USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 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 31 HIS : no HE2:sc= -0.12 K(o=-0.51,f=-1.5) USER MOD Set 1.2: A 35 HIS : no HE2:sc= -0.0608 K(o=-0.51,f=-2.2!) USER MOD Set 1.3: A 55 HIS : no HD1:sc= -0.33 K(o=-0.51,f=-5) USER MOD Set 1.4: A 99 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 THR OG1 : rot -166:sc= 1.22 USER MOD Set 2.2: A 85 GLN : amide:sc= -0.598! C(o=0.63!,f=-4.3!) USER MOD Set 3.1: A 28 GLN : amide:sc= -1.02 K(o=-2,f=-4.4!) USER MOD Set 3.2: A 62 GLN : amide:sc= -0.977 K(o=-2,f=-4.3) USER MOD Set 4.1: A 4 THR OG1 : rot 96:sc= 2.16 USER MOD Set 4.2: A 6 SER OG : rot 95:sc= 1.03 USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -1.19 (180deg=-1.95!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 27 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.96) USER MOD Single : A 30 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.17) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.931 F(o=-3.4!,f=-0.93) USER MOD Single : A 34 MET CE :methyl 157:sc= 0 (180deg=-0.411) USER MOD Single : A 38 SER OG : rot -72:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.3 K(o=-2.3,f=-3.3!) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.0677 (180deg=-0.321) USER MOD Single : A 77 GLN : amide:sc= -0.0816 K(o=-0.082,f=-3.1!) USER MOD Single : A 81 GLN : amide:sc= -5.19! C(o=-5.2!,f=-7.9!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.483 F(o=-1.6,f=-0.48) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.54) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00386) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 105 MET CE :methyl -138:sc= -1.65 (180deg=-1.87) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.58) USER MOD Single : A 111 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.82) USER MOD Single : A 113 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 10.726 -19.182 -1.752 1.00 0.00 N ATOM 35 CA CYS A 3 10.722 -20.477 -2.370 1.00 0.00 C ATOM 36 C CYS A 3 12.065 -20.767 -2.988 1.00 0.00 C ATOM 37 O CYS A 3 12.809 -19.850 -3.345 1.00 0.00 O ATOM 38 CB CYS A 3 9.612 -20.562 -3.429 1.00 0.00 C ATOM 39 SG CYS A 3 7.907 -20.209 -2.814 1.00 0.00 S ATOM 0 HA CYS A 3 10.525 -21.227 -1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.843 -19.861 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.624 -21.561 -3.865 1.00 0.00 H new ATOM 44 N THR A 4 12.398 -22.019 -3.064 1.00 0.00 N ATOM 45 CA THR A 4 13.627 -22.450 -3.650 1.00 0.00 C ATOM 46 C THR A 4 13.529 -22.456 -5.176 1.00 0.00 C ATOM 47 O THR A 4 12.415 -22.480 -5.752 1.00 0.00 O ATOM 48 CB THR A 4 13.951 -23.866 -3.167 1.00 0.00 C ATOM 49 OG1 THR A 4 12.828 -24.719 -3.443 1.00 0.00 O ATOM 50 CG2 THR A 4 14.252 -23.877 -1.674 1.00 0.00 C ATOM 0 H THR A 4 11.815 -22.780 -2.715 1.00 0.00 H new ATOM 0 HA THR A 4 14.414 -21.758 -3.350 1.00 0.00 H new ATOM 0 HB THR A 4 14.835 -24.226 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.976 -25.191 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.479 -24.895 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.108 -23.234 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.384 -23.510 -1.125 1.00 0.00 H new ATOM 58 N LYS A 5 14.669 -22.459 -5.833 1.00 0.00 N ATOM 59 CA LYS A 5 14.706 -22.523 -7.273 1.00 0.00 C ATOM 60 C LYS A 5 14.705 -23.976 -7.711 1.00 0.00 C ATOM 61 O LYS A 5 15.705 -24.506 -8.205 1.00 0.00 O ATOM 62 CB LYS A 5 15.898 -21.754 -7.898 1.00 0.00 C ATOM 63 CG LYS A 5 15.896 -20.234 -7.675 1.00 0.00 C ATOM 64 CD LYS A 5 16.282 -19.812 -6.254 1.00 0.00 C ATOM 65 CE LYS A 5 17.803 -19.805 -5.993 1.00 0.00 C ATOM 66 NZ LYS A 5 18.477 -21.122 -6.166 1.00 0.00 N ATOM 0 H LYS A 5 15.586 -22.418 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 5 13.812 -22.021 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.824 -22.162 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.909 -21.946 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.587 -19.773 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.903 -19.845 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.886 -18.815 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.805 -20.487 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.269 -19.084 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.981 -19.454 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.386 -21.116 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.872 -21.875 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.644 -21.296 -7.178 1.00 0.00 H new ATOM 80 N SER A 6 13.610 -24.622 -7.444 1.00 0.00 N ATOM 81 CA SER A 6 13.417 -25.988 -7.779 1.00 0.00 C ATOM 82 C SER A 6 12.013 -26.139 -8.300 1.00 0.00 C ATOM 83 O SER A 6 11.174 -25.247 -8.076 1.00 0.00 O ATOM 84 CB SER A 6 13.627 -26.863 -6.529 1.00 0.00 C ATOM 85 OG SER A 6 12.753 -26.469 -5.464 1.00 0.00 O ATOM 0 H SER A 6 12.810 -24.197 -6.975 1.00 0.00 H new ATOM 0 HA SER A 6 14.132 -26.306 -8.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.449 -27.909 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.663 -26.787 -6.199 1.00 0.00 H new ATOM 0 HG SER A 6 11.944 -27.022 -5.483 1.00 0.00 H new ATOM 91 N ILE A 7 11.763 -27.195 -9.019 1.00 0.00 N ATOM 92 CA ILE A 7 10.443 -27.509 -9.515 1.00 0.00 C ATOM 93 C ILE A 7 10.115 -28.959 -9.134 1.00 0.00 C ATOM 94 O ILE A 7 10.783 -29.884 -9.611 1.00 0.00 O ATOM 95 CB ILE A 7 10.344 -27.311 -11.064 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.605 -25.835 -11.449 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.988 -27.780 -11.604 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.574 -24.847 -10.930 1.00 0.00 C ATOM 0 H ILE A 7 12.476 -27.875 -9.284 1.00 0.00 H new ATOM 0 HA ILE A 7 9.721 -26.828 -9.064 1.00 0.00 H new ATOM 0 HB ILE A 7 11.116 -27.928 -11.524 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.586 -25.545 -11.074 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.644 -25.760 -12.536 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.954 -27.628 -12.683 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.855 -28.839 -11.382 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.190 -27.207 -11.131 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.842 -23.840 -11.250 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.592 -25.105 -11.326 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.548 -24.886 -9.841 1.00 0.00 H new ATOM 110 N PRO A 8 9.134 -29.194 -8.240 1.00 0.00 N ATOM 111 CA PRO A 8 8.355 -28.131 -7.583 1.00 0.00 C ATOM 112 C PRO A 8 9.183 -27.370 -6.521 1.00 0.00 C ATOM 113 O PRO A 8 10.179 -27.899 -5.984 1.00 0.00 O ATOM 114 CB PRO A 8 7.203 -28.899 -6.923 1.00 0.00 C ATOM 115 CG PRO A 8 7.742 -30.262 -6.684 1.00 0.00 C ATOM 116 CD PRO A 8 8.704 -30.537 -7.806 1.00 0.00 C ATOM 0 HA PRO A 8 8.027 -27.365 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.896 -28.426 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.326 -28.928 -7.569 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.244 -30.318 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.940 -31.000 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.549 -31.138 -7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.226 -31.085 -8.618 1.00 0.00 H new ATOM 124 N PRO A 9 8.829 -26.121 -6.242 1.00 0.00 N ATOM 125 CA PRO A 9 9.561 -25.302 -5.295 1.00 0.00 C ATOM 126 C PRO A 9 9.262 -25.660 -3.838 1.00 0.00 C ATOM 127 O PRO A 9 8.170 -26.153 -3.499 1.00 0.00 O ATOM 128 CB PRO A 9 9.066 -23.894 -5.594 1.00 0.00 C ATOM 129 CG PRO A 9 7.684 -24.090 -6.095 1.00 0.00 C ATOM 130 CD PRO A 9 7.696 -25.388 -6.843 1.00 0.00 C ATOM 0 HA PRO A 9 10.637 -25.435 -5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.080 -23.269 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.693 -23.402 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.971 -24.121 -5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.384 -23.268 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.758 -25.930 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.840 -25.234 -7.912 1.00 0.00 H new ATOM 138 N ILE A 10 10.230 -25.437 -3.000 1.00 0.00 N ATOM 139 CA ILE A 10 10.092 -25.610 -1.585 1.00 0.00 C ATOM 140 C ILE A 10 9.835 -24.229 -1.028 1.00 0.00 C ATOM 141 O ILE A 10 10.699 -23.353 -1.136 1.00 0.00 O ATOM 142 CB ILE A 10 11.407 -26.173 -0.965 1.00 0.00 C ATOM 143 CG1 ILE A 10 11.839 -27.487 -1.654 1.00 0.00 C ATOM 144 CG2 ILE A 10 11.289 -26.352 0.541 1.00 0.00 C ATOM 145 CD1 ILE A 10 10.799 -28.586 -1.633 1.00 0.00 C ATOM 0 H ILE A 10 11.157 -25.123 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 10 9.290 -26.312 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 10 12.188 -25.434 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.097 -27.270 -2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.745 -27.854 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.226 -26.746 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.076 -25.390 1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.481 -27.049 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.191 -29.468 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.557 -28.838 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.899 -28.245 -2.144 1.00 0.00 H new ATOM 157 N CYS A 11 8.665 -24.001 -0.510 1.00 0.00 N ATOM 158 CA CYS A 11 8.334 -22.693 -0.021 1.00 0.00 C ATOM 159 C CYS A 11 8.316 -22.642 1.490 1.00 0.00 C ATOM 160 O CYS A 11 7.861 -23.578 2.167 1.00 0.00 O ATOM 161 CB CYS A 11 7.029 -22.181 -0.633 1.00 0.00 C ATOM 162 SG CYS A 11 7.082 -22.040 -2.467 1.00 0.00 S ATOM 0 H CYS A 11 7.927 -24.698 -0.415 1.00 0.00 H new ATOM 0 HA CYS A 11 9.125 -22.016 -0.343 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.218 -22.852 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.797 -21.204 -0.208 1.00 0.00 H new ATOM 310 N CYS A 22 2.526 -9.220 -1.463 1.00 0.00 N ATOM 311 CA CYS A 22 3.924 -9.123 -1.213 1.00 0.00 C ATOM 312 C CYS A 22 4.073 -8.478 0.128 1.00 0.00 C ATOM 313 O CYS A 22 3.356 -7.502 0.428 1.00 0.00 O ATOM 314 CB CYS A 22 4.619 -8.264 -2.272 1.00 0.00 C ATOM 315 SG CYS A 22 4.945 -9.076 -3.868 1.00 0.00 S ATOM 0 HA CYS A 22 4.382 -10.112 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.007 -7.381 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.568 -7.915 -1.864 1.00 0.00 H new ATOM 320 N GLN A 23 4.896 -9.015 0.972 1.00 0.00 N ATOM 321 CA GLN A 23 5.086 -8.375 2.218 1.00 0.00 C ATOM 322 C GLN A 23 6.364 -7.593 2.170 1.00 0.00 C ATOM 323 O GLN A 23 7.455 -8.142 2.030 1.00 0.00 O ATOM 324 CB GLN A 23 5.011 -9.328 3.421 1.00 0.00 C ATOM 325 CG GLN A 23 6.134 -10.334 3.541 1.00 0.00 C ATOM 326 CD GLN A 23 5.984 -11.211 4.761 1.00 0.00 C ATOM 327 OE1 GLN A 23 5.395 -10.805 5.763 1.00 0.00 O ATOM 328 NE2 GLN A 23 6.546 -12.383 4.721 1.00 0.00 N ATOM 0 H GLN A 23 5.430 -9.871 0.821 1.00 0.00 H new ATOM 0 HA GLN A 23 4.254 -7.690 2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.987 -8.730 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.067 -9.871 3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.158 -10.958 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.088 -9.808 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.026 -12.690 3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.506 -12.996 5.536 1.00 0.00 H new ATOM 337 N ILE A 24 6.228 -6.331 2.166 1.00 0.00 N ATOM 338 CA ILE A 24 7.354 -5.467 2.154 1.00 0.00 C ATOM 339 C ILE A 24 7.356 -4.795 3.478 1.00 0.00 C ATOM 340 O ILE A 24 6.286 -4.439 3.995 1.00 0.00 O ATOM 341 CB ILE A 24 7.322 -4.388 1.005 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.055 -5.004 -0.379 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.634 -3.634 0.940 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.610 -5.294 -0.674 1.00 0.00 C ATOM 0 H ILE A 24 5.327 -5.853 2.171 1.00 0.00 H new ATOM 0 HA ILE A 24 8.254 -6.052 1.964 1.00 0.00 H new ATOM 0 HB ILE A 24 6.502 -3.713 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.438 -4.326 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.621 -5.932 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.590 -2.895 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.812 -3.130 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.446 -4.334 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.522 -5.726 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.223 -5.998 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.036 -4.368 -0.627 1.00 0.00 H new ATOM 356 N ARG A 25 8.509 -4.679 4.057 1.00 0.00 N ATOM 357 CA ARG A 25 8.646 -4.062 5.325 1.00 0.00 C ATOM 358 C ARG A 25 8.327 -2.588 5.202 1.00 0.00 C ATOM 359 O ARG A 25 9.016 -1.829 4.515 1.00 0.00 O ATOM 360 CB ARG A 25 10.042 -4.307 5.874 1.00 0.00 C ATOM 361 CG ARG A 25 11.150 -3.789 4.994 1.00 0.00 C ATOM 362 CD ARG A 25 12.471 -4.296 5.439 1.00 0.00 C ATOM 363 NE ARG A 25 12.558 -5.748 5.332 1.00 0.00 N ATOM 364 CZ ARG A 25 13.658 -6.475 5.510 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.825 -5.888 5.751 1.00 0.00 N ATOM 366 NH2 ARG A 25 13.591 -7.793 5.425 1.00 0.00 N ATOM 0 H ARG A 25 9.384 -5.014 3.655 1.00 0.00 H new ATOM 0 HA ARG A 25 7.942 -4.497 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.122 -3.838 6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.180 -5.378 6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.970 -4.092 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.152 -2.699 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.257 -3.839 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.646 -3.997 6.472 1.00 0.00 H new ATOM 0 HE ARG A 25 11.701 -6.250 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.884 -4.871 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.662 -6.454 5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.700 -8.246 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.431 -8.356 5.560 1.00 0.00 H new ATOM 380 N ILE A 26 7.300 -2.181 5.870 1.00 0.00 N ATOM 381 CA ILE A 26 6.809 -0.821 5.763 1.00 0.00 C ATOM 382 C ILE A 26 7.777 0.186 6.348 1.00 0.00 C ATOM 383 O ILE A 26 7.685 1.382 6.090 1.00 0.00 O ATOM 384 CB ILE A 26 5.369 -0.656 6.339 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.233 -1.048 7.828 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.389 -1.444 5.512 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.745 -0.026 8.815 1.00 0.00 C ATOM 0 H ILE A 26 6.768 -2.771 6.509 1.00 0.00 H new ATOM 0 HA ILE A 26 6.739 -0.606 4.697 1.00 0.00 H new ATOM 0 HB ILE A 26 5.147 0.410 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.181 -1.240 8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.767 -1.984 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.386 -1.322 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.407 -1.082 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.663 -2.499 5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.603 -0.397 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.806 0.151 8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.196 0.907 8.690 1.00 0.00 H new ATOM 399 N GLN A 27 8.732 -0.321 7.089 1.00 0.00 N ATOM 400 CA GLN A 27 9.717 0.494 7.734 1.00 0.00 C ATOM 401 C GLN A 27 10.765 0.951 6.741 1.00 0.00 C ATOM 402 O GLN A 27 11.492 1.894 6.999 1.00 0.00 O ATOM 403 CB GLN A 27 10.371 -0.264 8.875 1.00 0.00 C ATOM 404 CG GLN A 27 11.044 -1.559 8.453 1.00 0.00 C ATOM 405 CD GLN A 27 11.821 -2.196 9.569 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.361 -1.509 10.432 1.00 0.00 O ATOM 407 NE2 GLN A 27 11.864 -3.493 9.588 1.00 0.00 N ATOM 0 H GLN A 27 8.843 -1.321 7.259 1.00 0.00 H new ATOM 0 HA GLN A 27 9.218 1.374 8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.112 0.381 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.616 -0.488 9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.287 -2.258 8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.714 -1.360 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.403 -4.029 8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.359 -3.976 10.338 1.00 0.00 H new ATOM 416 N GLN A 28 10.832 0.302 5.587 1.00 0.00 N ATOM 417 CA GLN A 28 11.818 0.695 4.621 1.00 0.00 C ATOM 418 C GLN A 28 11.266 1.829 3.773 1.00 0.00 C ATOM 419 O GLN A 28 12.014 2.589 3.171 1.00 0.00 O ATOM 420 CB GLN A 28 12.268 -0.465 3.735 1.00 0.00 C ATOM 421 CG GLN A 28 11.295 -0.856 2.646 1.00 0.00 C ATOM 422 CD GLN A 28 11.917 -1.712 1.570 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.502 -1.660 0.434 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.928 -2.480 1.908 1.00 0.00 N ATOM 0 H GLN A 28 10.230 -0.474 5.312 1.00 0.00 H new ATOM 0 HA GLN A 28 12.701 1.031 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.219 -0.201 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.451 -1.334 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.459 -1.395 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.887 0.047 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.252 -2.500 2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.388 -3.056 1.204 1.00 0.00 H new ATOM 433 N LEU A 29 9.943 1.953 3.761 1.00 0.00 N ATOM 434 CA LEU A 29 9.275 2.997 2.990 1.00 0.00 C ATOM 435 C LEU A 29 9.074 4.209 3.821 1.00 0.00 C ATOM 436 O LEU A 29 8.582 5.228 3.340 1.00 0.00 O ATOM 437 CB LEU A 29 7.921 2.556 2.438 1.00 0.00 C ATOM 438 CG LEU A 29 7.920 1.454 1.394 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.038 1.662 0.385 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.955 0.087 2.034 1.00 0.00 C ATOM 0 H LEU A 29 9.310 1.342 4.278 1.00 0.00 H new ATOM 0 HA LEU A 29 9.930 3.214 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.306 2.227 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.432 3.429 2.007 1.00 0.00 H new ATOM 0 HG LEU A 29 6.982 1.507 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.016 0.860 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.902 2.620 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.999 1.656 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.953 -0.678 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.858 -0.010 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.079 -0.039 2.670 1.00 0.00 H new ATOM 452 N ASN A 30 9.469 4.088 5.069 1.00 0.00 N ATOM 453 CA ASN A 30 9.347 5.134 6.064 1.00 0.00 C ATOM 454 C ASN A 30 9.938 6.455 5.548 1.00 0.00 C ATOM 455 O ASN A 30 9.365 7.510 5.788 1.00 0.00 O ATOM 456 CB ASN A 30 10.055 4.698 7.355 1.00 0.00 C ATOM 457 CG ASN A 30 9.667 5.497 8.597 1.00 0.00 C ATOM 458 OD1 ASN A 30 9.288 6.661 8.530 1.00 0.00 O ATOM 459 ND2 ASN A 30 9.780 4.870 9.748 1.00 0.00 N ATOM 0 H ASN A 30 9.896 3.236 5.431 1.00 0.00 H new ATOM 0 HA ASN A 30 8.290 5.300 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.838 3.645 7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.132 4.781 7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.550 5.353 10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.098 3.901 9.772 1.00 0.00 H new ATOM 466 N HIS A 31 11.026 6.382 4.757 1.00 0.00 N ATOM 467 CA HIS A 31 11.671 7.604 4.265 1.00 0.00 C ATOM 468 C HIS A 31 10.750 8.266 3.249 1.00 0.00 C ATOM 469 O HIS A 31 10.392 9.427 3.413 1.00 0.00 O ATOM 470 CB HIS A 31 13.036 7.326 3.615 1.00 0.00 C ATOM 471 CG HIS A 31 13.937 8.532 3.505 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.265 8.531 3.865 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.684 9.778 3.030 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.761 9.737 3.609 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.841 10.537 3.099 1.00 0.00 N ATOM 0 H HIS A 31 11.464 5.512 4.454 1.00 0.00 H new ATOM 0 HA HIS A 31 11.848 8.259 5.118 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.549 6.557 4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.872 6.919 2.617 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.779 7.743 4.259 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.731 10.123 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.785 10.026 3.794 1.00 0.00 H new ATOM 483 N CYS A 32 10.347 7.501 2.227 1.00 0.00 N ATOM 484 CA CYS A 32 9.432 7.975 1.193 1.00 0.00 C ATOM 485 C CYS A 32 8.171 8.523 1.831 1.00 0.00 C ATOM 486 O CYS A 32 7.799 9.660 1.593 1.00 0.00 O ATOM 487 CB CYS A 32 9.089 6.843 0.201 1.00 0.00 C ATOM 488 SG CYS A 32 9.880 6.979 -1.433 1.00 0.00 S ATOM 0 H CYS A 32 10.649 6.535 2.098 1.00 0.00 H new ATOM 0 HA CYS A 32 9.922 8.773 0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.376 5.891 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.008 6.818 0.063 1.00 0.00 H new ATOM 493 N GLN A 33 7.569 7.719 2.689 1.00 0.00 N ATOM 494 CA GLN A 33 6.402 8.074 3.436 1.00 0.00 C ATOM 495 C GLN A 33 6.554 9.422 4.155 1.00 0.00 C ATOM 496 O GLN A 33 5.817 10.368 3.876 1.00 0.00 O ATOM 497 CB GLN A 33 6.138 6.995 4.464 1.00 0.00 C ATOM 498 CG GLN A 33 5.075 7.384 5.460 1.00 0.00 C ATOM 499 CD GLN A 33 4.964 6.477 6.672 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.068 5.956 7.135 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 3.887 6.295 7.223 1.00 0.00 N flip ATOM 0 H GLN A 33 7.899 6.773 2.883 1.00 0.00 H new ATOM 0 HA GLN A 33 5.572 8.167 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.835 6.081 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.063 6.772 4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.275 8.399 5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.112 7.403 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.040 6.715 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.836 5.724 8.066 1.00 0.00 H new ATOM 510 N MET A 34 7.544 9.516 5.040 1.00 0.00 N ATOM 511 CA MET A 34 7.678 10.690 5.888 1.00 0.00 C ATOM 512 C MET A 34 8.056 11.911 5.092 1.00 0.00 C ATOM 513 O MET A 34 7.533 12.982 5.318 1.00 0.00 O ATOM 514 CB MET A 34 8.680 10.478 7.043 1.00 0.00 C ATOM 515 CG MET A 34 10.149 10.390 6.644 1.00 0.00 C ATOM 516 SD MET A 34 11.251 10.176 8.053 1.00 0.00 S ATOM 517 CE MET A 34 12.845 10.254 7.231 1.00 0.00 C ATOM 0 H MET A 34 8.256 8.800 5.185 1.00 0.00 H new ATOM 0 HA MET A 34 6.695 10.853 6.330 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.565 11.297 7.753 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.411 9.561 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.283 9.556 5.955 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.428 11.296 6.106 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.611 10.546 7.949 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.089 9.276 6.817 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.804 10.988 6.426 1.00 0.00 H new ATOM 527 N HIS A 35 8.924 11.729 4.132 1.00 0.00 N ATOM 528 CA HIS A 35 9.448 12.832 3.348 1.00 0.00 C ATOM 529 C HIS A 35 8.366 13.385 2.423 1.00 0.00 C ATOM 530 O HIS A 35 8.409 14.550 2.038 1.00 0.00 O ATOM 531 CB HIS A 35 10.653 12.369 2.526 1.00 0.00 C ATOM 532 CG HIS A 35 11.620 13.453 2.130 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.264 14.738 1.750 1.00 0.00 N ATOM 534 CD2 HIS A 35 12.970 13.415 2.084 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.382 15.423 1.490 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.453 14.662 1.675 1.00 0.00 N ATOM 0 H HIS A 35 9.292 10.815 3.866 1.00 0.00 H new ATOM 0 HA HIS A 35 9.766 13.622 4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.193 11.615 3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.289 11.882 1.621 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.312 15.099 1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.580 12.557 2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.410 16.455 1.173 1.00 0.00 H new ATOM 544 N LEU A 36 7.412 12.552 2.065 1.00 0.00 N ATOM 545 CA LEU A 36 6.335 12.986 1.209 1.00 0.00 C ATOM 546 C LEU A 36 5.195 13.577 1.992 1.00 0.00 C ATOM 547 O LEU A 36 4.461 14.401 1.485 1.00 0.00 O ATOM 548 CB LEU A 36 5.831 11.865 0.310 1.00 0.00 C ATOM 549 CG LEU A 36 6.841 11.317 -0.702 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.236 10.205 -1.523 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.395 12.409 -1.602 1.00 0.00 C ATOM 0 H LEU A 36 7.362 11.575 2.353 1.00 0.00 H new ATOM 0 HA LEU A 36 6.751 13.768 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.495 11.042 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.959 12.226 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 36 7.676 10.910 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.975 9.834 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.927 9.393 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.369 10.583 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.107 11.975 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.579 12.874 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.897 13.162 -0.994 1.00 0.00 H new ATOM 563 N THR A 37 5.016 13.166 3.208 1.00 0.00 N ATOM 564 CA THR A 37 3.949 13.736 3.956 1.00 0.00 C ATOM 565 C THR A 37 4.368 15.026 4.644 1.00 0.00 C ATOM 566 O THR A 37 3.531 15.875 4.982 1.00 0.00 O ATOM 567 CB THR A 37 3.392 12.735 4.947 1.00 0.00 C ATOM 568 OG1 THR A 37 4.455 12.209 5.766 1.00 0.00 O ATOM 569 CG2 THR A 37 2.719 11.596 4.210 1.00 0.00 C ATOM 0 H THR A 37 5.576 12.462 3.689 1.00 0.00 H new ATOM 0 HA THR A 37 3.155 13.994 3.255 1.00 0.00 H new ATOM 0 HB THR A 37 2.662 13.239 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.138 11.414 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.321 10.881 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.905 11.988 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.446 11.098 3.568 1.00 0.00 H new ATOM 577 N SER A 38 5.649 15.179 4.836 1.00 0.00 N ATOM 578 CA SER A 38 6.170 16.375 5.426 1.00 0.00 C ATOM 579 C SER A 38 6.515 17.409 4.370 1.00 0.00 C ATOM 580 O SER A 38 6.914 17.063 3.243 1.00 0.00 O ATOM 581 CB SER A 38 7.354 16.089 6.367 1.00 0.00 C ATOM 582 OG SER A 38 8.403 15.377 5.719 1.00 0.00 O ATOM 0 H SER A 38 6.353 14.484 4.590 1.00 0.00 H new ATOM 0 HA SER A 38 5.380 16.799 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.743 17.031 6.754 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.003 15.513 7.223 1.00 0.00 H new ATOM 0 HG SER A 38 8.122 14.452 5.561 1.00 0.00 H new ATOM 588 N PHE A 39 6.375 18.647 4.712 1.00 0.00 N ATOM 589 CA PHE A 39 6.765 19.703 3.852 1.00 0.00 C ATOM 590 C PHE A 39 7.943 20.396 4.448 1.00 0.00 C ATOM 591 O PHE A 39 8.188 20.298 5.648 1.00 0.00 O ATOM 592 CB PHE A 39 5.621 20.675 3.561 1.00 0.00 C ATOM 593 CG PHE A 39 4.608 20.128 2.598 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.472 19.481 3.044 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.807 20.261 1.233 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.556 18.978 2.148 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.894 19.762 0.333 1.00 0.00 C ATOM 598 CZ PHE A 39 2.767 19.119 0.791 1.00 0.00 C ATOM 0 H PHE A 39 5.984 18.951 5.603 1.00 0.00 H new ATOM 0 HA PHE A 39 7.041 19.283 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.123 20.929 4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.033 21.600 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.301 19.369 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.692 20.764 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.672 18.473 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.061 19.874 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.047 18.725 0.089 1.00 0.00 H new ATOM 865 N HIS A 55 15.422 11.850 -2.217 1.00 0.00 N ATOM 866 CA HIS A 55 14.681 10.813 -1.537 1.00 0.00 C ATOM 867 C HIS A 55 14.372 9.655 -2.464 1.00 0.00 C ATOM 868 O HIS A 55 14.190 8.544 -2.023 1.00 0.00 O ATOM 869 CB HIS A 55 13.409 11.362 -0.829 1.00 0.00 C ATOM 870 CG HIS A 55 12.493 12.242 -1.665 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.877 13.374 -1.181 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.070 12.116 -2.941 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.116 13.883 -2.145 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.190 13.156 -3.243 1.00 0.00 N ATOM 0 HA HIS A 55 15.323 10.426 -0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.829 10.514 -0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.724 11.931 0.045 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.367 11.332 -3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.516 14.775 -2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.706 13.319 -4.126 1.00 0.00 H new ATOM 882 N LEU A 56 14.399 9.914 -3.752 1.00 0.00 N ATOM 883 CA LEU A 56 14.122 8.897 -4.744 1.00 0.00 C ATOM 884 C LEU A 56 15.339 8.029 -4.894 1.00 0.00 C ATOM 885 O LEU A 56 15.222 6.810 -4.941 1.00 0.00 O ATOM 886 CB LEU A 56 13.656 9.534 -6.091 1.00 0.00 C ATOM 887 CG LEU A 56 13.365 8.600 -7.311 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.634 8.129 -8.012 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.523 7.404 -6.900 1.00 0.00 C ATOM 0 H LEU A 56 14.613 10.832 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 56 13.293 8.269 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.749 10.104 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.419 10.249 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 56 12.804 9.203 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.369 7.484 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.188 8.992 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.253 7.573 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.338 6.774 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.054 6.829 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.573 7.750 -6.494 1.00 0.00 H new ATOM 901 N SER A 57 16.507 8.658 -4.936 1.00 0.00 N ATOM 902 CA SER A 57 17.764 7.953 -5.017 1.00 0.00 C ATOM 903 C SER A 57 17.898 6.979 -3.844 1.00 0.00 C ATOM 904 O SER A 57 18.429 5.881 -3.995 1.00 0.00 O ATOM 905 CB SER A 57 18.917 8.962 -5.042 1.00 0.00 C ATOM 906 OG SER A 57 18.759 9.862 -6.141 1.00 0.00 O ATOM 0 H SER A 57 16.601 9.673 -4.914 1.00 0.00 H new ATOM 0 HA SER A 57 17.799 7.370 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.943 9.520 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.868 8.437 -5.126 1.00 0.00 H new ATOM 0 HG SER A 57 19.500 10.504 -6.147 1.00 0.00 H new ATOM 912 N LEU A 58 17.367 7.378 -2.704 1.00 0.00 N ATOM 913 CA LEU A 58 17.377 6.544 -1.516 1.00 0.00 C ATOM 914 C LEU A 58 16.262 5.481 -1.572 1.00 0.00 C ATOM 915 O LEU A 58 16.532 4.286 -1.519 1.00 0.00 O ATOM 916 CB LEU A 58 17.223 7.437 -0.281 1.00 0.00 C ATOM 917 CG LEU A 58 18.218 8.605 -0.218 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.940 9.492 0.972 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.656 8.102 -0.179 1.00 0.00 C ATOM 0 H LEU A 58 16.918 8.285 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 58 18.325 6.010 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.209 7.837 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.342 6.825 0.613 1.00 0.00 H new ATOM 0 HG LEU A 58 18.087 9.196 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.660 10.311 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.931 9.897 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.028 8.909 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.338 8.952 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.799 7.476 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.862 7.518 -1.076 1.00 0.00 H new ATOM 931 N CYS A 59 15.037 5.935 -1.738 1.00 0.00 N ATOM 932 CA CYS A 59 13.834 5.089 -1.730 1.00 0.00 C ATOM 933 C CYS A 59 13.889 4.004 -2.822 1.00 0.00 C ATOM 934 O CYS A 59 13.693 2.824 -2.535 1.00 0.00 O ATOM 935 CB CYS A 59 12.623 6.000 -1.902 1.00 0.00 C ATOM 936 SG CYS A 59 10.990 5.288 -1.629 1.00 0.00 S ATOM 0 H CYS A 59 14.832 6.923 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 59 13.766 4.553 -0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.739 6.843 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.648 6.402 -2.915 1.00 0.00 H new ATOM 941 N CYS A 60 14.207 4.400 -4.063 1.00 0.00 N ATOM 942 CA CYS A 60 14.345 3.465 -5.186 1.00 0.00 C ATOM 943 C CYS A 60 15.421 2.423 -4.890 1.00 0.00 C ATOM 944 O CYS A 60 15.268 1.258 -5.213 1.00 0.00 O ATOM 945 CB CYS A 60 14.651 4.235 -6.496 1.00 0.00 C ATOM 946 SG CYS A 60 14.955 3.221 -7.997 1.00 0.00 S ATOM 0 H CYS A 60 14.375 5.374 -4.315 1.00 0.00 H new ATOM 0 HA CYS A 60 13.400 2.938 -5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.815 4.904 -6.701 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.526 4.862 -6.326 1.00 0.00 H new ATOM 951 N ASN A 61 16.458 2.840 -4.179 1.00 0.00 N ATOM 952 CA ASN A 61 17.586 1.965 -3.848 1.00 0.00 C ATOM 953 C ASN A 61 17.225 1.024 -2.712 1.00 0.00 C ATOM 954 O ASN A 61 17.819 -0.037 -2.542 1.00 0.00 O ATOM 955 CB ASN A 61 18.808 2.805 -3.501 1.00 0.00 C ATOM 956 CG ASN A 61 20.081 2.005 -3.220 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.821 1.640 -4.136 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.387 1.796 -1.970 1.00 0.00 N ATOM 0 H ASN A 61 16.547 3.788 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 61 17.824 1.352 -4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.003 3.493 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.577 3.412 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.257 1.320 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.757 2.108 -1.232 1.00 0.00 H new ATOM 965 N GLN A 62 16.266 1.418 -1.936 1.00 0.00 N ATOM 966 CA GLN A 62 15.805 0.612 -0.842 1.00 0.00 C ATOM 967 C GLN A 62 14.796 -0.432 -1.332 1.00 0.00 C ATOM 968 O GLN A 62 14.929 -1.625 -1.042 1.00 0.00 O ATOM 969 CB GLN A 62 15.210 1.505 0.257 1.00 0.00 C ATOM 970 CG GLN A 62 14.697 0.770 1.492 1.00 0.00 C ATOM 971 CD GLN A 62 15.780 0.058 2.298 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.523 -0.980 2.934 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.970 0.596 2.304 1.00 0.00 N ATOM 0 H GLN A 62 15.778 2.307 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 62 16.650 0.073 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.970 2.221 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.388 2.079 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.190 1.484 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.952 0.037 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.147 1.448 1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.722 0.164 2.841 1.00 0.00 H new ATOM 982 N LEU A 63 13.837 0.017 -2.117 1.00 0.00 N ATOM 983 CA LEU A 63 12.766 -0.844 -2.617 1.00 0.00 C ATOM 984 C LEU A 63 13.314 -1.899 -3.576 1.00 0.00 C ATOM 985 O LEU A 63 12.803 -2.999 -3.668 1.00 0.00 O ATOM 986 CB LEU A 63 11.687 0.026 -3.304 1.00 0.00 C ATOM 987 CG LEU A 63 12.043 0.668 -4.647 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.797 -0.269 -5.798 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.297 1.952 -4.840 1.00 0.00 C ATOM 0 H LEU A 63 13.772 0.986 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 63 12.314 -1.373 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.801 -0.592 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.409 0.823 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 63 13.110 0.889 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.062 0.225 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.407 -1.164 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.744 -0.548 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.567 2.389 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.225 1.757 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.555 2.647 -4.041 1.00 0.00 H new ATOM 1001 N GLN A 64 14.363 -1.539 -4.287 1.00 0.00 N ATOM 1002 CA GLN A 64 14.968 -2.406 -5.280 1.00 0.00 C ATOM 1003 C GLN A 64 15.651 -3.612 -4.649 1.00 0.00 C ATOM 1004 O GLN A 64 15.991 -4.562 -5.347 1.00 0.00 O ATOM 1005 CB GLN A 64 15.959 -1.642 -6.142 1.00 0.00 C ATOM 1006 CG GLN A 64 17.196 -1.207 -5.395 1.00 0.00 C ATOM 1007 CD GLN A 64 18.209 -0.525 -6.276 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.861 0.113 -7.269 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.458 -0.643 -5.931 1.00 0.00 N ATOM 0 H GLN A 64 14.823 -0.633 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 64 14.158 -2.772 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.254 -2.268 -6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.466 -0.762 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.908 -0.530 -4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.657 -2.078 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.709 -1.180 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 64 20.186 -0.199 -6.491 1.00 0.00 H new ATOM 1018 N GLU A 65 15.873 -3.574 -3.342 1.00 0.00 N ATOM 1019 CA GLU A 65 16.469 -4.708 -2.671 1.00 0.00 C ATOM 1020 C GLU A 65 15.426 -5.781 -2.483 1.00 0.00 C ATOM 1021 O GLU A 65 15.740 -6.972 -2.355 1.00 0.00 O ATOM 1022 CB GLU A 65 17.093 -4.324 -1.342 1.00 0.00 C ATOM 1023 CG GLU A 65 18.170 -3.276 -1.462 1.00 0.00 C ATOM 1024 CD GLU A 65 19.012 -3.183 -0.226 1.00 0.00 C ATOM 1025 OE1 GLU A 65 18.616 -2.499 0.739 1.00 0.00 O ATOM 1026 OE2 GLU A 65 20.106 -3.795 -0.195 1.00 0.00 O ATOM 0 H GLU A 65 15.652 -2.782 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 65 17.277 -5.088 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.312 -3.956 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.515 -5.215 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.806 -3.508 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.711 -2.307 -1.660 1.00 0.00 H new ATOM 1033 N VAL A 66 14.188 -5.348 -2.496 1.00 0.00 N ATOM 1034 CA VAL A 66 13.042 -6.231 -2.417 1.00 0.00 C ATOM 1035 C VAL A 66 12.878 -6.929 -3.788 1.00 0.00 C ATOM 1036 O VAL A 66 13.466 -6.486 -4.789 1.00 0.00 O ATOM 1037 CB VAL A 66 11.746 -5.418 -2.079 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.550 -6.309 -1.782 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.991 -4.471 -0.928 1.00 0.00 C ATOM 0 H VAL A 66 13.942 -4.360 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 66 13.197 -6.968 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 66 11.502 -4.843 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.682 -5.690 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.335 -6.931 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.775 -6.946 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.077 -3.917 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.289 -5.039 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.784 -3.772 -1.194 1.00 0.00 H new ATOM 1049 N GLU A 67 12.140 -8.028 -3.815 1.00 0.00 N ATOM 1050 CA GLU A 67 11.848 -8.772 -5.042 1.00 0.00 C ATOM 1051 C GLU A 67 11.258 -7.904 -6.128 1.00 0.00 C ATOM 1052 O GLU A 67 10.451 -7.039 -5.852 1.00 0.00 O ATOM 1053 CB GLU A 67 10.885 -9.883 -4.755 1.00 0.00 C ATOM 1054 CG GLU A 67 11.484 -11.033 -4.022 1.00 0.00 C ATOM 1055 CD GLU A 67 10.522 -12.156 -3.906 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.846 -12.267 -2.869 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.425 -12.969 -4.851 1.00 0.00 O ATOM 0 H GLU A 67 11.720 -8.437 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 67 12.802 -9.162 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.054 -9.487 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.471 -10.242 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.381 -11.371 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.794 -10.712 -3.027 1.00 0.00 H new ATOM 1064 N LYS A 68 11.626 -8.197 -7.368 1.00 0.00 N ATOM 1065 CA LYS A 68 11.176 -7.456 -8.556 1.00 0.00 C ATOM 1066 C LYS A 68 9.647 -7.399 -8.655 1.00 0.00 C ATOM 1067 O LYS A 68 9.077 -6.421 -9.122 1.00 0.00 O ATOM 1068 CB LYS A 68 11.761 -8.081 -9.835 1.00 0.00 C ATOM 1069 CG LYS A 68 11.383 -9.539 -10.060 1.00 0.00 C ATOM 1070 CD LYS A 68 12.001 -10.075 -11.329 1.00 0.00 C ATOM 1071 CE LYS A 68 13.509 -10.241 -11.227 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.080 -10.754 -12.487 1.00 0.00 N ATOM 0 H LYS A 68 12.256 -8.968 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 68 11.540 -6.434 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.429 -7.497 -10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.848 -8.003 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.713 -10.138 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.298 -9.632 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.550 -11.038 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.769 -9.400 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.966 -9.282 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.747 -10.925 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.110 -10.856 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.660 -11.680 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.873 -10.088 -13.259 1.00 0.00 H new ATOM 1086 N GLN A 69 8.998 -8.425 -8.166 1.00 0.00 N ATOM 1087 CA GLN A 69 7.550 -8.517 -8.216 1.00 0.00 C ATOM 1088 C GLN A 69 6.921 -7.786 -7.034 1.00 0.00 C ATOM 1089 O GLN A 69 5.707 -7.675 -6.938 1.00 0.00 O ATOM 1090 CB GLN A 69 7.126 -9.985 -8.196 1.00 0.00 C ATOM 1091 CG GLN A 69 7.560 -10.719 -6.934 1.00 0.00 C ATOM 1092 CD GLN A 69 7.157 -12.164 -6.919 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.079 -12.522 -6.454 1.00 0.00 O ATOM 1094 NE2 GLN A 69 8.009 -13.006 -7.410 1.00 0.00 N ATOM 0 H GLN A 69 9.452 -9.223 -7.721 1.00 0.00 H new ATOM 0 HA GLN A 69 7.205 -8.048 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.042 -10.044 -8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.548 -10.490 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.643 -10.650 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.130 -10.220 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.896 -12.672 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.794 -14.003 -7.419 1.00 0.00 H new ATOM 1103 N CYS A 70 7.750 -7.304 -6.142 1.00 0.00 N ATOM 1104 CA CYS A 70 7.278 -6.680 -4.930 1.00 0.00 C ATOM 1105 C CYS A 70 7.852 -5.271 -4.749 1.00 0.00 C ATOM 1106 O CYS A 70 7.461 -4.559 -3.847 1.00 0.00 O ATOM 1107 CB CYS A 70 7.631 -7.560 -3.747 1.00 0.00 C ATOM 1108 SG CYS A 70 6.979 -9.276 -3.875 1.00 0.00 S ATOM 0 H CYS A 70 8.765 -7.332 -6.234 1.00 0.00 H new ATOM 0 HA CYS A 70 6.195 -6.572 -4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.716 -7.600 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.244 -7.101 -2.837 1.00 0.00 H new ATOM 1113 N GLN A 71 8.769 -4.881 -5.622 1.00 0.00 N ATOM 1114 CA GLN A 71 9.365 -3.530 -5.610 1.00 0.00 C ATOM 1115 C GLN A 71 8.296 -2.495 -5.846 1.00 0.00 C ATOM 1116 O GLN A 71 8.253 -1.468 -5.196 1.00 0.00 O ATOM 1117 CB GLN A 71 10.397 -3.437 -6.704 1.00 0.00 C ATOM 1118 CG GLN A 71 11.618 -4.275 -6.465 1.00 0.00 C ATOM 1119 CD GLN A 71 12.539 -4.300 -7.658 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.094 -4.136 -8.802 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.786 -4.595 -7.430 1.00 0.00 N ATOM 0 H GLN A 71 9.129 -5.483 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 71 9.831 -3.349 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.940 -3.739 -7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.700 -2.396 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.158 -3.888 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.315 -5.293 -6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.113 -4.722 -6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.436 -4.699 -8.209 1.00 0.00 H new ATOM 1130 N CYS A 72 7.414 -2.787 -6.768 1.00 0.00 N ATOM 1131 CA CYS A 72 6.318 -1.907 -7.040 1.00 0.00 C ATOM 1132 C CYS A 72 5.236 -2.049 -6.011 1.00 0.00 C ATOM 1133 O CYS A 72 4.459 -1.134 -5.776 1.00 0.00 O ATOM 1134 CB CYS A 72 5.799 -2.080 -8.434 1.00 0.00 C ATOM 1135 SG CYS A 72 5.497 -3.788 -8.963 1.00 0.00 S ATOM 0 H CYS A 72 7.438 -3.630 -7.341 1.00 0.00 H new ATOM 0 HA CYS A 72 6.692 -0.886 -6.972 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.867 -1.522 -8.525 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.511 -1.627 -9.124 1.00 0.00 H new ATOM 1140 N GLU A 73 5.206 -3.184 -5.376 1.00 0.00 N ATOM 1141 CA GLU A 73 4.258 -3.418 -4.326 1.00 0.00 C ATOM 1142 C GLU A 73 4.654 -2.602 -3.099 1.00 0.00 C ATOM 1143 O GLU A 73 3.804 -2.115 -2.350 1.00 0.00 O ATOM 1144 CB GLU A 73 4.165 -4.894 -3.990 1.00 0.00 C ATOM 1145 CG GLU A 73 3.691 -5.752 -5.151 1.00 0.00 C ATOM 1146 CD GLU A 73 2.342 -5.330 -5.684 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.307 -5.811 -5.175 1.00 0.00 O ATOM 1148 OE2 GLU A 73 2.284 -4.538 -6.638 1.00 0.00 O ATOM 0 H GLU A 73 5.831 -3.967 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 73 3.271 -3.102 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.144 -5.247 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.483 -5.025 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.425 -5.703 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.639 -6.792 -4.830 1.00 0.00 H new ATOM 1155 N ALA A 74 5.963 -2.399 -2.947 1.00 0.00 N ATOM 1156 CA ALA A 74 6.523 -1.597 -1.886 1.00 0.00 C ATOM 1157 C ALA A 74 6.014 -0.166 -1.982 1.00 0.00 C ATOM 1158 O ALA A 74 5.900 0.546 -0.995 1.00 0.00 O ATOM 1159 CB ALA A 74 8.041 -1.632 -1.951 1.00 0.00 C ATOM 0 H ALA A 74 6.664 -2.797 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 74 6.208 -2.009 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.454 -1.024 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.386 -2.660 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.373 -1.237 -2.911 1.00 0.00 H new ATOM 1165 N ILE A 75 5.626 0.202 -3.177 1.00 0.00 N ATOM 1166 CA ILE A 75 5.141 1.517 -3.460 1.00 0.00 C ATOM 1167 C ILE A 75 3.737 1.676 -2.901 1.00 0.00 C ATOM 1168 O ILE A 75 3.351 2.752 -2.450 1.00 0.00 O ATOM 1169 CB ILE A 75 5.092 1.755 -4.972 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.445 1.428 -5.629 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.657 3.157 -5.275 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.642 2.111 -5.019 1.00 0.00 C ATOM 0 H ILE A 75 5.641 -0.417 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 75 5.816 2.238 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 75 4.352 1.078 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.601 0.350 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.392 1.698 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.629 3.304 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.664 3.327 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.361 3.860 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.543 1.813 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.519 3.192 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.731 1.823 -3.972 1.00 0.00 H new ATOM 1184 N LYS A 76 3.010 0.575 -2.851 1.00 0.00 N ATOM 1185 CA LYS A 76 1.622 0.603 -2.413 1.00 0.00 C ATOM 1186 C LYS A 76 1.636 0.852 -0.945 1.00 0.00 C ATOM 1187 O LYS A 76 0.867 1.661 -0.406 1.00 0.00 O ATOM 1188 CB LYS A 76 0.946 -0.742 -2.693 1.00 0.00 C ATOM 1189 CG LYS A 76 0.990 -1.180 -4.144 1.00 0.00 C ATOM 1190 CD LYS A 76 0.274 -0.187 -5.040 1.00 0.00 C ATOM 1191 CE LYS A 76 0.204 -0.670 -6.476 1.00 0.00 C ATOM 1192 NZ LYS A 76 -0.505 -1.968 -6.603 1.00 0.00 N ATOM 0 H LYS A 76 3.355 -0.350 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 76 1.069 1.377 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.423 -1.508 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.095 -0.683 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.027 -1.281 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.528 -2.162 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.735 -0.020 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.790 0.772 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.303 0.079 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.214 -0.771 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.781 -2.117 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.124 -2.738 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.355 -1.959 -6.004 1.00 0.00 H new ATOM 1206 N GLN A 77 2.602 0.211 -0.343 1.00 0.00 N ATOM 1207 CA GLN A 77 2.873 0.257 1.069 1.00 0.00 C ATOM 1208 C GLN A 77 3.073 1.699 1.488 1.00 0.00 C ATOM 1209 O GLN A 77 2.474 2.142 2.474 1.00 0.00 O ATOM 1210 CB GLN A 77 4.144 -0.505 1.333 1.00 0.00 C ATOM 1211 CG GLN A 77 4.148 -1.905 0.748 1.00 0.00 C ATOM 1212 CD GLN A 77 3.464 -2.943 1.575 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.416 -2.860 2.791 1.00 0.00 O ATOM 1214 NE2 GLN A 77 2.935 -3.936 0.931 1.00 0.00 N ATOM 0 H GLN A 77 3.254 -0.388 -0.850 1.00 0.00 H new ATOM 0 HA GLN A 77 2.044 -0.178 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.984 0.054 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.301 -0.570 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.672 -1.873 -0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.182 -2.212 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.994 -3.973 -0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.460 -4.680 1.442 1.00 0.00 H new ATOM 1223 N VAL A 78 3.892 2.434 0.699 1.00 0.00 N ATOM 1224 CA VAL A 78 4.174 3.852 0.960 1.00 0.00 C ATOM 1225 C VAL A 78 2.882 4.633 0.973 1.00 0.00 C ATOM 1226 O VAL A 78 2.628 5.407 1.879 1.00 0.00 O ATOM 1227 CB VAL A 78 5.048 4.537 -0.129 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.528 5.897 0.340 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.192 3.688 -0.589 1.00 0.00 C ATOM 0 H VAL A 78 4.366 2.061 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 78 4.706 3.860 1.911 1.00 0.00 H new ATOM 0 HB VAL A 78 4.405 4.674 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.137 6.356 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.669 6.533 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.124 5.780 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.761 4.225 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.840 3.461 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.809 2.759 -1.012 1.00 0.00 H new ATOM 1239 N VAL A 79 2.042 4.381 -0.021 1.00 0.00 N ATOM 1240 CA VAL A 79 0.843 5.165 -0.192 1.00 0.00 C ATOM 1241 C VAL A 79 -0.108 4.904 0.949 1.00 0.00 C ATOM 1242 O VAL A 79 -0.711 5.828 1.482 1.00 0.00 O ATOM 1243 CB VAL A 79 0.126 4.888 -1.531 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.022 5.866 -1.725 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.098 4.963 -2.695 1.00 0.00 C ATOM 0 H VAL A 79 2.173 3.643 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 79 1.151 6.211 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.279 3.877 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.519 5.660 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.736 5.755 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.635 6.885 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.567 4.764 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.541 5.958 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.885 4.221 -2.560 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.213 3.647 1.337 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.072 3.254 2.435 1.00 0.00 C ATOM 1257 C GLU A 80 -0.650 3.931 3.730 1.00 0.00 C ATOM 1258 O GLU A 80 -1.447 4.611 4.363 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.072 1.745 2.636 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.751 0.942 1.543 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.773 -0.527 1.878 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -2.326 -0.897 2.936 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -1.245 -1.342 1.116 1.00 0.00 O ATOM 0 H GLU A 80 0.292 2.875 0.902 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.081 3.573 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.039 1.407 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.561 1.522 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.771 1.301 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.229 1.094 0.599 1.00 0.00 H new ATOM 1270 N GLN A 81 0.618 3.800 4.074 1.00 0.00 N ATOM 1271 CA GLN A 81 1.121 4.333 5.333 1.00 0.00 C ATOM 1272 C GLN A 81 1.134 5.862 5.348 1.00 0.00 C ATOM 1273 O GLN A 81 0.798 6.478 6.360 1.00 0.00 O ATOM 1274 CB GLN A 81 2.504 3.756 5.670 1.00 0.00 C ATOM 1275 CG GLN A 81 3.566 4.024 4.616 1.00 0.00 C ATOM 1276 CD GLN A 81 4.918 3.423 4.941 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.938 3.930 4.535 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.939 2.361 5.673 1.00 0.00 N ATOM 0 H GLN A 81 1.320 3.330 3.502 1.00 0.00 H new ATOM 0 HA GLN A 81 0.429 4.016 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.838 4.174 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.411 2.679 5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.223 3.628 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.678 5.101 4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.065 1.952 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.830 1.930 5.921 1.00 0.00 H new ATOM 1287 N ALA A 82 1.454 6.466 4.225 1.00 0.00 N ATOM 1288 CA ALA A 82 1.543 7.904 4.156 1.00 0.00 C ATOM 1289 C ALA A 82 0.168 8.554 4.250 1.00 0.00 C ATOM 1290 O ALA A 82 0.001 9.591 4.894 1.00 0.00 O ATOM 1291 CB ALA A 82 2.272 8.339 2.897 1.00 0.00 C ATOM 0 H ALA A 82 1.656 5.983 3.350 1.00 0.00 H new ATOM 0 HA ALA A 82 2.121 8.243 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.327 9.427 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.280 7.924 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.733 7.978 2.021 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.825 7.930 3.651 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.149 8.488 3.685 1.00 0.00 C ATOM 1299 C GLN A 83 -2.773 8.268 5.040 1.00 0.00 C ATOM 1300 O GLN A 83 -3.415 9.156 5.562 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.053 7.936 2.572 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.445 6.479 2.714 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.220 5.987 1.536 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.529 5.472 0.569 1.00 0.00 O flip ATOM 1305 NE2 GLN A 83 -5.439 6.067 1.502 1.00 0.00 N flip ATOM 0 H GLN A 83 -0.738 7.050 3.143 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.052 9.559 3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.962 8.537 2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.545 8.066 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.547 5.873 2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.040 6.351 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.945 6.480 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.950 5.721 0.690 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.528 7.097 5.638 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.132 6.763 6.919 1.00 0.00 C ATOM 1316 C LYS A 84 -2.595 7.645 8.018 1.00 0.00 C ATOM 1317 O LYS A 84 -3.325 8.025 8.925 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.004 5.239 7.260 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.588 4.682 7.466 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.004 4.987 8.835 1.00 0.00 C ATOM 1321 CE LYS A 84 0.397 4.417 8.972 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.980 4.647 10.310 1.00 0.00 N ATOM 0 H LYS A 84 -1.920 6.374 5.254 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.201 6.961 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.578 5.046 8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.476 4.673 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.608 3.602 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.930 5.094 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.978 6.066 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.647 4.569 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.370 3.346 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.043 4.866 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.935 4.238 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.034 5.669 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.382 4.196 11.031 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.329 8.029 7.899 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.692 8.801 8.933 1.00 0.00 C ATOM 1338 C GLN A 85 -1.230 10.241 8.948 1.00 0.00 C ATOM 1339 O GLN A 85 -1.276 10.893 9.995 1.00 0.00 O ATOM 1340 CB GLN A 85 0.842 8.739 8.814 1.00 0.00 C ATOM 1341 CG GLN A 85 1.468 9.608 7.742 1.00 0.00 C ATOM 1342 CD GLN A 85 2.994 9.642 7.803 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.657 9.808 6.793 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.563 9.524 8.985 1.00 0.00 N ATOM 0 H GLN A 85 -0.735 7.815 7.098 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.942 8.359 9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.271 9.020 9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.129 7.704 8.626 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.159 9.243 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.085 10.624 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.988 9.386 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.578 9.571 9.069 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.636 10.722 7.786 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.263 12.042 7.676 1.00 0.00 C ATOM 1355 C LEU A 86 -3.772 11.965 7.906 1.00 0.00 C ATOM 1356 O LEU A 86 -4.388 12.877 8.474 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.903 12.726 6.338 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.639 13.609 6.347 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.854 14.830 7.206 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.557 12.861 6.865 1.00 0.00 C ATOM 0 H LEU A 86 -1.546 10.223 6.901 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.859 12.671 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.776 11.953 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.749 13.340 6.028 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.450 13.905 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.048 15.442 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.688 15.410 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.077 14.522 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.428 13.516 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.364 12.528 7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.748 11.996 6.230 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.350 10.855 7.494 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.776 10.589 7.640 1.00 0.00 C ATOM 1374 C GLN A 87 -6.155 10.532 9.120 1.00 0.00 C ATOM 1375 O GLN A 87 -7.205 11.011 9.520 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.111 9.263 6.956 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.583 8.904 6.911 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.840 7.550 6.249 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -6.994 7.156 5.330 1.00 0.00 O flip ATOM 1380 NE2 GLN A 87 -8.806 6.862 6.574 1.00 0.00 N flip ATOM 0 H GLN A 87 -3.839 10.098 7.041 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.345 11.392 7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.732 9.295 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.576 8.464 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.980 8.889 7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.125 9.678 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.449 7.193 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.964 5.960 6.125 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.261 9.989 9.926 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.489 9.846 11.368 1.00 0.00 C ATOM 1391 C GLN A 88 -5.177 11.147 12.103 1.00 0.00 C ATOM 1392 O GLN A 88 -5.401 11.263 13.313 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.606 8.737 11.939 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.116 9.070 11.931 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.225 7.953 12.431 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.583 6.729 12.162 1.00 0.00 O flip ATOM 1397 NE2 GLN A 88 -1.177 8.208 13.015 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.359 9.634 9.610 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.540 9.595 11.511 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.917 8.529 12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.768 7.825 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.819 9.328 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.950 9.954 12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.925 9.177 13.211 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.557 7.451 13.305 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.639 12.096 11.383 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.255 13.341 11.969 1.00 0.00 C ATOM 1408 C GLY A 89 -5.353 14.368 11.891 1.00 0.00 C ATOM 1409 O GLY A 89 -6.522 14.079 12.171 1.00 0.00 O ATOM 0 H GLY A 89 -4.458 12.023 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.983 13.181 13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.368 13.721 11.463 1.00 0.00 H new ATOM 1413 N GLN A 90 -5.000 15.542 11.479 1.00 0.00 N ATOM 1414 CA GLN A 90 -5.931 16.653 11.424 1.00 0.00 C ATOM 1415 C GLN A 90 -6.357 16.938 9.997 1.00 0.00 C ATOM 1416 O GLN A 90 -7.376 17.588 9.759 1.00 0.00 O ATOM 1417 CB GLN A 90 -5.282 17.897 12.011 1.00 0.00 C ATOM 1418 CG GLN A 90 -4.842 17.746 13.450 1.00 0.00 C ATOM 1419 CD GLN A 90 -4.093 18.957 13.942 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -4.679 19.898 14.471 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -2.802 18.955 13.764 1.00 0.00 N ATOM 0 H GLN A 90 -4.057 15.772 11.167 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.814 16.384 12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.416 18.162 11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.986 18.727 11.943 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.715 17.579 14.080 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.208 16.865 13.544 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.350 18.155 13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.244 19.753 14.068 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.592 16.463 9.063 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.864 16.723 7.677 1.00 0.00 C ATOM 1432 C GLY A 91 -4.606 16.627 6.910 1.00 0.00 C ATOM 1433 O GLY A 91 -3.797 15.771 7.202 1.00 0.00 O ATOM 0 H GLY A 91 -4.767 15.888 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.592 16.007 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.301 17.715 7.559 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.424 17.486 5.940 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.204 17.494 5.205 1.00 0.00 C ATOM 1439 C GLY A 92 -3.277 16.717 3.933 1.00 0.00 C ATOM 1440 O GLY A 92 -2.564 17.021 3.014 1.00 0.00 O ATOM 0 H GLY A 92 -5.108 18.184 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.931 18.525 4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.409 17.084 5.828 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.173 15.759 3.851 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.276 14.879 2.680 1.00 0.00 C ATOM 1446 C GLN A 93 -4.422 15.643 1.358 1.00 0.00 C ATOM 1447 O GLN A 93 -3.922 15.202 0.334 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.391 13.847 2.835 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.154 12.843 3.950 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.182 11.740 3.950 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -7.224 11.837 4.602 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -5.911 10.701 3.206 1.00 0.00 N ATOM 0 H GLN A 93 -4.854 15.558 4.584 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.325 14.348 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.330 14.368 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.507 13.309 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.159 12.411 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.175 13.357 4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.036 10.663 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.574 9.928 3.148 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.054 16.800 1.396 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.227 17.600 0.189 1.00 0.00 C ATOM 1463 C GLN A 94 -3.932 18.335 -0.184 1.00 0.00 C ATOM 1464 O GLN A 94 -3.622 18.500 -1.359 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.350 18.614 0.348 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.127 19.581 1.489 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.104 20.733 1.487 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -8.242 20.609 1.027 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -6.681 21.859 1.983 1.00 0.00 N ATOM 0 H GLN A 94 -5.455 17.209 2.240 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.487 16.907 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.456 19.176 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.289 18.084 0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.209 19.044 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.112 19.973 1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.734 21.928 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.296 22.672 1.999 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.179 18.764 0.816 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.963 19.522 0.573 1.00 0.00 C ATOM 1480 C GLN A 95 -0.815 18.571 0.298 1.00 0.00 C ATOM 1481 O GLN A 95 -0.048 18.746 -0.638 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.647 20.484 1.741 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.371 19.820 3.070 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.172 20.781 4.228 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.860 21.890 4.217 1.00 0.00 O flip ATOM 1486 NE2 GLN A 95 -0.421 20.492 5.159 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.388 18.601 1.801 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.111 20.147 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.781 21.087 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.487 21.168 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.200 19.153 3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.480 19.199 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.104 19.617 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.323 21.127 5.951 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.763 17.533 1.101 1.00 0.00 N ATOM 1496 CA VAL A 96 0.209 16.459 0.996 1.00 0.00 C ATOM 1497 C VAL A 96 0.046 15.716 -0.333 1.00 0.00 C ATOM 1498 O VAL A 96 0.994 15.124 -0.829 1.00 0.00 O ATOM 1499 CB VAL A 96 0.078 15.461 2.206 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.008 14.282 2.074 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.322 16.173 3.534 1.00 0.00 C ATOM 0 H VAL A 96 -1.417 17.405 1.873 1.00 0.00 H new ATOM 0 HA VAL A 96 1.205 16.900 1.027 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.944 15.083 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.882 13.621 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.777 13.737 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.039 14.634 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.225 15.460 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.326 16.598 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.410 16.970 3.659 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.154 15.802 -0.918 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.493 15.138 -2.193 1.00 0.00 C ATOM 1513 C GLN A 97 -0.416 15.333 -3.276 1.00 0.00 C ATOM 1514 O GLN A 97 -0.025 14.377 -3.951 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.817 15.665 -2.711 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.232 15.097 -4.056 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.497 15.730 -4.579 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -4.785 16.894 -4.292 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.252 14.997 -5.351 1.00 0.00 N ATOM 0 H GLN A 97 -1.927 16.337 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.557 14.070 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.594 15.442 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.756 16.750 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.428 15.249 -4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.378 14.021 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.981 14.037 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.113 15.384 -5.739 1.00 0.00 H new ATOM 1528 N GLN A 98 0.087 16.553 -3.399 1.00 0.00 N ATOM 1529 CA GLN A 98 1.070 16.887 -4.428 1.00 0.00 C ATOM 1530 C GLN A 98 2.427 16.223 -4.159 1.00 0.00 C ATOM 1531 O GLN A 98 3.263 16.114 -5.044 1.00 0.00 O ATOM 1532 CB GLN A 98 1.235 18.402 -4.570 1.00 0.00 C ATOM 1533 CG GLN A 98 1.860 19.076 -3.365 1.00 0.00 C ATOM 1534 CD GLN A 98 1.987 20.572 -3.537 1.00 0.00 C ATOM 1535 OE1 GLN A 98 1.164 21.211 -4.199 1.00 0.00 O ATOM 1536 NE2 GLN A 98 3.045 21.132 -3.018 1.00 0.00 N ATOM 0 H GLN A 98 -0.170 17.335 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 98 0.687 16.494 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.849 18.608 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.257 18.847 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.257 18.865 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.847 18.649 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.704 20.573 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.213 22.129 -3.154 1.00 0.00 H new ATOM 1545 N MET A 99 2.639 15.789 -2.944 1.00 0.00 N ATOM 1546 CA MET A 99 3.894 15.186 -2.575 1.00 0.00 C ATOM 1547 C MET A 99 3.728 13.689 -2.532 1.00 0.00 C ATOM 1548 O MET A 99 4.517 12.959 -3.097 1.00 0.00 O ATOM 1549 CB MET A 99 4.318 15.698 -1.222 1.00 0.00 C ATOM 1550 CG MET A 99 5.815 15.742 -1.002 1.00 0.00 C ATOM 1551 SD MET A 99 6.671 16.866 -2.118 1.00 0.00 S ATOM 1552 CE MET A 99 8.346 16.701 -1.509 1.00 0.00 C ATOM 0 H MET A 99 1.955 15.842 -2.189 1.00 0.00 H new ATOM 0 HA MET A 99 4.659 15.443 -3.307 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.915 16.702 -1.086 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.870 15.068 -0.454 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.015 16.042 0.027 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.222 14.739 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.030 17.222 -2.179 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.415 17.135 -0.511 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.615 15.646 -1.465 1.00 0.00 H new ATOM 1562 N VAL A 100 2.678 13.237 -1.889 1.00 0.00 N ATOM 1563 CA VAL A 100 2.401 11.808 -1.784 1.00 0.00 C ATOM 1564 C VAL A 100 2.102 11.179 -3.169 1.00 0.00 C ATOM 1565 O VAL A 100 2.300 9.985 -3.367 1.00 0.00 O ATOM 1566 CB VAL A 100 1.285 11.484 -0.746 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.044 12.061 -1.155 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.180 9.991 -0.487 1.00 0.00 C ATOM 0 H VAL A 100 1.993 13.834 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 100 3.312 11.345 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 100 1.573 11.962 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.795 11.813 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.040 13.144 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.341 11.644 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.392 9.803 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.944 9.476 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.129 9.621 -0.099 1.00 0.00 H new ATOM 1578 N LYS A 101 1.649 11.991 -4.138 1.00 0.00 N ATOM 1579 CA LYS A 101 1.474 11.500 -5.515 1.00 0.00 C ATOM 1580 C LYS A 101 2.800 10.987 -6.079 1.00 0.00 C ATOM 1581 O LYS A 101 2.815 10.118 -6.941 1.00 0.00 O ATOM 1582 CB LYS A 101 0.981 12.585 -6.461 1.00 0.00 C ATOM 1583 CG LYS A 101 1.965 13.721 -6.625 1.00 0.00 C ATOM 1584 CD LYS A 101 1.843 14.383 -7.967 1.00 0.00 C ATOM 1585 CE LYS A 101 2.825 15.535 -8.084 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.694 16.267 -9.354 1.00 0.00 N ATOM 0 H LYS A 101 1.402 12.971 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 101 0.733 10.703 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.779 12.143 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.036 12.981 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.800 14.459 -5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.979 13.343 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.032 13.655 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.826 14.749 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.670 16.225 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.841 15.151 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.387 17.042 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.868 15.618 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.734 16.659 -9.431 1.00 0.00 H new ATOM 1600 N LYS A 102 3.921 11.528 -5.572 1.00 0.00 N ATOM 1601 CA LYS A 102 5.227 11.156 -6.043 1.00 0.00 C ATOM 1602 C LYS A 102 5.498 9.714 -5.721 1.00 0.00 C ATOM 1603 O LYS A 102 6.213 9.040 -6.450 1.00 0.00 O ATOM 1604 CB LYS A 102 6.271 12.050 -5.427 1.00 0.00 C ATOM 1605 CG LYS A 102 6.148 13.509 -5.847 1.00 0.00 C ATOM 1606 CD LYS A 102 6.938 14.414 -4.925 1.00 0.00 C ATOM 1607 CE LYS A 102 8.399 14.027 -4.849 1.00 0.00 C ATOM 1608 NZ LYS A 102 9.102 14.229 -6.129 1.00 0.00 N ATOM 0 H LYS A 102 3.927 12.228 -4.830 1.00 0.00 H new ATOM 0 HA LYS A 102 5.267 11.278 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.198 11.986 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.260 11.683 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.505 13.627 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.099 13.805 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.855 15.444 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.503 14.379 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.888 14.615 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.480 12.981 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.102 13.966 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.665 13.635 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.035 15.229 -6.408 1.00 0.00 H new ATOM 1622 N ALA A 103 4.879 9.239 -4.640 1.00 0.00 N ATOM 1623 CA ALA A 103 4.958 7.835 -4.267 1.00 0.00 C ATOM 1624 C ALA A 103 4.358 6.995 -5.379 1.00 0.00 C ATOM 1625 O ALA A 103 4.933 6.044 -5.825 1.00 0.00 O ATOM 1626 CB ALA A 103 4.226 7.564 -2.959 1.00 0.00 C ATOM 0 H ALA A 103 4.317 9.811 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 103 6.006 7.572 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.305 6.506 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.673 8.158 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.175 7.834 -3.067 1.00 0.00 H new ATOM 1632 N GLN A 104 3.239 7.442 -5.891 1.00 0.00 N ATOM 1633 CA GLN A 104 2.528 6.739 -6.948 1.00 0.00 C ATOM 1634 C GLN A 104 3.293 6.822 -8.286 1.00 0.00 C ATOM 1635 O GLN A 104 3.022 6.070 -9.220 1.00 0.00 O ATOM 1636 CB GLN A 104 1.108 7.300 -7.078 1.00 0.00 C ATOM 1637 CG GLN A 104 0.306 7.196 -5.784 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.128 7.658 -5.926 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.378 8.911 -5.664 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -2.016 6.872 -6.251 1.00 0.00 N flip ATOM 0 H GLN A 104 2.788 8.306 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 104 2.461 5.683 -6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.162 8.345 -7.382 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.583 6.765 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.314 6.161 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.796 7.790 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.787 5.898 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.981 7.194 -6.322 1.00 0.00 H new ATOM 1649 N MET A 105 4.230 7.752 -8.381 1.00 0.00 N ATOM 1650 CA MET A 105 5.054 7.892 -9.584 1.00 0.00 C ATOM 1651 C MET A 105 6.330 7.071 -9.478 1.00 0.00 C ATOM 1652 O MET A 105 7.043 6.891 -10.469 1.00 0.00 O ATOM 1653 CB MET A 105 5.441 9.326 -9.853 1.00 0.00 C ATOM 1654 CG MET A 105 4.290 10.303 -9.813 1.00 0.00 C ATOM 1655 SD MET A 105 4.716 11.916 -10.521 1.00 0.00 S ATOM 1656 CE MET A 105 6.224 12.307 -9.628 1.00 0.00 C ATOM 0 H MET A 105 4.443 8.423 -7.643 1.00 0.00 H new ATOM 0 HA MET A 105 4.439 7.529 -10.407 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.186 9.632 -9.119 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.916 9.383 -10.832 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.444 9.884 -10.358 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.969 10.438 -8.780 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.214 13.358 -9.339 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.289 11.686 -8.735 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.086 12.115 -10.267 1.00 0.00 H new ATOM 1666 N LEU A 106 6.636 6.605 -8.276 1.00 0.00 N ATOM 1667 CA LEU A 106 7.860 5.835 -8.002 1.00 0.00 C ATOM 1668 C LEU A 106 8.072 4.657 -8.976 1.00 0.00 C ATOM 1669 O LEU A 106 9.177 4.486 -9.468 1.00 0.00 O ATOM 1670 CB LEU A 106 7.910 5.337 -6.559 1.00 0.00 C ATOM 1671 CG LEU A 106 7.998 6.395 -5.462 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.940 5.745 -4.093 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.259 7.223 -5.593 1.00 0.00 C ATOM 0 H LEU A 106 6.047 6.746 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 106 8.679 6.536 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.020 4.735 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.769 4.674 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 106 7.143 7.062 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.004 6.513 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.001 5.202 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.774 5.051 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.290 7.967 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.131 6.573 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.265 7.726 -6.560 1.00 0.00 H new ATOM 1685 N PRO A 107 7.031 3.828 -9.289 1.00 0.00 N ATOM 1686 CA PRO A 107 7.165 2.742 -10.259 1.00 0.00 C ATOM 1687 C PRO A 107 7.601 3.231 -11.643 1.00 0.00 C ATOM 1688 O PRO A 107 8.212 2.489 -12.405 1.00 0.00 O ATOM 1689 CB PRO A 107 5.769 2.106 -10.314 1.00 0.00 C ATOM 1690 CG PRO A 107 4.866 3.114 -9.703 1.00 0.00 C ATOM 1691 CD PRO A 107 5.693 3.826 -8.685 1.00 0.00 C ATOM 0 HA PRO A 107 7.942 2.039 -9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.476 1.884 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.741 1.166 -9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.486 3.807 -10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.001 2.637 -9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.330 4.838 -8.506 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.684 3.310 -7.725 1.00 0.00 H new ATOM 1699 N ASN A 108 7.329 4.472 -11.948 1.00 0.00 N ATOM 1700 CA ASN A 108 7.705 5.033 -13.189 1.00 0.00 C ATOM 1701 C ASN A 108 9.127 5.553 -13.112 1.00 0.00 C ATOM 1702 O ASN A 108 9.945 5.282 -13.985 1.00 0.00 O ATOM 1703 CB ASN A 108 6.740 6.146 -13.548 1.00 0.00 C ATOM 1704 CG ASN A 108 5.360 5.641 -13.897 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.502 5.483 -13.025 1.00 0.00 O ATOM 1706 ND2 ASN A 108 5.128 5.394 -15.161 1.00 0.00 N ATOM 0 H ASN A 108 6.836 5.115 -11.328 1.00 0.00 H new ATOM 0 HA ASN A 108 7.665 4.270 -13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.666 6.839 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.140 6.708 -14.392 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.211 5.058 -15.455 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.864 5.537 -15.852 1.00 0.00 H new ATOM 1713 N GLN A 109 9.430 6.231 -12.022 1.00 0.00 N ATOM 1714 CA GLN A 109 10.745 6.846 -11.826 1.00 0.00 C ATOM 1715 C GLN A 109 11.834 5.809 -11.528 1.00 0.00 C ATOM 1716 O GLN A 109 12.965 5.945 -11.959 1.00 0.00 O ATOM 1717 CB GLN A 109 10.684 7.891 -10.705 1.00 0.00 C ATOM 1718 CG GLN A 109 9.696 9.019 -10.975 1.00 0.00 C ATOM 1719 CD GLN A 109 10.015 9.789 -12.245 1.00 0.00 C ATOM 1720 OE1 GLN A 109 11.178 9.919 -12.644 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.002 10.293 -12.892 1.00 0.00 N ATOM 0 H GLN A 109 8.782 6.375 -11.247 1.00 0.00 H new ATOM 0 HA GLN A 109 11.013 7.337 -12.762 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.411 7.396 -9.773 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.677 8.316 -10.562 1.00 0.00 H new ATOM 0 HG2 GLN A 109 8.690 8.605 -11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.696 9.706 -10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.055 10.167 -12.535 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.156 10.813 -13.756 1.00 0.00 H new ATOM 1730 N CYS A 110 11.482 4.777 -10.805 1.00 0.00 N ATOM 1731 CA CYS A 110 12.437 3.736 -10.432 1.00 0.00 C ATOM 1732 C CYS A 110 12.449 2.630 -11.505 1.00 0.00 C ATOM 1733 O CYS A 110 13.243 1.692 -11.448 1.00 0.00 O ATOM 1734 CB CYS A 110 12.063 3.180 -9.040 1.00 0.00 C ATOM 1735 SG CYS A 110 13.292 2.077 -8.241 1.00 0.00 S ATOM 0 H CYS A 110 10.536 4.624 -10.455 1.00 0.00 H new ATOM 0 HA CYS A 110 13.444 4.150 -10.375 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.878 4.023 -8.374 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.124 2.634 -9.132 1.00 0.00 H new ATOM 1740 N ASN A 111 11.556 2.780 -12.501 1.00 0.00 N ATOM 1741 CA ASN A 111 11.422 1.854 -13.647 1.00 0.00 C ATOM 1742 C ASN A 111 11.019 0.446 -13.170 1.00 0.00 C ATOM 1743 O ASN A 111 11.614 -0.576 -13.527 1.00 0.00 O ATOM 1744 CB ASN A 111 12.711 1.841 -14.511 1.00 0.00 C ATOM 1745 CG ASN A 111 12.566 1.041 -15.797 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.477 0.927 -16.346 1.00 0.00 O ATOM 1747 ND2 ASN A 111 13.646 0.496 -16.286 1.00 0.00 N ATOM 0 H ASN A 111 10.897 3.558 -12.535 1.00 0.00 H new ATOM 0 HA ASN A 111 10.619 2.215 -14.289 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.985 2.867 -14.758 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.530 1.426 -13.923 1.00 0.00 H new ATOM 0 HD21 ASN A 111 13.598 -0.044 -17.150 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.538 0.610 -15.804 1.00 0.00 H new ATOM 1754 N LEU A 112 9.986 0.427 -12.373 1.00 0.00 N ATOM 1755 CA LEU A 112 9.451 -0.786 -11.782 1.00 0.00 C ATOM 1756 C LEU A 112 8.399 -1.408 -12.689 1.00 0.00 C ATOM 1757 O LEU A 112 7.794 -0.720 -13.521 1.00 0.00 O ATOM 1758 CB LEU A 112 8.864 -0.482 -10.406 1.00 0.00 C ATOM 1759 CG LEU A 112 9.826 0.212 -9.445 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.170 0.503 -8.101 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.094 -0.612 -9.271 1.00 0.00 C ATOM 0 H LEU A 112 9.476 1.269 -12.106 1.00 0.00 H new ATOM 0 HA LEU A 112 10.262 -1.504 -11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.982 0.145 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.529 -1.416 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 112 10.098 1.172 -9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.887 0.997 -7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.307 1.152 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.845 -0.432 -7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.768 -0.102 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.839 -1.592 -8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.585 -0.733 -10.237 1.00 0.00 H new ATOM 1773 N GLN A 113 8.163 -2.690 -12.499 1.00 0.00 N ATOM 1774 CA GLN A 113 7.265 -3.498 -13.343 1.00 0.00 C ATOM 1775 C GLN A 113 5.797 -3.300 -12.972 1.00 0.00 C ATOM 1776 O GLN A 113 5.013 -4.249 -12.948 1.00 0.00 O ATOM 1777 CB GLN A 113 7.636 -4.961 -13.197 1.00 0.00 C ATOM 1778 CG GLN A 113 9.094 -5.223 -13.450 1.00 0.00 C ATOM 1779 CD GLN A 113 9.474 -6.692 -13.387 1.00 0.00 C ATOM 1780 OE1 GLN A 113 8.782 -7.469 -12.591 1.00 0.00 O flip ATOM 1781 NE2 GLN A 113 10.403 -7.125 -14.067 1.00 0.00 N flip ATOM 0 H GLN A 113 8.592 -3.223 -11.742 1.00 0.00 H new ATOM 0 HA GLN A 113 7.387 -3.173 -14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.381 -5.297 -12.192 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.040 -5.553 -13.892 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.359 -4.831 -14.432 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.685 -4.673 -12.717 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.924 -6.496 -14.678 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.652 -8.113 -14.020 1.00 0.00 H new ATOM 1790 N CYS A 114 5.436 -2.074 -12.761 1.00 0.00 N ATOM 1791 CA CYS A 114 4.125 -1.684 -12.335 1.00 0.00 C ATOM 1792 C CYS A 114 3.926 -0.222 -12.690 1.00 0.00 C ATOM 1793 O CYS A 114 4.908 0.490 -12.944 1.00 0.00 O ATOM 1794 CB CYS A 114 4.035 -1.854 -10.827 1.00 0.00 C ATOM 1795 SG CYS A 114 3.903 -3.577 -10.198 1.00 0.00 S ATOM 0 H CYS A 114 6.070 -1.285 -12.885 1.00 0.00 H new ATOM 0 HA CYS A 114 3.362 -2.294 -12.820 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.916 -1.395 -10.379 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.169 -1.295 -10.472 1.00 0.00 H new ATOM 1800 N SER A 115 2.700 0.219 -12.704 1.00 0.00 N ATOM 1801 CA SER A 115 2.370 1.588 -12.986 1.00 0.00 C ATOM 1802 C SER A 115 1.146 1.975 -12.167 1.00 0.00 C ATOM 1803 O SER A 115 0.243 1.155 -11.973 1.00 0.00 O ATOM 1804 CB SER A 115 2.135 1.769 -14.497 1.00 0.00 C ATOM 1805 OG SER A 115 1.226 0.791 -14.997 1.00 0.00 O ATOM 0 H SER A 115 1.889 -0.371 -12.517 1.00 0.00 H new ATOM 0 HA SER A 115 3.193 2.246 -12.706 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.742 2.767 -14.690 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.084 1.692 -15.027 1.00 0.00 H new ATOM 0 HG SER A 115 1.093 0.929 -15.958 1.00 0.00 H new ATOM 1811 N ILE A 116 1.132 3.174 -11.647 1.00 0.00 N ATOM 1812 CA ILE A 116 0.035 3.622 -10.831 1.00 0.00 C ATOM 1813 C ILE A 116 -0.651 4.791 -11.505 1.00 0.00 C ATOM 1814 O ILE A 116 -1.765 4.608 -12.023 1.00 0.00 O ATOM 1815 CB ILE A 116 0.496 3.991 -9.392 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.166 2.766 -8.754 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.700 4.442 -8.548 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.773 2.995 -7.397 1.00 0.00 C ATOM 1819 OXT ILE A 116 -0.036 5.877 -11.603 1.00 0.00 O ATOM 0 H ILE A 116 1.874 3.862 -11.776 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.676 2.802 -10.729 1.00 0.00 H new ATOM 0 HB ILE A 116 1.208 4.815 -9.438 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.426 1.970 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.946 2.409 -9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.361 4.697 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.161 5.316 -9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.430 3.635 -8.491 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.219 2.068 -7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.542 3.764 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.998 3.319 -6.702 1.00 0.00 H new