MET A 105 5.887 12.304 -12.192 1.00 0.00 C ATOM 0 H MET A 105 4.371 8.684 -8.479 1.00 0.00 H new ATOM 0 HA MET A 105 4.637 7.908 -11.269 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.308 9.825 -9.628 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.196 9.734 -11.375 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.817 10.426 -11.250 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.945 10.534 -9.506 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.008 13.320 -12.567 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.865 11.833 -12.098 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.274 11.731 -12.888 1.00 0.00 H new ATOM 1666 N LEU A 106 6.544 6.896 -8.863 1.00 0.00 N ATOM 1667 CA LEU A 106 7.701 6.089 -8.450 1.00 0.00 C ATOM 1668 C LEU A 106 7.893 4.813 -9.266 1.00 0.00 C ATOM 1669 O LEU A 106 9.010 4.541 -9.672 1.00 0.00 O ATOM 1670 CB LEU A 106 7.730 5.801 -6.939 1.00 0.00 C ATOM 1671 CG LEU A 106 8.770 6.586 -6.112 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.585 8.085 -6.239 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.720 6.167 -4.655 1.00 0.00 C ATOM 0 H LEU A 106 5.901 7.109 -8.100 1.00 0.00 H new ATOM 0 HA LEU A 106 8.560 6.722 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.741 6.011 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.914 4.736 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 106 9.753 6.344 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.339 8.597 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.691 8.378 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.592 8.360 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.461 6.732 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.727 6.366 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.937 5.102 -4.575 1.00 0.00 H new ATOM 1685 N PRO A 107 6.834 3.998 -9.549 1.00 0.00 N ATOM 1686 CA PRO A 107 6.995 2.824 -10.397 1.00 0.00 C ATOM 1687 C PRO A 107 7.459 3.179 -11.805 1.00 0.00 C ATOM 1688 O PRO A 107 8.067 2.360 -12.476 1.00 0.00 O ATOM 1689 CB PRO A 107 5.613 2.165 -10.422 1.00 0.00 C ATOM 1690 CG PRO A 107 4.671 3.210 -9.947 1.00 0.00 C ATOM 1691 CD PRO A 107 5.451 4.091 -9.023 1.00 0.00 C ATOM 0 HA PRO A 107 7.767 2.161 -10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.355 1.831 -11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.584 1.287 -9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.271 3.782 -10.784 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.821 2.762 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.083 5.117 -9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.389 3.746 -7.991 1.00 0.00 H new ATOM 1699 N ASN A 108 7.227 4.408 -12.224 1.00 0.00 N ATOM 1700 CA ASN A 108 7.612 4.833 -13.515 1.00 0.00 C ATOM 1701 C ASN A 108 9.059 5.326 -13.449 1.00 0.00 C ATOM 1702 O ASN A 108 9.900 4.954 -14.259 1.00 0.00 O ATOM 1703 CB ASN A 108 6.699 5.970 -13.961 1.00 0.00 C ATOM 1704 CG ASN A 108 5.204 5.661 -13.923 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.555 6.043 -12.854 1.00 0.00 O flip ATOM 1706 ND2 ASN A 108 4.635 5.120 -14.862 1.00 0.00 N flip ATOM 0 H ASN A 108 6.765 5.124 -11.664 1.00 0.00 H new ATOM 0 HA ASN A 108 7.532 4.011 -14.227 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.890 6.837 -13.328 1.00 0.00 H new ATOM 0 HB3 ASN A 108 6.969 6.253 -14.979 1.00 0.00 H new ATOM 0 HD21 ASN A 108 5.167 4.832 -15.683 1.00 0.00 H new ATOM 0 HD22 ASN A 108 3.629 4.957 -14.823 1.00 0.00 H new ATOM 1713 N GLN A 109 9.343 6.119 -12.419 1.00 0.00 N ATOM 1714 CA GLN A 109 10.659 6.731 -12.203 1.00 0.00 C ATOM 1715 C GLN A 109 11.719 5.704 -11.821 1.00 0.00 C ATOM 1716 O GLN A 109 12.825 5.728 -12.325 1.00 0.00 O ATOM 1717 CB GLN A 109 10.579 7.797 -11.106 1.00 0.00 C ATOM 1718 CG GLN A 109 9.716 8.999 -11.447 1.00 0.00 C ATOM 1719 CD GLN A 109 10.240 9.760 -12.640 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.858 9.500 -13.784 1.00 0.00 O ATOM 1721 NE2 GLN A 109 11.123 10.687 -12.400 1.00 0.00 N ATOM 0 H GLN A 109 8.660 6.360 -11.700 1.00 0.00 H new ATOM 0 HA GLN A 109 10.952 7.187 -13.149 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.191 7.335 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.588 8.144 -10.882 1.00 0.00 H new ATOM 0 HG2 GLN A 109 8.698 8.667 -11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.669 9.666 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.416 10.876 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.521 11.224 -13.170 1.00 0.00 H new ATOM 1730 N CYS A 110 11.362 4.800 -10.945 1.00 0.00 N ATOM 1731 CA CYS A 110 12.296 3.801 -10.435 1.00 0.00 C ATOM 1732 C CYS A 110 12.319 2.595 -11.381 1.00 0.00 C ATOM 1733 O CYS A 110 13.048 1.632 -11.160 1.00 0.00 O ATOM 1734 CB CYS A 110 11.860 3.386 -9.018 1.00 0.00 C ATOM 1735 SG CYS A 110 13.079 2.438 -8.019 1.00 0.00 S ATOM 0 H CYS A 110 10.421 4.727 -10.559 1.00 0.00 H new ATOM 0 HA CYS A 110 13.304 4.214 -10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.597 4.288 -8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 110 10.953 2.788 -9.103 1.00 0.00 H new ATOM 1740 N ASN A 111 11.497 2.680 -12.441 1.00 0.00 N ATOM 1741 CA ASN A 111 11.390 1.653 -13.487 1.00 0.00 C ATOM 1742 C ASN A 111 11.028 0.312 -12.864 1.00 0.00 C ATOM 1743 O ASN A 111 11.788 -0.667 -12.882 1.00 0.00 O ATOM 1744 CB ASN A 111 12.674 1.586 -14.345 1.00 0.00 C ATOM 1745 CG ASN A 111 12.577 0.643 -15.538 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.915 -0.536 -15.450 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.135 1.155 -16.656 1.00 0.00 N ATOM 0 H ASN A 111 10.880 3.477 -12.596 1.00 0.00 H new ATOM 0 HA ASN A 111 10.586 1.925 -14.171 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.910 2.587 -14.705 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.504 1.271 -13.713 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.062 0.572 -17.490 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.863 2.137 -16.695 1.00 0.00 H new ATOM 1754 N LEU A 112 9.903 0.326 -12.215 1.00 0.00 N ATOM 1755 CA LEU A 112 9.394 -0.828 -11.532 1.00 0.00 C ATOM 1756 C LEU A 112 8.394 -1.553 -12.400 1.00 0.00 C ATOM 1757 O LEU A 112 7.771 -0.952 -13.276 1.00 0.00 O ATOM 1758 CB LEU A 112 8.781 -0.407 -10.197 1.00 0.00 C ATOM 1759 CG LEU A 112 9.724 0.426 -9.324 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.090 0.833 -7.993 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.044 -0.305 -9.122 1.00 0.00 C ATOM 0 H LEU A 112 9.304 1.149 -12.143 1.00 0.00 H new ATOM 0 HA LEU A 112 10.211 -1.520 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.874 0.167 -10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.483 -1.299 -9.646 1.00 0.00 H new ATOM 0 HG LEU A 112 9.924 1.356 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.803 1.421 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.197 1.429 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.818 -0.061 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.703 0.300 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.859 -1.261 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.516 -0.478 -10.089 1.00 0.00 H new ATOM 1773 N GLN A 113 8.211 -2.819 -12.111 1.00 0.00 N ATOM 1774 CA GLN A 113 7.391 -3.754 -12.904 1.00 0.00 C ATOM 1775 C GLN A 113 5.902 -3.590 -12.640 1.00 0.00 C ATOM 1776 O GLN A 113 5.165 -4.562 -12.564 1.00 0.00 O ATOM 1777 CB GLN A 113 7.832 -5.164 -12.545 1.00 0.00 C ATOM 1778 CG GLN A 113 9.312 -5.378 -12.750 1.00 0.00 C ATOM 1779 CD GLN A 113 9.724 -5.409 -14.220 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.091 -4.801 -15.077 1.00 0.00 O ATOM 1781 NE2 GLN A 113 10.803 -6.063 -14.516 1.00 0.00 N ATOM 0 H GLN A 113 8.635 -3.258 -11.294 1.00 0.00 H new ATOM 0 HA GLN A 113 7.540 -3.546 -13.964 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.580 -5.366 -11.504 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.277 -5.880 -13.152 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.860 -4.583 -12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.604 -6.316 -12.279 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.313 -6.561 -13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.142 -6.079 -15.478 1.00 0.00 H new ATOM 1790 N CYS A 114 5.478 -2.378 -12.589 1.00 0.00 N ATOM 1791 CA CYS A 114 4.132 -2.012 -12.284 1.00 0.00 C ATOM 1792 C CYS A 114 3.889 -0.636 -12.863 1.00 0.00 C ATOM 1793 O CYS A 114 4.850 0.112 -13.094 1.00 0.00 O ATOM 1794 CB CYS A 114 3.966 -1.967 -10.778 1.00 0.00 C ATOM 1795 SG CYS A 114 3.844 -3.567 -9.894 1.00 0.00 S ATOM 0 H CYS A 114 6.083 -1.576 -12.766 1.00 0.00 H new ATOM 0 HA CYS A 114 3.426 -2.730 -12.701 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.810 -1.416 -10.363 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.068 -1.390 -10.555 1.00 0.00 H new ATOM 1800 N SER A 115 2.656 -0.295 -13.111 1.00 0.00 N ATOM 1801 CA SER A 115 2.333 0.984 -13.681 1.00 0.00 C ATOM 1802 C SER A 115 1.129 1.589 -12.976 1.00 0.00 C ATOM 1803 O SER A 115 0.204 0.868 -12.583 1.00 0.00 O ATOM 1804 CB SER A 115 2.038 0.812 -15.166 1.00 0.00 C ATOM 1805 OG SER A 115 3.116 0.152 -15.820 1.00 0.00 O ATOM 0 H SER A 115 1.850 -0.892 -12.925 1.00 0.00 H new ATOM 0 HA SER A 115 3.180 1.658 -13.554 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.121 0.237 -15.295 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.870 1.787 -15.624 1.00 0.00 H new ATOM 0 HG SER A 115 2.907 0.049 -16.772 1.00 0.00 H new ATOM 1811 N ILE A 116 1.172 2.881 -12.764 1.00 0.00 N ATOM 1812 CA ILE A 116 0.069 3.600 -12.196 1.00 0.00 C ATOM 1813 C ILE A 116 -0.525 4.447 -13.291 1.00 0.00 C ATOM 1814 O ILE A 116 0.155 5.380 -13.763 1.00 0.00 O ATOM 1815 CB ILE A 116 0.499 4.498 -11.011 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.147 3.666 -9.896 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.694 5.287 -10.466 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.220 2.687 -9.203 1.00 0.00 C ATOM 1819 OXT ILE A 116 -1.656 4.184 -13.704 1.00 0.00 O ATOM 0 H ILE A 116 1.980 3.463 -12.984 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.655 2.889 -11.799 1.00 0.00 H new ATOM 0 HB ILE A 116 1.240 5.206 -11.381 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.986 3.112 -10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.557 4.345 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.368 5.911 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.103 5.918 -11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.461 4.594 -10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.771 2.148 -8.432 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.607 3.230 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.172 1.978 -9.932 1.00 0.00 H new