USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 26 MET CE :methyl -172:sc= -1.01 (180deg=-1.04) USER MOD Set 1.2: A 86 HIS : no HD1:sc= -0.0115 X(o=-1,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -0.74 (180deg=-3.88!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0365) USER MOD Single : A 32 THR OG1 : rot -50:sc= 0.743 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= -0.0341 (180deg=-0.168) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.000893 X(o=-0.00089,f=0) USER MOD Single : A 45 SER OG : rot -170:sc= -1.01 USER MOD Single : A 46 SER OG : rot 180:sc= -0.682 USER MOD Single : A 48 GLN : amide:sc= -0.888 K(o=-0.89,f=-4.3!) USER MOD Single : A 49 GLN : amide:sc=-0.00964 X(o=-0.0096,f=-0.021) USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= -0.244 (180deg=-1.73!) USER MOD Single : A 55 SER OG : rot 50:sc= 0.364 USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 1.03 (180deg=0.448) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 63:sc= 0.32 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.28) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 1.89 (180deg=1.86) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0.0062) USER MOD Single : A 83 HIS : no HE2:sc= -0.873 K(o=-0.87,f=-4.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -10.897 14.973 3.298 1.00 0.00 N ATOM 38 CA ILE A 25 -9.870 14.046 3.789 1.00 0.00 C ATOM 39 C ILE A 25 -9.115 13.467 2.570 1.00 0.00 C ATOM 40 O ILE A 25 -9.667 13.415 1.460 1.00 0.00 O ATOM 41 CB ILE A 25 -10.526 12.926 4.680 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.462 12.247 5.593 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.281 11.877 3.831 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.025 11.305 6.630 1.00 0.00 C ATOM 0 HA ILE A 25 -9.153 14.565 4.425 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.264 13.412 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.763 11.696 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.890 13.024 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.717 11.124 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.073 12.368 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.586 11.398 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.210 10.881 7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.701 11.851 7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.571 10.502 6.134 1.00 0.00 H new ATOM 56 N MET A 26 -7.866 13.027 2.766 1.00 0.00 N ATOM 57 CA MET A 26 -6.998 12.623 1.647 1.00 0.00 C ATOM 58 C MET A 26 -7.363 11.197 1.196 1.00 0.00 C ATOM 59 O MET A 26 -7.070 10.211 1.885 1.00 0.00 O ATOM 60 CB MET A 26 -5.504 12.718 2.062 1.00 0.00 C ATOM 61 CG MET A 26 -4.519 12.290 0.974 1.00 0.00 C ATOM 62 SD MET A 26 -2.795 12.412 1.486 1.00 0.00 S ATOM 63 CE MET A 26 -2.584 14.182 1.638 1.00 0.00 C ATOM 0 H MET A 26 -7.432 12.941 3.685 1.00 0.00 H new ATOM 0 HA MET A 26 -7.153 13.299 0.806 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.284 13.746 2.350 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.344 12.098 2.944 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.733 11.261 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.673 12.909 0.090 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.532 14.410 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.916 14.668 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.175 14.548 2.477 1.00 0.00 H new ATOM 73 N LYS A 27 -8.056 11.125 0.048 1.00 0.00 N ATOM 74 CA LYS A 27 -8.510 9.867 -0.554 1.00 0.00 C ATOM 75 C LYS A 27 -7.362 9.262 -1.386 1.00 0.00 C ATOM 76 O LYS A 27 -7.167 9.617 -2.561 1.00 0.00 O ATOM 77 CB LYS A 27 -9.773 10.124 -1.432 1.00 0.00 C ATOM 78 CG LYS A 27 -10.884 10.959 -0.744 1.00 0.00 C ATOM 79 CD LYS A 27 -11.499 10.292 0.498 1.00 0.00 C ATOM 80 CE LYS A 27 -12.266 9.002 0.154 1.00 0.00 C ATOM 81 NZ LYS A 27 -12.930 8.400 1.338 1.00 0.00 N ATOM 0 H LYS A 27 -8.318 11.950 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.785 9.157 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.466 10.635 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.192 9.163 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.470 11.925 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.676 11.154 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.708 10.062 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.175 10.994 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.016 9.221 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.576 8.278 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.513 7.467 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.796 9.019 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.947 8.292 1.148 1.00 0.00 H new ATOM 95 N VAL A 28 -6.576 8.393 -0.737 1.00 0.00 N ATOM 96 CA VAL A 28 -5.413 7.740 -1.350 1.00 0.00 C ATOM 97 C VAL A 28 -5.832 6.377 -1.918 1.00 0.00 C ATOM 98 O VAL A 28 -6.107 5.444 -1.156 1.00 0.00 O ATOM 99 CB VAL A 28 -4.264 7.523 -0.297 1.00 0.00 C ATOM 100 CG1 VAL A 28 -2.988 6.982 -0.965 1.00 0.00 C ATOM 101 CG2 VAL A 28 -3.971 8.807 0.501 1.00 0.00 C ATOM 0 H VAL A 28 -6.731 8.122 0.234 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.041 8.385 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.614 6.772 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.213 6.843 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.205 6.027 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.641 7.693 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.172 8.616 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.664 9.598 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.870 9.117 1.034 1.00 0.00 H new ATOM 111 N THR A 29 -5.876 6.263 -3.247 1.00 0.00 N ATOM 112 CA THR A 29 -6.198 5.004 -3.924 1.00 0.00 C ATOM 113 C THR A 29 -4.912 4.190 -4.121 1.00 0.00 C ATOM 114 O THR A 29 -3.994 4.638 -4.783 1.00 0.00 O ATOM 115 CB THR A 29 -6.889 5.268 -5.302 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.049 6.095 -5.093 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.316 3.955 -6.002 1.00 0.00 C ATOM 0 H THR A 29 -5.690 7.038 -3.883 1.00 0.00 H new ATOM 0 HA THR A 29 -6.895 4.441 -3.304 1.00 0.00 H new ATOM 0 HB THR A 29 -6.168 5.767 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.487 6.267 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.791 4.189 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.438 3.334 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.020 3.417 -5.368 1.00 0.00 H new ATOM 125 N VAL A 30 -4.843 3.014 -3.497 1.00 0.00 N ATOM 126 CA VAL A 30 -3.720 2.084 -3.663 1.00 0.00 C ATOM 127 C VAL A 30 -4.121 1.026 -4.688 1.00 0.00 C ATOM 128 O VAL A 30 -5.027 0.218 -4.440 1.00 0.00 O ATOM 129 CB VAL A 30 -3.345 1.409 -2.295 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.236 0.341 -2.454 1.00 0.00 C ATOM 131 CG2 VAL A 30 -2.932 2.485 -1.274 1.00 0.00 C ATOM 0 H VAL A 30 -5.565 2.676 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.842 2.628 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.229 0.889 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.011 -0.097 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.577 -0.440 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.337 0.807 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.674 2.009 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.069 3.033 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.761 3.176 -1.118 1.00 0.00 H new ATOM 141 N LYS A 31 -3.451 1.049 -5.843 1.00 0.00 N ATOM 142 CA LYS A 31 -3.735 0.131 -6.953 1.00 0.00 C ATOM 143 C LYS A 31 -2.662 -0.970 -6.947 1.00 0.00 C ATOM 144 O LYS A 31 -1.467 -0.690 -6.781 1.00 0.00 O ATOM 145 CB LYS A 31 -3.769 0.918 -8.308 1.00 0.00 C ATOM 146 CG LYS A 31 -4.722 0.354 -9.400 1.00 0.00 C ATOM 147 CD LYS A 31 -4.260 -0.995 -10.003 1.00 0.00 C ATOM 148 CE LYS A 31 -2.926 -0.900 -10.762 1.00 0.00 C ATOM 149 NZ LYS A 31 -2.999 0.014 -11.926 1.00 0.00 N ATOM 0 H LYS A 31 -2.695 1.705 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.715 -0.332 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.057 1.948 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.758 0.945 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.716 0.227 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.813 1.087 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.162 -1.728 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.030 -1.364 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.148 -0.554 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.634 -1.893 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.109 -0.034 -12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.789 -0.269 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.150 0.988 -11.594 1.00 0.00 H new ATOM 163 N THR A 32 -3.116 -2.222 -7.083 1.00 0.00 N ATOM 164 CA THR A 32 -2.269 -3.426 -7.069 1.00 0.00 C ATOM 165 C THR A 32 -2.674 -4.341 -8.238 1.00 0.00 C ATOM 166 O THR A 32 -3.697 -4.086 -8.891 1.00 0.00 O ATOM 167 CB THR A 32 -2.457 -4.205 -5.721 1.00 0.00 C ATOM 168 OG1 THR A 32 -3.818 -4.612 -5.584 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.058 -3.377 -4.511 1.00 0.00 C ATOM 0 H THR A 32 -4.106 -2.433 -7.209 1.00 0.00 H new ATOM 0 HA THR A 32 -1.225 -3.128 -7.167 1.00 0.00 H new ATOM 0 HB THR A 32 -1.801 -5.074 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.407 -3.845 -5.745 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.207 -3.963 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.008 -3.096 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.672 -2.477 -4.467 1.00 0.00 H new ATOM 177 N PRO A 33 -1.895 -5.430 -8.530 1.00 0.00 N ATOM 178 CA PRO A 33 -2.348 -6.494 -9.466 1.00 0.00 C ATOM 179 C PRO A 33 -3.582 -7.276 -8.929 1.00 0.00 C ATOM 180 O PRO A 33 -4.179 -8.072 -9.658 1.00 0.00 O ATOM 181 CB PRO A 33 -1.097 -7.398 -9.598 1.00 0.00 C ATOM 182 CG PRO A 33 -0.329 -7.166 -8.331 1.00 0.00 C ATOM 183 CD PRO A 33 -0.502 -5.698 -8.039 1.00 0.00 C ATOM 0 HA PRO A 33 -2.691 -6.096 -10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.375 -8.446 -9.707 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.506 -7.132 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.715 -7.779 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.723 -7.424 -8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.398 -5.481 -6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.236 -5.091 -8.562 1.00 0.00 H new ATOM 191 N LYS A 34 -3.925 -7.049 -7.639 1.00 0.00 N ATOM 192 CA LYS A 34 -5.125 -7.611 -6.996 1.00 0.00 C ATOM 193 C LYS A 34 -6.352 -6.772 -7.380 1.00 0.00 C ATOM 194 O LYS A 34 -7.250 -7.242 -8.085 1.00 0.00 O ATOM 195 CB LYS A 34 -4.993 -7.642 -5.435 1.00 0.00 C ATOM 196 CG LYS A 34 -3.917 -8.583 -4.855 1.00 0.00 C ATOM 197 CD LYS A 34 -2.461 -8.134 -5.114 1.00 0.00 C ATOM 198 CE LYS A 34 -1.432 -9.101 -4.499 1.00 0.00 C ATOM 199 NZ LYS A 34 -1.643 -10.507 -4.931 1.00 0.00 N ATOM 0 H LYS A 34 -3.369 -6.465 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.238 -8.637 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.783 -6.630 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.958 -7.928 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.071 -8.669 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.057 -9.578 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.291 -8.062 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.312 -7.137 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.428 -8.785 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.491 -9.046 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.842 -11.091 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.522 -10.871 -4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.713 -10.545 -5.968 1.00 0.00 H new ATOM 213 N GLU A 35 -6.345 -5.512 -6.917 1.00 0.00 N ATOM 214 CA GLU A 35 -7.471 -4.575 -7.049 1.00 0.00 C ATOM 215 C GLU A 35 -7.032 -3.147 -6.665 1.00 0.00 C ATOM 216 O GLU A 35 -5.876 -2.910 -6.304 1.00 0.00 O ATOM 217 CB GLU A 35 -8.656 -5.028 -6.146 1.00 0.00 C ATOM 218 CG GLU A 35 -8.302 -5.147 -4.646 1.00 0.00 C ATOM 219 CD GLU A 35 -9.476 -5.630 -3.787 1.00 0.00 C ATOM 220 OE1 GLU A 35 -9.767 -6.842 -3.791 1.00 0.00 O ATOM 221 OE2 GLU A 35 -10.119 -4.808 -3.105 1.00 0.00 O ATOM 0 H GLU A 35 -5.543 -5.109 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.798 -4.572 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.476 -4.318 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.019 -5.993 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.467 -5.837 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.967 -4.177 -4.280 1.00 0.00 H new ATOM 228 N LYS A 36 -7.973 -2.200 -6.758 1.00 0.00 N ATOM 229 CA LYS A 36 -7.799 -0.829 -6.253 1.00 0.00 C ATOM 230 C LYS A 36 -8.590 -0.670 -4.938 1.00 0.00 C ATOM 231 O LYS A 36 -9.773 -1.030 -4.873 1.00 0.00 O ATOM 232 CB LYS A 36 -8.263 0.208 -7.323 1.00 0.00 C ATOM 233 CG LYS A 36 -9.710 0.009 -7.848 1.00 0.00 C ATOM 234 CD LYS A 36 -10.181 1.143 -8.787 1.00 0.00 C ATOM 235 CE LYS A 36 -10.267 2.501 -8.069 1.00 0.00 C ATOM 236 NZ LYS A 36 -10.656 3.592 -8.991 1.00 0.00 N ATOM 0 H LYS A 36 -8.883 -2.363 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.744 -0.642 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.182 1.208 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.577 0.166 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.769 -0.941 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.391 -0.057 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.493 1.223 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.159 0.889 -9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.992 2.437 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.303 2.734 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.702 4.489 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.951 3.671 -9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.588 3.383 -9.403 1.00 0.00 H new ATOM 250 N GLU A 37 -7.931 -0.154 -3.892 1.00 0.00 N ATOM 251 CA GLU A 37 -8.555 0.106 -2.585 1.00 0.00 C ATOM 252 C GLU A 37 -8.227 1.544 -2.161 1.00 0.00 C ATOM 253 O GLU A 37 -7.058 1.890 -1.975 1.00 0.00 O ATOM 254 CB GLU A 37 -8.057 -0.915 -1.519 1.00 0.00 C ATOM 255 CG GLU A 37 -8.737 -0.795 -0.136 1.00 0.00 C ATOM 256 CD GLU A 37 -10.246 -1.104 -0.172 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.056 -0.180 -0.388 1.00 0.00 O ATOM 258 OE2 GLU A 37 -10.629 -2.276 0.012 1.00 0.00 O ATOM 0 H GLU A 37 -6.943 0.097 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.635 -0.012 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.217 -1.924 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.982 -0.790 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.250 -1.476 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.589 0.214 0.248 1.00 0.00 H new ATOM 265 N GLU A 38 -9.266 2.372 -2.022 1.00 0.00 N ATOM 266 CA GLU A 38 -9.129 3.798 -1.726 1.00 0.00 C ATOM 267 C GLU A 38 -9.301 4.023 -0.220 1.00 0.00 C ATOM 268 O GLU A 38 -10.393 3.840 0.328 1.00 0.00 O ATOM 269 CB GLU A 38 -10.174 4.601 -2.529 1.00 0.00 C ATOM 270 CG GLU A 38 -10.162 6.120 -2.274 1.00 0.00 C ATOM 271 CD GLU A 38 -11.290 6.837 -3.020 1.00 0.00 C ATOM 272 OE1 GLU A 38 -12.437 6.808 -2.539 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.048 7.397 -4.105 1.00 0.00 O ATOM 0 H GLU A 38 -10.235 2.067 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.137 4.144 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.008 4.425 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.166 4.216 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.258 6.309 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.202 6.532 -2.586 1.00 0.00 H new ATOM 280 N PHE A 39 -8.202 4.383 0.437 1.00 0.00 N ATOM 281 CA PHE A 39 -8.172 4.715 1.864 1.00 0.00 C ATOM 282 C PHE A 39 -8.426 6.218 2.051 1.00 0.00 C ATOM 283 O PHE A 39 -8.220 7.008 1.128 1.00 0.00 O ATOM 284 CB PHE A 39 -6.797 4.330 2.465 1.00 0.00 C ATOM 285 CG PHE A 39 -6.436 2.854 2.281 1.00 0.00 C ATOM 286 CD1 PHE A 39 -5.808 2.409 1.115 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.737 1.916 3.262 1.00 0.00 C ATOM 288 CE1 PHE A 39 -5.494 1.075 0.945 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.420 0.586 3.091 1.00 0.00 C ATOM 290 CZ PHE A 39 -5.801 0.165 1.932 1.00 0.00 C ATOM 0 H PHE A 39 -7.289 4.454 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 39 -8.952 4.155 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.024 4.944 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.797 4.565 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.565 3.117 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.226 2.234 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.008 0.746 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.657 -0.128 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.557 -0.879 1.799 1.00 0.00 H new ATOM 300 N ALA A 40 -8.895 6.600 3.243 1.00 0.00 N ATOM 301 CA ALA A 40 -9.095 8.004 3.627 1.00 0.00 C ATOM 302 C ALA A 40 -8.256 8.297 4.870 1.00 0.00 C ATOM 303 O ALA A 40 -8.484 7.703 5.932 1.00 0.00 O ATOM 304 CB ALA A 40 -10.578 8.270 3.890 1.00 0.00 C ATOM 0 H ALA A 40 -9.149 5.938 3.976 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.777 8.663 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.716 9.313 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.151 8.061 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.926 7.625 4.697 1.00 0.00 H new ATOM 310 N VAL A 41 -7.280 9.203 4.725 1.00 0.00 N ATOM 311 CA VAL A 41 -6.301 9.530 5.778 1.00 0.00 C ATOM 312 C VAL A 41 -6.219 11.064 5.936 1.00 0.00 C ATOM 313 O VAL A 41 -6.296 11.780 4.939 1.00 0.00 O ATOM 314 CB VAL A 41 -4.867 8.922 5.467 1.00 0.00 C ATOM 315 CG1 VAL A 41 -4.908 7.374 5.433 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.254 9.483 4.155 1.00 0.00 C ATOM 0 H VAL A 41 -7.144 9.736 3.866 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.639 9.080 6.712 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.216 9.233 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.911 6.988 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.242 6.998 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.600 7.045 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.274 9.034 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.908 9.244 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.149 10.565 4.236 1.00 0.00 H new ATOM 326 N PRO A 42 -6.120 11.608 7.189 1.00 0.00 N ATOM 327 CA PRO A 42 -6.140 13.080 7.443 1.00 0.00 C ATOM 328 C PRO A 42 -4.771 13.768 7.188 1.00 0.00 C ATOM 329 O PRO A 42 -4.336 14.598 7.982 1.00 0.00 O ATOM 330 CB PRO A 42 -6.556 13.128 8.933 1.00 0.00 C ATOM 331 CG PRO A 42 -5.917 11.914 9.532 1.00 0.00 C ATOM 332 CD PRO A 42 -6.004 10.838 8.465 1.00 0.00 C ATOM 0 HA PRO A 42 -6.806 13.624 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.206 14.041 9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.640 13.104 9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.881 12.111 9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.434 11.607 10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.120 10.200 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.866 10.190 8.620 1.00 0.00 H new ATOM 340 N GLU A 43 -4.111 13.398 6.064 1.00 0.00 N ATOM 341 CA GLU A 43 -2.769 13.891 5.606 1.00 0.00 C ATOM 342 C GLU A 43 -1.629 13.744 6.648 1.00 0.00 C ATOM 343 O GLU A 43 -0.485 14.134 6.377 1.00 0.00 O ATOM 344 CB GLU A 43 -2.830 15.358 5.045 1.00 0.00 C ATOM 345 CG GLU A 43 -2.782 16.504 6.088 1.00 0.00 C ATOM 346 CD GLU A 43 -2.659 17.898 5.453 1.00 0.00 C ATOM 347 OE1 GLU A 43 -1.520 18.337 5.175 1.00 0.00 O ATOM 348 OE2 GLU A 43 -3.691 18.558 5.214 1.00 0.00 O ATOM 0 H GLU A 43 -4.509 12.718 5.416 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.508 13.218 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.999 15.493 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.747 15.463 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.684 16.469 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.938 16.341 6.758 1.00 0.00 H new ATOM 355 N ASN A 44 -1.923 13.134 7.805 1.00 0.00 N ATOM 356 CA ASN A 44 -0.977 13.000 8.924 1.00 0.00 C ATOM 357 C ASN A 44 -0.533 11.536 9.039 1.00 0.00 C ATOM 358 O ASN A 44 0.598 11.248 9.465 1.00 0.00 O ATOM 359 CB ASN A 44 -1.653 13.481 10.231 1.00 0.00 C ATOM 360 CG ASN A 44 -0.704 13.499 11.436 1.00 0.00 C ATOM 361 OD1 ASN A 44 -0.046 14.504 11.704 1.00 0.00 O ATOM 362 ND2 ASN A 44 -0.617 12.394 12.168 1.00 0.00 N ATOM 0 H ASN A 44 -2.834 12.715 7.993 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.096 13.616 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.052 14.483 10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.499 12.831 10.454 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.007 12.364 12.975 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.174 11.575 11.923 1.00 0.00 H new ATOM 369 N SER A 45 -1.458 10.617 8.671 1.00 0.00 N ATOM 370 CA SER A 45 -1.186 9.179 8.588 1.00 0.00 C ATOM 371 C SER A 45 -0.062 8.914 7.568 1.00 0.00 C ATOM 372 O SER A 45 -0.296 8.894 6.350 1.00 0.00 O ATOM 373 CB SER A 45 -2.469 8.405 8.205 1.00 0.00 C ATOM 374 OG SER A 45 -3.546 8.735 9.069 1.00 0.00 O ATOM 0 H SER A 45 -2.416 10.864 8.424 1.00 0.00 H new ATOM 0 HA SER A 45 -0.859 8.825 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.742 8.636 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.277 7.333 8.252 1.00 0.00 H new ATOM 0 HG SER A 45 -4.294 8.122 8.908 1.00 0.00 H new ATOM 380 N SER A 46 1.156 8.780 8.095 1.00 0.00 N ATOM 381 CA SER A 46 2.362 8.512 7.308 1.00 0.00 C ATOM 382 C SER A 46 2.345 7.071 6.776 1.00 0.00 C ATOM 383 O SER A 46 1.478 6.275 7.166 1.00 0.00 O ATOM 384 CB SER A 46 3.591 8.768 8.202 1.00 0.00 C ATOM 385 OG SER A 46 3.506 10.050 8.815 1.00 0.00 O ATOM 0 H SER A 46 1.336 8.856 9.096 1.00 0.00 H new ATOM 0 HA SER A 46 2.403 9.173 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.657 7.996 8.969 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.501 8.704 7.606 1.00 0.00 H new ATOM 0 HG SER A 46 4.293 10.195 9.380 1.00 0.00 H new ATOM 391 N VAL A 47 3.318 6.735 5.909 1.00 0.00 N ATOM 392 CA VAL A 47 3.392 5.405 5.270 1.00 0.00 C ATOM 393 C VAL A 47 3.501 4.281 6.329 1.00 0.00 C ATOM 394 O VAL A 47 2.931 3.206 6.144 1.00 0.00 O ATOM 395 CB VAL A 47 4.581 5.322 4.250 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.699 3.925 3.590 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.455 6.427 3.178 1.00 0.00 C ATOM 0 H VAL A 47 4.068 7.369 5.633 1.00 0.00 H new ATOM 0 HA VAL A 47 2.465 5.261 4.715 1.00 0.00 H new ATOM 0 HB VAL A 47 5.499 5.482 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.537 3.921 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.864 3.172 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.779 3.698 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.289 6.353 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.517 6.304 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.471 7.405 3.660 1.00 0.00 H new ATOM 407 N GLN A 48 4.182 4.580 7.463 1.00 0.00 N ATOM 408 CA GLN A 48 4.336 3.636 8.601 1.00 0.00 C ATOM 409 C GLN A 48 2.985 3.189 9.219 1.00 0.00 C ATOM 410 O GLN A 48 2.881 2.079 9.741 1.00 0.00 O ATOM 411 CB GLN A 48 5.309 4.201 9.689 1.00 0.00 C ATOM 412 CG GLN A 48 5.148 5.687 10.099 1.00 0.00 C ATOM 413 CD GLN A 48 3.923 6.002 10.963 1.00 0.00 C ATOM 414 OE1 GLN A 48 2.877 6.406 10.460 1.00 0.00 O ATOM 415 NE2 GLN A 48 4.042 5.795 12.267 1.00 0.00 N ATOM 0 H GLN A 48 4.639 5.479 7.615 1.00 0.00 H new ATOM 0 HA GLN A 48 4.785 2.735 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.199 3.592 10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.329 4.060 9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.042 5.996 10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.098 6.293 9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.925 5.459 12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.251 5.972 12.886 1.00 0.00 H new ATOM 424 N GLN A 49 1.967 4.055 9.149 1.00 0.00 N ATOM 425 CA GLN A 49 0.603 3.759 9.649 1.00 0.00 C ATOM 426 C GLN A 49 -0.304 3.280 8.495 1.00 0.00 C ATOM 427 O GLN A 49 -1.330 2.617 8.709 1.00 0.00 O ATOM 428 CB GLN A 49 0.005 5.036 10.310 1.00 0.00 C ATOM 429 CG GLN A 49 -1.343 4.831 11.018 1.00 0.00 C ATOM 430 CD GLN A 49 -1.240 3.929 12.249 1.00 0.00 C ATOM 431 OE1 GLN A 49 -1.349 2.710 12.154 1.00 0.00 O ATOM 432 NE2 GLN A 49 -1.032 4.522 13.415 1.00 0.00 N ATOM 0 H GLN A 49 2.058 4.987 8.744 1.00 0.00 H new ATOM 0 HA GLN A 49 0.661 2.962 10.391 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.723 5.422 11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.117 5.800 9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.741 5.801 11.317 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.054 4.397 10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.946 5.537 13.463 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.958 3.963 14.265 1.00 0.00 H new ATOM 441 N PHE A 50 0.111 3.601 7.268 1.00 0.00 N ATOM 442 CA PHE A 50 -0.718 3.438 6.073 1.00 0.00 C ATOM 443 C PHE A 50 -0.698 1.984 5.562 1.00 0.00 C ATOM 444 O PHE A 50 -1.754 1.428 5.244 1.00 0.00 O ATOM 445 CB PHE A 50 -0.240 4.428 4.987 1.00 0.00 C ATOM 446 CG PHE A 50 -1.154 4.500 3.776 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.444 5.018 3.895 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.738 4.047 2.533 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.282 5.073 2.809 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.577 4.107 1.448 1.00 0.00 C ATOM 451 CZ PHE A 50 -2.850 4.617 1.587 1.00 0.00 C ATOM 0 H PHE A 50 1.037 3.983 7.075 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.754 3.661 6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.156 5.422 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.759 4.139 4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.787 5.380 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.257 3.643 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.279 5.474 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.239 3.754 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.510 4.658 0.733 1.00 0.00 H new ATOM 461 N LYS A 51 0.507 1.366 5.501 1.00 0.00 N ATOM 462 CA LYS A 51 0.654 -0.039 5.038 1.00 0.00 C ATOM 463 C LYS A 51 0.049 -1.024 6.067 1.00 0.00 C ATOM 464 O LYS A 51 -0.273 -2.163 5.731 1.00 0.00 O ATOM 465 CB LYS A 51 2.136 -0.396 4.667 1.00 0.00 C ATOM 466 CG LYS A 51 3.090 -0.843 5.810 1.00 0.00 C ATOM 467 CD LYS A 51 3.290 0.210 6.925 1.00 0.00 C ATOM 468 CE LYS A 51 4.486 -0.101 7.840 1.00 0.00 C ATOM 469 NZ LYS A 51 4.348 -1.405 8.520 1.00 0.00 N ATOM 0 H LYS A 51 1.385 1.813 5.764 1.00 0.00 H new ATOM 0 HA LYS A 51 0.086 -0.140 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.111 -1.192 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.578 0.476 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.699 -1.757 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.061 -1.088 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.434 1.190 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.384 0.268 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.403 -0.097 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.584 0.687 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.665 -1.317 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.352 -1.702 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.930 -2.115 8.031 1.00 0.00 H new ATOM 483 N GLU A 52 -0.121 -0.540 7.312 1.00 0.00 N ATOM 484 CA GLU A 52 -0.861 -1.243 8.374 1.00 0.00 C ATOM 485 C GLU A 52 -2.325 -1.462 7.941 1.00 0.00 C ATOM 486 O GLU A 52 -2.864 -2.570 8.045 1.00 0.00 O ATOM 487 CB GLU A 52 -0.817 -0.403 9.676 1.00 0.00 C ATOM 488 CG GLU A 52 0.587 -0.166 10.253 1.00 0.00 C ATOM 489 CD GLU A 52 1.196 -1.421 10.901 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.678 -1.866 11.946 1.00 0.00 O ATOM 491 OE2 GLU A 52 2.188 -1.964 10.380 1.00 0.00 O ATOM 0 H GLU A 52 0.256 0.360 7.611 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.398 -2.213 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.281 0.564 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.424 -0.901 10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.246 0.180 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.538 0.631 10.995 1.00 0.00 H new ATOM 498 N GLU A 53 -2.941 -0.375 7.435 1.00 0.00 N ATOM 499 CA GLU A 53 -4.326 -0.377 6.936 1.00 0.00 C ATOM 500 C GLU A 53 -4.452 -1.207 5.652 1.00 0.00 C ATOM 501 O GLU A 53 -5.478 -1.844 5.422 1.00 0.00 O ATOM 502 CB GLU A 53 -4.811 1.081 6.705 1.00 0.00 C ATOM 503 CG GLU A 53 -4.901 1.928 7.991 1.00 0.00 C ATOM 504 CD GLU A 53 -5.887 1.342 9.027 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.103 1.606 8.926 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.452 0.608 9.938 1.00 0.00 O ATOM 0 H GLU A 53 -2.486 0.535 7.362 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.963 -0.841 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.133 1.571 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.792 1.055 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.911 2.003 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.212 2.940 7.733 1.00 0.00 H new ATOM 513 N ILE A 54 -3.394 -1.186 4.826 1.00 0.00 N ATOM 514 CA ILE A 54 -3.327 -1.980 3.585 1.00 0.00 C ATOM 515 C ILE A 54 -3.358 -3.505 3.889 1.00 0.00 C ATOM 516 O ILE A 54 -4.044 -4.264 3.200 1.00 0.00 O ATOM 517 CB ILE A 54 -2.035 -1.610 2.760 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.065 -0.116 2.287 1.00 0.00 C ATOM 519 CG2 ILE A 54 -1.833 -2.556 1.561 1.00 0.00 C ATOM 520 CD1 ILE A 54 -0.843 0.325 1.485 1.00 0.00 C ATOM 0 H ILE A 54 -2.562 -0.621 4.997 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.205 -1.738 2.986 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.184 -1.736 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.957 0.041 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.159 0.526 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.933 -2.268 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.729 -3.580 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.694 -2.490 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.952 1.372 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.054 0.206 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.757 -0.287 0.587 1.00 0.00 H new ATOM 532 N SER A 55 -2.644 -3.910 4.957 1.00 0.00 N ATOM 533 CA SER A 55 -2.407 -5.331 5.310 1.00 0.00 C ATOM 534 C SER A 55 -3.710 -6.134 5.479 1.00 0.00 C ATOM 535 O SER A 55 -3.827 -7.254 4.978 1.00 0.00 O ATOM 536 CB SER A 55 -1.547 -5.404 6.593 1.00 0.00 C ATOM 537 OG SER A 55 -1.257 -6.740 6.975 1.00 0.00 O ATOM 0 H SER A 55 -2.209 -3.256 5.608 1.00 0.00 H new ATOM 0 HA SER A 55 -1.874 -5.792 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.614 -4.864 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.070 -4.902 7.407 1.00 0.00 H new ATOM 0 HG SER A 55 -0.913 -7.234 6.202 1.00 0.00 H new ATOM 543 N LYS A 56 -4.687 -5.525 6.161 1.00 0.00 N ATOM 544 CA LYS A 56 -5.980 -6.167 6.478 1.00 0.00 C ATOM 545 C LYS A 56 -6.899 -6.224 5.244 1.00 0.00 C ATOM 546 O LYS A 56 -7.770 -7.094 5.152 1.00 0.00 O ATOM 547 CB LYS A 56 -6.649 -5.401 7.653 1.00 0.00 C ATOM 548 CG LYS A 56 -6.980 -3.914 7.347 1.00 0.00 C ATOM 549 CD LYS A 56 -7.206 -3.055 8.614 1.00 0.00 C ATOM 550 CE LYS A 56 -5.941 -2.934 9.481 1.00 0.00 C ATOM 551 NZ LYS A 56 -6.150 -2.084 10.679 1.00 0.00 N ATOM 0 H LYS A 56 -4.609 -4.571 6.512 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.803 -7.199 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.569 -5.916 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.989 -5.442 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.166 -3.482 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.874 -3.870 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.536 -2.059 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.008 -3.494 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.624 -3.928 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.132 -2.517 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.543 -2.420 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.907 -1.098 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.146 -2.136 10.972 1.00 0.00 H new ATOM 565 N ARG A 57 -6.683 -5.298 4.295 1.00 0.00 N ATOM 566 CA ARG A 57 -7.515 -5.187 3.084 1.00 0.00 C ATOM 567 C ARG A 57 -7.084 -6.205 2.018 1.00 0.00 C ATOM 568 O ARG A 57 -7.930 -6.843 1.394 1.00 0.00 O ATOM 569 CB ARG A 57 -7.461 -3.745 2.514 1.00 0.00 C ATOM 570 CG ARG A 57 -7.891 -2.654 3.510 1.00 0.00 C ATOM 571 CD ARG A 57 -9.310 -2.854 4.069 1.00 0.00 C ATOM 572 NE ARG A 57 -10.356 -2.713 3.039 1.00 0.00 N ATOM 573 CZ ARG A 57 -11.676 -2.648 3.290 1.00 0.00 C ATOM 574 NH1 ARG A 57 -12.154 -2.821 4.518 1.00 0.00 N ATOM 575 NH2 ARG A 57 -12.517 -2.431 2.299 1.00 0.00 N ATOM 0 H ARG A 57 -5.932 -4.609 4.344 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.544 -5.411 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.444 -3.536 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.102 -3.690 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.183 -2.631 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.837 -1.683 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.382 -3.844 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.488 -2.129 4.863 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.057 -2.661 2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.516 -3.007 5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.159 -2.768 4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.166 -2.314 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.519 -2.381 2.482 1.00 0.00 H new ATOM 589 N PHE A 58 -5.762 -6.358 1.824 1.00 0.00 N ATOM 590 CA PHE A 58 -5.187 -7.246 0.785 1.00 0.00 C ATOM 591 C PHE A 58 -4.770 -8.616 1.364 1.00 0.00 C ATOM 592 O PHE A 58 -4.293 -9.476 0.611 1.00 0.00 O ATOM 593 CB PHE A 58 -3.987 -6.530 0.101 1.00 0.00 C ATOM 594 CG PHE A 58 -4.393 -5.268 -0.675 1.00 0.00 C ATOM 595 CD1 PHE A 58 -4.538 -4.039 -0.030 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.655 -5.320 -2.040 1.00 0.00 C ATOM 597 CE1 PHE A 58 -4.918 -2.906 -0.724 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.042 -4.190 -2.731 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.172 -2.984 -2.077 1.00 0.00 C ATOM 0 H PHE A 58 -5.058 -5.872 2.380 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.955 -7.448 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.253 -6.260 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.499 -7.226 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.350 -3.972 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.554 -6.258 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.016 -1.962 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.244 -4.251 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.472 -2.102 -2.623 1.00 0.00 H new ATOM 609 N LYS A 59 -4.965 -8.811 2.703 1.00 0.00 N ATOM 610 CA LYS A 59 -4.604 -10.068 3.426 1.00 0.00 C ATOM 611 C LYS A 59 -3.122 -10.430 3.205 1.00 0.00 C ATOM 612 O LYS A 59 -2.761 -11.601 3.058 1.00 0.00 O ATOM 613 CB LYS A 59 -5.560 -11.248 3.039 1.00 0.00 C ATOM 614 CG LYS A 59 -6.989 -11.176 3.673 1.00 0.00 C ATOM 615 CD LYS A 59 -8.130 -11.247 2.633 1.00 0.00 C ATOM 616 CE LYS A 59 -8.159 -10.014 1.730 1.00 0.00 C ATOM 617 NZ LYS A 59 -9.177 -10.123 0.652 1.00 0.00 N ATOM 0 H LYS A 59 -5.376 -8.101 3.309 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.738 -9.889 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.661 -11.273 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.093 -12.187 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.104 -11.995 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.081 -10.248 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.008 -12.141 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.086 -11.341 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.366 -9.130 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.175 -9.871 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.157 -9.263 0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.966 -10.950 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.121 -10.232 1.075 1.00 0.00 H new ATOM 631 N SER A 60 -2.271 -9.399 3.219 1.00 0.00 N ATOM 632 CA SER A 60 -0.833 -9.533 2.965 1.00 0.00 C ATOM 633 C SER A 60 -0.060 -8.730 4.022 1.00 0.00 C ATOM 634 O SER A 60 -0.361 -7.558 4.231 1.00 0.00 O ATOM 635 CB SER A 60 -0.518 -9.021 1.550 1.00 0.00 C ATOM 636 OG SER A 60 -1.245 -9.731 0.557 1.00 0.00 O ATOM 0 H SER A 60 -2.563 -8.440 3.408 1.00 0.00 H new ATOM 0 HA SER A 60 -0.532 -10.579 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.757 -7.960 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.550 -9.119 1.358 1.00 0.00 H new ATOM 0 HG SER A 60 -2.205 -9.586 0.688 1.00 0.00 H new ATOM 642 N HIS A 61 0.932 -9.373 4.675 1.00 0.00 N ATOM 643 CA HIS A 61 1.712 -8.771 5.783 1.00 0.00 C ATOM 644 C HIS A 61 2.475 -7.511 5.342 1.00 0.00 C ATOM 645 O HIS A 61 2.975 -7.441 4.212 1.00 0.00 O ATOM 646 CB HIS A 61 2.693 -9.811 6.393 1.00 0.00 C ATOM 647 CG HIS A 61 2.028 -10.835 7.280 1.00 0.00 C ATOM 648 ND1 HIS A 61 1.908 -10.673 8.646 1.00 0.00 N ATOM 649 CD2 HIS A 61 1.457 -12.032 7.000 1.00 0.00 C ATOM 650 CE1 HIS A 61 1.300 -11.721 9.161 1.00 0.00 C ATOM 651 NE2 HIS A 61 1.015 -12.561 8.187 1.00 0.00 N ATOM 0 H HIS A 61 1.217 -10.326 4.450 1.00 0.00 H new ATOM 0 HA HIS A 61 0.996 -8.467 6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.209 -10.327 5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.453 -9.284 6.970 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.367 -12.485 6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.073 -11.868 10.207 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.543 -13.458 8.297 1.00 0.00 H new ATOM 660 N THR A 62 2.591 -6.556 6.288 1.00 0.00 N ATOM 661 CA THR A 62 3.152 -5.214 6.059 1.00 0.00 C ATOM 662 C THR A 62 4.608 -5.243 5.565 1.00 0.00 C ATOM 663 O THR A 62 5.044 -4.328 4.862 1.00 0.00 O ATOM 664 CB THR A 62 3.062 -4.361 7.359 1.00 0.00 C ATOM 665 OG1 THR A 62 3.681 -5.057 8.450 1.00 0.00 O ATOM 666 CG2 THR A 62 1.614 -4.032 7.729 1.00 0.00 C ATOM 0 H THR A 62 2.290 -6.702 7.252 1.00 0.00 H new ATOM 0 HA THR A 62 2.552 -4.762 5.269 1.00 0.00 H new ATOM 0 HB THR A 62 3.585 -3.424 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.621 -4.512 9.262 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.598 -3.436 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.151 -3.468 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.060 -4.957 7.890 1.00 0.00 H new ATOM 674 N ASP A 63 5.333 -6.308 5.939 1.00 0.00 N ATOM 675 CA ASP A 63 6.738 -6.520 5.551 1.00 0.00 C ATOM 676 C ASP A 63 6.875 -6.628 4.017 1.00 0.00 C ATOM 677 O ASP A 63 7.842 -6.128 3.431 1.00 0.00 O ATOM 678 CB ASP A 63 7.271 -7.800 6.246 1.00 0.00 C ATOM 679 CG ASP A 63 8.784 -8.020 6.066 1.00 0.00 C ATOM 680 OD1 ASP A 63 9.572 -7.395 6.807 1.00 0.00 O ATOM 681 OD2 ASP A 63 9.196 -8.797 5.174 1.00 0.00 O ATOM 0 H ASP A 63 4.958 -7.054 6.525 1.00 0.00 H new ATOM 0 HA ASP A 63 7.332 -5.664 5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.045 -7.745 7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.738 -8.665 5.852 1.00 0.00 H new ATOM 686 N GLN A 64 5.868 -7.250 3.377 1.00 0.00 N ATOM 687 CA GLN A 64 5.854 -7.499 1.919 1.00 0.00 C ATOM 688 C GLN A 64 5.197 -6.336 1.142 1.00 0.00 C ATOM 689 O GLN A 64 5.268 -6.290 -0.091 1.00 0.00 O ATOM 690 CB GLN A 64 5.114 -8.835 1.632 1.00 0.00 C ATOM 691 CG GLN A 64 5.692 -10.052 2.395 1.00 0.00 C ATOM 692 CD GLN A 64 5.040 -11.404 2.057 1.00 0.00 C ATOM 693 OE1 GLN A 64 5.693 -12.442 2.117 1.00 0.00 O ATOM 694 NE2 GLN A 64 3.762 -11.416 1.704 1.00 0.00 N ATOM 0 H GLN A 64 5.037 -7.596 3.856 1.00 0.00 H new ATOM 0 HA GLN A 64 6.886 -7.570 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.063 -8.720 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.154 -9.038 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.760 -10.119 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.588 -9.873 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.237 -10.543 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.304 -12.299 1.476 1.00 0.00 H new ATOM 703 N LEU A 65 4.549 -5.413 1.880 1.00 0.00 N ATOM 704 CA LEU A 65 3.811 -4.275 1.298 1.00 0.00 C ATOM 705 C LEU A 65 4.745 -3.079 1.060 1.00 0.00 C ATOM 706 O LEU A 65 4.874 -2.197 1.923 1.00 0.00 O ATOM 707 CB LEU A 65 2.643 -3.849 2.229 1.00 0.00 C ATOM 708 CG LEU A 65 1.592 -4.940 2.557 1.00 0.00 C ATOM 709 CD1 LEU A 65 0.567 -4.428 3.574 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.895 -5.454 1.289 1.00 0.00 C ATOM 0 H LEU A 65 4.523 -5.436 2.899 1.00 0.00 H new ATOM 0 HA LEU A 65 3.404 -4.597 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.067 -3.490 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.128 -3.006 1.768 1.00 0.00 H new ATOM 0 HG LEU A 65 2.124 -5.780 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.159 -5.213 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.077 -4.147 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.052 -3.559 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.165 -6.217 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.388 -4.627 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.636 -5.883 0.615 1.00 0.00 H new ATOM 722 N VAL A 66 5.413 -3.058 -0.100 1.00 0.00 N ATOM 723 CA VAL A 66 6.281 -1.937 -0.491 1.00 0.00 C ATOM 724 C VAL A 66 5.524 -1.021 -1.476 1.00 0.00 C ATOM 725 O VAL A 66 5.132 -1.438 -2.577 1.00 0.00 O ATOM 726 CB VAL A 66 7.671 -2.421 -1.074 1.00 0.00 C ATOM 727 CG1 VAL A 66 8.517 -3.117 0.024 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.500 -3.354 -2.297 1.00 0.00 C ATOM 0 H VAL A 66 5.369 -3.809 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 66 6.526 -1.364 0.403 1.00 0.00 H new ATOM 0 HB VAL A 66 8.200 -1.531 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.468 -3.441 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.703 -2.417 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.976 -3.983 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.481 -3.660 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.930 -4.236 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.968 -2.824 -3.087 1.00 0.00 H new ATOM 738 N LEU A 67 5.264 0.216 -1.035 1.00 0.00 N ATOM 739 CA LEU A 67 4.656 1.252 -1.875 1.00 0.00 C ATOM 740 C LEU A 67 5.748 1.877 -2.736 1.00 0.00 C ATOM 741 O LEU A 67 6.885 1.994 -2.302 1.00 0.00 O ATOM 742 CB LEU A 67 3.987 2.346 -1.002 1.00 0.00 C ATOM 743 CG LEU A 67 2.724 1.917 -0.196 1.00 0.00 C ATOM 744 CD1 LEU A 67 2.246 3.059 0.722 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.581 1.463 -1.135 1.00 0.00 C ATOM 0 H LEU A 67 5.470 0.526 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 67 3.887 0.803 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.729 2.722 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.712 3.178 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 67 3.004 1.067 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.363 2.737 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.039 3.318 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.997 3.931 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.716 1.171 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.306 2.284 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.915 0.614 -1.731 1.00 0.00 H new ATOM 757 N ILE A 68 5.403 2.207 -3.983 1.00 0.00 N ATOM 758 CA ILE A 68 6.276 2.951 -4.893 1.00 0.00 C ATOM 759 C ILE A 68 5.507 4.181 -5.394 1.00 0.00 C ATOM 760 O ILE A 68 4.332 4.081 -5.779 1.00 0.00 O ATOM 761 CB ILE A 68 6.792 2.094 -6.129 1.00 0.00 C ATOM 762 CG1 ILE A 68 7.673 0.869 -5.683 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.590 2.975 -7.135 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.908 -0.358 -5.207 1.00 0.00 C ATOM 0 H ILE A 68 4.501 1.963 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 68 7.169 3.235 -4.336 1.00 0.00 H new ATOM 0 HB ILE A 68 5.901 1.706 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.306 0.577 -6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.335 1.195 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.929 2.360 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.948 3.772 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.453 3.411 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.613 -1.140 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.296 -0.093 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.266 -0.721 -6.010 1.00 0.00 H new ATOM 776 N PHE A 69 6.180 5.327 -5.353 1.00 0.00 N ATOM 777 CA PHE A 69 5.679 6.597 -5.889 1.00 0.00 C ATOM 778 C PHE A 69 6.876 7.537 -6.062 1.00 0.00 C ATOM 779 O PHE A 69 7.823 7.480 -5.262 1.00 0.00 O ATOM 780 CB PHE A 69 4.607 7.229 -4.960 1.00 0.00 C ATOM 781 CG PHE A 69 3.692 8.251 -5.653 1.00 0.00 C ATOM 782 CD1 PHE A 69 4.083 9.579 -5.835 1.00 0.00 C ATOM 783 CD2 PHE A 69 2.438 7.866 -6.134 1.00 0.00 C ATOM 784 CE1 PHE A 69 3.248 10.484 -6.460 1.00 0.00 C ATOM 785 CE2 PHE A 69 1.604 8.777 -6.758 1.00 0.00 C ATOM 786 CZ PHE A 69 2.011 10.081 -6.927 1.00 0.00 C ATOM 0 H PHE A 69 7.109 5.405 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 69 5.191 6.423 -6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.991 6.433 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.109 7.717 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.051 9.903 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.115 6.842 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.562 11.510 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.633 8.465 -7.113 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.364 10.789 -7.424 1.00 0.00 H new ATOM 796 N ALA A 70 6.820 8.384 -7.111 1.00 0.00 N ATOM 797 CA ALA A 70 7.920 9.291 -7.511 1.00 0.00 C ATOM 798 C ALA A 70 9.138 8.498 -8.028 1.00 0.00 C ATOM 799 O ALA A 70 10.248 9.028 -8.109 1.00 0.00 O ATOM 800 CB ALA A 70 8.303 10.259 -6.363 1.00 0.00 C ATOM 0 H ALA A 70 6.000 8.459 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 70 7.561 9.905 -8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.113 10.910 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.438 10.864 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.628 9.684 -5.496 1.00 0.00 H new ATOM 806 N GLY A 71 8.902 7.227 -8.414 1.00 0.00 N ATOM 807 CA GLY A 71 9.957 6.331 -8.890 1.00 0.00 C ATOM 808 C GLY A 71 10.741 5.647 -7.764 1.00 0.00 C ATOM 809 O GLY A 71 11.676 4.888 -8.042 1.00 0.00 O ATOM 0 H GLY A 71 7.975 6.801 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.512 5.567 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.651 6.899 -9.510 1.00 0.00 H new ATOM 813 N LYS A 72 10.352 5.884 -6.495 1.00 0.00 N ATOM 814 CA LYS A 72 11.089 5.379 -5.314 1.00 0.00 C ATOM 815 C LYS A 72 10.126 4.670 -4.340 1.00 0.00 C ATOM 816 O LYS A 72 8.927 4.955 -4.329 1.00 0.00 O ATOM 817 CB LYS A 72 11.863 6.559 -4.637 1.00 0.00 C ATOM 818 CG LYS A 72 10.999 7.690 -3.991 1.00 0.00 C ATOM 819 CD LYS A 72 10.692 7.444 -2.489 1.00 0.00 C ATOM 820 CE LYS A 72 11.975 7.320 -1.650 1.00 0.00 C ATOM 821 NZ LYS A 72 11.704 7.018 -0.223 1.00 0.00 N ATOM 0 H LYS A 72 9.522 6.428 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 72 11.823 4.636 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.510 6.142 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.512 7.013 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.520 8.642 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.060 7.778 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.085 8.264 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.101 6.534 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.603 6.534 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.539 8.250 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.597 7.030 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.059 7.734 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.266 6.078 -0.144 1.00 0.00 H new ATOM 835 N ILE A 73 10.669 3.749 -3.521 1.00 0.00 N ATOM 836 CA ILE A 73 9.878 2.994 -2.524 1.00 0.00 C ATOM 837 C ILE A 73 9.602 3.863 -1.272 1.00 0.00 C ATOM 838 O ILE A 73 10.515 4.467 -0.700 1.00 0.00 O ATOM 839 CB ILE A 73 10.520 1.594 -2.113 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.846 1.712 -1.275 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.738 0.699 -3.360 1.00 0.00 C ATOM 842 CD1 ILE A 73 13.057 2.260 -2.002 1.00 0.00 C ATOM 0 H ILE A 73 11.660 3.507 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 73 8.934 2.754 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 73 9.793 1.124 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.649 2.348 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.097 0.723 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.177 -0.251 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.781 0.516 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.410 1.202 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.907 2.293 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.296 1.616 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.841 3.266 -2.361 1.00 0.00 H new ATOM 854 N LEU A 74 8.318 3.958 -0.894 1.00 0.00 N ATOM 855 CA LEU A 74 7.864 4.670 0.308 1.00 0.00 C ATOM 856 C LEU A 74 7.992 3.735 1.520 1.00 0.00 C ATOM 857 O LEU A 74 7.431 2.628 1.514 1.00 0.00 O ATOM 858 CB LEU A 74 6.386 5.120 0.144 1.00 0.00 C ATOM 859 CG LEU A 74 5.997 5.797 -1.209 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.506 6.218 -1.206 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.921 6.993 -1.536 1.00 0.00 C ATOM 0 H LEU A 74 7.555 3.536 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 74 8.480 5.557 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.749 4.246 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.152 5.815 0.950 1.00 0.00 H new ATOM 0 HG LEU A 74 6.136 5.060 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.258 6.687 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.880 5.338 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.329 6.926 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.619 7.438 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.844 7.739 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.952 6.647 -1.610 1.00 0.00 H new ATOM 873 N LYS A 75 8.737 4.180 2.539 1.00 0.00 N ATOM 874 CA LYS A 75 9.021 3.390 3.755 1.00 0.00 C ATOM 875 C LYS A 75 8.449 4.079 5.006 1.00 0.00 C ATOM 876 O LYS A 75 7.714 5.061 4.902 1.00 0.00 O ATOM 877 CB LYS A 75 10.557 3.154 3.897 1.00 0.00 C ATOM 878 CG LYS A 75 11.234 2.467 2.680 1.00 0.00 C ATOM 879 CD LYS A 75 10.530 1.147 2.236 1.00 0.00 C ATOM 880 CE LYS A 75 10.457 0.074 3.341 1.00 0.00 C ATOM 881 NZ LYS A 75 11.798 -0.375 3.788 1.00 0.00 N ATOM 0 H LYS A 75 9.166 5.105 2.548 1.00 0.00 H new ATOM 0 HA LYS A 75 8.531 2.421 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.042 4.115 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.735 2.545 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.246 3.163 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.273 2.249 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.519 1.381 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.061 0.735 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.908 0.473 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.894 -0.784 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.693 -1.096 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.315 -0.781 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.328 0.436 4.165 1.00 0.00 H new ATOM 895 N ASP A 76 8.797 3.531 6.186 1.00 0.00 N ATOM 896 CA ASP A 76 8.316 4.006 7.503 1.00 0.00 C ATOM 897 C ASP A 76 8.634 5.493 7.743 1.00 0.00 C ATOM 898 O ASP A 76 7.789 6.246 8.241 1.00 0.00 O ATOM 899 CB ASP A 76 8.926 3.135 8.640 1.00 0.00 C ATOM 900 CG ASP A 76 10.469 3.131 8.643 1.00 0.00 C ATOM 901 OD1 ASP A 76 11.065 2.454 7.778 1.00 0.00 O ATOM 902 OD2 ASP A 76 11.090 3.818 9.484 1.00 0.00 O ATOM 0 H ASP A 76 9.430 2.734 6.255 1.00 0.00 H new ATOM 0 HA ASP A 76 7.231 3.905 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.568 3.503 9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.567 2.111 8.537 1.00 0.00 H new ATOM 907 N GLN A 77 9.847 5.906 7.351 1.00 0.00 N ATOM 908 CA GLN A 77 10.319 7.292 7.521 1.00 0.00 C ATOM 909 C GLN A 77 9.587 8.256 6.563 1.00 0.00 C ATOM 910 O GLN A 77 9.532 9.458 6.820 1.00 0.00 O ATOM 911 CB GLN A 77 11.848 7.375 7.284 1.00 0.00 C ATOM 912 CG GLN A 77 12.303 6.900 5.889 1.00 0.00 C ATOM 913 CD GLN A 77 13.781 7.171 5.630 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.639 6.335 5.912 1.00 0.00 O ATOM 915 NE2 GLN A 77 14.092 8.347 5.105 1.00 0.00 N ATOM 0 H GLN A 77 10.530 5.292 6.907 1.00 0.00 H new ATOM 0 HA GLN A 77 10.097 7.594 8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.170 8.407 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.354 6.776 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.111 5.831 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.707 7.401 5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.356 9.017 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.068 8.582 4.923 1.00 0.00 H new ATOM 924 N ASP A 78 9.015 7.704 5.480 1.00 0.00 N ATOM 925 CA ASP A 78 8.330 8.479 4.438 1.00 0.00 C ATOM 926 C ASP A 78 6.892 8.805 4.840 1.00 0.00 C ATOM 927 O ASP A 78 6.249 8.069 5.610 1.00 0.00 O ATOM 928 CB ASP A 78 8.319 7.706 3.091 1.00 0.00 C ATOM 929 CG ASP A 78 9.714 7.557 2.480 1.00 0.00 C ATOM 930 OD1 ASP A 78 10.461 6.639 2.876 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.078 8.372 1.614 1.00 0.00 O ATOM 0 H ASP A 78 9.016 6.699 5.304 1.00 0.00 H new ATOM 0 HA ASP A 78 8.882 9.411 4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.889 6.717 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.672 8.226 2.385 1.00 0.00 H new ATOM 936 N THR A 79 6.410 9.938 4.327 1.00 0.00 N ATOM 937 CA THR A 79 4.991 10.273 4.301 1.00 0.00 C ATOM 938 C THR A 79 4.537 10.293 2.840 1.00 0.00 C ATOM 939 O THR A 79 5.301 10.698 1.947 1.00 0.00 O ATOM 940 CB THR A 79 4.711 11.660 4.960 1.00 0.00 C ATOM 941 OG1 THR A 79 5.418 12.684 4.253 1.00 0.00 O ATOM 942 CG2 THR A 79 5.114 11.707 6.444 1.00 0.00 C ATOM 0 H THR A 79 7.004 10.656 3.913 1.00 0.00 H new ATOM 0 HA THR A 79 4.439 9.527 4.873 1.00 0.00 H new ATOM 0 HB THR A 79 3.635 11.824 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.238 13.553 4.669 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.896 12.695 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.551 10.956 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.181 11.503 6.538 1.00 0.00 H new ATOM 950 N LEU A 80 3.304 9.829 2.601 1.00 0.00 N ATOM 951 CA LEU A 80 2.692 9.860 1.268 1.00 0.00 C ATOM 952 C LEU A 80 2.540 11.317 0.766 1.00 0.00 C ATOM 953 O LEU A 80 2.853 11.619 -0.389 1.00 0.00 O ATOM 954 CB LEU A 80 1.350 9.041 1.254 1.00 0.00 C ATOM 955 CG LEU A 80 0.403 9.127 2.517 1.00 0.00 C ATOM 956 CD1 LEU A 80 -0.341 10.473 2.633 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.596 7.946 2.542 1.00 0.00 C ATOM 0 H LEU A 80 2.706 9.424 3.322 1.00 0.00 H new ATOM 0 HA LEU A 80 3.353 9.367 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.775 9.361 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.603 7.992 1.100 1.00 0.00 H new ATOM 0 HG LEU A 80 1.055 9.059 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.973 10.464 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.383 11.284 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.960 10.624 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.236 8.029 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.211 7.970 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.047 7.005 2.581 1.00 0.00 H new ATOM 969 N SER A 81 2.164 12.216 1.688 1.00 0.00 N ATOM 970 CA SER A 81 1.902 13.635 1.400 1.00 0.00 C ATOM 971 C SER A 81 3.166 14.372 0.890 1.00 0.00 C ATOM 972 O SER A 81 3.055 15.256 0.036 1.00 0.00 O ATOM 973 CB SER A 81 1.349 14.308 2.674 1.00 0.00 C ATOM 974 OG SER A 81 1.103 15.687 2.476 1.00 0.00 O ATOM 0 H SER A 81 2.031 11.974 2.670 1.00 0.00 H new ATOM 0 HA SER A 81 1.166 13.696 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.425 13.814 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.059 14.179 3.491 1.00 0.00 H new ATOM 0 HG SER A 81 0.752 16.079 3.303 1.00 0.00 H new ATOM 980 N GLN A 82 4.363 13.979 1.400 1.00 0.00 N ATOM 981 CA GLN A 82 5.664 14.563 0.968 1.00 0.00 C ATOM 982 C GLN A 82 5.900 14.332 -0.543 1.00 0.00 C ATOM 983 O GLN A 82 6.453 15.193 -1.237 1.00 0.00 O ATOM 984 CB GLN A 82 6.833 13.955 1.794 1.00 0.00 C ATOM 985 CG GLN A 82 8.234 14.533 1.496 1.00 0.00 C ATOM 986 CD GLN A 82 8.357 16.028 1.815 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.126 16.884 0.957 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.697 16.353 3.052 1.00 0.00 N ATOM 0 H GLN A 82 4.455 13.257 2.114 1.00 0.00 H new ATOM 0 HA GLN A 82 5.628 15.637 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.619 14.098 2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.858 12.880 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.976 13.983 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.468 14.373 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.882 15.622 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.774 17.335 3.318 1.00 0.00 H new ATOM 997 N HIS A 83 5.430 13.175 -1.046 1.00 0.00 N ATOM 998 CA HIS A 83 5.599 12.784 -2.469 1.00 0.00 C ATOM 999 C HIS A 83 4.457 13.318 -3.354 1.00 0.00 C ATOM 1000 O HIS A 83 4.296 12.878 -4.495 1.00 0.00 O ATOM 1001 CB HIS A 83 5.720 11.243 -2.575 1.00 0.00 C ATOM 1002 CG HIS A 83 6.927 10.725 -1.857 1.00 0.00 C ATOM 1003 ND1 HIS A 83 6.930 10.455 -0.513 1.00 0.00 N ATOM 1004 CD2 HIS A 83 8.192 10.495 -2.288 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.137 10.097 -0.142 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.923 10.106 -1.201 1.00 0.00 N ATOM 0 H HIS A 83 4.926 12.486 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 83 6.517 13.239 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.825 10.780 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.771 10.955 -3.625 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.120 10.522 0.103 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.554 10.600 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.437 9.838 0.863 1.00 0.00 H new ATOM 1015 N GLY A 84 3.685 14.288 -2.820 1.00 0.00 N ATOM 1016 CA GLY A 84 2.621 14.966 -3.567 1.00 0.00 C ATOM 1017 C GLY A 84 1.374 14.110 -3.737 1.00 0.00 C ATOM 1018 O GLY A 84 0.555 14.364 -4.633 1.00 0.00 O ATOM 0 H GLY A 84 3.787 14.618 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.354 15.888 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.998 15.248 -4.550 1.00 0.00 H new ATOM 1022 N ILE A 85 1.226 13.097 -2.867 1.00 0.00 N ATOM 1023 CA ILE A 85 0.058 12.211 -2.869 1.00 0.00 C ATOM 1024 C ILE A 85 -1.057 12.880 -2.067 1.00 0.00 C ATOM 1025 O ILE A 85 -0.863 13.229 -0.901 1.00 0.00 O ATOM 1026 CB ILE A 85 0.394 10.804 -2.264 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.581 10.156 -3.048 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -0.852 9.875 -2.251 1.00 0.00 C ATOM 1029 CD1 ILE A 85 2.156 8.909 -2.414 1.00 0.00 C ATOM 0 H ILE A 85 1.912 12.873 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.259 12.047 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 85 0.697 10.940 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.242 9.911 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.376 10.894 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.581 8.909 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.638 10.330 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.211 9.734 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.973 8.532 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.531 9.147 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.379 8.148 -2.337 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.191 13.101 -2.736 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.364 13.778 -2.176 1.00 0.00 C ATOM 1043 C HIS A 86 -4.642 13.032 -2.599 1.00 0.00 C ATOM 1044 O HIS A 86 -4.587 11.906 -3.113 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.420 15.262 -2.656 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.313 16.134 -2.138 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.364 16.736 -0.904 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -1.126 16.502 -2.678 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -1.269 17.433 -0.711 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -0.502 17.306 -1.767 1.00 0.00 N ATOM 0 H HIS A 86 -2.323 12.808 -3.704 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.290 13.773 -1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.396 15.278 -3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.374 15.692 -2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -0.745 16.214 -3.647 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.038 18.014 0.170 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.414 17.738 -1.889 1.00 0.00 H new ATOM 1059 N ASP A 87 -5.779 13.677 -2.311 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.112 13.301 -2.790 1.00 0.00 C ATOM 1061 C ASP A 87 -7.111 13.127 -4.326 1.00 0.00 C ATOM 1062 O ASP A 87 -6.901 14.098 -5.066 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.115 14.409 -2.342 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.510 14.307 -2.977 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.352 13.565 -2.467 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.763 14.967 -4.006 1.00 0.00 O ATOM 0 H ASP A 87 -5.795 14.505 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.412 12.343 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.220 14.368 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.691 15.383 -2.584 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.294 11.878 -4.790 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.347 11.570 -6.229 1.00 0.00 C ATOM 1073 C GLY A 88 -6.089 10.890 -6.741 1.00 0.00 C ATOM 1074 O GLY A 88 -6.128 10.199 -7.772 1.00 0.00 O ATOM 0 H GLY A 88 -7.408 11.064 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.205 10.927 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.506 12.493 -6.786 1.00 0.00 H new ATOM 1078 N LEU A 89 -4.971 11.081 -6.019 1.00 0.00 N ATOM 1079 CA LEU A 89 -3.671 10.496 -6.390 1.00 0.00 C ATOM 1080 C LEU A 89 -3.660 9.002 -6.028 1.00 0.00 C ATOM 1081 O LEU A 89 -4.160 8.596 -4.961 1.00 0.00 O ATOM 1082 CB LEU A 89 -2.484 11.247 -5.710 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.083 12.644 -6.312 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -1.605 12.507 -7.769 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.225 13.680 -6.197 1.00 0.00 C ATOM 0 H LEU A 89 -4.943 11.642 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.537 10.605 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.732 11.390 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.608 10.599 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.251 13.018 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.335 13.489 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.736 11.850 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.405 12.084 -8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.901 14.628 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.100 13.318 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.480 13.825 -5.147 1.00 0.00 H new ATOM 1097 N THR A 90 -3.094 8.209 -6.936 1.00 0.00 N ATOM 1098 CA THR A 90 -3.059 6.751 -6.850 1.00 0.00 C ATOM 1099 C THR A 90 -1.612 6.279 -6.643 1.00 0.00 C ATOM 1100 O THR A 90 -0.724 6.601 -7.439 1.00 0.00 O ATOM 1101 CB THR A 90 -3.665 6.129 -8.152 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.004 6.632 -8.331 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.704 4.589 -8.110 1.00 0.00 C ATOM 0 H THR A 90 -2.636 8.572 -7.772 1.00 0.00 H new ATOM 0 HA THR A 90 -3.656 6.421 -6.000 1.00 0.00 H new ATOM 0 HB THR A 90 -3.023 6.416 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.391 6.249 -9.146 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.133 4.210 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.691 4.202 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.315 4.263 -7.268 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.389 5.517 -5.564 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.077 4.970 -5.213 1.00 0.00 C ATOM 1113 C VAL A 91 0.046 3.554 -5.779 1.00 0.00 C ATOM 1114 O VAL A 91 -0.943 2.814 -5.870 1.00 0.00 O ATOM 1115 CB VAL A 91 0.138 4.933 -3.651 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.598 4.584 -3.271 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.289 6.264 -3.017 1.00 0.00 C ATOM 0 H VAL A 91 -2.124 5.262 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 91 0.688 5.618 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.493 4.138 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.698 4.570 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.854 3.603 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.271 5.333 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.134 6.220 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.307 7.075 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.344 6.444 -3.224 1.00 0.00 H new ATOM 1127 N HIS A 92 1.270 3.202 -6.160 1.00 0.00 N ATOM 1128 CA HIS A 92 1.610 1.866 -6.640 1.00 0.00 C ATOM 1129 C HIS A 92 1.965 1.009 -5.424 1.00 0.00 C ATOM 1130 O HIS A 92 2.627 1.494 -4.504 1.00 0.00 O ATOM 1131 CB HIS A 92 2.818 1.929 -7.608 1.00 0.00 C ATOM 1132 CG HIS A 92 2.672 2.919 -8.737 1.00 0.00 C ATOM 1133 ND1 HIS A 92 2.550 2.550 -10.056 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.651 4.276 -8.731 1.00 0.00 C ATOM 1135 CE1 HIS A 92 2.465 3.628 -10.803 1.00 0.00 C ATOM 1136 NE2 HIS A 92 2.527 4.686 -10.028 1.00 0.00 N ATOM 0 H HIS A 92 2.063 3.843 -6.144 1.00 0.00 H new ATOM 0 HA HIS A 92 0.766 1.437 -7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.711 2.180 -7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.979 0.937 -8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.720 4.913 -7.862 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.361 3.641 -11.878 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.489 5.655 -10.343 1.00 0.00 H new ATOM 1145 N LEU A 93 1.500 -0.237 -5.397 1.00 0.00 N ATOM 1146 CA LEU A 93 1.896 -1.203 -4.361 1.00 0.00 C ATOM 1147 C LEU A 93 2.301 -2.517 -5.014 1.00 0.00 C ATOM 1148 O LEU A 93 1.598 -3.045 -5.890 1.00 0.00 O ATOM 1149 CB LEU A 93 0.752 -1.441 -3.345 1.00 0.00 C ATOM 1150 CG LEU A 93 0.996 -2.543 -2.253 1.00 0.00 C ATOM 1151 CD1 LEU A 93 2.120 -2.156 -1.284 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.292 -2.877 -1.487 1.00 0.00 C ATOM 0 H LEU A 93 0.844 -0.609 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 93 2.745 -0.791 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.546 -0.499 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.147 -1.706 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 93 1.314 -3.440 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.253 -2.948 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.048 -2.018 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.859 -1.227 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.083 -3.643 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.664 -1.980 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.045 -3.245 -2.184 1.00 0.00 H new ATOM 1164 N VAL A 94 3.450 -3.031 -4.575 1.00 0.00 N ATOM 1165 CA VAL A 94 3.967 -4.330 -4.995 1.00 0.00 C ATOM 1166 C VAL A 94 4.061 -5.223 -3.760 1.00 0.00 C ATOM 1167 O VAL A 94 4.686 -4.850 -2.753 1.00 0.00 O ATOM 1168 CB VAL A 94 5.375 -4.206 -5.694 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.918 -5.592 -6.122 1.00 0.00 C ATOM 1170 CG2 VAL A 94 5.314 -3.241 -6.904 1.00 0.00 C ATOM 0 H VAL A 94 4.054 -2.549 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 94 3.290 -4.763 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 94 6.067 -3.789 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.890 -5.470 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.023 -6.229 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.224 -6.054 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.299 -3.175 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.595 -3.616 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.005 -2.252 -6.565 1.00 0.00 H new ATOM 1180 N ILE A 95 3.406 -6.384 -3.831 1.00 0.00 N ATOM 1181 CA ILE A 95 3.397 -7.364 -2.745 1.00 0.00 C ATOM 1182 C ILE A 95 4.096 -8.640 -3.236 1.00 0.00 C ATOM 1183 O ILE A 95 4.022 -8.968 -4.432 1.00 0.00 O ATOM 1184 CB ILE A 95 1.932 -7.715 -2.270 1.00 0.00 C ATOM 1185 CG1 ILE A 95 1.011 -6.442 -2.240 1.00 0.00 C ATOM 1186 CG2 ILE A 95 1.981 -8.386 -0.876 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -0.442 -6.698 -1.843 1.00 0.00 C ATOM 0 H ILE A 95 2.865 -6.671 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 95 3.920 -6.934 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 95 1.499 -8.410 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.439 -5.720 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.025 -5.980 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.968 -8.626 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.571 -9.301 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.439 -7.704 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.993 -5.758 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.896 -7.392 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.475 -7.128 -0.842 1.00 0.00 H new ATOM 1199 N LYS A 96 4.798 -9.327 -2.322 1.00 0.00 N ATOM 1200 CA LYS A 96 5.427 -10.630 -2.605 1.00 0.00 C ATOM 1201 C LYS A 96 4.358 -11.720 -2.880 1.00 0.00 C ATOM 1202 O LYS A 96 4.621 -12.695 -3.610 1.00 0.00 O ATOM 1203 CB LYS A 96 6.370 -11.019 -1.432 1.00 0.00 C ATOM 1204 CG LYS A 96 7.083 -12.389 -1.570 1.00 0.00 C ATOM 1205 CD LYS A 96 7.905 -12.521 -2.876 1.00 0.00 C ATOM 1206 CE LYS A 96 8.539 -13.915 -3.038 1.00 0.00 C ATOM 1207 NZ LYS A 96 9.197 -14.068 -4.363 1.00 0.00 N ATOM 0 H LYS A 96 4.946 -8.998 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 96 6.027 -10.549 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.129 -10.244 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.790 -11.023 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.744 -12.535 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.338 -13.184 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.259 -12.318 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.691 -11.765 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.271 -14.076 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.771 -14.680 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.613 -15.018 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.493 -13.939 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.946 -13.354 -4.463 1.00 0.00 H new