USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 14 LYS NZ :NH3+ -140:sc= 0.084 (180deg=0) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.631 X(o=-0.55,f=-0.71) USER MOD Single : A 1 LEU N :NH3+ 142:sc= 0.00467 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.343 USER MOD Single : A 4 THR OG1 : rot 150:sc= -1.68 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.396) USER MOD Single : A 13 SER OG : rot 48:sc= 1.11 USER MOD Single : A 17 SER OG : rot 54:sc= 1.2 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.95 K(o=-0.95,f=-1.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.34 K(o=-4.3,f=-14!) USER MOD Single : A 30 THR OG1 : rot -5:sc= 1.01 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.36) USER MOD Single : A 54 THR OG1 : rot -67:sc= 0.408 USER MOD Single : A 56 SER OG : rot 180:sc= -0.111 USER MOD Single : A 58 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.67) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= -1.04 (180deg=-1.64) USER MOD Single : A 64 ASN : amide:sc= -6.95! C(o=-7!,f=-6.7!) USER MOD Single : A 65 THR OG1 : rot -109:sc= -0.646 USER MOD Single : A 67 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.051) USER MOD Single : A 72 TYR OH : rot 130:sc= -0.229 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0701 K(o=-0.07,f=-1.9!) USER MOD Single : A 77 ASN : amide:sc= -3.15! K(o=-3.2!,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0194 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 8.463 -7.386 -1.615 1.00 0.00 N ATOM 2 CA LEU A 1 7.715 -6.176 -1.939 1.00 0.00 C ATOM 3 C LEU A 1 8.076 -5.669 -3.332 1.00 0.00 C ATOM 4 O LEU A 1 9.249 -5.617 -3.701 1.00 0.00 O ATOM 5 CB LEU A 1 7.994 -5.087 -0.900 1.00 0.00 C ATOM 6 CG LEU A 1 7.033 -5.031 0.287 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.601 -4.154 1.392 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.669 -4.520 -0.154 1.00 0.00 C ATOM 0 H1 LEU A 1 8.735 -7.367 -0.612 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.869 -8.220 -1.797 1.00 0.00 H new ATOM 0 H3 LEU A 1 9.318 -7.434 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 1 6.653 -6.420 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.005 -5.228 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 1 7.976 -4.120 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 1 6.911 -6.041 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.903 -4.126 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.554 -4.563 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.753 -3.144 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.998 -4.487 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.773 -3.519 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.257 -5.188 -0.911 1.00 0.00 H new ATOM 20 N LYS A 2 7.059 -5.295 -4.101 1.00 0.00 N ATOM 21 CA LYS A 2 7.267 -4.789 -5.452 1.00 0.00 C ATOM 22 C LYS A 2 6.839 -3.329 -5.559 1.00 0.00 C ATOM 23 O LYS A 2 7.577 -2.492 -6.078 1.00 0.00 O ATOM 24 CB LYS A 2 6.488 -5.635 -6.462 1.00 0.00 C ATOM 25 CG LYS A 2 7.097 -7.005 -6.706 1.00 0.00 C ATOM 26 CD LYS A 2 6.047 -8.013 -7.141 1.00 0.00 C ATOM 27 CE LYS A 2 6.361 -9.406 -6.616 1.00 0.00 C ATOM 28 NZ LYS A 2 5.515 -10.446 -7.264 1.00 0.00 N ATOM 0 H LYS A 2 6.082 -5.333 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 2 8.332 -4.855 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.465 -5.759 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.433 -5.097 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.869 -6.930 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.584 -7.355 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.068 -7.699 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.993 -8.037 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.413 -9.632 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.205 -9.431 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.759 -11.381 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.512 -10.245 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.682 -10.439 -8.290 1.00 0.00 H new ATOM 42 N SER A 3 5.642 -3.030 -5.063 1.00 0.00 N ATOM 43 CA SER A 3 5.115 -1.672 -5.104 1.00 0.00 C ATOM 44 C SER A 3 4.620 -1.323 -6.505 1.00 0.00 C ATOM 45 O SER A 3 3.445 -1.010 -6.701 1.00 0.00 O ATOM 46 CB SER A 3 6.188 -0.672 -4.667 1.00 0.00 C ATOM 47 OG SER A 3 7.013 -1.220 -3.654 1.00 0.00 O ATOM 0 H SER A 3 5.019 -3.711 -4.628 1.00 0.00 H new ATOM 0 HA SER A 3 4.273 -1.615 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.799 -0.391 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.714 0.239 -4.301 1.00 0.00 H new ATOM 0 HG SER A 3 7.691 -0.563 -3.393 1.00 0.00 H new ATOM 53 N THR A 4 5.525 -1.380 -7.477 1.00 0.00 N ATOM 54 CA THR A 4 5.183 -1.070 -8.859 1.00 0.00 C ATOM 55 C THR A 4 3.945 -1.840 -9.304 1.00 0.00 C ATOM 56 O THR A 4 3.150 -1.346 -10.105 1.00 0.00 O ATOM 57 CB THR A 4 6.348 -1.397 -9.813 1.00 0.00 C ATOM 58 OG1 THR A 4 6.117 -0.796 -11.092 1.00 0.00 O ATOM 59 CG2 THR A 4 6.507 -2.901 -9.976 1.00 0.00 C ATOM 0 H THR A 4 6.501 -1.638 -7.332 1.00 0.00 H new ATOM 0 HA THR A 4 4.978 -0.000 -8.902 1.00 0.00 H new ATOM 0 HB THR A 4 7.265 -0.994 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.976 -0.579 -11.511 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.335 -3.108 -10.654 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.711 -3.353 -9.005 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.589 -3.322 -10.386 1.00 0.00 H new ATOM 67 N PHE A 5 3.786 -3.051 -8.781 1.00 0.00 N ATOM 68 CA PHE A 5 2.643 -3.889 -9.126 1.00 0.00 C ATOM 69 C PHE A 5 1.333 -3.140 -8.902 1.00 0.00 C ATOM 70 O PHE A 5 0.387 -3.278 -9.678 1.00 0.00 O ATOM 71 CB PHE A 5 2.657 -5.174 -8.295 1.00 0.00 C ATOM 72 CG PHE A 5 1.546 -6.123 -8.641 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.090 -6.232 -9.945 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.957 -6.907 -7.662 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.068 -7.105 -10.266 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.065 -7.782 -7.978 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.511 -7.880 -9.281 1.00 0.00 C ATOM 0 H PHE A 5 4.434 -3.474 -8.117 1.00 0.00 H new ATOM 0 HA PHE A 5 2.718 -4.147 -10.182 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.613 -5.679 -8.437 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.587 -4.915 -7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.539 -5.628 -10.720 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.300 -6.833 -6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.277 -7.181 -11.286 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.515 -8.389 -7.206 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.311 -8.562 -9.529 1.00 0.00 H new ATOM 87 N ASP A 6 1.285 -2.347 -7.838 1.00 0.00 N ATOM 88 CA ASP A 6 0.092 -1.576 -7.511 1.00 0.00 C ATOM 89 C ASP A 6 -0.308 -0.675 -8.676 1.00 0.00 C ATOM 90 O ASP A 6 -1.369 -0.853 -9.275 1.00 0.00 O ATOM 91 CB ASP A 6 0.330 -0.733 -6.257 1.00 0.00 C ATOM 92 CG ASP A 6 -0.942 -0.087 -5.744 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.956 -0.802 -5.603 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.923 1.134 -5.482 1.00 0.00 O ATOM 0 H ASP A 6 2.060 -2.221 -7.186 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.721 -2.276 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.755 -1.362 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.064 0.042 -6.477 1.00 0.00 H new ATOM 99 N ASP A 7 0.547 0.292 -8.989 1.00 0.00 N ATOM 100 CA ASP A 7 0.283 1.221 -10.082 1.00 0.00 C ATOM 101 C ASP A 7 0.163 0.479 -11.409 1.00 0.00 C ATOM 102 O ASP A 7 -0.528 0.931 -12.324 1.00 0.00 O ATOM 103 CB ASP A 7 1.393 2.270 -10.168 1.00 0.00 C ATOM 104 CG ASP A 7 1.276 3.327 -9.087 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.719 3.064 -7.950 1.00 0.00 O ATOM 106 OD2 ASP A 7 0.741 4.417 -9.379 1.00 0.00 O ATOM 0 H ASP A 7 1.428 0.453 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.664 1.722 -9.880 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.362 1.777 -10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.361 2.750 -11.146 1.00 0.00 H new ATOM 111 N ILE A 8 0.841 -0.659 -11.508 1.00 0.00 N ATOM 112 CA ILE A 8 0.810 -1.463 -12.723 1.00 0.00 C ATOM 113 C ILE A 8 -0.535 -2.164 -12.885 1.00 0.00 C ATOM 114 O ILE A 8 -1.010 -2.371 -14.002 1.00 0.00 O ATOM 115 CB ILE A 8 1.931 -2.519 -12.728 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.174 -1.972 -13.432 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.452 -3.796 -13.403 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.473 -2.442 -12.817 1.00 0.00 C ATOM 0 H ILE A 8 1.419 -1.045 -10.761 1.00 0.00 H new ATOM 0 HA ILE A 8 0.963 -0.779 -13.558 1.00 0.00 H new ATOM 0 HB ILE A 8 2.195 -2.753 -11.696 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.149 -2.270 -14.480 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.144 -0.883 -13.410 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.255 -4.533 -13.399 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.593 -4.193 -12.863 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.165 -3.578 -14.432 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.312 -2.015 -13.367 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.520 -2.121 -11.777 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.525 -3.530 -12.863 1.00 0.00 H new ATOM 130 N LYS A 9 -1.145 -2.527 -11.762 1.00 0.00 N ATOM 131 CA LYS A 9 -2.437 -3.202 -11.777 1.00 0.00 C ATOM 132 C LYS A 9 -3.567 -2.211 -12.038 1.00 0.00 C ATOM 133 O LYS A 9 -4.630 -2.581 -12.535 1.00 0.00 O ATOM 134 CB LYS A 9 -2.674 -3.923 -10.448 1.00 0.00 C ATOM 135 CG LYS A 9 -3.520 -3.129 -9.467 1.00 0.00 C ATOM 136 CD LYS A 9 -3.290 -3.584 -8.036 1.00 0.00 C ATOM 137 CE LYS A 9 -4.124 -2.776 -7.053 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.208 -3.595 -6.442 1.00 0.00 N ATOM 0 H LYS A 9 -0.765 -2.365 -10.829 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.426 -3.934 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.161 -4.878 -10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.711 -4.145 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.282 -2.069 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.574 -3.241 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.540 -4.641 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.234 -3.484 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.479 -2.382 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.561 -1.919 -7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.754 -3.009 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.838 -3.950 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.790 -4.399 -5.931 1.00 0.00 H new ATOM 152 N LYS A 10 -3.329 -0.948 -11.700 1.00 0.00 N ATOM 153 CA LYS A 10 -4.324 0.099 -11.901 1.00 0.00 C ATOM 154 C LYS A 10 -4.333 0.571 -13.351 1.00 0.00 C ATOM 155 O LYS A 10 -5.381 0.929 -13.890 1.00 0.00 O ATOM 156 CB LYS A 10 -4.045 1.281 -10.970 1.00 0.00 C ATOM 157 CG LYS A 10 -3.352 2.446 -11.657 1.00 0.00 C ATOM 158 CD LYS A 10 -2.906 3.498 -10.656 1.00 0.00 C ATOM 159 CE LYS A 10 -4.074 4.349 -10.184 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.426 5.406 -11.173 1.00 0.00 N ATOM 0 H LYS A 10 -2.455 -0.625 -11.285 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.304 -0.316 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.987 1.629 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.427 0.940 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.488 2.081 -12.212 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.029 2.897 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.439 3.012 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.149 4.137 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.941 3.711 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.823 4.813 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.969 6.156 -10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.556 5.809 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.999 4.991 -11.935 1.00 0.00 H new ATOM 174 N ILE A 11 -3.161 0.567 -13.977 1.00 0.00 N ATOM 175 CA ILE A 11 -3.036 0.993 -15.365 1.00 0.00 C ATOM 176 C ILE A 11 -3.498 -0.103 -16.320 1.00 0.00 C ATOM 177 O ILE A 11 -4.125 0.175 -17.343 1.00 0.00 O ATOM 178 CB ILE A 11 -1.584 1.377 -15.708 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.641 0.208 -15.414 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.165 2.613 -14.926 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.812 0.517 -15.700 1.00 0.00 C ATOM 0 H ILE A 11 -2.285 0.274 -13.545 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.673 1.869 -15.484 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.526 1.607 -16.772 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.744 -0.077 -14.367 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.945 -0.652 -16.010 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.137 2.872 -15.179 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.822 3.445 -15.181 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.236 2.409 -13.858 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.422 -0.356 -15.469 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.929 0.773 -16.753 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.133 1.357 -15.084 1.00 0.00 H new ATOM 193 N ILE A 12 -3.187 -1.348 -15.978 1.00 0.00 N ATOM 194 CA ILE A 12 -3.573 -2.486 -16.803 1.00 0.00 C ATOM 195 C ILE A 12 -5.055 -2.806 -16.638 1.00 0.00 C ATOM 196 O ILE A 12 -5.702 -3.292 -17.566 1.00 0.00 O ATOM 197 CB ILE A 12 -2.747 -3.739 -16.456 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.011 -4.167 -15.011 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.265 -3.473 -16.673 1.00 0.00 C ATOM 200 CD1 ILE A 12 -3.842 -5.426 -14.897 1.00 0.00 C ATOM 0 H ILE A 12 -2.669 -1.595 -15.135 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.377 -2.207 -17.838 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.051 -4.551 -17.117 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.057 -4.324 -14.507 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.519 -3.357 -14.488 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.694 -4.368 -16.424 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.091 -3.211 -17.717 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.946 -2.649 -16.034 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.990 -5.670 -13.845 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.810 -5.267 -15.372 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.326 -6.249 -15.392 1.00 0.00 H new ATOM 212 N SER A 13 -5.586 -2.529 -15.452 1.00 0.00 N ATOM 213 CA SER A 13 -6.992 -2.789 -15.165 1.00 0.00 C ATOM 214 C SER A 13 -7.887 -1.771 -15.864 1.00 0.00 C ATOM 215 O SER A 13 -8.931 -2.119 -16.416 1.00 0.00 O ATOM 216 CB SER A 13 -7.241 -2.752 -13.656 1.00 0.00 C ATOM 217 OG SER A 13 -8.629 -2.754 -13.368 1.00 0.00 O ATOM 0 H SER A 13 -5.064 -2.125 -14.674 1.00 0.00 H new ATOM 0 HA SER A 13 -7.237 -3.782 -15.543 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.767 -3.613 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.779 -1.861 -13.230 1.00 0.00 H new ATOM 0 HG SER A 13 -9.070 -3.459 -13.887 1.00 0.00 H new ATOM 223 N LYS A 14 -7.470 -0.510 -15.838 1.00 0.00 N ATOM 224 CA LYS A 14 -8.231 0.562 -16.470 1.00 0.00 C ATOM 225 C LYS A 14 -8.056 0.533 -17.985 1.00 0.00 C ATOM 226 O LYS A 14 -8.933 0.974 -18.728 1.00 0.00 O ATOM 227 CB LYS A 14 -7.791 1.921 -15.920 1.00 0.00 C ATOM 228 CG LYS A 14 -8.495 3.098 -16.574 1.00 0.00 C ATOM 229 CD LYS A 14 -7.635 3.730 -17.655 1.00 0.00 C ATOM 230 CE LYS A 14 -6.755 4.836 -17.092 1.00 0.00 C ATOM 231 NZ LYS A 14 -5.846 5.402 -18.127 1.00 0.00 N ATOM 0 H LYS A 14 -6.608 -0.205 -15.386 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.286 0.409 -16.241 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.978 1.947 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.715 2.029 -16.059 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.438 2.765 -17.007 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.737 3.844 -15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.010 2.966 -18.117 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.274 4.136 -18.439 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.383 5.629 -16.687 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.164 4.444 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.911 5.581 -17.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.750 4.726 -18.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.241 6.294 -18.486 1.00 0.00 H new ATOM 245 N GLN A 15 -6.920 0.011 -18.435 1.00 0.00 N ATOM 246 CA GLN A 15 -6.631 -0.075 -19.861 1.00 0.00 C ATOM 247 C GLN A 15 -7.296 -1.301 -20.478 1.00 0.00 C ATOM 248 O GLN A 15 -7.946 -1.210 -21.521 1.00 0.00 O ATOM 249 CB GLN A 15 -5.121 -0.128 -20.096 1.00 0.00 C ATOM 250 CG GLN A 15 -4.451 1.236 -20.056 1.00 0.00 C ATOM 251 CD GLN A 15 -5.077 2.222 -21.022 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.447 3.333 -20.640 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.200 1.821 -22.282 1.00 0.00 N ATOM 0 H GLN A 15 -6.185 -0.359 -17.833 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.035 0.816 -20.341 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.666 -0.769 -19.341 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.928 -0.590 -21.064 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.511 1.637 -19.044 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.393 1.124 -20.292 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.880 0.892 -22.555 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.615 2.442 -22.977 1.00 0.00 H new ATOM 262 N LEU A 16 -7.130 -2.448 -19.828 1.00 0.00 N ATOM 263 CA LEU A 16 -7.715 -3.694 -20.313 1.00 0.00 C ATOM 264 C LEU A 16 -8.916 -4.098 -19.464 1.00 0.00 C ATOM 265 O LEU A 16 -10.063 -3.954 -19.886 1.00 0.00 O ATOM 266 CB LEU A 16 -6.668 -4.809 -20.300 1.00 0.00 C ATOM 267 CG LEU A 16 -5.478 -4.624 -21.241 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.351 -3.884 -20.537 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.993 -5.970 -21.760 1.00 0.00 C ATOM 0 H LEU A 16 -6.595 -2.541 -18.964 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.055 -3.534 -21.336 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.289 -4.912 -19.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.162 -5.747 -20.552 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.802 -4.025 -22.092 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.512 -3.761 -21.222 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.704 -2.904 -20.216 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.028 -4.456 -19.667 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.145 -5.818 -22.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.686 -6.594 -20.921 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.800 -6.463 -22.303 1.00 0.00 H new ATOM 281 N SER A 17 -8.644 -4.603 -18.265 1.00 0.00 N ATOM 282 CA SER A 17 -9.703 -5.029 -17.357 1.00 0.00 C ATOM 283 C SER A 17 -9.118 -5.552 -16.048 1.00 0.00 C ATOM 284 O SER A 17 -9.150 -4.869 -15.024 1.00 0.00 O ATOM 285 CB SER A 17 -10.561 -6.112 -18.014 1.00 0.00 C ATOM 286 OG SER A 17 -11.725 -5.555 -18.599 1.00 0.00 O ATOM 0 H SER A 17 -7.700 -4.727 -17.900 1.00 0.00 H new ATOM 0 HA SER A 17 -10.328 -4.164 -17.136 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.979 -6.629 -18.777 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.845 -6.857 -17.270 1.00 0.00 H new ATOM 0 HG SER A 17 -11.470 -4.836 -19.214 1.00 0.00 H new ATOM 292 N VAL A 18 -8.584 -6.768 -16.090 1.00 0.00 N ATOM 293 CA VAL A 18 -7.990 -7.383 -14.909 1.00 0.00 C ATOM 294 C VAL A 18 -6.993 -8.469 -15.297 1.00 0.00 C ATOM 295 O VAL A 18 -7.310 -9.658 -15.259 1.00 0.00 O ATOM 296 CB VAL A 18 -9.068 -7.995 -13.993 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.754 -6.909 -13.178 1.00 0.00 C ATOM 298 CG2 VAL A 18 -10.081 -8.779 -14.813 1.00 0.00 C ATOM 0 H VAL A 18 -8.550 -7.347 -16.929 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.469 -6.592 -14.368 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.584 -8.684 -13.301 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.512 -7.359 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.016 -6.396 -12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.226 -6.193 -13.851 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.835 -9.204 -14.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.562 -8.114 -15.530 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.573 -9.582 -15.347 1.00 0.00 H new ATOM 308 N GLU A 19 -5.787 -8.052 -15.669 1.00 0.00 N ATOM 309 CA GLU A 19 -4.743 -8.990 -16.065 1.00 0.00 C ATOM 310 C GLU A 19 -3.633 -9.042 -15.019 1.00 0.00 C ATOM 311 O GLU A 19 -2.455 -9.153 -15.355 1.00 0.00 O ATOM 312 CB GLU A 19 -4.161 -8.596 -17.424 1.00 0.00 C ATOM 313 CG GLU A 19 -5.215 -8.227 -18.454 1.00 0.00 C ATOM 314 CD GLU A 19 -4.736 -8.433 -19.878 1.00 0.00 C ATOM 315 OE1 GLU A 19 -3.560 -8.124 -20.160 1.00 0.00 O ATOM 316 OE2 GLU A 19 -5.539 -8.904 -20.711 1.00 0.00 O ATOM 0 H GLU A 19 -5.509 -7.071 -15.704 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.191 -9.981 -16.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.485 -7.751 -17.289 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.564 -9.423 -17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.109 -8.827 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.501 -7.184 -18.318 1.00 0.00 H new ATOM 323 N GLU A 20 -4.020 -8.959 -13.750 1.00 0.00 N ATOM 324 CA GLU A 20 -3.057 -8.995 -12.655 1.00 0.00 C ATOM 325 C GLU A 20 -2.488 -10.400 -12.477 1.00 0.00 C ATOM 326 O GLU A 20 -1.551 -10.608 -11.706 1.00 0.00 O ATOM 327 CB GLU A 20 -3.714 -8.530 -11.354 1.00 0.00 C ATOM 328 CG GLU A 20 -4.613 -7.318 -11.525 1.00 0.00 C ATOM 329 CD GLU A 20 -5.149 -6.797 -10.206 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.448 -6.939 -9.182 1.00 0.00 O ATOM 331 OE2 GLU A 20 -6.271 -6.248 -10.197 1.00 0.00 O ATOM 0 H GLU A 20 -4.992 -8.867 -13.455 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.238 -8.319 -12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.300 -9.350 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.936 -8.295 -10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.056 -6.525 -12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.449 -7.579 -12.174 1.00 0.00 H new ATOM 338 N ASP A 21 -3.062 -11.360 -13.194 1.00 0.00 N ATOM 339 CA ASP A 21 -2.613 -12.745 -13.117 1.00 0.00 C ATOM 340 C ASP A 21 -1.807 -13.125 -14.355 1.00 0.00 C ATOM 341 O ASP A 21 -1.967 -14.216 -14.903 1.00 0.00 O ATOM 342 CB ASP A 21 -3.810 -13.684 -12.963 1.00 0.00 C ATOM 343 CG ASP A 21 -3.449 -14.971 -12.248 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.670 -15.767 -12.815 1.00 0.00 O ATOM 345 OD2 ASP A 21 -3.943 -15.182 -11.121 1.00 0.00 O ATOM 0 H ASP A 21 -3.840 -11.204 -13.835 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.969 -12.844 -12.243 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.599 -13.174 -12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.212 -13.920 -13.948 1.00 0.00 H new ATOM 350 N LYS A 22 -0.941 -12.217 -14.793 1.00 0.00 N ATOM 351 CA LYS A 22 -0.110 -12.456 -15.967 1.00 0.00 C ATOM 352 C LYS A 22 0.780 -11.252 -16.258 1.00 0.00 C ATOM 353 O LYS A 22 1.898 -11.399 -16.751 1.00 0.00 O ATOM 354 CB LYS A 22 -0.986 -12.762 -17.184 1.00 0.00 C ATOM 355 CG LYS A 22 -2.174 -11.827 -17.328 1.00 0.00 C ATOM 356 CD LYS A 22 -3.490 -12.568 -17.156 1.00 0.00 C ATOM 357 CE LYS A 22 -3.697 -13.600 -18.254 1.00 0.00 C ATOM 358 NZ LYS A 22 -3.947 -14.958 -17.698 1.00 0.00 N ATOM 0 H LYS A 22 -0.797 -11.309 -14.352 1.00 0.00 H new ATOM 0 HA LYS A 22 0.528 -13.316 -15.761 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.376 -12.702 -18.085 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.348 -13.788 -17.112 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.104 -11.031 -16.587 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.148 -11.352 -18.309 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.507 -13.061 -16.184 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.314 -11.855 -17.166 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.540 -13.302 -18.878 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.818 -13.627 -18.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.083 -15.633 -18.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.132 -15.253 -17.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.801 -14.938 -17.104 1.00 0.00 H new ATOM 372 N ILE A 23 0.277 -10.062 -15.948 1.00 0.00 N ATOM 373 CA ILE A 23 1.027 -8.833 -16.174 1.00 0.00 C ATOM 374 C ILE A 23 2.316 -8.818 -15.358 1.00 0.00 C ATOM 375 O ILE A 23 3.229 -8.041 -15.637 1.00 0.00 O ATOM 376 CB ILE A 23 0.192 -7.589 -15.817 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.848 -6.328 -16.383 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.029 -7.476 -14.308 1.00 0.00 C ATOM 379 CD1 ILE A 23 0.909 -6.305 -17.895 1.00 0.00 C ATOM 0 H ILE A 23 -0.647 -9.923 -15.539 1.00 0.00 H new ATOM 0 HA ILE A 23 1.271 -8.803 -17.236 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.797 -7.693 -16.263 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.296 -5.454 -16.036 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.859 -6.245 -15.985 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.563 -6.592 -14.071 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.477 -8.364 -13.929 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.010 -7.391 -13.841 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.386 -5.383 -18.226 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.486 -7.159 -18.249 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.101 -6.357 -18.301 1.00 0.00 H new ATOM 391 N GLN A 24 2.382 -9.683 -14.351 1.00 0.00 N ATOM 392 CA GLN A 24 3.559 -9.769 -13.495 1.00 0.00 C ATOM 393 C GLN A 24 4.142 -11.179 -13.512 1.00 0.00 C ATOM 394 O GLN A 24 4.210 -11.845 -12.480 1.00 0.00 O ATOM 395 CB GLN A 24 3.205 -9.368 -12.062 1.00 0.00 C ATOM 396 CG GLN A 24 2.006 -10.114 -11.500 1.00 0.00 C ATOM 397 CD GLN A 24 2.398 -11.166 -10.481 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.110 -10.879 -9.518 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.935 -12.393 -10.689 1.00 0.00 N ATOM 0 H GLN A 24 1.635 -10.334 -14.108 1.00 0.00 H new ATOM 0 HA GLN A 24 4.310 -9.080 -13.882 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.067 -9.547 -11.420 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.003 -8.297 -12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.324 -9.401 -11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.463 -10.589 -12.317 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.348 -12.586 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.166 -13.143 -10.037 1.00 0.00 H new ATOM 408 N MET A 25 4.561 -11.627 -14.691 1.00 0.00 N ATOM 409 CA MET A 25 5.138 -12.957 -14.842 1.00 0.00 C ATOM 410 C MET A 25 6.618 -12.952 -14.473 1.00 0.00 C ATOM 411 O MET A 25 7.292 -13.978 -14.559 1.00 0.00 O ATOM 412 CB MET A 25 4.959 -13.455 -16.277 1.00 0.00 C ATOM 413 CG MET A 25 3.530 -13.851 -16.609 1.00 0.00 C ATOM 414 SD MET A 25 3.388 -15.573 -17.125 1.00 0.00 S ATOM 415 CE MET A 25 1.651 -15.878 -16.812 1.00 0.00 C ATOM 0 H MET A 25 4.512 -11.088 -15.556 1.00 0.00 H new ATOM 0 HA MET A 25 4.615 -13.632 -14.164 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.280 -12.674 -16.966 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.612 -14.313 -16.439 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.899 -13.684 -15.736 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.153 -13.206 -17.403 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.408 -16.905 -17.082 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.439 -15.721 -15.754 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.048 -15.193 -17.408 1.00 0.00 H new ATOM 425 N ASN A 26 7.118 -11.791 -14.064 1.00 0.00 N ATOM 426 CA ASN A 26 8.519 -11.653 -13.683 1.00 0.00 C ATOM 427 C ASN A 26 9.432 -11.842 -14.891 1.00 0.00 C ATOM 428 O ASN A 26 10.642 -12.011 -14.747 1.00 0.00 O ATOM 429 CB ASN A 26 8.876 -12.668 -12.596 1.00 0.00 C ATOM 430 CG ASN A 26 7.743 -12.883 -11.611 1.00 0.00 C ATOM 431 OD1 ASN A 26 6.917 -13.779 -11.783 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.700 -12.058 -10.571 1.00 0.00 N ATOM 0 H ASN A 26 6.574 -10.932 -13.988 1.00 0.00 H new ATOM 0 HA ASN A 26 8.666 -10.646 -13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.134 -13.619 -13.062 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.760 -12.325 -12.059 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.961 -12.153 -9.875 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.406 -11.329 -10.469 1.00 0.00 H new ATOM 439 N SER A 27 8.842 -11.813 -16.082 1.00 0.00 N ATOM 440 CA SER A 27 9.601 -11.984 -17.315 1.00 0.00 C ATOM 441 C SER A 27 9.460 -10.760 -18.214 1.00 0.00 C ATOM 442 O SER A 27 10.366 -9.932 -18.300 1.00 0.00 O ATOM 443 CB SER A 27 9.129 -13.235 -18.060 1.00 0.00 C ATOM 444 OG SER A 27 9.742 -14.401 -17.537 1.00 0.00 O ATOM 0 H SER A 27 7.841 -11.673 -16.219 1.00 0.00 H new ATOM 0 HA SER A 27 10.652 -12.101 -17.052 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.045 -13.323 -17.980 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.364 -13.141 -19.120 1.00 0.00 H new ATOM 0 HG SER A 27 9.423 -15.187 -18.028 1.00 0.00 H new ATOM 450 N ASN A 28 8.317 -10.653 -18.883 1.00 0.00 N ATOM 451 CA ASN A 28 8.056 -9.530 -19.777 1.00 0.00 C ATOM 452 C ASN A 28 6.603 -9.077 -19.672 1.00 0.00 C ATOM 453 O ASN A 28 5.735 -9.836 -19.240 1.00 0.00 O ATOM 454 CB ASN A 28 8.378 -9.916 -21.222 1.00 0.00 C ATOM 455 CG ASN A 28 9.082 -11.256 -21.319 1.00 0.00 C ATOM 456 OD1 ASN A 28 8.482 -12.258 -21.708 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.362 -11.279 -20.964 1.00 0.00 N ATOM 0 H ASN A 28 7.556 -11.330 -18.823 1.00 0.00 H new ATOM 0 HA ASN A 28 8.699 -8.702 -19.477 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.455 -9.951 -21.800 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.006 -9.146 -21.670 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.888 -12.152 -21.008 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.819 -10.424 -20.648 1.00 0.00 H new ATOM 464 N PHE A 29 6.345 -7.836 -20.071 1.00 0.00 N ATOM 465 CA PHE A 29 4.998 -7.281 -20.022 1.00 0.00 C ATOM 466 C PHE A 29 4.226 -7.612 -21.297 1.00 0.00 C ATOM 467 O PHE A 29 3.081 -8.061 -21.245 1.00 0.00 O ATOM 468 CB PHE A 29 5.054 -5.765 -19.825 1.00 0.00 C ATOM 469 CG PHE A 29 4.697 -5.327 -18.434 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.500 -5.669 -17.358 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.557 -4.574 -18.202 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.173 -5.268 -16.076 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.225 -4.170 -16.922 1.00 0.00 C ATOM 474 CZ PHE A 29 4.035 -4.517 -15.858 1.00 0.00 C ATOM 0 H PHE A 29 7.052 -7.195 -20.432 1.00 0.00 H new ATOM 0 HA PHE A 29 4.478 -7.731 -19.176 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.058 -5.413 -20.062 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.375 -5.290 -20.532 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.392 -6.256 -17.523 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.921 -4.300 -19.030 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.807 -5.542 -15.246 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.334 -3.584 -16.754 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.779 -4.201 -14.857 1.00 0.00 H new ATOM 484 N THR A 30 4.863 -7.385 -22.442 1.00 0.00 N ATOM 485 CA THR A 30 4.238 -7.656 -23.730 1.00 0.00 C ATOM 486 C THR A 30 4.992 -8.742 -24.490 1.00 0.00 C ATOM 487 O THR A 30 4.602 -9.129 -25.591 1.00 0.00 O ATOM 488 CB THR A 30 4.172 -6.387 -24.601 1.00 0.00 C ATOM 489 OG1 THR A 30 3.740 -6.723 -25.924 1.00 0.00 O ATOM 490 CG2 THR A 30 5.530 -5.704 -24.664 1.00 0.00 C ATOM 0 H THR A 30 5.811 -7.014 -22.503 1.00 0.00 H new ATOM 0 HA THR A 30 3.224 -7.999 -23.523 1.00 0.00 H new ATOM 0 HB THR A 30 3.457 -5.699 -24.150 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.666 -7.697 -26.006 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.459 -4.811 -25.284 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.843 -5.424 -23.658 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.262 -6.388 -25.095 1.00 0.00 H new ATOM 498 N LYS A 31 6.075 -9.230 -23.894 1.00 0.00 N ATOM 499 CA LYS A 31 6.884 -10.273 -24.513 1.00 0.00 C ATOM 500 C LYS A 31 6.642 -11.621 -23.840 1.00 0.00 C ATOM 501 O LYS A 31 7.086 -12.659 -24.331 1.00 0.00 O ATOM 502 CB LYS A 31 8.368 -9.911 -24.433 1.00 0.00 C ATOM 503 CG LYS A 31 8.621 -8.448 -24.112 1.00 0.00 C ATOM 504 CD LYS A 31 10.107 -8.147 -24.014 1.00 0.00 C ATOM 505 CE LYS A 31 10.601 -7.381 -25.231 1.00 0.00 C ATOM 506 NZ LYS A 31 11.984 -6.864 -25.037 1.00 0.00 N ATOM 0 H LYS A 31 6.413 -8.920 -22.983 1.00 0.00 H new ATOM 0 HA LYS A 31 6.591 -10.351 -25.560 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.843 -10.529 -23.671 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.844 -10.153 -25.383 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.172 -7.823 -24.884 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.134 -8.192 -23.171 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.303 -7.566 -23.113 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.663 -9.080 -23.919 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.576 -8.032 -26.105 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.927 -6.549 -25.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.284 -6.348 -25.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.003 -6.223 -24.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.632 -7.660 -24.868 1.00 0.00 H new ATOM 520 N ASP A 32 5.935 -11.597 -22.716 1.00 0.00 N ATOM 521 CA ASP A 32 5.632 -12.817 -21.977 1.00 0.00 C ATOM 522 C ASP A 32 4.184 -13.242 -22.200 1.00 0.00 C ATOM 523 O ASP A 32 3.917 -14.296 -22.778 1.00 0.00 O ATOM 524 CB ASP A 32 5.893 -12.613 -20.484 1.00 0.00 C ATOM 525 CG ASP A 32 6.480 -13.846 -19.825 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.563 -14.290 -20.258 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.856 -14.366 -18.876 1.00 0.00 O ATOM 0 H ASP A 32 5.561 -10.746 -22.296 1.00 0.00 H new ATOM 0 HA ASP A 32 6.285 -13.608 -22.347 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.574 -11.773 -20.349 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.959 -12.349 -19.988 1.00 0.00 H new ATOM 532 N LEU A 33 3.253 -12.415 -21.737 1.00 0.00 N ATOM 533 CA LEU A 33 1.831 -12.705 -21.884 1.00 0.00 C ATOM 534 C LEU A 33 1.363 -12.429 -23.310 1.00 0.00 C ATOM 535 O LEU A 33 0.469 -13.101 -23.822 1.00 0.00 O ATOM 536 CB LEU A 33 1.014 -11.869 -20.897 1.00 0.00 C ATOM 537 CG LEU A 33 1.335 -10.374 -20.857 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.120 -9.556 -21.265 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.814 -9.968 -19.471 1.00 0.00 C ATOM 0 H LEU A 33 3.457 -11.539 -21.257 1.00 0.00 H new ATOM 0 HA LEU A 33 1.678 -13.762 -21.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.042 -11.987 -21.139 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.160 -12.278 -19.897 1.00 0.00 H new ATOM 0 HG LEU A 33 2.136 -10.175 -21.569 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.367 -8.495 -21.231 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.177 -9.827 -22.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.702 -9.759 -20.579 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.038 -8.901 -19.461 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.035 -10.182 -18.740 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.713 -10.530 -19.218 1.00 0.00 H new ATOM 551 N GLY A 34 1.977 -11.436 -23.946 1.00 0.00 N ATOM 552 CA GLY A 34 1.612 -11.089 -25.307 1.00 0.00 C ATOM 553 C GLY A 34 0.240 -10.451 -25.395 1.00 0.00 C ATOM 554 O GLY A 34 -0.655 -10.976 -26.058 1.00 0.00 O ATOM 0 H GLY A 34 2.721 -10.866 -23.543 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.355 -10.404 -25.715 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.632 -11.986 -25.925 1.00 0.00 H new ATOM 558 N ALA A 35 0.072 -9.317 -24.723 1.00 0.00 N ATOM 559 CA ALA A 35 -1.201 -8.607 -24.729 1.00 0.00 C ATOM 560 C ALA A 35 -1.348 -7.753 -25.984 1.00 0.00 C ATOM 561 O ALA A 35 -2.081 -8.109 -26.906 1.00 0.00 O ATOM 562 CB ALA A 35 -1.329 -7.744 -23.483 1.00 0.00 C ATOM 0 H ALA A 35 0.802 -8.870 -24.167 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.002 -9.347 -24.729 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.284 -7.219 -23.500 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.278 -8.376 -22.596 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.517 -7.018 -23.458 1.00 0.00 H new ATOM 568 N ASP A 36 -0.647 -6.625 -26.011 1.00 0.00 N ATOM 569 CA ASP A 36 -0.699 -5.720 -27.154 1.00 0.00 C ATOM 570 C ASP A 36 0.225 -4.525 -26.943 1.00 0.00 C ATOM 571 O ASP A 36 0.223 -3.861 -25.908 1.00 0.00 O ATOM 572 CB ASP A 36 -2.132 -5.238 -27.384 1.00 0.00 C ATOM 573 CG ASP A 36 -2.661 -5.628 -28.751 1.00 0.00 C ATOM 574 OD1 ASP A 36 -3.069 -6.797 -28.918 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.668 -4.764 -29.652 1.00 0.00 O ATOM 0 H ASP A 36 -0.036 -6.315 -25.255 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.361 -6.266 -28.035 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.781 -5.655 -26.614 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.169 -4.154 -27.279 1.00 0.00 H new ATOM 580 N SER A 37 1.055 -4.230 -27.959 1.00 0.00 N ATOM 581 CA SER A 37 2.044 -3.129 -27.987 1.00 0.00 C ATOM 582 C SER A 37 1.424 -1.764 -27.641 1.00 0.00 C ATOM 583 O SER A 37 2.012 -0.947 -26.931 1.00 0.00 O ATOM 584 CB SER A 37 2.676 -3.129 -29.388 1.00 0.00 C ATOM 585 OG SER A 37 1.715 -2.781 -30.386 1.00 0.00 O ATOM 0 H SER A 37 1.058 -4.774 -28.822 1.00 0.00 H new ATOM 0 HA SER A 37 2.801 -3.294 -27.221 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.506 -2.423 -29.416 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.089 -4.114 -29.604 1.00 0.00 H new ATOM 590 N LEU A 38 0.223 -1.538 -28.161 1.00 0.00 N ATOM 591 CA LEU A 38 -0.491 -0.288 -27.923 1.00 0.00 C ATOM 592 C LEU A 38 -0.961 -0.197 -26.474 1.00 0.00 C ATOM 593 O LEU A 38 -0.812 0.839 -25.827 1.00 0.00 O ATOM 594 CB LEU A 38 -1.688 -0.173 -28.868 1.00 0.00 C ATOM 595 CG LEU A 38 -1.459 -0.650 -30.302 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.973 -2.070 -30.481 1.00 0.00 C ATOM 597 CD2 LEU A 38 -2.130 0.291 -31.291 1.00 0.00 C ATOM 0 H LEU A 38 -0.277 -2.204 -28.750 1.00 0.00 H new ATOM 0 HA LEU A 38 0.196 0.536 -28.115 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.516 -0.742 -28.445 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.002 0.870 -28.899 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.387 -0.646 -30.499 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.801 -2.392 -31.508 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.446 -2.737 -29.799 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.041 -2.100 -30.265 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.956 -0.064 -32.307 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.202 0.321 -31.095 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.713 1.292 -31.181 1.00 0.00 H new ATOM 609 N ASP A 39 -1.527 -1.289 -25.972 1.00 0.00 N ATOM 610 CA ASP A 39 -2.017 -1.335 -24.599 1.00 0.00 C ATOM 611 C ASP A 39 -0.864 -1.217 -23.607 1.00 0.00 C ATOM 612 O ASP A 39 -0.909 -0.408 -22.679 1.00 0.00 O ATOM 613 CB ASP A 39 -2.788 -2.632 -24.353 1.00 0.00 C ATOM 614 CG ASP A 39 -4.095 -2.684 -25.119 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.141 -2.156 -26.250 1.00 0.00 O ATOM 616 OD2 ASP A 39 -5.071 -3.253 -24.588 1.00 0.00 O ATOM 0 H ASP A 39 -1.658 -2.155 -26.495 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.689 -0.489 -24.450 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.167 -3.480 -24.642 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.991 -2.734 -23.287 1.00 0.00 H new ATOM 621 N LEU A 40 0.168 -2.029 -23.809 1.00 0.00 N ATOM 622 CA LEU A 40 1.334 -2.017 -22.931 1.00 0.00 C ATOM 623 C LEU A 40 1.906 -0.609 -22.805 1.00 0.00 C ATOM 624 O LEU A 40 2.164 -0.129 -21.702 1.00 0.00 O ATOM 625 CB LEU A 40 2.406 -2.971 -23.462 1.00 0.00 C ATOM 626 CG LEU A 40 3.131 -3.816 -22.414 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.619 -2.943 -21.269 1.00 0.00 C ATOM 628 CD2 LEU A 40 2.219 -4.919 -21.895 1.00 0.00 C ATOM 0 H LEU A 40 0.222 -2.704 -24.572 1.00 0.00 H new ATOM 0 HA LEU A 40 1.018 -2.350 -21.942 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.941 -3.643 -24.183 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.148 -2.386 -24.005 1.00 0.00 H new ATOM 0 HG LEU A 40 3.998 -4.280 -22.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.132 -3.562 -20.533 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.307 -2.190 -21.653 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.768 -2.451 -20.799 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.751 -5.511 -21.150 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.333 -4.475 -21.441 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.919 -5.562 -22.722 1.00 0.00 H new ATOM 640 N VAL A 41 2.102 0.048 -23.944 1.00 0.00 N ATOM 641 CA VAL A 41 2.641 1.403 -23.961 1.00 0.00 C ATOM 642 C VAL A 41 1.638 2.401 -23.394 1.00 0.00 C ATOM 643 O VAL A 41 2.015 3.470 -22.915 1.00 0.00 O ATOM 644 CB VAL A 41 3.027 1.835 -25.389 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.561 3.260 -25.389 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.048 0.874 -25.978 1.00 0.00 C ATOM 0 H VAL A 41 1.896 -0.336 -24.866 1.00 0.00 H new ATOM 0 HA VAL A 41 3.534 1.396 -23.337 1.00 0.00 H new ATOM 0 HB VAL A 41 2.134 1.807 -26.013 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.829 3.548 -26.406 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.794 3.936 -25.010 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.443 3.318 -24.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.309 1.194 -26.987 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.943 0.868 -25.356 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.624 -0.130 -26.014 1.00 0.00 H new ATOM 656 N GLU A 42 0.359 2.044 -23.451 1.00 0.00 N ATOM 657 CA GLU A 42 -0.699 2.909 -22.942 1.00 0.00 C ATOM 658 C GLU A 42 -0.721 2.902 -21.416 1.00 0.00 C ATOM 659 O GLU A 42 -0.499 3.931 -20.776 1.00 0.00 O ATOM 660 CB GLU A 42 -2.059 2.462 -23.484 1.00 0.00 C ATOM 661 CG GLU A 42 -2.451 3.147 -24.782 1.00 0.00 C ATOM 662 CD GLU A 42 -3.584 2.438 -25.497 1.00 0.00 C ATOM 663 OE1 GLU A 42 -4.758 2.738 -25.193 1.00 0.00 O ATOM 664 OE2 GLU A 42 -3.298 1.582 -26.360 1.00 0.00 O ATOM 0 H GLU A 42 0.030 1.162 -23.844 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.496 3.925 -23.281 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.041 1.384 -23.643 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.823 2.661 -22.733 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.746 4.175 -24.571 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.584 3.193 -25.440 1.00 0.00 H new ATOM 671 N LEU A 43 -0.990 1.736 -20.839 1.00 0.00 N ATOM 672 CA LEU A 43 -1.041 1.594 -19.388 1.00 0.00 C ATOM 673 C LEU A 43 0.210 2.177 -18.740 1.00 0.00 C ATOM 674 O LEU A 43 0.136 2.824 -17.695 1.00 0.00 O ATOM 675 CB LEU A 43 -1.190 0.121 -19.005 1.00 0.00 C ATOM 676 CG LEU A 43 -0.106 -0.821 -19.530 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.909 -1.128 -18.439 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.726 -2.106 -20.060 1.00 0.00 C ATOM 0 H LEU A 43 -1.176 0.875 -21.354 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.907 2.146 -19.023 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.210 0.049 -17.918 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.156 -0.232 -19.366 1.00 0.00 H new ATOM 0 HG LEU A 43 0.412 -0.325 -20.351 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.673 -1.800 -18.831 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.377 -0.201 -18.106 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.406 -1.603 -17.597 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.061 -2.764 -20.429 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.270 -2.605 -19.258 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.413 -1.870 -20.873 1.00 0.00 H new ATOM 690 N ILE A 44 1.358 1.944 -19.367 1.00 0.00 N ATOM 691 CA ILE A 44 2.625 2.449 -18.852 1.00 0.00 C ATOM 692 C ILE A 44 2.655 3.974 -18.863 1.00 0.00 C ATOM 693 O ILE A 44 3.033 4.604 -17.877 1.00 0.00 O ATOM 694 CB ILE A 44 3.817 1.918 -19.671 1.00 0.00 C ATOM 695 CG1 ILE A 44 4.021 0.425 -19.405 1.00 0.00 C ATOM 696 CG2 ILE A 44 5.079 2.698 -19.336 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.121 -0.193 -20.240 1.00 0.00 C ATOM 0 H ILE A 44 1.437 1.409 -20.232 1.00 0.00 H new ATOM 0 HA ILE A 44 2.712 2.094 -17.825 1.00 0.00 H new ATOM 0 HB ILE A 44 3.600 2.053 -20.731 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.252 0.281 -18.350 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.087 -0.102 -19.602 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.912 2.311 -19.923 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.928 3.752 -19.571 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.302 2.591 -18.274 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.209 -1.252 -19.999 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.882 -0.080 -21.297 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.065 0.308 -20.026 1.00 0.00 H new ATOM 709 N MET A 45 2.252 4.560 -19.986 1.00 0.00 N ATOM 710 CA MET A 45 2.229 6.011 -20.125 1.00 0.00 C ATOM 711 C MET A 45 1.445 6.654 -18.985 1.00 0.00 C ATOM 712 O MET A 45 1.711 7.793 -18.601 1.00 0.00 O ATOM 713 CB MET A 45 1.615 6.407 -21.468 1.00 0.00 C ATOM 714 CG MET A 45 0.123 6.688 -21.395 1.00 0.00 C ATOM 715 SD MET A 45 -0.243 8.433 -21.124 1.00 0.00 S ATOM 716 CE MET A 45 -1.582 8.683 -22.286 1.00 0.00 C ATOM 0 H MET A 45 1.937 4.052 -20.813 1.00 0.00 H new ATOM 0 HA MET A 45 3.257 6.371 -20.084 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.125 7.294 -21.844 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.791 5.608 -22.188 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.350 6.361 -22.321 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.315 6.100 -20.589 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.918 9.719 -22.236 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.234 8.463 -23.295 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.410 8.020 -22.035 1.00 0.00 H new ATOM 726 N ALA A 46 0.479 5.917 -18.448 1.00 0.00 N ATOM 727 CA ALA A 46 -0.342 6.414 -17.351 1.00 0.00 C ATOM 728 C ALA A 46 0.386 6.284 -16.017 1.00 0.00 C ATOM 729 O ALA A 46 0.282 7.156 -15.154 1.00 0.00 O ATOM 730 CB ALA A 46 -1.668 5.671 -17.304 1.00 0.00 C ATOM 0 H ALA A 46 0.245 4.973 -18.755 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.537 7.472 -17.528 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.270 6.053 -16.480 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.202 5.820 -18.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.484 4.607 -17.156 1.00 0.00 H new ATOM 736 N LEU A 47 1.123 5.191 -15.855 1.00 0.00 N ATOM 737 CA LEU A 47 1.869 4.946 -14.626 1.00 0.00 C ATOM 738 C LEU A 47 2.847 6.083 -14.347 1.00 0.00 C ATOM 739 O LEU A 47 2.965 6.548 -13.213 1.00 0.00 O ATOM 740 CB LEU A 47 2.625 3.620 -14.720 1.00 0.00 C ATOM 741 CG LEU A 47 2.812 2.859 -13.407 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.696 1.640 -13.617 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.404 3.771 -12.342 1.00 0.00 C ATOM 0 H LEU A 47 1.220 4.460 -16.560 1.00 0.00 H new ATOM 0 HA LEU A 47 1.157 4.893 -13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.097 2.973 -15.420 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.609 3.815 -15.147 1.00 0.00 H new ATOM 0 HG LEU A 47 1.835 2.519 -13.065 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.817 1.111 -12.672 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.233 0.976 -14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.672 1.957 -13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.530 3.213 -11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.373 4.141 -12.678 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.734 4.613 -12.170 1.00 0.00 H new ATOM 755 N GLU A 48 3.544 6.527 -15.388 1.00 0.00 N ATOM 756 CA GLU A 48 4.510 7.611 -15.254 1.00 0.00 C ATOM 757 C GLU A 48 3.805 8.961 -15.166 1.00 0.00 C ATOM 758 O GLU A 48 4.166 9.809 -14.351 1.00 0.00 O ATOM 759 CB GLU A 48 5.481 7.607 -16.437 1.00 0.00 C ATOM 760 CG GLU A 48 4.796 7.728 -17.787 1.00 0.00 C ATOM 761 CD GLU A 48 4.755 9.156 -18.295 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.757 9.879 -18.113 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.721 9.551 -18.873 1.00 0.00 O ATOM 0 H GLU A 48 3.458 6.153 -16.333 1.00 0.00 H new ATOM 0 HA GLU A 48 5.070 7.452 -14.332 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.185 8.431 -16.321 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.063 6.685 -16.416 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.318 7.103 -18.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.779 7.345 -17.710 1.00 0.00 H new ATOM 770 N GLU A 49 2.797 9.152 -16.011 1.00 0.00 N ATOM 771 CA GLU A 49 2.042 10.399 -16.029 1.00 0.00 C ATOM 772 C GLU A 49 1.463 10.705 -14.651 1.00 0.00 C ATOM 773 O GLU A 49 1.220 11.863 -14.309 1.00 0.00 O ATOM 774 CB GLU A 49 0.915 10.324 -17.063 1.00 0.00 C ATOM 775 CG GLU A 49 0.226 11.656 -17.309 1.00 0.00 C ATOM 776 CD GLU A 49 0.645 12.297 -18.617 1.00 0.00 C ATOM 777 OE1 GLU A 49 1.748 12.881 -18.666 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.130 12.213 -19.593 1.00 0.00 O ATOM 0 H GLU A 49 2.485 8.460 -16.692 1.00 0.00 H new ATOM 0 HA GLU A 49 2.725 11.203 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.321 9.955 -18.005 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.174 9.597 -16.729 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.854 11.507 -17.311 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.452 12.335 -16.487 1.00 0.00 H new ATOM 785 N LYS A 50 1.242 9.658 -13.863 1.00 0.00 N ATOM 786 CA LYS A 50 0.692 9.812 -12.521 1.00 0.00 C ATOM 787 C LYS A 50 1.807 9.924 -11.486 1.00 0.00 C ATOM 788 O LYS A 50 1.698 10.681 -10.521 1.00 0.00 O ATOM 789 CB LYS A 50 -0.217 8.629 -12.182 1.00 0.00 C ATOM 790 CG LYS A 50 -0.730 8.647 -10.752 1.00 0.00 C ATOM 791 CD LYS A 50 -1.886 7.679 -10.562 1.00 0.00 C ATOM 792 CE LYS A 50 -2.511 7.821 -9.183 1.00 0.00 C ATOM 793 NZ LYS A 50 -1.657 7.219 -8.122 1.00 0.00 N ATOM 0 H LYS A 50 1.435 8.693 -14.131 1.00 0.00 H new ATOM 0 HA LYS A 50 0.106 10.731 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.067 8.627 -12.864 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.329 7.701 -12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.080 8.386 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.052 9.655 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.642 7.860 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.532 6.657 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.672 8.877 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.490 7.341 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.118 7.336 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.524 6.206 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.732 7.694 -8.110 1.00 0.00 H new ATOM 807 N PHE A 51 2.879 9.166 -11.694 1.00 0.00 N ATOM 808 CA PHE A 51 4.014 9.181 -10.778 1.00 0.00 C ATOM 809 C PHE A 51 4.822 10.467 -10.934 1.00 0.00 C ATOM 810 O PHE A 51 5.656 10.794 -10.092 1.00 0.00 O ATOM 811 CB PHE A 51 4.913 7.968 -11.027 1.00 0.00 C ATOM 812 CG PHE A 51 4.807 6.915 -9.961 1.00 0.00 C ATOM 813 CD1 PHE A 51 3.570 6.535 -9.465 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.944 6.306 -9.455 1.00 0.00 C ATOM 815 CE1 PHE A 51 3.470 5.567 -8.484 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.850 5.337 -8.473 1.00 0.00 C ATOM 817 CZ PHE A 51 4.611 4.967 -7.988 1.00 0.00 C ATOM 0 H PHE A 51 2.985 8.534 -12.488 1.00 0.00 H new ATOM 0 HA PHE A 51 3.628 9.136 -9.760 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.656 7.526 -11.990 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.949 8.301 -11.096 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.674 7.000 -9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.915 6.591 -9.832 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.500 5.280 -8.105 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.744 4.870 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.534 4.210 -7.222 1.00 0.00 H new ATOM 827 N ASN A 52 4.567 11.191 -12.019 1.00 0.00 N ATOM 828 CA ASN A 52 5.270 12.440 -12.287 1.00 0.00 C ATOM 829 C ASN A 52 6.754 12.186 -12.535 1.00 0.00 C ATOM 830 O ASN A 52 7.612 12.727 -11.837 1.00 0.00 O ATOM 831 CB ASN A 52 5.096 13.409 -11.116 1.00 0.00 C ATOM 832 CG ASN A 52 5.511 14.824 -11.470 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.141 15.347 -12.521 1.00 0.00 O ATOM 834 ND2 ASN A 52 6.284 15.451 -10.591 1.00 0.00 N ATOM 0 H ASN A 52 3.879 10.934 -12.727 1.00 0.00 H new ATOM 0 HA ASN A 52 4.840 12.885 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.053 13.408 -10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.687 13.061 -10.269 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.595 16.405 -10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.567 14.979 -9.732 1.00 0.00 H new ATOM 841 N VAL A 53 7.049 11.360 -13.534 1.00 0.00 N ATOM 842 CA VAL A 53 8.429 11.036 -13.875 1.00 0.00 C ATOM 843 C VAL A 53 8.728 11.372 -15.332 1.00 0.00 C ATOM 844 O VAL A 53 7.883 11.920 -16.041 1.00 0.00 O ATOM 845 CB VAL A 53 8.732 9.546 -13.631 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.546 9.368 -12.358 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.441 8.744 -13.565 1.00 0.00 C ATOM 0 H VAL A 53 6.351 10.903 -14.121 1.00 0.00 H new ATOM 0 HA VAL A 53 9.065 11.639 -13.228 1.00 0.00 H new ATOM 0 HB VAL A 53 9.323 9.171 -14.467 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.750 8.309 -12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.487 9.910 -12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.984 9.758 -11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.674 7.693 -13.392 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.822 9.117 -12.749 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.901 8.846 -14.506 1.00 0.00 H new ATOM 857 N THR A 54 9.937 11.040 -15.774 1.00 0.00 N ATOM 858 CA THR A 54 10.349 11.307 -17.147 1.00 0.00 C ATOM 859 C THR A 54 11.029 10.090 -17.763 1.00 0.00 C ATOM 860 O THR A 54 12.245 10.079 -17.958 1.00 0.00 O ATOM 861 CB THR A 54 11.308 12.510 -17.222 1.00 0.00 C ATOM 862 OG1 THR A 54 11.796 12.665 -18.559 1.00 0.00 O ATOM 863 CG2 THR A 54 12.478 12.329 -16.267 1.00 0.00 C ATOM 0 H THR A 54 10.648 10.586 -15.201 1.00 0.00 H new ATOM 0 HA THR A 54 9.444 11.538 -17.709 1.00 0.00 H new ATOM 0 HB THR A 54 10.757 13.405 -16.931 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.371 11.905 -18.787 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.142 13.191 -16.337 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.105 12.241 -15.247 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.027 11.425 -16.532 1.00 0.00 H new ATOM 871 N ILE A 55 10.238 9.067 -18.068 1.00 0.00 N ATOM 872 CA ILE A 55 10.765 7.845 -18.664 1.00 0.00 C ATOM 873 C ILE A 55 10.228 7.648 -20.078 1.00 0.00 C ATOM 874 O ILE A 55 10.980 7.702 -21.052 1.00 0.00 O ATOM 875 CB ILE A 55 10.414 6.608 -17.817 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.080 7.024 -16.383 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.564 5.613 -17.832 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.626 7.387 -16.182 1.00 0.00 C ATOM 0 H ILE A 55 9.230 9.060 -17.912 1.00 0.00 H new ATOM 0 HA ILE A 55 11.849 7.954 -18.701 1.00 0.00 H new ATOM 0 HB ILE A 55 9.537 6.126 -18.249 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.339 6.209 -15.707 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.700 7.877 -16.107 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.301 4.744 -17.229 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.759 5.298 -18.857 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.457 6.083 -17.421 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.462 7.672 -15.143 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.366 8.222 -16.832 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.000 6.529 -16.426 1.00 0.00 H new ATOM 890 N SER A 56 8.923 7.421 -20.183 1.00 0.00 N ATOM 891 CA SER A 56 8.285 7.214 -21.478 1.00 0.00 C ATOM 892 C SER A 56 8.904 6.024 -22.205 1.00 0.00 C ATOM 893 O SER A 56 8.471 4.884 -22.034 1.00 0.00 O ATOM 894 CB SER A 56 8.409 8.472 -22.339 1.00 0.00 C ATOM 895 OG SER A 56 8.045 8.209 -23.683 1.00 0.00 O ATOM 0 H SER A 56 8.287 7.376 -19.387 1.00 0.00 H new ATOM 0 HA SER A 56 7.230 7.003 -21.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.772 9.258 -21.934 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.434 8.842 -22.302 1.00 0.00 H new ATOM 0 HG SER A 56 8.131 9.030 -24.212 1.00 0.00 H new ATOM 901 N ASP A 57 9.921 6.297 -23.015 1.00 0.00 N ATOM 902 CA ASP A 57 10.602 5.250 -23.767 1.00 0.00 C ATOM 903 C ASP A 57 11.280 4.258 -22.827 1.00 0.00 C ATOM 904 O ASP A 57 10.912 3.085 -22.779 1.00 0.00 O ATOM 905 CB ASP A 57 11.636 5.863 -24.713 1.00 0.00 C ATOM 906 CG ASP A 57 11.283 5.651 -26.172 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.093 5.795 -26.522 1.00 0.00 O ATOM 908 OD2 ASP A 57 12.197 5.343 -26.965 1.00 0.00 O ATOM 0 H ASP A 57 10.292 7.235 -23.168 1.00 0.00 H new ATOM 0 HA ASP A 57 9.856 4.715 -24.354 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.718 6.931 -24.514 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.614 5.425 -24.511 1.00 0.00 H new ATOM 913 N GLN A 58 12.271 4.738 -22.083 1.00 0.00 N ATOM 914 CA GLN A 58 13.000 3.892 -21.145 1.00 0.00 C ATOM 915 C GLN A 58 12.039 3.104 -20.262 1.00 0.00 C ATOM 916 O GLN A 58 12.360 2.008 -19.803 1.00 0.00 O ATOM 917 CB GLN A 58 13.930 4.742 -20.276 1.00 0.00 C ATOM 918 CG GLN A 58 15.293 4.986 -20.903 1.00 0.00 C ATOM 919 CD GLN A 58 15.201 5.388 -22.362 1.00 0.00 C ATOM 920 OE1 GLN A 58 14.717 6.472 -22.690 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.667 4.515 -23.247 1.00 0.00 N ATOM 0 H GLN A 58 12.587 5.707 -22.111 1.00 0.00 H new ATOM 0 HA GLN A 58 13.597 3.185 -21.721 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.453 5.702 -20.079 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.065 4.249 -19.313 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.810 5.768 -20.347 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.896 4.082 -20.817 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.060 3.628 -22.931 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.632 4.731 -24.243 1.00 0.00 H new ATOM 930 N ASP A 59 10.859 3.668 -20.029 1.00 0.00 N ATOM 931 CA ASP A 59 9.851 3.017 -19.201 1.00 0.00 C ATOM 932 C ASP A 59 9.498 1.641 -19.755 1.00 0.00 C ATOM 933 O ASP A 59 9.749 0.620 -19.115 1.00 0.00 O ATOM 934 CB ASP A 59 8.593 3.884 -19.116 1.00 0.00 C ATOM 935 CG ASP A 59 8.158 4.134 -17.685 1.00 0.00 C ATOM 936 OD1 ASP A 59 9.039 4.253 -16.808 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.935 4.210 -17.443 1.00 0.00 O ATOM 0 H ASP A 59 10.577 4.575 -20.402 1.00 0.00 H new ATOM 0 HA ASP A 59 10.265 2.891 -18.201 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.779 4.839 -19.608 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.783 3.398 -19.659 1.00 0.00 H new ATOM 942 N ALA A 60 8.915 1.621 -20.949 1.00 0.00 N ATOM 943 CA ALA A 60 8.529 0.370 -21.590 1.00 0.00 C ATOM 944 C ALA A 60 9.689 -0.619 -21.607 1.00 0.00 C ATOM 945 O ALA A 60 9.484 -1.833 -21.582 1.00 0.00 O ATOM 946 CB ALA A 60 8.035 0.633 -23.005 1.00 0.00 C ATOM 0 H ALA A 60 8.700 2.457 -21.492 1.00 0.00 H new ATOM 0 HA ALA A 60 7.719 -0.072 -21.010 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.750 -0.310 -23.472 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.171 1.297 -22.971 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.829 1.101 -23.587 1.00 0.00 H new ATOM 952 N LEU A 61 10.908 -0.093 -21.650 1.00 0.00 N ATOM 953 CA LEU A 61 12.103 -0.930 -21.671 1.00 0.00 C ATOM 954 C LEU A 61 12.659 -1.120 -20.264 1.00 0.00 C ATOM 955 O LEU A 61 13.874 -1.158 -20.065 1.00 0.00 O ATOM 956 CB LEU A 61 13.169 -0.308 -22.574 1.00 0.00 C ATOM 957 CG LEU A 61 12.813 -0.200 -24.058 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.507 0.999 -24.687 1.00 0.00 C ATOM 959 CD2 LEU A 61 13.186 -1.480 -24.790 1.00 0.00 C ATOM 0 H LEU A 61 11.095 0.909 -21.671 1.00 0.00 H new ATOM 0 HA LEU A 61 11.826 -1.907 -22.067 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.394 0.691 -22.201 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.082 -0.896 -22.482 1.00 0.00 H new ATOM 0 HG LEU A 61 11.736 -0.057 -24.145 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.242 1.060 -25.743 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.190 1.910 -24.180 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.587 0.887 -24.590 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.926 -1.385 -25.844 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.258 -1.654 -24.695 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.642 -2.319 -24.356 1.00 0.00 H new ATOM 971 N LYS A 62 11.763 -1.241 -19.290 1.00 0.00 N ATOM 972 CA LYS A 62 12.163 -1.431 -17.901 1.00 0.00 C ATOM 973 C LYS A 62 11.086 -2.178 -17.122 1.00 0.00 C ATOM 974 O LYS A 62 11.335 -3.255 -16.578 1.00 0.00 O ATOM 975 CB LYS A 62 12.441 -0.079 -17.239 1.00 0.00 C ATOM 976 CG LYS A 62 13.894 0.117 -16.844 1.00 0.00 C ATOM 977 CD LYS A 62 14.033 1.121 -15.711 1.00 0.00 C ATOM 978 CE LYS A 62 14.248 2.531 -16.239 1.00 0.00 C ATOM 979 NZ LYS A 62 13.269 2.880 -17.304 1.00 0.00 N ATOM 0 H LYS A 62 10.754 -1.211 -19.437 1.00 0.00 H new ATOM 0 HA LYS A 62 13.075 -2.028 -17.890 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.148 0.718 -17.923 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.816 0.017 -16.351 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.321 -0.838 -16.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.464 0.460 -17.708 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.138 1.097 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.871 0.838 -15.074 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.161 3.243 -15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.260 2.621 -16.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.348 3.892 -17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.468 2.318 -18.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.306 2.674 -16.971 1.00 0.00 H new ATOM 993 N ILE A 63 9.890 -1.602 -17.074 1.00 0.00 N ATOM 994 CA ILE A 63 8.775 -2.216 -16.364 1.00 0.00 C ATOM 995 C ILE A 63 8.512 -3.630 -16.870 1.00 0.00 C ATOM 996 O ILE A 63 7.921 -4.451 -16.170 1.00 0.00 O ATOM 997 CB ILE A 63 7.488 -1.383 -16.509 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.649 -0.029 -15.814 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.299 -2.140 -15.936 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.179 1.057 -16.723 1.00 0.00 C ATOM 0 H ILE A 63 9.668 -0.711 -17.518 1.00 0.00 H new ATOM 0 HA ILE A 63 9.055 -2.256 -15.311 1.00 0.00 H new ATOM 0 HB ILE A 63 7.305 -1.207 -17.569 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.684 0.282 -15.414 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.324 -0.143 -14.966 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.397 -1.538 -16.046 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.175 -3.081 -16.471 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.472 -2.344 -14.879 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.268 1.988 -16.164 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.159 0.767 -17.103 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.493 1.199 -17.558 1.00 0.00 H new ATOM 1012 N ASN A 64 8.957 -3.907 -18.091 1.00 0.00 N ATOM 1013 CA ASN A 64 8.771 -5.223 -18.692 1.00 0.00 C ATOM 1014 C ASN A 64 9.063 -6.329 -17.682 1.00 0.00 C ATOM 1015 O ASN A 64 8.403 -7.368 -17.672 1.00 0.00 O ATOM 1016 CB ASN A 64 9.678 -5.382 -19.914 1.00 0.00 C ATOM 1017 CG ASN A 64 10.936 -4.542 -19.813 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.108 -3.570 -20.550 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.824 -4.914 -18.899 1.00 0.00 N ATOM 0 H ASN A 64 9.449 -3.238 -18.684 1.00 0.00 H new ATOM 0 HA ASN A 64 7.731 -5.307 -19.006 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.953 -6.431 -20.025 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.127 -5.100 -20.811 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.690 -4.388 -18.786 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.640 -5.726 -18.310 1.00 0.00 H new ATOM 1026 N THR A 65 10.058 -6.097 -16.830 1.00 0.00 N ATOM 1027 CA THR A 65 10.438 -7.072 -15.816 1.00 0.00 C ATOM 1028 C THR A 65 10.111 -6.566 -14.416 1.00 0.00 C ATOM 1029 O THR A 65 10.432 -5.431 -14.065 1.00 0.00 O ATOM 1030 CB THR A 65 11.941 -7.404 -15.891 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.714 -6.259 -15.515 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.328 -7.845 -17.295 1.00 0.00 C ATOM 0 H THR A 65 10.615 -5.242 -16.823 1.00 0.00 H new ATOM 0 HA THR A 65 9.863 -7.976 -16.016 1.00 0.00 H new ATOM 0 HB THR A 65 12.145 -8.223 -15.201 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.162 -5.892 -16.306 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.393 -8.074 -17.324 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.758 -8.734 -17.567 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.110 -7.044 -18.001 1.00 0.00 H new ATOM 1040 N VAL A 66 9.470 -7.415 -13.620 1.00 0.00 N ATOM 1041 CA VAL A 66 9.100 -7.054 -12.256 1.00 0.00 C ATOM 1042 C VAL A 66 10.291 -6.478 -11.499 1.00 0.00 C ATOM 1043 O VAL A 66 10.125 -5.669 -10.586 1.00 0.00 O ATOM 1044 CB VAL A 66 8.552 -8.269 -11.483 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.303 -7.906 -10.027 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.281 -8.787 -12.137 1.00 0.00 C ATOM 0 H VAL A 66 9.196 -8.358 -13.896 1.00 0.00 H new ATOM 0 HA VAL A 66 8.319 -6.297 -12.329 1.00 0.00 H new ATOM 0 HB VAL A 66 9.297 -9.064 -11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.916 -8.776 -9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.238 -7.586 -9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.576 -7.095 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.908 -9.645 -11.578 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.527 -8.000 -12.140 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.496 -9.088 -13.162 1.00 0.00 H new ATOM 1056 N GLN A 67 11.491 -6.900 -11.884 1.00 0.00 N ATOM 1057 CA GLN A 67 12.710 -6.425 -11.240 1.00 0.00 C ATOM 1058 C GLN A 67 12.966 -4.959 -11.573 1.00 0.00 C ATOM 1059 O GLN A 67 13.004 -4.108 -10.684 1.00 0.00 O ATOM 1060 CB GLN A 67 13.905 -7.275 -11.673 1.00 0.00 C ATOM 1061 CG GLN A 67 15.209 -6.882 -10.997 1.00 0.00 C ATOM 1062 CD GLN A 67 15.167 -7.072 -9.494 1.00 0.00 C ATOM 1063 OE1 GLN A 67 15.477 -8.150 -8.984 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.784 -6.024 -8.775 1.00 0.00 N ATOM 0 H GLN A 67 11.645 -7.569 -12.638 1.00 0.00 H new ATOM 0 HA GLN A 67 12.580 -6.516 -10.162 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.694 -8.322 -11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.026 -7.193 -12.753 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.023 -7.477 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.430 -5.839 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.536 -5.150 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.738 -6.092 -7.758 1.00 0.00 H new ATOM 1073 N ASP A 68 13.142 -4.672 -12.858 1.00 0.00 N ATOM 1074 CA ASP A 68 13.394 -3.308 -13.309 1.00 0.00 C ATOM 1075 C ASP A 68 12.224 -2.394 -12.958 1.00 0.00 C ATOM 1076 O ASP A 68 12.412 -1.215 -12.660 1.00 0.00 O ATOM 1077 CB ASP A 68 13.640 -3.284 -14.818 1.00 0.00 C ATOM 1078 CG ASP A 68 15.089 -3.554 -15.172 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.972 -3.214 -14.358 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.341 -4.105 -16.265 1.00 0.00 O ATOM 0 H ASP A 68 13.115 -5.365 -13.606 1.00 0.00 H new ATOM 0 HA ASP A 68 14.284 -2.942 -12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.007 -4.030 -15.298 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.347 -2.312 -15.216 1.00 0.00 H new ATOM 1085 N ALA A 69 11.016 -2.947 -12.995 1.00 0.00 N ATOM 1086 CA ALA A 69 9.815 -2.183 -12.680 1.00 0.00 C ATOM 1087 C ALA A 69 9.882 -1.615 -11.267 1.00 0.00 C ATOM 1088 O ALA A 69 9.931 -0.399 -11.078 1.00 0.00 O ATOM 1089 CB ALA A 69 8.578 -3.052 -12.845 1.00 0.00 C ATOM 0 H ALA A 69 10.843 -3.922 -13.240 1.00 0.00 H new ATOM 0 HA ALA A 69 9.752 -1.347 -13.377 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.689 -2.468 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.515 -3.404 -13.875 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.642 -3.907 -12.172 1.00 0.00 H new ATOM 1095 N ILE A 70 9.882 -2.502 -10.277 1.00 0.00 N ATOM 1096 CA ILE A 70 9.942 -2.088 -8.881 1.00 0.00 C ATOM 1097 C ILE A 70 11.167 -1.219 -8.618 1.00 0.00 C ATOM 1098 O ILE A 70 11.183 -0.417 -7.684 1.00 0.00 O ATOM 1099 CB ILE A 70 9.975 -3.302 -7.935 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.286 -4.073 -8.103 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.783 -4.211 -8.197 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.398 -5.280 -7.199 1.00 0.00 C ATOM 0 H ILE A 70 9.841 -3.512 -10.416 1.00 0.00 H new ATOM 0 HA ILE A 70 9.040 -1.509 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 70 9.915 -2.944 -6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.377 -4.396 -9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.121 -3.401 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.821 -5.065 -7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.859 -3.657 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.814 -4.564 -9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.352 -5.777 -7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.339 -4.962 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.584 -5.972 -7.414 1.00 0.00 H new ATOM 1114 N ASP A 71 12.192 -1.384 -9.447 1.00 0.00 N ATOM 1115 CA ASP A 71 13.421 -0.613 -9.307 1.00 0.00 C ATOM 1116 C ASP A 71 13.283 0.756 -9.965 1.00 0.00 C ATOM 1117 O ASP A 71 14.003 1.695 -9.626 1.00 0.00 O ATOM 1118 CB ASP A 71 14.598 -1.372 -9.923 1.00 0.00 C ATOM 1119 CG ASP A 71 15.821 -0.494 -10.105 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.518 -0.232 -9.103 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.080 -0.069 -11.251 1.00 0.00 O ATOM 0 H ASP A 71 12.196 -2.045 -10.223 1.00 0.00 H new ATOM 0 HA ASP A 71 13.609 -0.467 -8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.854 -2.219 -9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.299 -1.778 -10.889 1.00 0.00 H new ATOM 1126 N TYR A 72 12.353 0.862 -10.908 1.00 0.00 N ATOM 1127 CA TYR A 72 12.122 2.115 -11.617 1.00 0.00 C ATOM 1128 C TYR A 72 11.187 3.024 -10.825 1.00 0.00 C ATOM 1129 O TYR A 72 11.202 4.244 -10.991 1.00 0.00 O ATOM 1130 CB TYR A 72 11.534 1.841 -13.002 1.00 0.00 C ATOM 1131 CG TYR A 72 10.186 2.489 -13.226 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.087 3.832 -13.567 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.012 1.758 -13.096 1.00 0.00 C ATOM 1134 CE1 TYR A 72 8.858 4.428 -13.772 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.778 2.345 -13.301 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.707 3.681 -13.638 1.00 0.00 C ATOM 1137 OH TYR A 72 6.480 4.270 -13.842 1.00 0.00 O ATOM 0 H TYR A 72 11.747 0.095 -11.199 1.00 0.00 H new ATOM 0 HA TYR A 72 13.081 2.621 -11.731 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.230 2.199 -13.760 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.438 0.764 -13.140 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.986 4.420 -13.674 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.065 0.713 -12.830 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.799 5.474 -14.036 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.875 1.762 -13.198 1.00 0.00 H new ATOM 0 HH TYR A 72 5.953 3.722 -14.460 1.00 0.00 H new ATOM 1147 N ILE A 73 10.374 2.420 -9.964 1.00 0.00 N ATOM 1148 CA ILE A 73 9.433 3.174 -9.146 1.00 0.00 C ATOM 1149 C ILE A 73 10.063 3.581 -7.818 1.00 0.00 C ATOM 1150 O ILE A 73 9.730 4.624 -7.256 1.00 0.00 O ATOM 1151 CB ILE A 73 8.154 2.363 -8.867 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.443 1.240 -7.870 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.593 1.798 -10.163 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.141 1.612 -6.435 1.00 0.00 C ATOM 0 H ILE A 73 10.349 1.411 -9.815 1.00 0.00 H new ATOM 0 HA ILE A 73 9.170 4.069 -9.711 1.00 0.00 H new ATOM 0 HB ILE A 73 7.408 3.027 -8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.854 0.364 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.492 0.956 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.689 1.227 -9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.354 2.616 -10.843 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.333 1.146 -10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.370 0.768 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.750 2.469 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.086 1.868 -6.340 1.00 0.00 H new ATOM 1166 N GLU A 74 10.976 2.750 -7.323 1.00 0.00 N ATOM 1167 CA GLU A 74 11.653 3.025 -6.061 1.00 0.00 C ATOM 1168 C GLU A 74 12.805 4.004 -6.263 1.00 0.00 C ATOM 1169 O GLU A 74 13.047 4.877 -5.430 1.00 0.00 O ATOM 1170 CB GLU A 74 12.175 1.726 -5.444 1.00 0.00 C ATOM 1171 CG GLU A 74 13.219 1.024 -6.296 1.00 0.00 C ATOM 1172 CD GLU A 74 14.637 1.347 -5.865 1.00 0.00 C ATOM 1173 OE1 GLU A 74 14.828 2.363 -5.165 1.00 0.00 O ATOM 1174 OE2 GLU A 74 15.555 0.583 -6.228 1.00 0.00 O ATOM 0 H GLU A 74 11.263 1.882 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 74 10.931 3.477 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.604 1.945 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.337 1.049 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.063 -0.053 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.085 1.312 -7.339 1.00 0.00 H new ATOM 1181 N LYS A 75 13.515 3.851 -7.376 1.00 0.00 N ATOM 1182 CA LYS A 75 14.642 4.721 -7.691 1.00 0.00 C ATOM 1183 C LYS A 75 14.162 6.119 -8.068 1.00 0.00 C ATOM 1184 O LYS A 75 14.817 7.114 -7.760 1.00 0.00 O ATOM 1185 CB LYS A 75 15.467 4.127 -8.835 1.00 0.00 C ATOM 1186 CG LYS A 75 14.869 4.376 -10.209 1.00 0.00 C ATOM 1187 CD LYS A 75 15.532 3.514 -11.270 1.00 0.00 C ATOM 1188 CE LYS A 75 16.835 4.130 -11.755 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.834 4.343 -13.229 1.00 0.00 N ATOM 0 H LYS A 75 13.330 3.132 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 75 15.268 4.799 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.472 4.548 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.566 3.053 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.800 4.167 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.982 5.428 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.727 2.521 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.853 3.386 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.996 5.083 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.667 3.481 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.739 4.764 -13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.706 3.431 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.056 4.983 -13.487 1.00 0.00 H new ATOM 1203 N ASN A 76 13.015 6.186 -8.736 1.00 0.00 N ATOM 1204 CA ASN A 76 12.448 7.462 -9.154 1.00 0.00 C ATOM 1205 C ASN A 76 11.568 8.052 -8.057 1.00 0.00 C ATOM 1206 O ASN A 76 11.961 8.995 -7.371 1.00 0.00 O ATOM 1207 CB ASN A 76 11.633 7.286 -10.437 1.00 0.00 C ATOM 1208 CG ASN A 76 12.510 7.061 -11.653 1.00 0.00 C ATOM 1209 OD1 ASN A 76 13.722 7.277 -11.607 1.00 0.00 O ATOM 1210 ND2 ASN A 76 11.901 6.626 -12.750 1.00 0.00 N ATOM 0 H ASN A 76 12.460 5.371 -8.999 1.00 0.00 H new ATOM 0 HA ASN A 76 13.271 8.151 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.955 6.441 -10.320 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.016 8.170 -10.596 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.440 6.457 -13.600 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.895 6.460 -12.743 1.00 0.00 H new ATOM 1217 N ASN A 77 10.374 7.489 -7.896 1.00 0.00 N ATOM 1218 CA ASN A 77 9.438 7.959 -6.881 1.00 0.00 C ATOM 1219 C ASN A 77 9.669 7.243 -5.554 1.00 0.00 C ATOM 1220 O ASN A 77 9.047 6.219 -5.271 1.00 0.00 O ATOM 1221 CB ASN A 77 7.997 7.741 -7.347 1.00 0.00 C ATOM 1222 CG ASN A 77 7.543 8.797 -8.336 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.727 9.659 -8.010 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.070 8.733 -9.553 1.00 0.00 N ATOM 0 H ASN A 77 10.032 6.707 -8.455 1.00 0.00 H new ATOM 0 HA ASN A 77 9.608 9.025 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.912 6.756 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.333 7.748 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.802 9.416 -10.262 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.743 8.001 -9.779 1.00 0.00 H new ATOM 1231 N LYS A 78 10.568 7.789 -4.743 1.00 0.00 N ATOM 1232 CA LYS A 78 10.882 7.205 -3.444 1.00 0.00 C ATOM 1233 C LYS A 78 9.732 7.411 -2.463 1.00 0.00 C ATOM 1234 O LYS A 78 9.747 8.347 -1.663 1.00 0.00 O ATOM 1235 CB LYS A 78 12.164 7.823 -2.880 1.00 0.00 C ATOM 1236 CG LYS A 78 13.407 6.991 -3.145 1.00 0.00 C ATOM 1237 CD LYS A 78 14.665 7.703 -2.675 1.00 0.00 C ATOM 1238 CE LYS A 78 15.920 6.971 -3.124 1.00 0.00 C ATOM 1239 NZ LYS A 78 17.021 7.097 -2.129 1.00 0.00 N ATOM 0 H LYS A 78 11.093 8.636 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 78 11.032 6.134 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.301 8.814 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.050 7.958 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.319 6.031 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.484 6.780 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.676 8.720 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.656 7.780 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.690 5.917 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.250 7.370 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.859 6.585 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.258 8.101 -1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.716 6.693 -1.221 1.00 0.00 H new ATOM 1253 N GLN A 79 8.739 6.530 -2.529 1.00 0.00 N ATOM 1254 CA GLN A 79 7.582 6.616 -1.646 1.00 0.00 C ATOM 1255 C GLN A 79 7.279 5.262 -1.012 1.00 0.00 C ATOM 1256 O GLN A 79 7.719 4.973 0.101 1.00 0.00 O ATOM 1257 CB GLN A 79 6.360 7.117 -2.418 1.00 0.00 C ATOM 1258 CG GLN A 79 5.942 6.199 -3.555 1.00 0.00 C ATOM 1259 CD GLN A 79 4.808 5.269 -3.168 1.00 0.00 C ATOM 1260 OE1 GLN A 79 3.703 5.715 -2.859 1.00 0.00 O ATOM 1261 NE2 GLN A 79 5.078 3.969 -3.183 1.00 0.00 N ATOM 0 H GLN A 79 8.713 5.749 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 79 7.815 7.324 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.525 7.229 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.576 8.106 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.636 6.802 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.800 5.607 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.009 3.644 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.355 3.295 -2.932 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 1.882 -3.241 -31.919 1.00 0.00 P HETATM 1272 O25 PNS A 137 1.147 -2.101 -32.794 1.00 0.00 O HETATM 1273 O26 PNS A 137 3.285 -3.461 -32.331 1.00 0.00 O HETATM 1274 O27 PNS A 137 0.953 -4.551 -32.045 1.00 0.00 O HETATM 1275 C28 PNS A 137 1.482 -5.873 -31.902 1.00 0.00 C HETATM 1276 C29 PNS A 137 0.399 -6.965 -31.775 1.00 0.00 C HETATM 1277 C30 PNS A 137 -0.583 -6.834 -32.955 1.00 0.00 C HETATM 1278 C31 PNS A 137 -0.357 -6.724 -30.451 1.00 0.00 C HETATM 1279 C32 PNS A 137 1.122 -8.333 -31.755 1.00 0.00 C HETATM 1280 O33 PNS A 137 1.804 -8.572 -32.992 1.00 0.00 O HETATM 1281 C34 PNS A 137 0.230 -9.571 -31.480 1.00 0.00 C HETATM 1282 O35 PNS A 137 -0.981 -9.567 -31.721 1.00 0.00 O HETATM 1283 N36 PNS A 137 0.796 -10.679 -30.983 1.00 0.00 N HETATM 1284 C37 PNS A 137 2.229 -10.869 -30.682 1.00 0.00 C HETATM 1285 C38 PNS A 137 2.498 -12.365 -30.492 1.00 0.00 C HETATM 1286 C39 PNS A 137 4.012 -12.664 -30.433 1.00 0.00 C HETATM 1287 O40 PNS A 137 4.674 -12.560 -31.466 1.00 0.00 O HETATM 1288 N41 PNS A 137 4.569 -13.019 -29.268 1.00 0.00 N HETATM 1289 C42 PNS A 137 3.895 -13.192 -27.964 1.00 0.00 C HETATM 1290 C43 PNS A 137 4.923 -13.543 -26.888 1.00 0.00 C HETATM 1291 S44 PNS A 137 5.784 -15.134 -27.182 1.00 0.00 S HETATM 0 H432 PNS A 137 5.663 -12.745 -26.831 1.00 0.00 H new HETATM 0 H431 PNS A 137 4.423 -13.584 -25.920 1.00 0.00 H new HETATM 0 H422 PNS A 137 3.146 -13.980 -28.034 1.00 0.00 H new HETATM 0 H421 PNS A 137 3.370 -12.276 -27.692 1.00 0.00 H new HETATM 0 H382 PNS A 137 2.047 -12.924 -31.312 1.00 0.00 H new HETATM 0 H381 PNS A 137 2.022 -12.708 -29.573 1.00 0.00 H new HETATM 0 H372 PNS A 137 2.502 -10.319 -29.781 1.00 0.00 H new HETATM 0 H371 PNS A 137 2.841 -10.475 -31.494 1.00 0.00 H new HETATM 0 H313 PNS A 137 -1.132 -7.481 -30.331 1.00 0.00 H new HETATM 0 H312 PNS A 137 -0.816 -5.735 -30.469 1.00 0.00 H new HETATM 0 H311 PNS A 137 0.342 -6.785 -29.617 1.00 0.00 H new HETATM 0 H303 PNS A 137 -1.353 -7.602 -32.875 1.00 0.00 H new HETATM 0 H302 PNS A 137 -0.043 -6.959 -33.893 1.00 0.00 H new HETATM 0 H301 PNS A 137 -1.049 -5.849 -32.933 1.00 0.00 H new HETATM 0 H282 PNS A 137 2.123 -5.905 -31.021 1.00 0.00 H new HETATM 0 H281 PNS A 137 2.112 -6.097 -32.762 1.00 0.00 H new HETATM 0 H44 PNS A 137 6.636 -15.349 -26.224 1.00 0.00 H new HETATM 0 H41 PNS A 137 5.575 -13.190 -29.282 1.00 0.00 H new HETATM 0 H36 PNS A 137 0.177 -11.468 -30.794 1.00 0.00 H new HETATM 0 H33 PNS A 137 1.272 -9.180 -33.547 1.00 0.00 H new HETATM 0 H32 PNS A 137 1.806 -8.235 -30.912 1.00 0.00 H new