USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 742 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 Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 143:sc= -0.133 (180deg=-0.712) USER MOD Single : A 6 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.985 K(o=-0.98,f=-2.9!) USER MOD Single : A 22 THR OG1 : rot -40:sc= -1.69! USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0221 (180deg=-0.264) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 33 THR OG1 : rot -91:sc= 0.428 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 120:sc= -1.56 USER MOD Single : A 46 HIS : no HD1:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.056) USER MOD Single : A 48 CYS SG : rot 140:sc= -2.38! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 179:sc= -0.965 (180deg=-0.977) USER MOD Single : A 56 SER OG : rot -137:sc= -1.35 USER MOD Single : A 58 SER OG : rot -9:sc= 1.02 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 22:sc= -0.194 USER MOD Single : A 66 GLN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0137 (180deg=-0.214) USER MOD Single : A 69 ASN : amide:sc= -1.48 K(o=-1.5,f=-14!) USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= -3.39! (180deg=-5.95!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0272 (180deg=-0.216) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -58:sc= 0.529 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -83:sc= 1.17 USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= -1.45 (180deg=-1.53) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0417 (180deg=-0.274) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -23.734 9.090 -1.241 1.00 0.00 N ATOM 2 CA HIS A 3 -23.390 7.681 -1.569 1.00 0.00 C ATOM 3 C HIS A 3 -22.106 7.248 -0.868 1.00 0.00 C ATOM 4 O HIS A 3 -21.110 7.972 -0.872 1.00 0.00 O ATOM 5 CB HIS A 3 -23.229 7.561 -3.086 1.00 0.00 C ATOM 6 CG HIS A 3 -24.472 7.898 -3.849 1.00 0.00 C ATOM 7 ND1 HIS A 3 -25.658 7.209 -3.700 1.00 0.00 N ATOM 8 CD2 HIS A 3 -24.711 8.858 -4.774 1.00 0.00 C ATOM 9 CE1 HIS A 3 -26.571 7.730 -4.501 1.00 0.00 C ATOM 10 NE2 HIS A 3 -26.021 8.731 -5.162 1.00 0.00 N ATOM 0 HA HIS A 3 -24.190 7.027 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.424 8.220 -3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -22.927 6.543 -3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -24.003 9.587 -5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -27.593 7.394 -4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -26.494 9.316 -5.851 1.00 0.00 H new ATOM 21 N MET A 4 -22.138 6.063 -0.265 1.00 0.00 N ATOM 22 CA MET A 4 -20.979 5.530 0.442 1.00 0.00 C ATOM 23 C MET A 4 -19.888 5.114 -0.555 1.00 0.00 C ATOM 24 O MET A 4 -19.552 5.878 -1.461 1.00 0.00 O ATOM 25 CB MET A 4 -21.402 4.348 1.322 1.00 0.00 C ATOM 26 CG MET A 4 -20.375 3.965 2.378 1.00 0.00 C ATOM 27 SD MET A 4 -20.062 5.293 3.556 1.00 0.00 S ATOM 28 CE MET A 4 -21.693 5.500 4.267 1.00 0.00 C ATOM 0 H MET A 4 -22.956 5.453 -0.252 1.00 0.00 H new ATOM 0 HA MET A 4 -20.566 6.307 1.085 1.00 0.00 H new ATOM 0 HB2 MET A 4 -22.342 4.594 1.816 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.593 3.484 0.685 1.00 0.00 H new ATOM 0 HG2 MET A 4 -20.724 3.083 2.915 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.441 3.691 1.888 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.601 5.721 5.330 1.00 0.00 H new ATOM 0 HE2 MET A 4 -22.206 6.322 3.768 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.266 4.582 4.136 1.00 0.00 H new ATOM 38 N ARG A 5 -19.341 3.907 -0.390 1.00 0.00 N ATOM 39 CA ARG A 5 -18.297 3.407 -1.282 1.00 0.00 C ATOM 40 C ARG A 5 -17.152 4.409 -1.398 1.00 0.00 C ATOM 41 O ARG A 5 -16.639 4.659 -2.490 1.00 0.00 O ATOM 42 CB ARG A 5 -18.871 3.100 -2.671 1.00 0.00 C ATOM 43 CG ARG A 5 -19.830 1.915 -2.699 1.00 0.00 C ATOM 44 CD ARG A 5 -21.112 2.205 -1.933 1.00 0.00 C ATOM 45 NE ARG A 5 -22.028 1.066 -1.935 1.00 0.00 N ATOM 46 CZ ARG A 5 -22.595 0.570 -3.031 1.00 0.00 C ATOM 47 NH1 ARG A 5 -22.359 1.119 -4.215 1.00 0.00 N ATOM 48 NH2 ARG A 5 -23.407 -0.476 -2.943 1.00 0.00 N ATOM 0 H ARG A 5 -19.605 3.260 0.353 1.00 0.00 H new ATOM 0 HA ARG A 5 -17.906 2.484 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -19.391 3.984 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -18.048 2.904 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -20.073 1.669 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -19.340 1.041 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -20.866 2.469 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -21.609 3.069 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 5 -22.246 0.625 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -21.740 1.926 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -22.797 0.734 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -23.596 -0.900 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -23.842 -0.856 -3.784 1.00 0.00 H new ATOM 62 N GLN A 6 -16.757 4.982 -0.266 1.00 0.00 N ATOM 63 CA GLN A 6 -15.676 5.959 -0.238 1.00 0.00 C ATOM 64 C GLN A 6 -14.350 5.322 -0.651 1.00 0.00 C ATOM 65 O GLN A 6 -13.993 4.246 -0.168 1.00 0.00 O ATOM 66 CB GLN A 6 -15.547 6.569 1.159 1.00 0.00 C ATOM 67 CG GLN A 6 -16.811 7.266 1.638 1.00 0.00 C ATOM 68 CD GLN A 6 -16.657 7.869 3.019 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.817 8.742 3.237 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.469 7.405 3.961 1.00 0.00 N ATOM 0 H GLN A 6 -17.171 4.786 0.645 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.917 6.747 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.285 5.783 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.725 7.285 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.079 8.051 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.634 6.551 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.151 6.681 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.411 7.773 4.911 1.00 0.00 H new ATOM 79 N PRO A 7 -13.593 5.981 -1.550 1.00 0.00 N ATOM 80 CA PRO A 7 -12.300 5.470 -2.018 1.00 0.00 C ATOM 81 C PRO A 7 -11.261 5.434 -0.900 1.00 0.00 C ATOM 82 O PRO A 7 -11.239 6.312 -0.037 1.00 0.00 O ATOM 83 CB PRO A 7 -11.887 6.468 -3.105 1.00 0.00 C ATOM 84 CG PRO A 7 -12.638 7.715 -2.790 1.00 0.00 C ATOM 85 CD PRO A 7 -13.935 7.273 -2.174 1.00 0.00 C ATOM 0 HA PRO A 7 -12.372 4.444 -2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.811 6.642 -3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.139 6.096 -4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.075 8.346 -2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.814 8.302 -3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.296 7.992 -1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.719 7.163 -2.923 1.00 0.00 H new ATOM 93 N PRO A 8 -10.383 4.412 -0.896 1.00 0.00 N ATOM 94 CA PRO A 8 -9.341 4.269 0.128 1.00 0.00 C ATOM 95 C PRO A 8 -8.529 5.546 0.314 1.00 0.00 C ATOM 96 O PRO A 8 -8.240 6.256 -0.649 1.00 0.00 O ATOM 97 CB PRO A 8 -8.455 3.149 -0.419 1.00 0.00 C ATOM 98 CG PRO A 8 -9.354 2.345 -1.293 1.00 0.00 C ATOM 99 CD PRO A 8 -10.339 3.316 -1.885 1.00 0.00 C ATOM 0 HA PRO A 8 -9.764 4.056 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.612 3.550 -0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.041 2.543 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.787 1.840 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.866 1.572 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.014 3.671 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.319 2.860 -2.022 1.00 0.00 H new ATOM 107 N LEU A 9 -8.167 5.833 1.562 1.00 0.00 N ATOM 108 CA LEU A 9 -7.389 7.026 1.878 1.00 0.00 C ATOM 109 C LEU A 9 -6.382 6.740 2.988 1.00 0.00 C ATOM 110 O LEU A 9 -6.725 6.752 4.171 1.00 0.00 O ATOM 111 CB LEU A 9 -8.320 8.168 2.297 1.00 0.00 C ATOM 112 CG LEU A 9 -7.621 9.468 2.706 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.791 10.018 1.556 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.643 10.498 3.167 1.00 0.00 C ATOM 0 H LEU A 9 -8.400 5.256 2.370 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.841 7.322 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.997 8.384 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.933 7.827 3.131 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.950 9.250 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.303 10.941 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.035 9.287 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.439 10.221 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.130 11.416 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.338 10.710 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.193 10.107 4.023 1.00 0.00 H new ATOM 126 N VAL A 10 -5.138 6.486 2.593 1.00 0.00 N ATOM 127 CA VAL A 10 -4.073 6.199 3.547 1.00 0.00 C ATOM 128 C VAL A 10 -3.649 7.463 4.291 1.00 0.00 C ATOM 129 O VAL A 10 -3.451 8.515 3.684 1.00 0.00 O ATOM 130 CB VAL A 10 -2.844 5.586 2.845 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.742 5.284 3.849 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.241 4.330 2.083 1.00 0.00 C ATOM 0 H VAL A 10 -4.843 6.473 1.617 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.469 5.478 4.262 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.457 6.313 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.886 4.852 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.439 6.206 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.111 4.577 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.363 3.909 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.655 3.599 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.990 4.581 1.332 1.00 0.00 H new ATOM 142 N THR A 11 -3.511 7.347 5.609 1.00 0.00 N ATOM 143 CA THR A 11 -3.112 8.478 6.443 1.00 0.00 C ATOM 144 C THR A 11 -2.312 8.008 7.656 1.00 0.00 C ATOM 145 O THR A 11 -2.543 8.460 8.778 1.00 0.00 O ATOM 146 CB THR A 11 -4.335 9.279 6.938 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.223 8.420 7.662 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.078 9.923 5.778 1.00 0.00 C ATOM 0 H THR A 11 -3.670 6.481 6.123 1.00 0.00 H new ATOM 0 HA THR A 11 -2.492 9.123 5.820 1.00 0.00 H new ATOM 0 HB THR A 11 -3.975 10.070 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.995 8.936 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.934 10.480 6.159 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.409 10.602 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.424 9.149 5.093 1.00 0.00 H new ATOM 156 N GLY A 12 -1.371 7.097 7.424 1.00 0.00 N ATOM 157 CA GLY A 12 -0.555 6.584 8.509 1.00 0.00 C ATOM 158 C GLY A 12 0.462 5.560 8.045 1.00 0.00 C ATOM 159 O GLY A 12 0.180 4.750 7.161 1.00 0.00 O ATOM 0 H GLY A 12 -1.160 6.706 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.036 7.413 8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.201 6.132 9.262 1.00 0.00 H new ATOM 163 N ILE A 13 1.648 5.596 8.646 1.00 0.00 N ATOM 164 CA ILE A 13 2.716 4.666 8.297 1.00 0.00 C ATOM 165 C ILE A 13 3.808 4.665 9.363 1.00 0.00 C ATOM 166 O ILE A 13 4.278 5.723 9.784 1.00 0.00 O ATOM 167 CB ILE A 13 3.339 5.016 6.927 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.409 3.990 6.548 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.927 6.422 6.948 1.00 0.00 C ATOM 170 CD1 ILE A 13 4.911 4.140 5.128 1.00 0.00 C ATOM 0 H ILE A 13 1.893 6.261 9.379 1.00 0.00 H new ATOM 0 HA ILE A 13 2.271 3.673 8.238 1.00 0.00 H new ATOM 0 HB ILE A 13 2.552 4.987 6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.250 4.083 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.002 2.987 6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.361 6.650 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.140 7.142 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.701 6.481 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.667 3.381 4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.080 4.017 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.348 5.130 4.999 1.00 0.00 H new ATOM 182 N SER A 14 4.208 3.474 9.803 1.00 0.00 N ATOM 183 CA SER A 14 5.242 3.357 10.824 1.00 0.00 C ATOM 184 C SER A 14 6.600 3.809 10.279 1.00 0.00 C ATOM 185 O SER A 14 7.207 4.731 10.824 1.00 0.00 O ATOM 186 CB SER A 14 5.322 1.923 11.358 1.00 0.00 C ATOM 187 OG SER A 14 6.340 1.798 12.335 1.00 0.00 O ATOM 0 H SER A 14 3.835 2.585 9.471 1.00 0.00 H new ATOM 0 HA SER A 14 4.973 4.013 11.652 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.362 1.639 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.517 1.236 10.535 1.00 0.00 H new ATOM 0 HG SER A 14 6.369 0.874 12.661 1.00 0.00 H new ATOM 193 N PRO A 15 7.105 3.181 9.193 1.00 0.00 N ATOM 194 CA PRO A 15 8.380 3.551 8.605 1.00 0.00 C ATOM 195 C PRO A 15 8.226 4.583 7.496 1.00 0.00 C ATOM 196 O PRO A 15 7.498 4.366 6.529 1.00 0.00 O ATOM 197 CB PRO A 15 8.878 2.226 8.041 1.00 0.00 C ATOM 198 CG PRO A 15 7.639 1.472 7.665 1.00 0.00 C ATOM 199 CD PRO A 15 6.487 2.073 8.443 1.00 0.00 C ATOM 0 HA PRO A 15 9.056 4.014 9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.522 2.383 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.464 1.679 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.457 1.544 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.749 0.413 7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.700 2.430 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.032 1.342 9.112 1.00 0.00 H new ATOM 207 N ASN A 16 8.916 5.704 7.640 1.00 0.00 N ATOM 208 CA ASN A 16 8.861 6.770 6.651 1.00 0.00 C ATOM 209 C ASN A 16 9.797 6.477 5.481 1.00 0.00 C ATOM 210 O ASN A 16 9.636 7.028 4.391 1.00 0.00 O ATOM 211 CB ASN A 16 9.210 8.110 7.303 1.00 0.00 C ATOM 212 CG ASN A 16 9.192 9.269 6.323 1.00 0.00 C ATOM 213 OD1 ASN A 16 9.993 9.324 5.390 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.276 10.206 6.534 1.00 0.00 N ATOM 0 H ASN A 16 9.523 5.900 8.436 1.00 0.00 H new ATOM 0 HA ASN A 16 7.846 6.827 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.503 8.311 8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.199 8.040 7.757 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.217 11.011 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.631 10.121 7.320 1.00 0.00 H new ATOM 221 N GLU A 17 10.777 5.608 5.712 1.00 0.00 N ATOM 222 CA GLU A 17 11.738 5.253 4.672 1.00 0.00 C ATOM 223 C GLU A 17 12.388 3.899 4.952 1.00 0.00 C ATOM 224 O GLU A 17 12.731 3.585 6.093 1.00 0.00 O ATOM 225 CB GLU A 17 12.811 6.337 4.558 1.00 0.00 C ATOM 226 CG GLU A 17 13.538 6.614 5.865 1.00 0.00 C ATOM 227 CD GLU A 17 14.610 7.678 5.724 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.268 8.819 5.348 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.791 7.370 5.990 1.00 0.00 O ATOM 0 H GLU A 17 10.926 5.139 6.605 1.00 0.00 H new ATOM 0 HA GLU A 17 11.199 5.177 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.539 6.038 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.348 7.259 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.816 6.929 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.993 5.691 6.226 1.00 0.00 H new ATOM 236 N GLY A 18 12.548 3.101 3.898 1.00 0.00 N ATOM 237 CA GLY A 18 13.148 1.785 4.037 1.00 0.00 C ATOM 238 C GLY A 18 13.200 1.030 2.720 1.00 0.00 C ATOM 239 O GLY A 18 12.366 1.253 1.842 1.00 0.00 O ATOM 0 H GLY A 18 12.271 3.344 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.158 1.889 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.579 1.204 4.763 1.00 0.00 H new ATOM 243 N ILE A 19 14.182 0.140 2.579 1.00 0.00 N ATOM 244 CA ILE A 19 14.337 -0.646 1.357 1.00 0.00 C ATOM 245 C ILE A 19 13.028 -1.349 0.982 1.00 0.00 C ATOM 246 O ILE A 19 12.113 -1.444 1.801 1.00 0.00 O ATOM 247 CB ILE A 19 15.473 -1.683 1.487 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.175 -2.675 2.615 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.802 -0.976 1.722 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.210 -3.772 2.752 1.00 0.00 C ATOM 0 H ILE A 19 14.881 -0.054 3.296 1.00 0.00 H new ATOM 0 HA ILE A 19 14.601 0.051 0.562 1.00 0.00 H new ATOM 0 HB ILE A 19 15.540 -2.246 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.109 -2.131 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.199 -3.128 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.597 -1.716 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.016 -0.315 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.745 -0.391 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.931 -4.435 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.261 -4.342 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.184 -3.329 2.959 1.00 0.00 H new ATOM 262 N PRO A 20 12.906 -1.829 -0.272 1.00 0.00 N ATOM 263 CA PRO A 20 11.686 -2.494 -0.748 1.00 0.00 C ATOM 264 C PRO A 20 11.167 -3.583 0.190 1.00 0.00 C ATOM 265 O PRO A 20 9.974 -3.647 0.468 1.00 0.00 O ATOM 266 CB PRO A 20 12.112 -3.109 -2.080 1.00 0.00 C ATOM 267 CG PRO A 20 13.226 -2.245 -2.561 1.00 0.00 C ATOM 268 CD PRO A 20 13.931 -1.738 -1.332 1.00 0.00 C ATOM 0 HA PRO A 20 10.862 -1.785 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.439 -4.141 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.286 -3.122 -2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.909 -2.809 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.845 -1.417 -3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.806 -2.343 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.279 -0.714 -1.465 1.00 0.00 H new ATOM 276 N TRP A 21 12.051 -4.456 0.653 1.00 0.00 N ATOM 277 CA TRP A 21 11.633 -5.547 1.531 1.00 0.00 C ATOM 278 C TRP A 21 11.280 -5.065 2.936 1.00 0.00 C ATOM 279 O TRP A 21 10.660 -5.801 3.704 1.00 0.00 O ATOM 280 CB TRP A 21 12.708 -6.633 1.601 1.00 0.00 C ATOM 281 CG TRP A 21 13.088 -7.179 0.258 1.00 0.00 C ATOM 282 CD1 TRP A 21 13.973 -6.637 -0.630 1.00 0.00 C ATOM 283 CD2 TRP A 21 12.573 -8.362 -0.360 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.052 -7.422 -1.756 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.199 -8.486 -1.615 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.645 -9.335 0.027 1.00 0.00 C ATOM 287 CZ2 TRP A 21 12.929 -9.542 -2.483 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.376 -10.381 -0.836 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.016 -10.477 -2.078 1.00 0.00 C ATOM 0 H TRP A 21 13.049 -4.434 0.441 1.00 0.00 H new ATOM 0 HA TRP A 21 10.727 -5.968 1.094 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.596 -6.225 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.350 -7.449 2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.529 -5.725 -0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.648 -7.242 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.147 -9.270 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.422 -9.620 -3.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.660 -11.137 -0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.784 -11.306 -2.730 1.00 0.00 H new ATOM 300 N THR A 22 11.667 -3.838 3.276 1.00 0.00 N ATOM 301 CA THR A 22 11.368 -3.299 4.600 1.00 0.00 C ATOM 302 C THR A 22 9.873 -3.367 4.881 1.00 0.00 C ATOM 303 O THR A 22 9.065 -2.817 4.132 1.00 0.00 O ATOM 304 CB THR A 22 11.844 -1.839 4.750 1.00 0.00 C ATOM 305 OG1 THR A 22 13.264 -1.766 4.588 1.00 0.00 O ATOM 306 CG2 THR A 22 11.459 -1.275 6.110 1.00 0.00 C ATOM 0 H THR A 22 12.181 -3.206 2.663 1.00 0.00 H new ATOM 0 HA THR A 22 11.908 -3.913 5.320 1.00 0.00 H new ATOM 0 HB THR A 22 11.356 -1.245 3.977 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.684 -2.531 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.807 -0.245 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.375 -1.301 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.919 -1.874 6.896 1.00 0.00 H new ATOM 314 N LYS A 23 9.513 -4.045 5.964 1.00 0.00 N ATOM 315 CA LYS A 23 8.114 -4.186 6.346 1.00 0.00 C ATOM 316 C LYS A 23 7.493 -2.823 6.615 1.00 0.00 C ATOM 317 O LYS A 23 8.102 -1.971 7.262 1.00 0.00 O ATOM 318 CB LYS A 23 7.989 -5.072 7.587 1.00 0.00 C ATOM 319 CG LYS A 23 6.552 -5.315 8.016 1.00 0.00 C ATOM 320 CD LYS A 23 6.481 -6.157 9.279 1.00 0.00 C ATOM 321 CE LYS A 23 5.042 -6.413 9.696 1.00 0.00 C ATOM 322 NZ LYS A 23 4.302 -5.145 9.943 1.00 0.00 N ATOM 0 H LYS A 23 10.171 -4.506 6.593 1.00 0.00 H new ATOM 0 HA LYS A 23 7.579 -4.656 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.468 -6.031 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.532 -4.609 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.056 -4.360 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.012 -5.816 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.988 -7.108 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.010 -5.650 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.535 -6.984 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.029 -7.023 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.408 -5.354 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.880 -4.515 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.100 -4.678 9.036 1.00 0.00 H new ATOM 336 N VAL A 24 6.279 -2.620 6.115 1.00 0.00 N ATOM 337 CA VAL A 24 5.584 -1.355 6.304 1.00 0.00 C ATOM 338 C VAL A 24 4.115 -1.581 6.654 1.00 0.00 C ATOM 339 O VAL A 24 3.373 -2.215 5.904 1.00 0.00 O ATOM 340 CB VAL A 24 5.684 -0.465 5.046 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.137 -0.126 4.747 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.038 -1.141 3.845 1.00 0.00 C ATOM 0 H VAL A 24 5.758 -3.313 5.578 1.00 0.00 H new ATOM 0 HA VAL A 24 6.071 -0.844 7.134 1.00 0.00 H new ATOM 0 HB VAL A 24 5.144 0.461 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.189 0.502 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.568 0.409 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.697 -1.045 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.123 -0.492 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.543 -2.086 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.985 -1.329 4.056 1.00 0.00 H new ATOM 352 N THR A 25 3.701 -1.056 7.804 1.00 0.00 N ATOM 353 CA THR A 25 2.322 -1.199 8.249 1.00 0.00 C ATOM 354 C THR A 25 1.442 -0.129 7.614 1.00 0.00 C ATOM 355 O THR A 25 1.594 1.060 7.896 1.00 0.00 O ATOM 356 CB THR A 25 2.210 -1.099 9.783 1.00 0.00 C ATOM 357 OG1 THR A 25 3.029 -2.100 10.400 1.00 0.00 O ATOM 358 CG2 THR A 25 0.768 -1.272 10.235 1.00 0.00 C ATOM 0 H THR A 25 4.300 -0.530 8.441 1.00 0.00 H new ATOM 0 HA THR A 25 1.983 -2.187 7.937 1.00 0.00 H new ATOM 0 HB THR A 25 2.553 -0.109 10.085 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.954 -2.029 11.375 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.716 -1.197 11.321 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.151 -0.493 9.788 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.403 -2.250 9.921 1.00 0.00 H new ATOM 366 N ILE A 26 0.523 -0.556 6.757 1.00 0.00 N ATOM 367 CA ILE A 26 -0.376 0.369 6.085 1.00 0.00 C ATOM 368 C ILE A 26 -1.514 0.793 7.006 1.00 0.00 C ATOM 369 O ILE A 26 -2.073 -0.024 7.737 1.00 0.00 O ATOM 370 CB ILE A 26 -0.961 -0.246 4.799 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.167 -0.685 3.863 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.876 0.753 4.104 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.317 -1.355 2.595 1.00 0.00 C ATOM 0 H ILE A 26 0.382 -1.536 6.512 1.00 0.00 H new ATOM 0 HA ILE A 26 0.213 1.246 5.817 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.550 -1.123 5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.765 0.186 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.824 -1.371 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.282 0.305 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.693 1.024 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.309 1.647 3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.540 -1.638 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.890 -2.246 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.949 -0.664 2.037 1.00 0.00 H new ATOM 385 N ARG A 27 -1.852 2.079 6.963 1.00 0.00 N ATOM 386 CA ARG A 27 -2.925 2.622 7.788 1.00 0.00 C ATOM 387 C ARG A 27 -3.669 3.718 7.033 1.00 0.00 C ATOM 388 O ARG A 27 -3.052 4.638 6.498 1.00 0.00 O ATOM 389 CB ARG A 27 -2.359 3.192 9.094 1.00 0.00 C ATOM 390 CG ARG A 27 -1.628 2.172 9.956 1.00 0.00 C ATOM 391 CD ARG A 27 -2.574 1.117 10.512 1.00 0.00 C ATOM 392 NE ARG A 27 -1.892 0.184 11.407 1.00 0.00 N ATOM 393 CZ ARG A 27 -1.311 0.543 12.551 1.00 0.00 C ATOM 394 NH1 ARG A 27 -1.339 1.810 12.946 1.00 0.00 N ATOM 395 NH2 ARG A 27 -0.707 -0.367 13.303 1.00 0.00 N ATOM 0 H ARG A 27 -1.396 2.766 6.363 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.619 1.815 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.675 4.006 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.176 3.622 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.851 1.687 9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.130 2.683 10.780 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.386 1.606 11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.025 0.564 9.688 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.859 -0.800 11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.806 2.513 12.373 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.893 2.081 13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.687 -1.343 13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.262 -0.091 14.179 1.00 0.00 H new ATOM 409 N GLY A 28 -4.993 3.617 6.993 1.00 0.00 N ATOM 410 CA GLY A 28 -5.790 4.611 6.296 1.00 0.00 C ATOM 411 C GLY A 28 -7.276 4.451 6.552 1.00 0.00 C ATOM 412 O GLY A 28 -7.694 4.257 7.693 1.00 0.00 O ATOM 0 H GLY A 28 -5.528 2.866 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.476 5.607 6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.600 4.538 5.225 1.00 0.00 H new ATOM 416 N GLU A 29 -8.073 4.535 5.489 1.00 0.00 N ATOM 417 CA GLU A 29 -9.523 4.402 5.605 1.00 0.00 C ATOM 418 C GLU A 29 -10.133 3.817 4.333 1.00 0.00 C ATOM 419 O GLU A 29 -9.820 4.250 3.225 1.00 0.00 O ATOM 420 CB GLU A 29 -10.161 5.765 5.893 1.00 0.00 C ATOM 421 CG GLU A 29 -9.805 6.347 7.252 1.00 0.00 C ATOM 422 CD GLU A 29 -10.423 5.574 8.403 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.132 4.367 8.538 1.00 0.00 O ATOM 424 OE2 GLU A 29 -11.198 6.179 9.174 1.00 0.00 O ATOM 0 H GLU A 29 -7.739 4.694 4.538 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.725 3.720 6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.855 6.468 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.245 5.668 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.721 6.355 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.138 7.384 7.297 1.00 0.00 H new ATOM 431 N ASN A 30 -11.019 2.842 4.512 1.00 0.00 N ATOM 432 CA ASN A 30 -11.706 2.196 3.397 1.00 0.00 C ATOM 433 C ASN A 30 -10.726 1.572 2.402 1.00 0.00 C ATOM 434 O ASN A 30 -10.924 1.666 1.191 1.00 0.00 O ATOM 435 CB ASN A 30 -12.598 3.206 2.671 1.00 0.00 C ATOM 436 CG ASN A 30 -13.571 3.894 3.607 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.408 3.248 4.239 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.466 5.214 3.699 1.00 0.00 N ATOM 0 H ASN A 30 -11.280 2.479 5.428 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.316 1.395 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.973 3.956 2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.154 2.696 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.094 5.734 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.757 5.708 3.157 1.00 0.00 H new ATOM 445 N LEU A 31 -9.683 0.922 2.910 1.00 0.00 N ATOM 446 CA LEU A 31 -8.701 0.275 2.044 1.00 0.00 C ATOM 447 C LEU A 31 -9.319 -0.910 1.313 1.00 0.00 C ATOM 448 O LEU A 31 -9.026 -1.149 0.142 1.00 0.00 O ATOM 449 CB LEU A 31 -7.476 -0.182 2.842 1.00 0.00 C ATOM 450 CG LEU A 31 -6.445 0.911 3.143 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.067 2.034 3.957 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.246 0.321 3.870 1.00 0.00 C ATOM 0 H LEU A 31 -9.496 0.829 3.908 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.378 1.011 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.816 -0.607 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.982 -0.982 2.291 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.105 1.331 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.315 2.797 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.892 2.475 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.441 1.636 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.522 1.109 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.574 -0.127 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.782 -0.443 3.246 1.00 0.00 H new ATOM 464 N GLY A 32 -10.176 -1.650 2.010 1.00 0.00 N ATOM 465 CA GLY A 32 -10.822 -2.800 1.405 1.00 0.00 C ATOM 466 C GLY A 32 -11.797 -3.484 2.343 1.00 0.00 C ATOM 467 O GLY A 32 -11.474 -3.748 3.501 1.00 0.00 O ATOM 0 H GLY A 32 -10.434 -1.474 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.351 -2.483 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.062 -3.516 1.092 1.00 0.00 H new ATOM 471 N THR A 33 -12.992 -3.773 1.837 1.00 0.00 N ATOM 472 CA THR A 33 -14.022 -4.435 2.630 1.00 0.00 C ATOM 473 C THR A 33 -13.565 -5.821 3.073 1.00 0.00 C ATOM 474 O THR A 33 -13.887 -6.271 4.173 1.00 0.00 O ATOM 475 CB THR A 33 -15.338 -4.570 1.843 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.124 -5.334 0.650 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.897 -3.201 1.481 1.00 0.00 C ATOM 0 H THR A 33 -13.271 -3.559 0.880 1.00 0.00 H new ATOM 0 HA THR A 33 -14.195 -3.812 3.508 1.00 0.00 H new ATOM 0 HB THR A 33 -16.060 -5.084 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.897 -4.731 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.827 -3.323 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.090 -2.634 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.175 -2.664 0.866 1.00 0.00 H new ATOM 485 N GLY A 34 -12.815 -6.493 2.205 1.00 0.00 N ATOM 486 CA GLY A 34 -12.326 -7.824 2.514 1.00 0.00 C ATOM 487 C GLY A 34 -11.188 -8.248 1.602 1.00 0.00 C ATOM 488 O GLY A 34 -10.874 -7.547 0.639 1.00 0.00 O ATOM 0 H GLY A 34 -12.537 -6.138 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.988 -7.853 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.144 -8.539 2.426 1.00 0.00 H new ATOM 492 N PRO A 35 -10.544 -9.396 1.882 1.00 0.00 N ATOM 493 CA PRO A 35 -9.430 -9.896 1.069 1.00 0.00 C ATOM 494 C PRO A 35 -9.784 -9.972 -0.412 1.00 0.00 C ATOM 495 O PRO A 35 -8.999 -9.567 -1.270 1.00 0.00 O ATOM 496 CB PRO A 35 -9.177 -11.297 1.631 1.00 0.00 C ATOM 497 CG PRO A 35 -9.681 -11.241 3.031 1.00 0.00 C ATOM 498 CD PRO A 35 -10.848 -10.293 3.014 1.00 0.00 C ATOM 0 HA PRO A 35 -8.561 -9.240 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.702 -12.057 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.117 -11.550 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.986 -12.229 3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.904 -10.892 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.791 -10.819 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.932 -9.743 3.951 1.00 0.00 H new ATOM 506 N THR A 36 -10.973 -10.490 -0.704 1.00 0.00 N ATOM 507 CA THR A 36 -11.436 -10.615 -2.081 1.00 0.00 C ATOM 508 C THR A 36 -11.572 -9.246 -2.741 1.00 0.00 C ATOM 509 O THR A 36 -11.247 -9.079 -3.915 1.00 0.00 O ATOM 510 CB THR A 36 -12.791 -11.345 -2.153 1.00 0.00 C ATOM 511 OG1 THR A 36 -13.772 -10.636 -1.387 1.00 0.00 O ATOM 512 CG2 THR A 36 -12.667 -12.769 -1.631 1.00 0.00 C ATOM 0 H THR A 36 -11.633 -10.830 -0.005 1.00 0.00 H new ATOM 0 HA THR A 36 -10.688 -11.200 -2.616 1.00 0.00 H new ATOM 0 HB THR A 36 -13.103 -11.382 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.630 -11.106 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.636 -13.264 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.942 -13.316 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.334 -12.748 -0.593 1.00 0.00 H new ATOM 520 N ASP A 37 -12.058 -8.274 -1.974 1.00 0.00 N ATOM 521 CA ASP A 37 -12.243 -6.917 -2.477 1.00 0.00 C ATOM 522 C ASP A 37 -10.928 -6.341 -2.996 1.00 0.00 C ATOM 523 O ASP A 37 -10.900 -5.669 -4.026 1.00 0.00 O ATOM 524 CB ASP A 37 -12.812 -6.018 -1.375 1.00 0.00 C ATOM 525 CG ASP A 37 -13.078 -4.603 -1.853 1.00 0.00 C ATOM 526 OD1 ASP A 37 -12.111 -3.911 -2.232 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.257 -4.189 -1.850 1.00 0.00 O ATOM 0 H ASP A 37 -12.331 -8.402 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.949 -6.956 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.740 -6.451 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.114 -5.989 -0.538 1.00 0.00 H new ATOM 532 N LEU A 38 -9.845 -6.608 -2.272 1.00 0.00 N ATOM 533 CA LEU A 38 -8.521 -6.120 -2.652 1.00 0.00 C ATOM 534 C LEU A 38 -7.973 -6.934 -3.825 1.00 0.00 C ATOM 535 O LEU A 38 -7.000 -7.675 -3.680 1.00 0.00 O ATOM 536 CB LEU A 38 -7.570 -6.204 -1.453 1.00 0.00 C ATOM 537 CG LEU A 38 -6.490 -5.118 -1.386 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.627 -5.306 -0.150 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.629 -5.124 -2.639 1.00 0.00 C ATOM 0 H LEU A 38 -9.858 -7.162 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.603 -5.079 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.162 -6.159 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.080 -7.178 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.988 -4.150 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.865 -4.527 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.250 -5.242 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.146 -6.283 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.872 -4.344 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.142 -6.094 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.255 -4.939 -3.512 1.00 0.00 H new ATOM 551 N ILE A 39 -8.616 -6.804 -4.982 1.00 0.00 N ATOM 552 CA ILE A 39 -8.209 -7.537 -6.177 1.00 0.00 C ATOM 553 C ILE A 39 -6.925 -6.980 -6.777 1.00 0.00 C ATOM 554 O ILE A 39 -6.124 -7.722 -7.344 1.00 0.00 O ATOM 555 CB ILE A 39 -9.309 -7.523 -7.256 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.667 -6.083 -7.642 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.538 -8.271 -6.762 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.684 -5.986 -8.759 1.00 0.00 C ATOM 0 H ILE A 39 -9.424 -6.196 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.034 -8.563 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.932 -8.027 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.055 -5.567 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.759 -5.561 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.308 -8.254 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.270 -9.304 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.917 -7.792 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.887 -4.937 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.291 -6.472 -9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.607 -6.478 -8.454 1.00 0.00 H new ATOM 570 N GLY A 40 -6.739 -5.669 -6.669 1.00 0.00 N ATOM 571 CA GLY A 40 -5.552 -5.048 -7.231 1.00 0.00 C ATOM 572 C GLY A 40 -4.776 -4.210 -6.232 1.00 0.00 C ATOM 573 O GLY A 40 -5.363 -3.497 -5.418 1.00 0.00 O ATOM 0 H GLY A 40 -7.383 -5.028 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.898 -5.825 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.844 -4.419 -8.072 1.00 0.00 H new ATOM 577 N LEU A 41 -3.448 -4.289 -6.309 1.00 0.00 N ATOM 578 CA LEU A 41 -2.577 -3.525 -5.422 1.00 0.00 C ATOM 579 C LEU A 41 -1.275 -3.169 -6.127 1.00 0.00 C ATOM 580 O LEU A 41 -0.753 -3.954 -6.917 1.00 0.00 O ATOM 581 CB LEU A 41 -2.264 -4.297 -4.142 1.00 0.00 C ATOM 582 CG LEU A 41 -1.428 -3.520 -3.123 1.00 0.00 C ATOM 583 CD1 LEU A 41 -2.176 -2.287 -2.643 1.00 0.00 C ATOM 584 CD2 LEU A 41 -1.060 -4.404 -1.951 1.00 0.00 C ATOM 0 H LEU A 41 -2.952 -4.877 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.109 -2.612 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.202 -4.594 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.735 -5.213 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.510 -3.196 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.564 -1.749 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.389 -1.637 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.112 -2.589 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.466 -3.833 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.968 -4.760 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.481 -5.256 -2.306 1.00 0.00 H new ATOM 596 N THR A 42 -0.761 -1.981 -5.827 1.00 0.00 N ATOM 597 CA THR A 42 0.481 -1.498 -6.426 1.00 0.00 C ATOM 598 C THR A 42 1.084 -0.363 -5.609 1.00 0.00 C ATOM 599 O THR A 42 0.367 0.498 -5.097 1.00 0.00 O ATOM 600 CB THR A 42 0.269 -0.983 -7.865 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.902 -0.162 -7.925 1.00 0.00 O ATOM 602 CG2 THR A 42 0.152 -2.127 -8.862 1.00 0.00 C ATOM 0 H THR A 42 -1.188 -1.330 -5.168 1.00 0.00 H new ATOM 0 HA THR A 42 1.157 -2.353 -6.442 1.00 0.00 H new ATOM 0 HB THR A 42 1.144 -0.392 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.028 0.162 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.004 -1.723 -9.863 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.065 -2.722 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.697 -2.757 -8.595 1.00 0.00 H new ATOM 610 N ILE A 43 2.407 -0.354 -5.513 1.00 0.00 N ATOM 611 CA ILE A 43 3.114 0.690 -4.786 1.00 0.00 C ATOM 612 C ILE A 43 4.183 1.304 -5.679 1.00 0.00 C ATOM 613 O ILE A 43 5.125 0.622 -6.086 1.00 0.00 O ATOM 614 CB ILE A 43 3.764 0.151 -3.495 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.688 -0.405 -2.556 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.566 1.248 -2.809 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.236 -0.959 -1.257 1.00 0.00 C ATOM 0 H ILE A 43 3.013 -1.060 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 43 2.385 1.448 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 43 4.447 -0.658 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.973 0.386 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.140 -1.192 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.019 0.853 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.349 1.601 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.905 2.077 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.415 -1.334 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.929 -1.773 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.759 -0.170 -0.717 1.00 0.00 H new ATOM 629 N CYS A 44 4.013 2.589 -5.992 1.00 0.00 N ATOM 630 CA CYS A 44 4.940 3.314 -6.860 1.00 0.00 C ATOM 631 C CYS A 44 4.758 2.891 -8.318 1.00 0.00 C ATOM 632 O CYS A 44 4.882 3.708 -9.231 1.00 0.00 O ATOM 633 CB CYS A 44 6.392 3.094 -6.428 1.00 0.00 C ATOM 634 SG CYS A 44 7.587 4.106 -7.331 1.00 0.00 S ATOM 0 H CYS A 44 3.234 3.153 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 44 4.713 4.376 -6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.480 3.309 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.646 2.043 -6.563 1.00 0.00 H new ATOM 0 HG CYS A 44 8.228 4.869 -6.496 1.00 0.00 H new ATOM 640 N GLY A 45 4.463 1.609 -8.532 1.00 0.00 N ATOM 641 CA GLY A 45 4.268 1.101 -9.876 1.00 0.00 C ATOM 642 C GLY A 45 4.304 -0.415 -9.935 1.00 0.00 C ATOM 643 O GLY A 45 3.577 -1.032 -10.713 1.00 0.00 O ATOM 0 H GLY A 45 4.356 0.913 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.310 1.454 -10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.041 1.505 -10.530 1.00 0.00 H new ATOM 647 N HIS A 46 5.164 -1.013 -9.114 1.00 0.00 N ATOM 648 CA HIS A 46 5.312 -2.465 -9.071 1.00 0.00 C ATOM 649 C HIS A 46 4.175 -3.122 -8.292 1.00 0.00 C ATOM 650 O HIS A 46 3.746 -2.618 -7.254 1.00 0.00 O ATOM 651 CB HIS A 46 6.660 -2.832 -8.445 1.00 0.00 C ATOM 652 CG HIS A 46 6.904 -4.306 -8.356 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.021 -5.120 -9.463 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.058 -5.114 -7.280 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.237 -6.363 -9.072 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.265 -6.386 -7.752 1.00 0.00 N ATOM 0 H HIS A 46 5.772 -0.511 -8.467 1.00 0.00 H new ATOM 0 HA HIS A 46 5.272 -2.838 -10.094 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.458 -2.376 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.714 -2.403 -7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.024 -4.813 -6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.368 -7.216 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.416 -7.215 -7.177 1.00 0.00 H new ATOM 665 N ASN A 47 3.699 -4.256 -8.801 1.00 0.00 N ATOM 666 CA ASN A 47 2.617 -4.999 -8.160 1.00 0.00 C ATOM 667 C ASN A 47 3.067 -5.570 -6.818 1.00 0.00 C ATOM 668 O ASN A 47 4.247 -5.848 -6.616 1.00 0.00 O ATOM 669 CB ASN A 47 2.136 -6.130 -9.070 1.00 0.00 C ATOM 670 CG ASN A 47 1.005 -6.928 -8.451 1.00 0.00 C ATOM 671 OD1 ASN A 47 -0.066 -6.392 -8.165 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.238 -8.218 -8.239 1.00 0.00 N ATOM 0 H ASN A 47 4.048 -4.682 -9.660 1.00 0.00 H new ATOM 0 HA ASN A 47 1.793 -4.308 -7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.804 -5.712 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.970 -6.797 -9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.515 -8.805 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.140 -8.621 -8.491 1.00 0.00 H new ATOM 679 N CYS A 48 2.116 -5.743 -5.904 1.00 0.00 N ATOM 680 CA CYS A 48 2.418 -6.281 -4.580 1.00 0.00 C ATOM 681 C CYS A 48 1.168 -6.846 -3.911 1.00 0.00 C ATOM 682 O CYS A 48 0.917 -6.600 -2.731 1.00 0.00 O ATOM 683 CB CYS A 48 3.037 -5.196 -3.699 1.00 0.00 C ATOM 684 SG CYS A 48 2.208 -3.595 -3.808 1.00 0.00 S ATOM 0 H CYS A 48 1.132 -5.519 -6.055 1.00 0.00 H new ATOM 0 HA CYS A 48 3.132 -7.095 -4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.020 -5.532 -2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.084 -5.071 -3.977 1.00 0.00 H new ATOM 0 HG CYS A 48 2.138 -3.061 -2.625 1.00 0.00 H new ATOM 690 N LEU A 49 0.390 -7.608 -4.674 1.00 0.00 N ATOM 691 CA LEU A 49 -0.834 -8.213 -4.159 1.00 0.00 C ATOM 692 C LEU A 49 -0.563 -9.578 -3.526 1.00 0.00 C ATOM 693 O LEU A 49 -1.058 -9.878 -2.440 1.00 0.00 O ATOM 694 CB LEU A 49 -1.862 -8.358 -5.284 1.00 0.00 C ATOM 695 CG LEU A 49 -3.145 -9.098 -4.899 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.944 -8.294 -3.887 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.981 -9.392 -6.135 1.00 0.00 C ATOM 0 H LEU A 49 0.586 -7.821 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.230 -7.555 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.128 -7.364 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.394 -8.883 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.870 -10.047 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.852 -8.837 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.344 -8.139 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.210 -7.328 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.890 -9.919 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.246 -8.456 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.407 -10.013 -6.823 1.00 0.00 H new ATOM 709 N LEU A 50 0.211 -10.408 -4.222 1.00 0.00 N ATOM 710 CA LEU A 50 0.532 -11.751 -3.742 1.00 0.00 C ATOM 711 C LEU A 50 1.144 -11.724 -2.342 1.00 0.00 C ATOM 712 O LEU A 50 0.844 -12.582 -1.511 1.00 0.00 O ATOM 713 CB LEU A 50 1.482 -12.465 -4.714 1.00 0.00 C ATOM 714 CG LEU A 50 2.911 -11.911 -4.786 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.809 -12.872 -5.553 1.00 0.00 C ATOM 716 CD2 LEU A 50 2.936 -10.538 -5.444 1.00 0.00 C ATOM 0 H LEU A 50 0.629 -10.174 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.406 -12.304 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.535 -13.517 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.047 -12.424 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 50 3.284 -11.807 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.820 -12.468 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.826 -13.837 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.425 -13.000 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.962 -10.171 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.541 -10.613 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.324 -9.846 -4.866 1.00 0.00 H new ATOM 728 N THR A 51 2.008 -10.746 -2.086 1.00 0.00 N ATOM 729 CA THR A 51 2.662 -10.630 -0.787 1.00 0.00 C ATOM 730 C THR A 51 1.751 -9.975 0.246 1.00 0.00 C ATOM 731 O THR A 51 1.747 -10.358 1.415 1.00 0.00 O ATOM 732 CB THR A 51 3.968 -9.821 -0.888 1.00 0.00 C ATOM 733 OG1 THR A 51 3.696 -8.512 -1.405 1.00 0.00 O ATOM 734 CG2 THR A 51 4.975 -10.528 -1.784 1.00 0.00 C ATOM 0 H THR A 51 2.271 -10.025 -2.758 1.00 0.00 H new ATOM 0 HA THR A 51 2.891 -11.645 -0.464 1.00 0.00 H new ATOM 0 HB THR A 51 4.394 -9.734 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.532 -8.004 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.890 -9.938 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.202 -11.511 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.555 -10.643 -2.783 1.00 0.00 H new ATOM 742 N ALA A 52 0.985 -8.981 -0.190 1.00 0.00 N ATOM 743 CA ALA A 52 0.076 -8.267 0.700 1.00 0.00 C ATOM 744 C ALA A 52 -0.957 -9.201 1.318 1.00 0.00 C ATOM 745 O ALA A 52 -1.537 -10.045 0.636 1.00 0.00 O ATOM 746 CB ALA A 52 -0.615 -7.138 -0.047 1.00 0.00 C ATOM 0 H ALA A 52 0.975 -8.651 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 52 0.670 -7.848 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.290 -6.614 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.133 -6.441 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.184 -7.548 -0.881 1.00 0.00 H new ATOM 752 N GLU A 53 -1.182 -9.036 2.619 1.00 0.00 N ATOM 753 CA GLU A 53 -2.148 -9.854 3.342 1.00 0.00 C ATOM 754 C GLU A 53 -3.197 -8.975 4.017 1.00 0.00 C ATOM 755 O GLU A 53 -2.863 -8.036 4.741 1.00 0.00 O ATOM 756 CB GLU A 53 -1.435 -10.711 4.390 1.00 0.00 C ATOM 757 CG GLU A 53 -2.372 -11.585 5.207 1.00 0.00 C ATOM 758 CD GLU A 53 -1.640 -12.401 6.256 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.990 -11.793 7.133 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.717 -13.646 6.200 1.00 0.00 O ATOM 0 H GLU A 53 -0.706 -8.341 3.194 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.648 -10.508 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.704 -11.346 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.881 -10.058 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.117 -10.956 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.911 -12.257 4.539 1.00 0.00 H new ATOM 767 N TRP A 54 -4.467 -9.283 3.770 1.00 0.00 N ATOM 768 CA TRP A 54 -5.566 -8.519 4.351 1.00 0.00 C ATOM 769 C TRP A 54 -5.652 -8.749 5.857 1.00 0.00 C ATOM 770 O TRP A 54 -5.368 -9.844 6.346 1.00 0.00 O ATOM 771 CB TRP A 54 -6.891 -8.907 3.694 1.00 0.00 C ATOM 772 CG TRP A 54 -8.010 -7.967 4.025 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.334 -6.817 3.367 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.935 -8.082 5.113 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.415 -6.218 3.967 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.800 -6.974 5.043 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.118 -9.018 6.135 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.833 -6.777 5.957 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.143 -8.820 7.042 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.989 -7.707 6.948 1.00 0.00 C ATOM 0 H TRP A 54 -4.760 -10.056 3.172 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.373 -7.462 4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.758 -8.937 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.165 -9.914 4.010 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.816 -6.433 2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.859 -5.352 3.661 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.471 -9.879 6.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.487 -5.921 5.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.294 -9.536 7.837 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.780 -7.581 7.672 1.00 0.00 H new ATOM 791 N MET A 55 -6.051 -7.713 6.589 1.00 0.00 N ATOM 792 CA MET A 55 -6.180 -7.801 8.040 1.00 0.00 C ATOM 793 C MET A 55 -7.377 -6.990 8.525 1.00 0.00 C ATOM 794 O MET A 55 -8.131 -7.432 9.392 1.00 0.00 O ATOM 795 CB MET A 55 -4.908 -7.298 8.726 1.00 0.00 C ATOM 796 CG MET A 55 -3.669 -8.115 8.396 1.00 0.00 C ATOM 797 SD MET A 55 -2.180 -7.469 9.181 1.00 0.00 S ATOM 798 CE MET A 55 -2.612 -7.622 10.912 1.00 0.00 C ATOM 0 H MET A 55 -6.291 -6.801 6.200 1.00 0.00 H new ATOM 0 HA MET A 55 -6.333 -8.849 8.299 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.736 -6.261 8.437 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.061 -7.307 9.805 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.824 -9.146 8.713 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.527 -8.132 7.315 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.780 -7.278 11.526 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.493 -7.016 11.122 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.826 -8.666 11.143 1.00 0.00 H new ATOM 808 N SER A 56 -7.540 -5.801 7.956 1.00 0.00 N ATOM 809 CA SER A 56 -8.640 -4.918 8.323 1.00 0.00 C ATOM 810 C SER A 56 -8.770 -3.787 7.311 1.00 0.00 C ATOM 811 O SER A 56 -7.857 -3.543 6.521 1.00 0.00 O ATOM 812 CB SER A 56 -8.422 -4.344 9.725 1.00 0.00 C ATOM 813 OG SER A 56 -7.225 -3.589 9.788 1.00 0.00 O ATOM 0 H SER A 56 -6.922 -5.426 7.237 1.00 0.00 H new ATOM 0 HA SER A 56 -9.562 -5.499 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.268 -3.713 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.382 -5.156 10.451 1.00 0.00 H new ATOM 0 HG SER A 56 -6.749 -3.800 10.618 1.00 0.00 H new ATOM 819 N ALA A 57 -9.909 -3.102 7.333 1.00 0.00 N ATOM 820 CA ALA A 57 -10.152 -1.998 6.411 1.00 0.00 C ATOM 821 C ALA A 57 -9.310 -0.772 6.770 1.00 0.00 C ATOM 822 O ALA A 57 -9.695 0.358 6.472 1.00 0.00 O ATOM 823 CB ALA A 57 -11.631 -1.639 6.405 1.00 0.00 C ATOM 0 H ALA A 57 -10.677 -3.291 7.978 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.857 -2.322 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.802 -0.814 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.214 -2.504 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.937 -1.342 7.408 1.00 0.00 H new ATOM 829 N SER A 58 -8.158 -1.005 7.399 1.00 0.00 N ATOM 830 CA SER A 58 -7.260 0.077 7.791 1.00 0.00 C ATOM 831 C SER A 58 -5.896 -0.472 8.202 1.00 0.00 C ATOM 832 O SER A 58 -5.187 0.139 9.001 1.00 0.00 O ATOM 833 CB SER A 58 -7.859 0.877 8.953 1.00 0.00 C ATOM 834 OG SER A 58 -9.060 1.524 8.573 1.00 0.00 O ATOM 0 H SER A 58 -7.826 -1.937 7.648 1.00 0.00 H new ATOM 0 HA SER A 58 -7.132 0.734 6.930 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.054 0.210 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.138 1.619 9.296 1.00 0.00 H new ATOM 0 HG SER A 58 -9.184 1.441 7.604 1.00 0.00 H new ATOM 840 N LYS A 59 -5.530 -1.628 7.649 1.00 0.00 N ATOM 841 CA LYS A 59 -4.246 -2.251 7.963 1.00 0.00 C ATOM 842 C LYS A 59 -3.906 -3.340 6.949 1.00 0.00 C ATOM 843 O LYS A 59 -4.725 -4.214 6.667 1.00 0.00 O ATOM 844 CB LYS A 59 -4.276 -2.847 9.372 1.00 0.00 C ATOM 845 CG LYS A 59 -2.973 -3.520 9.778 1.00 0.00 C ATOM 846 CD LYS A 59 -3.080 -4.174 11.148 1.00 0.00 C ATOM 847 CE LYS A 59 -3.368 -3.154 12.240 1.00 0.00 C ATOM 848 NZ LYS A 59 -3.463 -3.790 13.584 1.00 0.00 N ATOM 0 H LYS A 59 -6.102 -2.149 6.985 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.477 -1.480 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.505 -2.056 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.085 -3.575 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.705 -4.272 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.170 -2.783 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.872 -4.923 11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.151 -4.697 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.580 -2.401 12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.301 -2.637 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.660 -3.062 14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.231 -4.491 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.564 -4.262 13.809 1.00 0.00 H new ATOM 862 N ILE A 60 -2.688 -3.284 6.410 1.00 0.00 N ATOM 863 CA ILE A 60 -2.236 -4.268 5.430 1.00 0.00 C ATOM 864 C ILE A 60 -0.720 -4.450 5.495 1.00 0.00 C ATOM 865 O ILE A 60 0.037 -3.511 5.252 1.00 0.00 O ATOM 866 CB ILE A 60 -2.616 -3.851 3.989 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.135 -3.699 3.848 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.087 -4.868 2.984 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.575 -3.220 2.481 1.00 0.00 C ATOM 0 H ILE A 60 -1.998 -2.568 6.636 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.733 -5.206 5.678 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.156 -2.885 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.608 -4.659 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.492 -2.997 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.363 -4.560 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.001 -4.926 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.518 -5.847 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.662 -3.137 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.132 -2.245 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.249 -3.933 1.723 1.00 0.00 H new ATOM 881 N VAL A 61 -0.286 -5.669 5.804 1.00 0.00 N ATOM 882 CA VAL A 61 1.139 -5.977 5.878 1.00 0.00 C ATOM 883 C VAL A 61 1.643 -6.444 4.517 1.00 0.00 C ATOM 884 O VAL A 61 1.048 -7.327 3.900 1.00 0.00 O ATOM 885 CB VAL A 61 1.432 -7.059 6.934 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.915 -7.400 6.961 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.964 -6.602 8.307 1.00 0.00 C ATOM 0 H VAL A 61 -0.899 -6.458 6.007 1.00 0.00 H new ATOM 0 HA VAL A 61 1.659 -5.065 6.172 1.00 0.00 H new ATOM 0 HB VAL A 61 0.881 -7.960 6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.098 -8.166 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.221 -7.772 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.489 -6.506 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.179 -7.378 9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.487 -5.686 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.109 -6.413 8.281 1.00 0.00 H new ATOM 897 N CYS A 62 2.730 -5.842 4.044 1.00 0.00 N ATOM 898 CA CYS A 62 3.284 -6.200 2.744 1.00 0.00 C ATOM 899 C CYS A 62 4.646 -5.551 2.519 1.00 0.00 C ATOM 900 O CYS A 62 4.924 -4.473 3.043 1.00 0.00 O ATOM 901 CB CYS A 62 2.323 -5.770 1.634 1.00 0.00 C ATOM 902 SG CYS A 62 2.062 -3.984 1.539 1.00 0.00 S ATOM 0 H CYS A 62 3.241 -5.110 4.537 1.00 0.00 H new ATOM 0 HA CYS A 62 3.415 -7.282 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.709 -6.122 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.362 -6.260 1.790 1.00 0.00 H new ATOM 0 HG CYS A 62 3.057 -3.369 2.107 1.00 0.00 H new ATOM 908 N ARG A 63 5.483 -6.208 1.721 1.00 0.00 N ATOM 909 CA ARG A 63 6.806 -5.686 1.411 1.00 0.00 C ATOM 910 C ARG A 63 6.722 -4.677 0.273 1.00 0.00 C ATOM 911 O ARG A 63 6.051 -4.912 -0.732 1.00 0.00 O ATOM 912 CB ARG A 63 7.760 -6.820 1.028 1.00 0.00 C ATOM 913 CG ARG A 63 8.372 -7.550 2.216 1.00 0.00 C ATOM 914 CD ARG A 63 7.319 -8.171 3.118 1.00 0.00 C ATOM 915 NE ARG A 63 6.504 -9.159 2.415 1.00 0.00 N ATOM 916 CZ ARG A 63 5.542 -9.872 2.995 1.00 0.00 C ATOM 917 NH1 ARG A 63 5.280 -9.712 4.285 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.844 -10.747 2.284 1.00 0.00 N ATOM 0 H ARG A 63 5.267 -7.101 1.279 1.00 0.00 H new ATOM 0 HA ARG A 63 7.193 -5.190 2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.221 -7.540 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.563 -6.412 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.042 -8.330 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.977 -6.853 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.806 -8.645 3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.674 -7.387 3.515 1.00 0.00 H new ATOM 0 HE ARG A 63 6.683 -9.311 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.816 -9.041 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.542 -10.260 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.045 -10.874 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.107 -11.293 2.729 1.00 0.00 H new ATOM 932 N VAL A 64 7.402 -3.552 0.448 1.00 0.00 N ATOM 933 CA VAL A 64 7.404 -2.491 -0.554 1.00 0.00 C ATOM 934 C VAL A 64 7.898 -3.017 -1.897 1.00 0.00 C ATOM 935 O VAL A 64 8.958 -3.640 -1.978 1.00 0.00 O ATOM 936 CB VAL A 64 8.301 -1.317 -0.124 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.821 -0.015 -0.747 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.371 -1.217 1.392 1.00 0.00 C ATOM 0 H VAL A 64 7.961 -3.349 1.276 1.00 0.00 H new ATOM 0 HA VAL A 64 6.376 -2.140 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 64 9.311 -1.505 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.470 0.801 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.849 -0.099 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.799 0.187 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.011 -0.380 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.370 -1.059 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.783 -2.141 1.799 1.00 0.00 H new ATOM 948 N GLY A 65 7.124 -2.767 -2.943 1.00 0.00 N ATOM 949 CA GLY A 65 7.497 -3.224 -4.269 1.00 0.00 C ATOM 950 C GLY A 65 8.453 -2.283 -4.970 1.00 0.00 C ATOM 951 O GLY A 65 8.125 -1.740 -6.024 1.00 0.00 O ATOM 0 H GLY A 65 6.243 -2.255 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.956 -4.209 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.598 -3.338 -4.875 1.00 0.00 H new ATOM 955 N GLN A 66 9.631 -2.092 -4.380 1.00 0.00 N ATOM 956 CA GLN A 66 10.654 -1.213 -4.946 1.00 0.00 C ATOM 957 C GLN A 66 10.043 0.089 -5.464 1.00 0.00 C ATOM 958 O GLN A 66 9.132 0.640 -4.847 1.00 0.00 O ATOM 959 CB GLN A 66 11.428 -1.940 -6.056 1.00 0.00 C ATOM 960 CG GLN A 66 10.586 -2.324 -7.264 1.00 0.00 C ATOM 961 CD GLN A 66 11.393 -3.026 -8.338 1.00 0.00 C ATOM 962 OE1 GLN A 66 11.970 -4.089 -8.102 1.00 0.00 O ATOM 963 NE2 GLN A 66 11.438 -2.436 -9.527 1.00 0.00 N ATOM 0 H GLN A 66 9.903 -2.538 -3.504 1.00 0.00 H new ATOM 0 HA GLN A 66 11.354 -0.951 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.247 -1.302 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.875 -2.842 -5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.772 -2.974 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.131 -1.427 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.945 -1.556 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.965 -2.863 -10.289 1.00 0.00 H new ATOM 972 N ALA A 67 10.545 0.579 -6.596 1.00 0.00 N ATOM 973 CA ALA A 67 10.037 1.814 -7.177 1.00 0.00 C ATOM 974 C ALA A 67 10.263 1.847 -8.684 1.00 0.00 C ATOM 975 O ALA A 67 11.398 1.790 -9.155 1.00 0.00 O ATOM 976 CB ALA A 67 10.697 3.013 -6.517 1.00 0.00 C ATOM 0 H ALA A 67 11.299 0.140 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 67 8.963 1.857 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.310 3.931 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.480 3.005 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.775 2.964 -6.669 1.00 0.00 H new ATOM 982 N LYS A 68 9.169 1.945 -9.431 1.00 0.00 N ATOM 983 CA LYS A 68 9.233 1.991 -10.886 1.00 0.00 C ATOM 984 C LYS A 68 9.555 3.401 -11.369 1.00 0.00 C ATOM 985 O LYS A 68 10.250 3.584 -12.369 1.00 0.00 O ATOM 986 CB LYS A 68 7.909 1.516 -11.488 1.00 0.00 C ATOM 987 CG LYS A 68 7.525 0.102 -11.073 1.00 0.00 C ATOM 988 CD LYS A 68 8.569 -0.918 -11.508 1.00 0.00 C ATOM 989 CE LYS A 68 8.742 -0.938 -13.019 1.00 0.00 C ATOM 990 NZ LYS A 68 7.468 -1.257 -13.721 1.00 0.00 N ATOM 0 H LYS A 68 8.224 1.994 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 68 10.031 1.325 -11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.116 2.202 -11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.976 1.561 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.405 0.061 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.560 -0.156 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.523 -0.686 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.275 -1.909 -11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.108 0.032 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.499 -1.675 -13.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.665 -1.461 -14.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.027 -2.088 -13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.822 -0.445 -13.654 1.00 0.00 H new ATOM 1004 N ASN A 69 9.040 4.392 -10.652 1.00 0.00 N ATOM 1005 CA ASN A 69 9.263 5.790 -10.998 1.00 0.00 C ATOM 1006 C ASN A 69 9.518 6.623 -9.738 1.00 0.00 C ATOM 1007 O ASN A 69 10.361 6.263 -8.916 1.00 0.00 O ATOM 1008 CB ASN A 69 8.067 6.330 -11.791 1.00 0.00 C ATOM 1009 CG ASN A 69 6.743 6.094 -11.088 1.00 0.00 C ATOM 1010 OD1 ASN A 69 6.524 6.563 -9.973 1.00 0.00 O ATOM 1011 ND2 ASN A 69 5.850 5.359 -11.742 1.00 0.00 N ATOM 0 H ASN A 69 8.462 4.252 -9.823 1.00 0.00 H new ATOM 0 HA ASN A 69 10.151 5.863 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.200 7.399 -11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.043 5.855 -12.772 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.942 5.165 -11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.073 4.989 -12.666 1.00 0.00 H new ATOM 1018 N ASP A 70 8.796 7.731 -9.584 1.00 0.00 N ATOM 1019 CA ASP A 70 8.967 8.591 -8.418 1.00 0.00 C ATOM 1020 C ASP A 70 7.659 9.311 -8.094 1.00 0.00 C ATOM 1021 O ASP A 70 7.632 10.527 -7.900 1.00 0.00 O ATOM 1022 CB ASP A 70 10.087 9.606 -8.671 1.00 0.00 C ATOM 1023 CG ASP A 70 10.577 10.273 -7.398 1.00 0.00 C ATOM 1024 OD1 ASP A 70 9.768 10.941 -6.721 1.00 0.00 O ATOM 1025 OD2 ASP A 70 11.775 10.126 -7.077 1.00 0.00 O ATOM 0 H ASP A 70 8.092 8.052 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 70 9.242 7.973 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.923 9.103 -9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.729 10.370 -9.361 1.00 0.00 H new ATOM 1030 N LYS A 71 6.572 8.548 -8.047 1.00 0.00 N ATOM 1031 CA LYS A 71 5.256 9.103 -7.753 1.00 0.00 C ATOM 1032 C LYS A 71 5.041 9.252 -6.250 1.00 0.00 C ATOM 1033 O LYS A 71 4.504 10.259 -5.789 1.00 0.00 O ATOM 1034 CB LYS A 71 4.160 8.220 -8.351 1.00 0.00 C ATOM 1035 CG LYS A 71 4.177 6.789 -7.836 1.00 0.00 C ATOM 1036 CD LYS A 71 3.029 5.963 -8.405 1.00 0.00 C ATOM 1037 CE LYS A 71 1.684 6.377 -7.822 1.00 0.00 C ATOM 1038 NZ LYS A 71 1.293 7.757 -8.223 1.00 0.00 N ATOM 0 H LYS A 71 6.577 7.541 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 71 5.204 10.094 -8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.189 8.664 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.268 8.207 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.126 6.321 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.115 6.795 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.004 6.075 -9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.204 4.907 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.917 5.675 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.728 6.316 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.294 7.765 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.425 8.403 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.886 8.069 -9.018 1.00 0.00 H new ATOM 1052 N GLY A 72 5.453 8.239 -5.491 1.00 0.00 N ATOM 1053 CA GLY A 72 5.284 8.279 -4.051 1.00 0.00 C ATOM 1054 C GLY A 72 3.824 8.308 -3.646 1.00 0.00 C ATOM 1055 O GLY A 72 3.318 9.334 -3.196 1.00 0.00 O ATOM 0 H GLY A 72 5.899 7.394 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.765 7.408 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.787 9.160 -3.652 1.00 0.00 H new ATOM 1059 N ASP A 73 3.144 7.180 -3.812 1.00 0.00 N ATOM 1060 CA ASP A 73 1.733 7.083 -3.462 1.00 0.00 C ATOM 1061 C ASP A 73 1.317 5.625 -3.311 1.00 0.00 C ATOM 1062 O ASP A 73 1.556 4.804 -4.199 1.00 0.00 O ATOM 1063 CB ASP A 73 0.876 7.773 -4.527 1.00 0.00 C ATOM 1064 CG ASP A 73 -0.590 7.836 -4.141 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -1.195 6.766 -3.928 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -1.131 8.957 -4.052 1.00 0.00 O ATOM 0 H ASP A 73 3.547 6.321 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 73 1.578 7.585 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.249 8.784 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.977 7.239 -5.472 1.00 0.00 H new ATOM 1071 N ILE A 74 0.701 5.308 -2.178 1.00 0.00 N ATOM 1072 CA ILE A 74 0.256 3.949 -1.900 1.00 0.00 C ATOM 1073 C ILE A 74 -1.125 3.693 -2.495 1.00 0.00 C ATOM 1074 O ILE A 74 -2.147 3.968 -1.867 1.00 0.00 O ATOM 1075 CB ILE A 74 0.228 3.686 -0.382 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.609 3.977 0.214 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.199 2.253 -0.091 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.652 3.915 1.724 1.00 0.00 C ATOM 0 H ILE A 74 0.498 5.977 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 74 0.967 3.266 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.503 4.349 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.326 3.262 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.931 4.967 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.212 2.089 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.196 2.081 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.505 1.562 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.663 4.132 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.962 4.650 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.362 2.918 2.056 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.140 3.172 -3.719 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.387 2.882 -4.419 1.00 0.00 C ATOM 1092 C ILE A 75 -2.953 1.521 -4.025 1.00 0.00 C ATOM 1093 O ILE A 75 -2.218 0.543 -3.894 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.184 2.911 -5.949 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.681 4.287 -6.399 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.479 2.552 -6.666 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.666 5.410 -6.150 1.00 0.00 C ATOM 0 H ILE A 75 -0.299 2.941 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.095 3.658 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.430 2.169 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.750 4.511 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.450 4.249 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.317 2.577 -7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.794 1.551 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.254 3.270 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.239 6.352 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.590 5.211 -6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.879 5.477 -5.083 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.272 1.467 -3.860 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.958 0.228 -3.505 1.00 0.00 C ATOM 1111 C VAL A 76 -6.282 0.136 -4.255 1.00 0.00 C ATOM 1112 O VAL A 76 -7.187 0.940 -4.032 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.229 0.137 -1.990 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.865 -1.201 -1.644 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.947 0.347 -1.197 1.00 0.00 C ATOM 0 H VAL A 76 -4.890 2.271 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.306 -0.599 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.926 0.930 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.050 -1.249 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.809 -1.305 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.193 -2.009 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.163 0.278 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.221 -0.419 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.538 1.332 -1.421 1.00 0.00 H new ATOM 1125 N THR A 77 -6.391 -0.841 -5.151 1.00 0.00 N ATOM 1126 CA THR A 77 -7.604 -1.016 -5.936 1.00 0.00 C ATOM 1127 C THR A 77 -8.675 -1.763 -5.151 1.00 0.00 C ATOM 1128 O THR A 77 -8.373 -2.666 -4.371 1.00 0.00 O ATOM 1129 CB THR A 77 -7.329 -1.767 -7.252 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.254 -1.138 -7.960 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.573 -1.781 -8.128 1.00 0.00 C ATOM 0 H THR A 77 -5.656 -1.520 -5.349 1.00 0.00 H new ATOM 0 HA THR A 77 -7.965 -0.014 -6.170 1.00 0.00 H new ATOM 0 HB THR A 77 -7.054 -2.794 -7.011 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.084 -1.623 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.360 -2.316 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.385 -2.280 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.866 -0.757 -8.360 1.00 0.00 H new ATOM 1139 N THR A 78 -9.927 -1.378 -5.370 1.00 0.00 N ATOM 1140 CA THR A 78 -11.052 -2.008 -4.695 1.00 0.00 C ATOM 1141 C THR A 78 -12.195 -2.256 -5.671 1.00 0.00 C ATOM 1142 O THR A 78 -12.539 -1.389 -6.474 1.00 0.00 O ATOM 1143 CB THR A 78 -11.563 -1.146 -3.526 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.941 0.153 -4.000 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.498 -1.007 -2.451 1.00 0.00 C ATOM 0 H THR A 78 -10.188 -0.630 -6.012 1.00 0.00 H new ATOM 0 HA THR A 78 -10.697 -2.960 -4.299 1.00 0.00 H new ATOM 0 HB THR A 78 -12.433 -1.641 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.266 0.693 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.882 -0.394 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.234 -1.994 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.613 -0.533 -2.875 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.772 -3.450 -5.599 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.873 -3.828 -6.477 1.00 0.00 C ATOM 1155 C LYS A 79 -14.989 -2.790 -6.426 1.00 0.00 C ATOM 1156 O LYS A 79 -15.487 -2.349 -7.462 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.399 -5.205 -6.078 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.328 -6.284 -6.127 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.817 -7.600 -5.547 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.950 -8.192 -6.371 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.514 -8.529 -7.754 1.00 0.00 N ATOM 0 H LYS A 79 -12.494 -4.176 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.506 -3.872 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.810 -5.153 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.218 -5.482 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.015 -6.437 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.450 -5.949 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.990 -8.308 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.156 -7.443 -4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.325 -9.090 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.777 -7.483 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.235 -9.124 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.390 -7.654 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.612 -9.045 -7.718 1.00 0.00 H new ATOM 1175 N SER A 80 -15.366 -2.391 -5.216 1.00 0.00 N ATOM 1176 CA SER A 80 -16.409 -1.389 -5.037 1.00 0.00 C ATOM 1177 C SER A 80 -15.921 -0.031 -5.528 1.00 0.00 C ATOM 1178 O SER A 80 -16.607 0.654 -6.285 1.00 0.00 O ATOM 1179 CB SER A 80 -16.814 -1.297 -3.565 1.00 0.00 C ATOM 1180 OG SER A 80 -17.315 -2.537 -3.092 1.00 0.00 O ATOM 0 H SER A 80 -14.966 -2.745 -4.347 1.00 0.00 H new ATOM 0 HA SER A 80 -17.280 -1.687 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.954 -0.997 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.573 -0.524 -3.442 1.00 0.00 H new ATOM 0 HG SER A 80 -17.565 -2.450 -2.148 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.723 0.343 -5.091 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.139 1.610 -5.490 1.00 0.00 C ATOM 1188 C GLY A 81 -13.573 1.572 -6.896 1.00 0.00 C ATOM 1189 O GLY A 81 -14.289 1.287 -7.855 1.00 0.00 O ATOM 0 H GLY A 81 -14.143 -0.213 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.897 2.391 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.347 1.878 -4.790 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.280 1.865 -7.015 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.629 1.864 -8.314 1.00 0.00 C ATOM 1195 C GLY A 82 -10.136 2.119 -8.213 1.00 0.00 C ATOM 1196 O GLY A 82 -9.352 1.583 -8.999 1.00 0.00 O ATOM 0 H GLY A 82 -11.671 2.104 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.799 0.904 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.083 2.627 -8.946 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.747 2.941 -7.244 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.342 3.279 -7.033 1.00 0.00 C ATOM 1202 C LYS A 83 -8.160 4.009 -5.705 1.00 0.00 C ATOM 1203 O LYS A 83 -8.810 5.022 -5.449 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.830 4.148 -8.184 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.379 4.576 -8.036 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.927 5.414 -9.222 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.483 5.864 -9.071 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.026 6.662 -10.243 1.00 0.00 N ATOM 0 H LYS A 83 -10.388 3.388 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.765 2.355 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.943 3.599 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.455 5.038 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.258 5.148 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.744 3.694 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.034 4.835 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.573 6.287 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.381 6.460 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.841 4.991 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.037 6.950 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.099 6.085 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.623 7.508 -10.341 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.278 3.481 -4.861 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.031 4.086 -3.565 1.00 0.00 C ATOM 1224 C GLY A 84 -6.100 5.280 -3.633 1.00 0.00 C ATOM 1225 O GLY A 84 -5.025 5.206 -4.229 1.00 0.00 O ATOM 0 H GLY A 84 -6.729 2.643 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.980 4.398 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.604 3.338 -2.897 1.00 0.00 H new ATOM 1229 N THR A 85 -6.511 6.379 -3.011 1.00 0.00 N ATOM 1230 CA THR A 85 -5.711 7.598 -2.985 1.00 0.00 C ATOM 1231 C THR A 85 -4.984 7.740 -1.650 1.00 0.00 C ATOM 1232 O THR A 85 -5.496 7.324 -0.611 1.00 0.00 O ATOM 1233 CB THR A 85 -6.578 8.848 -3.223 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.580 8.953 -2.205 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.243 8.794 -4.590 1.00 0.00 C ATOM 0 H THR A 85 -7.399 6.451 -2.515 1.00 0.00 H new ATOM 0 HA THR A 85 -4.981 7.519 -3.791 1.00 0.00 H new ATOM 0 HB THR A 85 -5.929 9.723 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.125 9.752 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.850 9.688 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.478 8.745 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.878 7.910 -4.651 1.00 0.00 H new ATOM 1243 N SER A 86 -3.791 8.329 -1.681 1.00 0.00 N ATOM 1244 CA SER A 86 -3.007 8.519 -0.465 1.00 0.00 C ATOM 1245 C SER A 86 -2.130 9.763 -0.558 1.00 0.00 C ATOM 1246 O SER A 86 -1.361 9.928 -1.504 1.00 0.00 O ATOM 1247 CB SER A 86 -2.135 7.292 -0.194 1.00 0.00 C ATOM 1248 OG SER A 86 -1.320 6.988 -1.312 1.00 0.00 O ATOM 0 H SER A 86 -3.349 8.681 -2.530 1.00 0.00 H new ATOM 0 HA SER A 86 -3.707 8.653 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.508 7.474 0.679 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.768 6.437 0.041 1.00 0.00 H new ATOM 0 HG SER A 86 -1.886 6.838 -2.098 1.00 0.00 H new ATOM 1254 N THR A 87 -2.252 10.630 0.442 1.00 0.00 N ATOM 1255 CA THR A 87 -1.476 11.861 0.496 1.00 0.00 C ATOM 1256 C THR A 87 -0.055 11.591 0.979 1.00 0.00 C ATOM 1257 O THR A 87 0.883 12.295 0.604 1.00 0.00 O ATOM 1258 CB THR A 87 -2.134 12.897 1.424 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.237 12.371 2.752 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.516 13.277 0.916 1.00 0.00 C ATOM 0 H THR A 87 -2.886 10.500 1.230 1.00 0.00 H new ATOM 0 HA THR A 87 -1.443 12.262 -0.517 1.00 0.00 H new ATOM 0 HB THR A 87 -1.509 13.790 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.655 13.037 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.962 14.010 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.432 13.704 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.147 12.389 0.879 1.00 0.00 H new ATOM 1268 N VAL A 88 0.093 10.570 1.819 1.00 0.00 N ATOM 1269 CA VAL A 88 1.396 10.208 2.364 1.00 0.00 C ATOM 1270 C VAL A 88 2.171 9.320 1.397 1.00 0.00 C ATOM 1271 O VAL A 88 1.595 8.459 0.730 1.00 0.00 O ATOM 1272 CB VAL A 88 1.259 9.489 3.719 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.639 10.417 4.753 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.433 8.219 3.572 1.00 0.00 C ATOM 0 H VAL A 88 -0.675 9.979 2.137 1.00 0.00 H new ATOM 0 HA VAL A 88 1.946 11.137 2.513 1.00 0.00 H new ATOM 0 HB VAL A 88 2.255 9.209 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.549 9.893 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.272 11.295 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.350 10.729 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.348 7.726 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.562 8.472 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.920 7.548 2.865 1.00 0.00 H new ATOM 1284 N SER A 89 3.479 9.545 1.314 1.00 0.00 N ATOM 1285 CA SER A 89 4.333 8.775 0.417 1.00 0.00 C ATOM 1286 C SER A 89 5.441 8.070 1.186 1.00 0.00 C ATOM 1287 O SER A 89 5.998 8.622 2.135 1.00 0.00 O ATOM 1288 CB SER A 89 4.963 9.693 -0.629 1.00 0.00 C ATOM 1289 OG SER A 89 4.013 10.613 -1.140 1.00 0.00 O ATOM 0 H SER A 89 3.970 10.255 1.857 1.00 0.00 H new ATOM 0 HA SER A 89 3.709 8.027 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.797 10.236 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.370 9.095 -1.444 1.00 0.00 H new ATOM 0 HG SER A 89 3.496 10.186 -1.854 1.00 0.00 H new ATOM 1295 N PHE A 90 5.774 6.858 0.757 1.00 0.00 N ATOM 1296 CA PHE A 90 6.836 6.098 1.399 1.00 0.00 C ATOM 1297 C PHE A 90 8.136 6.248 0.620 1.00 0.00 C ATOM 1298 O PHE A 90 8.291 5.679 -0.462 1.00 0.00 O ATOM 1299 CB PHE A 90 6.468 4.617 1.503 1.00 0.00 C ATOM 1300 CG PHE A 90 7.551 3.781 2.127 1.00 0.00 C ATOM 1301 CD1 PHE A 90 7.921 3.976 3.449 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.201 2.805 1.391 1.00 0.00 C ATOM 1303 CE1 PHE A 90 8.918 3.211 4.024 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.199 2.038 1.961 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.559 2.241 3.279 1.00 0.00 C ATOM 0 H PHE A 90 5.326 6.384 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 90 6.969 6.494 2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.556 4.516 2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.249 4.233 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.424 4.734 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.925 2.641 0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.196 3.372 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.698 1.280 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.340 1.643 3.726 1.00 0.00 H new ATOM 1315 N LYS A 91 9.070 7.008 1.174 1.00 0.00 N ATOM 1316 CA LYS A 91 10.356 7.218 0.525 1.00 0.00 C ATOM 1317 C LYS A 91 11.181 5.935 0.562 1.00 0.00 C ATOM 1318 O LYS A 91 11.516 5.431 1.633 1.00 0.00 O ATOM 1319 CB LYS A 91 11.102 8.365 1.206 1.00 0.00 C ATOM 1320 CG LYS A 91 12.481 8.628 0.626 1.00 0.00 C ATOM 1321 CD LYS A 91 13.212 9.711 1.403 1.00 0.00 C ATOM 1322 CE LYS A 91 14.607 9.949 0.848 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.436 8.713 0.883 1.00 0.00 N ATOM 0 H LYS A 91 8.962 7.488 2.068 1.00 0.00 H new ATOM 0 HA LYS A 91 10.190 7.485 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.505 9.273 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.201 8.142 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.066 7.708 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.387 8.927 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.640 10.638 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.281 9.424 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.533 10.308 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.099 10.732 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.395 8.929 0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.486 8.356 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.007 7.990 0.271 1.00 0.00 H new ATOM 1337 N LEU A 92 11.486 5.401 -0.616 1.00 0.00 N ATOM 1338 CA LEU A 92 12.251 4.163 -0.722 1.00 0.00 C ATOM 1339 C LEU A 92 13.748 4.408 -0.559 1.00 0.00 C ATOM 1340 O LEU A 92 14.315 5.303 -1.186 1.00 0.00 O ATOM 1341 CB LEU A 92 11.978 3.493 -2.071 1.00 0.00 C ATOM 1342 CG LEU A 92 12.629 2.121 -2.260 1.00 0.00 C ATOM 1343 CD1 LEU A 92 12.058 1.118 -1.269 1.00 0.00 C ATOM 1344 CD2 LEU A 92 12.436 1.634 -3.687 1.00 0.00 C ATOM 0 H LEU A 92 11.215 5.806 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 92 11.930 3.505 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.900 3.386 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.325 4.155 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 92 13.698 2.217 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.533 0.148 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.248 1.462 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.983 1.024 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.905 0.657 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.371 1.554 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.894 2.342 -4.378 1.00 0.00 H new ATOM 1356 N LEU A 93 14.384 3.592 0.278 1.00 0.00 N ATOM 1357 CA LEU A 93 15.819 3.701 0.516 1.00 0.00 C ATOM 1358 C LEU A 93 16.568 2.610 -0.244 1.00 0.00 C ATOM 1359 O LEU A 93 16.199 1.438 -0.187 1.00 0.00 O ATOM 1360 CB LEU A 93 16.125 3.599 2.011 1.00 0.00 C ATOM 1361 CG LEU A 93 15.455 4.659 2.888 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.834 4.459 4.348 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.834 6.057 2.420 1.00 0.00 C ATOM 0 H LEU A 93 13.926 2.847 0.803 1.00 0.00 H new ATOM 0 HA LEU A 93 16.152 4.675 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.818 2.614 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.204 3.665 2.150 1.00 0.00 H new ATOM 0 HG LEU A 93 14.374 4.550 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.349 5.221 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.510 3.471 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.915 4.541 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.348 6.798 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.915 6.180 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.510 6.196 1.388 1.00 0.00 H new ATOM 1375 N LYS A 94 17.618 3.003 -0.954 1.00 0.00 N ATOM 1376 CA LYS A 94 18.417 2.058 -1.726 1.00 0.00 C ATOM 1377 C LYS A 94 19.276 1.195 -0.804 1.00 0.00 C ATOM 1378 O LYS A 94 19.949 1.708 0.087 1.00 0.00 O ATOM 1379 CB LYS A 94 19.305 2.804 -2.723 1.00 0.00 C ATOM 1380 CG LYS A 94 18.526 3.679 -3.692 1.00 0.00 C ATOM 1381 CD LYS A 94 19.446 4.368 -4.685 1.00 0.00 C ATOM 1382 CE LYS A 94 18.665 5.249 -5.647 1.00 0.00 C ATOM 1383 NZ LYS A 94 17.924 6.328 -4.936 1.00 0.00 N ATOM 0 H LYS A 94 17.937 3.970 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 94 17.737 1.406 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.013 3.425 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.890 2.079 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.799 3.070 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 94 17.964 4.429 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.177 4.972 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.004 3.619 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.350 5.694 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.961 4.636 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.603 7.040 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.100 5.921 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.551 6.778 -4.239 1.00 0.00 H new ATOM 1397 N PRO A 95 19.260 -0.136 -1.008 1.00 0.00 N ATOM 1398 CA PRO A 95 20.039 -1.071 -0.187 1.00 0.00 C ATOM 1399 C PRO A 95 21.532 -0.764 -0.201 1.00 0.00 C ATOM 1400 O PRO A 95 22.126 -0.579 -1.264 1.00 0.00 O ATOM 1401 CB PRO A 95 19.778 -2.429 -0.844 1.00 0.00 C ATOM 1402 CG PRO A 95 18.490 -2.260 -1.571 1.00 0.00 C ATOM 1403 CD PRO A 95 18.479 -0.835 -2.046 1.00 0.00 C ATOM 0 HA PRO A 95 19.746 -1.020 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.584 -2.700 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.711 -3.222 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.419 -2.953 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.641 -2.462 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.935 -0.734 -3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.465 -0.442 -2.122 1.00 0.00 H new ATOM 1411 N GLU A 96 22.136 -0.722 0.983 1.00 0.00 N ATOM 1412 CA GLU A 96 23.563 -0.451 1.096 1.00 0.00 C ATOM 1413 C GLU A 96 24.375 -1.658 0.634 1.00 0.00 C ATOM 1414 O GLU A 96 24.316 -2.726 1.243 1.00 0.00 O ATOM 1415 CB GLU A 96 23.935 -0.094 2.539 1.00 0.00 C ATOM 1416 CG GLU A 96 23.384 1.245 3.009 1.00 0.00 C ATOM 1417 CD GLU A 96 21.869 1.302 2.990 1.00 0.00 C ATOM 1418 OE1 GLU A 96 21.234 0.464 3.666 1.00 0.00 O ATOM 1419 OE2 GLU A 96 21.317 2.187 2.305 1.00 0.00 O ATOM 0 H GLU A 96 21.661 -0.872 1.873 1.00 0.00 H new ATOM 0 HA GLU A 96 23.797 0.399 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 96 23.569 -0.878 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 96 25.021 -0.080 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 96 23.737 1.442 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 96 23.780 2.038 2.374 1.00 0.00 H new ATOM 1426 N LYS A 97 25.128 -1.478 -0.445 1.00 0.00 N ATOM 1427 CA LYS A 97 25.952 -2.550 -0.994 1.00 0.00 C ATOM 1428 C LYS A 97 27.025 -2.979 0.003 1.00 0.00 C ATOM 1429 O LYS A 97 27.790 -2.104 0.461 1.00 0.00 O ATOM 1430 CB LYS A 97 26.606 -2.101 -2.304 1.00 0.00 C ATOM 1431 CG LYS A 97 27.457 -3.175 -2.965 1.00 0.00 C ATOM 1432 CD LYS A 97 26.626 -4.391 -3.342 1.00 0.00 C ATOM 1433 CE LYS A 97 27.476 -5.470 -3.995 1.00 0.00 C ATOM 1434 NZ LYS A 97 26.666 -6.661 -4.371 1.00 0.00 N ATOM 1435 OXT LYS A 97 27.093 -4.186 0.315 1.00 0.00 O ATOM 0 H LYS A 97 25.185 -0.598 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 97 25.305 -3.404 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.827 -1.788 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.228 -1.227 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 97 27.932 -2.767 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 97 28.257 -3.475 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.146 -4.795 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.830 -4.091 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 97 27.959 -5.064 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 97 28.269 -5.771 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.281 -7.374 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 26.225 -7.064 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 25.925 -6.378 -5.044 1.00 0.00 H new TER 1449 LYS A 97