USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 696 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc=-0.00477 X(o=-0.0048,f=0) USER MOD Set 2.1: A 11 GLN : amide:sc= 0.882 K(o=1.8,f=0.54) USER MOD Set 2.2: A 14 GLN : amide:sc= 0.934 K(o=1.8,f=0.54) USER MOD Set 3.1: A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 10 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.23) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00458) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0021 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 104:sc= 1.22 USER MOD Single : A 13 SER OG : rot 77:sc= 0.221 USER MOD Single : A 15 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.16) USER MOD Single : A 21 THR OG1 : rot 84:sc= 0.799 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0621 K(o=-0.062,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0367) USER MOD Single : A 30 ASN : amide:sc=-0.00757 X(o=-0.0076,f=-0.0076) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 81:sc= 0.998 USER MOD Single : A 36 THR OG1 : rot -170:sc= 0.368 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.26) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -86:sc= 0.174 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -99:sc= 0.428 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -0:sc= 0.0901 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.16) USER MOD Single : A 67 SER OG : rot 86:sc= 1.31 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 161:sc= 0 (180deg=-0.0582) USER MOD Single : A 74 SER OG : rot 71:sc= 1.18 USER MOD Single : A 75 THR OG1 : rot 67:sc= 0.335 USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 1.05 (180deg=0.485) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 13:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.971 10.351 24.835 1.00 0.00 N ATOM 2 CA MET A 1 15.844 10.000 23.697 1.00 0.00 C ATOM 3 C MET A 1 15.014 9.301 22.642 1.00 0.00 C ATOM 4 O MET A 1 14.528 8.195 22.863 1.00 0.00 O ATOM 5 CB MET A 1 17.060 9.172 24.133 1.00 0.00 C ATOM 6 CG MET A 1 17.859 8.598 22.951 1.00 0.00 C ATOM 7 SD MET A 1 19.490 7.918 23.367 1.00 0.00 S ATOM 8 CE MET A 1 19.027 6.555 24.470 1.00 0.00 C ATOM 0 H1 MET A 1 15.531 10.832 25.567 1.00 0.00 H new ATOM 0 H2 MET A 1 14.212 10.983 24.508 1.00 0.00 H new ATOM 0 H3 MET A 1 14.554 9.485 25.232 1.00 0.00 H new ATOM 0 HA MET A 1 16.259 10.913 23.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.718 9.796 24.739 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.724 8.352 24.768 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.266 7.813 22.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.991 9.385 22.208 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.923 6.018 24.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.520 6.954 25.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.359 5.872 23.944 1.00 0.00 H new ATOM 20 N SER A 2 14.834 9.952 21.495 1.00 0.00 N ATOM 21 CA SER A 2 13.704 9.712 20.585 1.00 0.00 C ATOM 22 C SER A 2 13.842 8.501 19.646 1.00 0.00 C ATOM 23 O SER A 2 13.252 8.508 18.568 1.00 0.00 O ATOM 24 CB SER A 2 13.382 10.978 19.800 1.00 0.00 C ATOM 25 OG SER A 2 13.375 12.139 20.610 1.00 0.00 O ATOM 0 H SER A 2 15.475 10.672 21.162 1.00 0.00 H new ATOM 0 HA SER A 2 12.872 9.446 21.237 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.114 11.102 19.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.408 10.867 19.324 1.00 0.00 H new ATOM 0 HG SER A 2 13.165 12.921 20.058 1.00 0.00 H new ATOM 31 N SER A 3 14.626 7.474 19.986 1.00 0.00 N ATOM 32 CA SER A 3 14.936 6.331 19.103 1.00 0.00 C ATOM 33 C SER A 3 13.685 5.606 18.582 1.00 0.00 C ATOM 34 O SER A 3 13.579 5.363 17.378 1.00 0.00 O ATOM 35 CB SER A 3 15.827 5.319 19.833 1.00 0.00 C ATOM 36 OG SER A 3 16.892 5.967 20.513 1.00 0.00 O ATOM 0 H SER A 3 15.075 7.406 20.899 1.00 0.00 H new ATOM 0 HA SER A 3 15.455 6.751 18.241 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.229 4.752 20.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.231 4.604 19.117 1.00 0.00 H new ATOM 0 HG SER A 3 17.443 5.298 20.971 1.00 0.00 H new ATOM 42 N LYS A 4 12.698 5.353 19.453 1.00 0.00 N ATOM 43 CA LYS A 4 11.393 4.757 19.101 1.00 0.00 C ATOM 44 C LYS A 4 10.605 5.595 18.080 1.00 0.00 C ATOM 45 O LYS A 4 9.976 5.048 17.183 1.00 0.00 O ATOM 46 CB LYS A 4 10.595 4.460 20.386 1.00 0.00 C ATOM 47 CG LYS A 4 10.168 5.707 21.150 1.00 0.00 C ATOM 48 CD LYS A 4 9.638 5.377 22.550 1.00 0.00 C ATOM 49 CE LYS A 4 10.654 4.705 23.482 1.00 0.00 C ATOM 50 NZ LYS A 4 10.208 4.740 24.893 1.00 0.00 N ATOM 0 H LYS A 4 12.783 5.561 20.448 1.00 0.00 H new ATOM 0 HA LYS A 4 11.576 3.812 18.590 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.707 3.884 20.126 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.200 3.834 21.041 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.016 6.386 21.236 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.396 6.230 20.585 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.291 6.298 23.018 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.771 4.724 22.450 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.803 3.670 23.173 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.618 5.206 23.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.920 4.277 25.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.090 5.728 25.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.301 4.240 24.983 1.00 0.00 H new ATOM 64 N GLU A 5 10.747 6.918 18.164 1.00 0.00 N ATOM 65 CA GLU A 5 10.177 7.930 17.268 1.00 0.00 C ATOM 66 C GLU A 5 11.046 8.215 16.019 1.00 0.00 C ATOM 67 O GLU A 5 10.733 9.111 15.229 1.00 0.00 O ATOM 68 CB GLU A 5 9.913 9.222 18.066 1.00 0.00 C ATOM 69 CG GLU A 5 8.877 9.117 19.163 1.00 0.00 C ATOM 70 CD GLU A 5 8.335 10.492 19.577 1.00 0.00 C ATOM 71 OE1 GLU A 5 7.367 10.986 18.950 1.00 0.00 O ATOM 72 OE2 GLU A 5 8.878 11.109 20.526 1.00 0.00 O ATOM 0 H GLU A 5 11.300 7.342 18.909 1.00 0.00 H new ATOM 0 HA GLU A 5 9.240 7.530 16.881 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.853 9.551 18.510 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.600 10.000 17.369 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.053 8.490 18.824 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.316 8.625 20.030 1.00 0.00 H new ATOM 79 N THR A 6 12.210 7.562 15.896 1.00 0.00 N ATOM 80 CA THR A 6 13.267 7.810 14.886 1.00 0.00 C ATOM 81 C THR A 6 13.614 6.528 14.103 1.00 0.00 C ATOM 82 O THR A 6 14.725 6.363 13.596 1.00 0.00 O ATOM 83 CB THR A 6 14.489 8.524 15.512 1.00 0.00 C ATOM 84 OG1 THR A 6 14.042 9.606 16.311 1.00 0.00 O ATOM 85 CG2 THR A 6 15.444 9.181 14.515 1.00 0.00 C ATOM 0 H THR A 6 12.460 6.803 16.530 1.00 0.00 H new ATOM 0 HA THR A 6 12.878 8.503 14.141 1.00 0.00 H new ATOM 0 HB THR A 6 15.010 7.730 16.047 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.108 9.362 17.258 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.265 9.653 15.055 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.842 8.424 13.839 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.907 9.935 13.940 1.00 0.00 H new ATOM 93 N ILE A 7 12.650 5.603 14.003 1.00 0.00 N ATOM 94 CA ILE A 7 12.688 4.346 13.262 1.00 0.00 C ATOM 95 C ILE A 7 13.240 4.545 11.826 1.00 0.00 C ATOM 96 O ILE A 7 12.716 5.391 11.093 1.00 0.00 O ATOM 97 CB ILE A 7 11.261 3.750 13.374 1.00 0.00 C ATOM 98 CG1 ILE A 7 11.232 2.240 13.122 1.00 0.00 C ATOM 99 CG2 ILE A 7 10.167 4.502 12.593 1.00 0.00 C ATOM 100 CD1 ILE A 7 11.389 1.805 11.665 1.00 0.00 C ATOM 0 H ILE A 7 11.756 5.729 14.477 1.00 0.00 H new ATOM 0 HA ILE A 7 13.393 3.624 13.675 1.00 0.00 H new ATOM 0 HB ILE A 7 10.993 3.909 14.418 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.027 1.778 13.707 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.288 1.846 13.499 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.208 4.004 12.738 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.101 5.528 12.955 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.416 4.507 11.532 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.354 0.717 11.604 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.580 2.228 11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.346 2.159 11.281 1.00 0.00 H new ATOM 112 N PRO A 8 14.313 3.827 11.422 1.00 0.00 N ATOM 113 CA PRO A 8 15.085 4.098 10.207 1.00 0.00 C ATOM 114 C PRO A 8 14.279 4.237 8.920 1.00 0.00 C ATOM 115 O PRO A 8 13.479 3.363 8.577 1.00 0.00 O ATOM 116 CB PRO A 8 16.063 2.943 10.058 1.00 0.00 C ATOM 117 CG PRO A 8 16.310 2.497 11.490 1.00 0.00 C ATOM 118 CD PRO A 8 14.991 2.791 12.193 1.00 0.00 C ATOM 0 HA PRO A 8 15.556 5.073 10.335 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.644 2.138 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.986 3.259 9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.564 1.438 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.136 3.045 11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.378 1.892 12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.166 3.125 13.216 1.00 0.00 H new ATOM 126 N MET A 9 14.594 5.268 8.136 1.00 0.00 N ATOM 127 CA MET A 9 14.002 5.514 6.817 1.00 0.00 C ATOM 128 C MET A 9 14.094 4.302 5.875 1.00 0.00 C ATOM 129 O MET A 9 13.142 4.031 5.149 1.00 0.00 O ATOM 130 CB MET A 9 14.622 6.785 6.205 1.00 0.00 C ATOM 131 CG MET A 9 16.021 6.626 5.583 1.00 0.00 C ATOM 132 SD MET A 9 17.333 5.908 6.608 1.00 0.00 S ATOM 133 CE MET A 9 18.719 6.080 5.454 1.00 0.00 C ATOM 0 H MET A 9 15.282 5.972 8.404 1.00 0.00 H new ATOM 0 HA MET A 9 12.933 5.676 6.953 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.946 7.160 5.437 1.00 0.00 H new ATOM 0 HB3 MET A 9 14.677 7.548 6.982 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.921 6.010 4.689 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.355 7.611 5.256 1.00 0.00 H new ATOM 0 HE1 MET A 9 19.626 5.687 5.914 1.00 0.00 H new ATOM 0 HE2 MET A 9 18.504 5.523 4.542 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.862 7.133 5.211 1.00 0.00 H new ATOM 143 N HIS A 10 15.169 3.507 5.950 1.00 0.00 N ATOM 144 CA HIS A 10 15.301 2.263 5.185 1.00 0.00 C ATOM 145 C HIS A 10 14.313 1.168 5.628 1.00 0.00 C ATOM 146 O HIS A 10 13.746 0.488 4.774 1.00 0.00 O ATOM 147 CB HIS A 10 16.761 1.778 5.186 1.00 0.00 C ATOM 148 CG HIS A 10 17.465 1.711 6.520 1.00 0.00 C ATOM 149 ND1 HIS A 10 17.353 0.721 7.474 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.488 2.530 6.917 1.00 0.00 C ATOM 151 CE1 HIS A 10 18.272 0.945 8.428 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.003 2.030 8.119 1.00 0.00 N ATOM 0 H HIS A 10 15.973 3.710 6.544 1.00 0.00 H new ATOM 0 HA HIS A 10 15.025 2.489 4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.787 0.784 4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.336 2.435 4.533 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.837 3.408 6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.404 0.341 9.314 1.00 0.00 H new ATOM 0 HE2 HIS A 10 19.781 2.414 8.655 1.00 0.00 H new ATOM 160 N GLN A 11 14.019 1.019 6.927 1.00 0.00 N ATOM 161 CA GLN A 11 12.960 0.103 7.375 1.00 0.00 C ATOM 162 C GLN A 11 11.554 0.625 7.020 1.00 0.00 C ATOM 163 O GLN A 11 10.688 -0.170 6.644 1.00 0.00 O ATOM 164 CB GLN A 11 13.119 -0.180 8.877 1.00 0.00 C ATOM 165 CG GLN A 11 12.124 -1.214 9.432 1.00 0.00 C ATOM 166 CD GLN A 11 12.136 -2.566 8.713 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.915 -3.468 9.002 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.281 -2.750 7.732 1.00 0.00 N ATOM 0 H GLN A 11 14.494 1.516 7.680 1.00 0.00 H new ATOM 0 HA GLN A 11 13.067 -0.840 6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.134 -0.532 9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.999 0.754 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.342 -1.377 10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.119 -0.797 9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.627 -2.009 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.272 -3.634 7.223 1.00 0.00 H new ATOM 177 N ARG A 12 11.326 1.947 7.051 1.00 0.00 N ATOM 178 CA ARG A 12 10.067 2.550 6.564 1.00 0.00 C ATOM 179 C ARG A 12 9.884 2.312 5.057 1.00 0.00 C ATOM 180 O ARG A 12 8.831 1.846 4.633 1.00 0.00 O ATOM 181 CB ARG A 12 9.989 4.051 6.917 1.00 0.00 C ATOM 182 CG ARG A 12 10.191 4.358 8.414 1.00 0.00 C ATOM 183 CD ARG A 12 9.748 5.768 8.832 1.00 0.00 C ATOM 184 NE ARG A 12 10.333 6.844 8.012 1.00 0.00 N ATOM 185 CZ ARG A 12 11.373 7.613 8.273 1.00 0.00 C ATOM 186 NH1 ARG A 12 12.185 7.461 9.279 1.00 0.00 N ATOM 187 NH2 ARG A 12 11.623 8.592 7.468 1.00 0.00 N ATOM 0 H ARG A 12 11.998 2.625 7.409 1.00 0.00 H new ATOM 0 HA ARG A 12 9.242 2.055 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.744 4.588 6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.018 4.436 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.637 3.626 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.245 4.232 8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.661 5.829 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.021 5.930 9.875 1.00 0.00 H new ATOM 0 HE ARG A 12 9.870 7.018 7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.040 6.699 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.966 8.104 9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.024 8.752 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.420 9.205 7.642 1.00 0.00 H new ATOM 201 N SER A 13 10.939 2.497 4.260 1.00 0.00 N ATOM 202 CA SER A 13 10.925 2.264 2.803 1.00 0.00 C ATOM 203 C SER A 13 10.733 0.787 2.429 1.00 0.00 C ATOM 204 O SER A 13 10.156 0.489 1.381 1.00 0.00 O ATOM 205 CB SER A 13 12.211 2.790 2.152 1.00 0.00 C ATOM 206 OG SER A 13 12.279 4.204 2.231 1.00 0.00 O ATOM 0 H SER A 13 11.843 2.817 4.608 1.00 0.00 H new ATOM 0 HA SER A 13 10.064 2.813 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.078 2.352 2.646 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.248 2.478 1.108 1.00 0.00 H new ATOM 0 HG SER A 13 12.539 4.469 3.138 1.00 0.00 H new ATOM 212 N GLN A 14 11.171 -0.140 3.286 1.00 0.00 N ATOM 213 CA GLN A 14 10.899 -1.576 3.166 1.00 0.00 C ATOM 214 C GLN A 14 9.416 -1.906 3.425 1.00 0.00 C ATOM 215 O GLN A 14 8.815 -2.640 2.642 1.00 0.00 O ATOM 216 CB GLN A 14 11.862 -2.319 4.093 1.00 0.00 C ATOM 217 CG GLN A 14 11.926 -3.814 3.775 1.00 0.00 C ATOM 218 CD GLN A 14 10.809 -4.634 4.414 1.00 0.00 C ATOM 219 OE1 GLN A 14 10.606 -4.630 5.622 1.00 0.00 O ATOM 220 NE2 GLN A 14 10.045 -5.353 3.627 1.00 0.00 N ATOM 0 H GLN A 14 11.738 0.092 4.102 1.00 0.00 H new ATOM 0 HA GLN A 14 11.075 -1.910 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.858 -1.886 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.548 -2.182 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.887 -3.947 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.887 -4.205 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.211 -5.359 2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.284 -5.907 4.021 1.00 0.00 H new ATOM 229 N ASN A 15 8.785 -1.304 4.443 1.00 0.00 N ATOM 230 CA ASN A 15 7.336 -1.442 4.657 1.00 0.00 C ATOM 231 C ASN A 15 6.527 -0.887 3.469 1.00 0.00 C ATOM 232 O ASN A 15 5.612 -1.542 2.967 1.00 0.00 O ATOM 233 CB ASN A 15 6.941 -0.752 5.972 1.00 0.00 C ATOM 234 CG ASN A 15 5.458 -0.918 6.260 1.00 0.00 C ATOM 235 OD1 ASN A 15 4.680 0.014 6.157 1.00 0.00 O ATOM 236 ND2 ASN A 15 5.010 -2.100 6.608 1.00 0.00 N ATOM 0 H ASN A 15 9.255 -0.716 5.132 1.00 0.00 H new ATOM 0 HA ASN A 15 7.098 -2.503 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.522 -1.171 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.186 0.309 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.016 -2.235 6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.656 -2.885 6.696 1.00 0.00 H new ATOM 243 N VAL A 16 6.934 0.280 2.955 1.00 0.00 N ATOM 244 CA VAL A 16 6.364 0.907 1.754 1.00 0.00 C ATOM 245 C VAL A 16 6.466 -0.022 0.543 1.00 0.00 C ATOM 246 O VAL A 16 5.530 -0.058 -0.246 1.00 0.00 O ATOM 247 CB VAL A 16 7.062 2.258 1.485 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.759 2.879 0.115 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.669 3.288 2.549 1.00 0.00 C ATOM 0 H VAL A 16 7.686 0.828 3.372 1.00 0.00 H new ATOM 0 HA VAL A 16 5.304 1.093 1.928 1.00 0.00 H new ATOM 0 HB VAL A 16 8.125 2.021 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.293 3.824 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.081 2.198 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.687 3.057 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.171 4.234 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.590 3.438 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.967 2.926 3.533 1.00 0.00 H new ATOM 259 N ALA A 17 7.539 -0.811 0.406 1.00 0.00 N ATOM 260 CA ALA A 17 7.719 -1.735 -0.717 1.00 0.00 C ATOM 261 C ALA A 17 6.754 -2.943 -0.678 1.00 0.00 C ATOM 262 O ALA A 17 6.204 -3.345 -1.712 1.00 0.00 O ATOM 263 CB ALA A 17 9.187 -2.188 -0.746 1.00 0.00 C ATOM 0 H ALA A 17 8.309 -0.825 1.075 1.00 0.00 H new ATOM 0 HA ALA A 17 7.471 -1.205 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.339 -2.877 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.833 -1.319 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.432 -2.689 0.190 1.00 0.00 H new ATOM 269 N GLU A 18 6.502 -3.504 0.511 1.00 0.00 N ATOM 270 CA GLU A 18 5.489 -4.556 0.699 1.00 0.00 C ATOM 271 C GLU A 18 4.070 -4.031 0.434 1.00 0.00 C ATOM 272 O GLU A 18 3.282 -4.706 -0.237 1.00 0.00 O ATOM 273 CB GLU A 18 5.558 -5.142 2.117 1.00 0.00 C ATOM 274 CG GLU A 18 6.775 -6.043 2.339 1.00 0.00 C ATOM 275 CD GLU A 18 6.713 -6.707 3.721 1.00 0.00 C ATOM 276 OE1 GLU A 18 5.854 -7.601 3.923 1.00 0.00 O ATOM 277 OE2 GLU A 18 7.537 -6.372 4.605 1.00 0.00 O ATOM 0 H GLU A 18 6.991 -3.245 1.368 1.00 0.00 H new ATOM 0 HA GLU A 18 5.711 -5.340 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.582 -4.326 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.651 -5.714 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.813 -6.808 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.689 -5.456 2.253 1.00 0.00 H new ATOM 284 N LEU A 19 3.775 -2.816 0.914 1.00 0.00 N ATOM 285 CA LEU A 19 2.512 -2.105 0.707 1.00 0.00 C ATOM 286 C LEU A 19 2.282 -1.774 -0.780 1.00 0.00 C ATOM 287 O LEU A 19 1.211 -2.076 -1.304 1.00 0.00 O ATOM 288 CB LEU A 19 2.526 -0.856 1.602 1.00 0.00 C ATOM 289 CG LEU A 19 1.141 -0.186 1.689 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.797 0.098 3.143 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.114 1.141 0.946 1.00 0.00 C ATOM 0 H LEU A 19 4.437 -2.283 1.478 1.00 0.00 H new ATOM 0 HA LEU A 19 1.670 -2.737 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.857 -1.132 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.250 -0.140 1.213 1.00 0.00 H new ATOM 0 HG LEU A 19 0.423 -0.871 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.183 0.572 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.781 -0.837 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.547 0.764 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.122 1.584 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.851 1.816 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.350 0.974 -0.105 1.00 0.00 H new ATOM 303 N LEU A 20 3.289 -1.243 -1.491 1.00 0.00 N ATOM 304 CA LEU A 20 3.241 -0.972 -2.929 1.00 0.00 C ATOM 305 C LEU A 20 2.848 -2.215 -3.720 1.00 0.00 C ATOM 306 O LEU A 20 1.970 -2.159 -4.572 1.00 0.00 O ATOM 307 CB LEU A 20 4.621 -0.480 -3.445 1.00 0.00 C ATOM 308 CG LEU A 20 4.613 0.855 -4.201 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.563 0.875 -5.310 1.00 0.00 C ATOM 310 CD2 LEU A 20 4.360 2.010 -3.242 1.00 0.00 C ATOM 0 H LEU A 20 4.180 -0.985 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 20 2.489 -0.197 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.295 -0.390 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.037 -1.245 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 20 5.595 0.969 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.591 1.838 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.774 0.079 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.574 0.722 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.358 2.949 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.394 1.874 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.146 2.036 -2.488 1.00 0.00 H new ATOM 322 N THR A 21 3.481 -3.345 -3.414 1.00 0.00 N ATOM 323 CA THR A 21 3.270 -4.621 -4.110 1.00 0.00 C ATOM 324 C THR A 21 1.861 -5.178 -3.880 1.00 0.00 C ATOM 325 O THR A 21 1.308 -5.826 -4.773 1.00 0.00 O ATOM 326 CB THR A 21 4.349 -5.611 -3.642 1.00 0.00 C ATOM 327 OG1 THR A 21 5.629 -5.081 -3.936 1.00 0.00 O ATOM 328 CG2 THR A 21 4.238 -6.978 -4.312 1.00 0.00 C ATOM 0 H THR A 21 4.168 -3.405 -2.663 1.00 0.00 H new ATOM 0 HA THR A 21 3.356 -4.460 -5.185 1.00 0.00 H new ATOM 0 HB THR A 21 4.203 -5.749 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.903 -4.470 -3.220 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.027 -7.631 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.267 -7.417 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.341 -6.864 -5.391 1.00 0.00 H new ATOM 336 N VAL A 22 1.246 -4.908 -2.721 1.00 0.00 N ATOM 337 CA VAL A 22 -0.169 -5.217 -2.469 1.00 0.00 C ATOM 338 C VAL A 22 -1.090 -4.240 -3.201 1.00 0.00 C ATOM 339 O VAL A 22 -2.017 -4.692 -3.861 1.00 0.00 O ATOM 340 CB VAL A 22 -0.460 -5.243 -0.950 1.00 0.00 C ATOM 341 CG1 VAL A 22 -1.950 -5.211 -0.595 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.111 -6.507 -0.300 1.00 0.00 C ATOM 0 H VAL A 22 1.716 -4.468 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.375 -6.211 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 22 0.014 -4.336 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.066 -5.232 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.399 -4.300 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.446 -6.078 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.109 -6.498 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.342 -7.387 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.190 -6.536 -0.448 1.00 0.00 H new ATOM 352 N LEU A 23 -0.844 -2.925 -3.156 1.00 0.00 N ATOM 353 CA LEU A 23 -1.695 -1.942 -3.848 1.00 0.00 C ATOM 354 C LEU A 23 -1.625 -2.064 -5.381 1.00 0.00 C ATOM 355 O LEU A 23 -2.632 -1.903 -6.067 1.00 0.00 O ATOM 356 CB LEU A 23 -1.354 -0.510 -3.395 1.00 0.00 C ATOM 357 CG LEU A 23 -1.637 -0.135 -1.937 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.423 1.366 -1.726 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.076 -0.487 -1.631 1.00 0.00 C ATOM 0 H LEU A 23 -0.061 -2.514 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.724 -2.165 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.294 -0.343 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.904 0.183 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.961 -0.678 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.627 1.620 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.392 1.624 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.098 1.924 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.302 -0.229 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.736 0.070 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.229 -1.556 -1.780 1.00 0.00 H new ATOM 371 N MET A 24 -0.463 -2.440 -5.914 1.00 0.00 N ATOM 372 CA MET A 24 -0.276 -2.878 -7.301 1.00 0.00 C ATOM 373 C MET A 24 -1.140 -4.107 -7.624 1.00 0.00 C ATOM 374 O MET A 24 -1.738 -4.162 -8.697 1.00 0.00 O ATOM 375 CB MET A 24 1.222 -3.162 -7.518 1.00 0.00 C ATOM 376 CG MET A 24 2.023 -1.871 -7.736 1.00 0.00 C ATOM 377 SD MET A 24 1.764 -1.046 -9.334 1.00 0.00 S ATOM 378 CE MET A 24 2.774 -2.101 -10.412 1.00 0.00 C ATOM 0 H MET A 24 0.404 -2.449 -5.376 1.00 0.00 H new ATOM 0 HA MET A 24 -0.600 -2.092 -7.983 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.620 -3.694 -6.654 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.346 -3.817 -8.381 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.771 -1.170 -6.940 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.084 -2.101 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.724 -1.730 -11.436 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.809 -2.085 -10.071 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.397 -3.123 -10.378 1.00 0.00 H new ATOM 388 N ASP A 25 -1.303 -5.039 -6.679 1.00 0.00 N ATOM 389 CA ASP A 25 -2.249 -6.156 -6.805 1.00 0.00 C ATOM 390 C ASP A 25 -3.712 -5.672 -6.843 1.00 0.00 C ATOM 391 O ASP A 25 -4.485 -6.156 -7.668 1.00 0.00 O ATOM 392 CB ASP A 25 -2.028 -7.200 -5.694 1.00 0.00 C ATOM 393 CG ASP A 25 -1.727 -8.592 -6.255 1.00 0.00 C ATOM 394 OD1 ASP A 25 -0.576 -8.811 -6.722 1.00 0.00 O ATOM 395 OD2 ASP A 25 -2.611 -9.474 -6.191 1.00 0.00 O ATOM 0 H ASP A 25 -0.782 -5.041 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.051 -6.641 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.202 -6.881 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.916 -7.249 -5.063 1.00 0.00 H new ATOM 400 N ILE A 26 -4.092 -4.663 -6.039 1.00 0.00 N ATOM 401 CA ILE A 26 -5.451 -4.088 -6.053 1.00 0.00 C ATOM 402 C ILE A 26 -5.714 -3.481 -7.426 1.00 0.00 C ATOM 403 O ILE A 26 -6.750 -3.740 -8.033 1.00 0.00 O ATOM 404 CB ILE A 26 -5.670 -2.992 -4.974 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.186 -3.332 -3.562 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.143 -2.540 -4.934 1.00 0.00 C ATOM 407 CD1 ILE A 26 -5.832 -4.547 -2.945 1.00 0.00 C ATOM 0 H ILE A 26 -3.468 -4.223 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.142 -4.901 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.027 -2.174 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.107 -3.487 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.367 -2.474 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.267 -1.773 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.426 -2.134 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.779 -3.393 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.426 -4.708 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.909 -4.392 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.629 -5.421 -3.564 1.00 0.00 H new ATOM 419 N ASN A 27 -4.743 -2.723 -7.942 1.00 0.00 N ATOM 420 CA ASN A 27 -4.874 -2.048 -9.232 1.00 0.00 C ATOM 421 C ASN A 27 -4.968 -3.046 -10.399 1.00 0.00 C ATOM 422 O ASN A 27 -5.736 -2.825 -11.339 1.00 0.00 O ATOM 423 CB ASN A 27 -3.712 -1.058 -9.417 1.00 0.00 C ATOM 424 CG ASN A 27 -4.006 -0.071 -10.534 1.00 0.00 C ATOM 425 OD1 ASN A 27 -5.069 0.531 -10.576 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.093 0.130 -11.458 1.00 0.00 N ATOM 0 H ASN A 27 -3.849 -2.562 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.811 -1.491 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.539 -0.518 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.797 -1.605 -9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.270 0.791 -12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.208 -0.375 -11.418 1.00 0.00 H new ATOM 433 N LYS A 28 -4.242 -4.170 -10.316 1.00 0.00 N ATOM 434 CA LYS A 28 -4.266 -5.248 -11.315 1.00 0.00 C ATOM 435 C LYS A 28 -5.579 -6.039 -11.287 1.00 0.00 C ATOM 436 O LYS A 28 -6.148 -6.307 -12.348 1.00 0.00 O ATOM 437 CB LYS A 28 -3.042 -6.154 -11.089 1.00 0.00 C ATOM 438 CG LYS A 28 -2.676 -7.054 -12.281 1.00 0.00 C ATOM 439 CD LYS A 28 -2.163 -6.266 -13.502 1.00 0.00 C ATOM 440 CE LYS A 28 -3.233 -5.946 -14.554 1.00 0.00 C ATOM 441 NZ LYS A 28 -3.707 -7.153 -15.269 1.00 0.00 N ATOM 0 H LYS A 28 -3.610 -4.359 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.213 -4.810 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.183 -5.527 -10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.230 -6.785 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.912 -7.766 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.552 -7.634 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.723 -5.331 -13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.365 -6.837 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.079 -5.459 -14.070 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.827 -5.237 -15.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.311 -6.869 -16.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.890 -7.688 -15.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.254 -7.751 -14.617 1.00 0.00 H new ATOM 455 N ILE A 29 -6.091 -6.357 -10.094 1.00 0.00 N ATOM 456 CA ILE A 29 -7.379 -7.046 -9.896 1.00 0.00 C ATOM 457 C ILE A 29 -8.552 -6.134 -10.304 1.00 0.00 C ATOM 458 O ILE A 29 -9.467 -6.592 -10.987 1.00 0.00 O ATOM 459 CB ILE A 29 -7.502 -7.552 -8.435 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.428 -8.618 -8.102 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.893 -8.163 -8.176 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.228 -8.827 -6.592 1.00 0.00 C ATOM 0 H ILE A 29 -5.615 -6.140 -9.218 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.419 -7.921 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.353 -6.683 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.713 -9.566 -8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.480 -8.321 -8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.952 -8.510 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.660 -7.408 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.052 -9.004 -8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.463 -9.586 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.913 -7.890 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.166 -9.154 -6.143 1.00 0.00 H new ATOM 474 N ASN A 30 -8.503 -4.841 -9.973 1.00 0.00 N ATOM 475 CA ASN A 30 -9.504 -3.853 -10.387 1.00 0.00 C ATOM 476 C ASN A 30 -9.421 -3.494 -11.886 1.00 0.00 C ATOM 477 O ASN A 30 -10.433 -3.114 -12.473 1.00 0.00 O ATOM 478 CB ASN A 30 -9.337 -2.609 -9.490 1.00 0.00 C ATOM 479 CG ASN A 30 -10.167 -1.425 -9.949 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.633 -0.440 -10.449 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.470 -1.491 -9.831 1.00 0.00 N ATOM 0 H ASN A 30 -7.756 -4.445 -9.402 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.498 -4.282 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.616 -2.866 -8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.286 -2.322 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.051 -0.719 -10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.903 -2.315 -9.414 1.00 0.00 H new ATOM 488 N GLY A 31 -8.257 -3.632 -12.529 1.00 0.00 N ATOM 489 CA GLY A 31 -8.050 -3.194 -13.913 1.00 0.00 C ATOM 490 C GLY A 31 -8.090 -1.675 -14.058 1.00 0.00 C ATOM 491 O GLY A 31 -8.817 -1.132 -14.898 1.00 0.00 O ATOM 0 H GLY A 31 -7.430 -4.051 -12.103 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.088 -3.564 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.816 -3.637 -14.549 1.00 0.00 H new ATOM 495 N GLY A 32 -7.306 -0.997 -13.219 1.00 0.00 N ATOM 496 CA GLY A 32 -6.974 0.414 -13.384 1.00 0.00 C ATOM 497 C GLY A 32 -5.841 0.649 -14.393 1.00 0.00 C ATOM 498 O GLY A 32 -5.525 -0.202 -15.232 1.00 0.00 O ATOM 0 H GLY A 32 -6.879 -1.421 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.862 0.955 -13.711 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.685 0.829 -12.418 1.00 0.00 H new ATOM 502 N ASP A 33 -5.240 1.829 -14.285 1.00 0.00 N ATOM 503 CA ASP A 33 -4.263 2.424 -15.209 1.00 0.00 C ATOM 504 C ASP A 33 -2.895 2.660 -14.535 1.00 0.00 C ATOM 505 O ASP A 33 -2.792 2.650 -13.308 1.00 0.00 O ATOM 506 CB ASP A 33 -4.858 3.757 -15.715 1.00 0.00 C ATOM 507 CG ASP A 33 -4.093 4.377 -16.886 1.00 0.00 C ATOM 508 OD1 ASP A 33 -4.118 3.786 -17.989 1.00 0.00 O ATOM 509 OD2 ASP A 33 -3.465 5.451 -16.716 1.00 0.00 O ATOM 0 H ASP A 33 -5.432 2.444 -13.495 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.080 1.738 -16.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.892 3.590 -16.018 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.879 4.470 -14.890 1.00 0.00 H new ATOM 514 N SER A 34 -1.858 2.969 -15.321 1.00 0.00 N ATOM 515 CA SER A 34 -0.557 3.463 -14.836 1.00 0.00 C ATOM 516 C SER A 34 -0.684 4.781 -14.045 1.00 0.00 C ATOM 517 O SER A 34 0.073 5.026 -13.105 1.00 0.00 O ATOM 518 CB SER A 34 0.380 3.627 -16.044 1.00 0.00 C ATOM 519 OG SER A 34 1.747 3.575 -15.678 1.00 0.00 O ATOM 0 H SER A 34 -1.897 2.882 -16.337 1.00 0.00 H new ATOM 0 HA SER A 34 -0.144 2.736 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.171 2.842 -16.771 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.174 4.579 -16.534 1.00 0.00 H new ATOM 0 HG SER A 34 2.304 3.682 -16.477 1.00 0.00 H new ATOM 525 N THR A 35 -1.692 5.605 -14.356 1.00 0.00 N ATOM 526 CA THR A 35 -2.077 6.786 -13.555 1.00 0.00 C ATOM 527 C THR A 35 -2.690 6.382 -12.209 1.00 0.00 C ATOM 528 O THR A 35 -2.377 6.967 -11.175 1.00 0.00 O ATOM 529 CB THR A 35 -3.095 7.642 -14.330 1.00 0.00 C ATOM 530 OG1 THR A 35 -2.647 7.893 -15.648 1.00 0.00 O ATOM 531 CG2 THR A 35 -3.340 8.991 -13.667 1.00 0.00 C ATOM 0 H THR A 35 -2.275 5.473 -15.182 1.00 0.00 H new ATOM 0 HA THR A 35 -1.170 7.360 -13.365 1.00 0.00 H new ATOM 0 HB THR A 35 -4.021 7.067 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.846 7.119 -16.214 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.065 9.557 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.727 8.836 -12.660 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.403 9.546 -13.615 1.00 0.00 H new ATOM 539 N THR A 36 -3.521 5.336 -12.186 1.00 0.00 N ATOM 540 CA THR A 36 -4.099 4.785 -10.954 1.00 0.00 C ATOM 541 C THR A 36 -3.018 4.135 -10.080 1.00 0.00 C ATOM 542 O THR A 36 -3.033 4.288 -8.860 1.00 0.00 O ATOM 543 CB THR A 36 -5.207 3.770 -11.283 1.00 0.00 C ATOM 544 OG1 THR A 36 -5.937 4.136 -12.440 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.221 3.668 -10.153 1.00 0.00 C ATOM 0 H THR A 36 -3.815 4.842 -13.029 1.00 0.00 H new ATOM 0 HA THR A 36 -4.539 5.609 -10.392 1.00 0.00 H new ATOM 0 HB THR A 36 -4.693 2.822 -11.438 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.725 3.559 -12.526 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.990 2.942 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.718 3.347 -9.241 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.682 4.642 -9.989 1.00 0.00 H new ATOM 553 N ALA A 37 -2.015 3.499 -10.697 1.00 0.00 N ATOM 554 CA ALA A 37 -0.828 2.990 -10.013 1.00 0.00 C ATOM 555 C ALA A 37 -0.010 4.118 -9.356 1.00 0.00 C ATOM 556 O ALA A 37 0.418 3.963 -8.215 1.00 0.00 O ATOM 557 CB ALA A 37 0.014 2.185 -11.011 1.00 0.00 C ATOM 0 H ALA A 37 -2.009 3.323 -11.702 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.143 2.337 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.903 1.801 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.575 1.352 -11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.313 2.830 -11.837 1.00 0.00 H new ATOM 563 N GLU A 38 0.144 5.276 -10.007 1.00 0.00 N ATOM 564 CA GLU A 38 0.733 6.476 -9.387 1.00 0.00 C ATOM 565 C GLU A 38 -0.090 6.989 -8.195 1.00 0.00 C ATOM 566 O GLU A 38 0.474 7.254 -7.134 1.00 0.00 O ATOM 567 CB GLU A 38 0.942 7.578 -10.430 1.00 0.00 C ATOM 568 CG GLU A 38 2.240 7.425 -11.231 1.00 0.00 C ATOM 569 CD GLU A 38 3.522 7.458 -10.384 1.00 0.00 C ATOM 570 OE1 GLU A 38 3.622 8.204 -9.380 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.458 6.704 -10.731 1.00 0.00 O ATOM 0 H GLU A 38 -0.135 5.412 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 38 1.706 6.185 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.097 7.580 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.946 8.546 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.205 6.482 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.290 8.222 -11.973 1.00 0.00 H new ATOM 578 N LYS A 39 -1.424 7.039 -8.301 1.00 0.00 N ATOM 579 CA LYS A 39 -2.307 7.405 -7.176 1.00 0.00 C ATOM 580 C LYS A 39 -2.209 6.437 -5.982 1.00 0.00 C ATOM 581 O LYS A 39 -2.318 6.880 -4.837 1.00 0.00 O ATOM 582 CB LYS A 39 -3.745 7.563 -7.688 1.00 0.00 C ATOM 583 CG LYS A 39 -4.102 9.012 -8.062 1.00 0.00 C ATOM 584 CD LYS A 39 -3.224 9.671 -9.140 1.00 0.00 C ATOM 585 CE LYS A 39 -3.704 11.111 -9.350 1.00 0.00 C ATOM 586 NZ LYS A 39 -2.757 11.916 -10.157 1.00 0.00 N ATOM 0 H LYS A 39 -1.925 6.828 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.967 8.362 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.885 6.925 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.437 7.212 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.137 9.033 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.052 9.621 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.178 9.662 -8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.287 9.111 -10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.676 11.098 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.846 11.588 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.129 12.881 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.836 11.954 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.640 11.479 -11.094 1.00 0.00 H new ATOM 600 N MET A 40 -1.923 5.154 -6.221 1.00 0.00 N ATOM 601 CA MET A 40 -1.585 4.175 -5.172 1.00 0.00 C ATOM 602 C MET A 40 -0.173 4.386 -4.599 1.00 0.00 C ATOM 603 O MET A 40 0.025 4.338 -3.386 1.00 0.00 O ATOM 604 CB MET A 40 -1.713 2.747 -5.726 1.00 0.00 C ATOM 605 CG MET A 40 -3.161 2.344 -6.016 1.00 0.00 C ATOM 606 SD MET A 40 -4.225 2.213 -4.552 1.00 0.00 S ATOM 607 CE MET A 40 -5.790 1.789 -5.363 1.00 0.00 C ATOM 0 H MET A 40 -1.918 4.756 -7.160 1.00 0.00 H new ATOM 0 HA MET A 40 -2.291 4.324 -4.355 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.129 2.665 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.283 2.046 -5.010 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.596 3.073 -6.699 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.159 1.384 -6.533 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.569 1.668 -4.610 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.071 2.586 -6.051 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.672 0.857 -5.916 1.00 0.00 H new ATOM 617 N LYS A 41 0.816 4.685 -5.444 1.00 0.00 N ATOM 618 CA LYS A 41 2.195 5.004 -5.053 1.00 0.00 C ATOM 619 C LYS A 41 2.267 6.224 -4.123 1.00 0.00 C ATOM 620 O LYS A 41 2.937 6.182 -3.091 1.00 0.00 O ATOM 621 CB LYS A 41 2.957 5.228 -6.363 1.00 0.00 C ATOM 622 CG LYS A 41 4.436 4.876 -6.272 1.00 0.00 C ATOM 623 CD LYS A 41 5.131 5.076 -7.624 1.00 0.00 C ATOM 624 CE LYS A 41 4.818 3.987 -8.658 1.00 0.00 C ATOM 625 NZ LYS A 41 5.485 4.285 -9.946 1.00 0.00 N ATOM 0 H LYS A 41 0.676 4.713 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 41 2.638 4.193 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.497 4.629 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.858 6.273 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.916 5.498 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.548 3.841 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.837 6.043 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.209 5.111 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.150 3.018 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.740 3.919 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.390 3.469 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.041 5.118 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.493 4.478 -9.778 1.00 0.00 H new ATOM 639 N VAL A 42 1.483 7.260 -4.430 1.00 0.00 N ATOM 640 CA VAL A 42 1.244 8.446 -3.589 1.00 0.00 C ATOM 641 C VAL A 42 0.684 8.076 -2.208 1.00 0.00 C ATOM 642 O VAL A 42 1.088 8.689 -1.220 1.00 0.00 O ATOM 643 CB VAL A 42 0.285 9.407 -4.331 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.354 10.482 -3.441 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.027 10.124 -5.465 1.00 0.00 C ATOM 0 H VAL A 42 0.972 7.301 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 42 2.200 8.940 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.517 8.769 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.010 11.110 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.934 10.003 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.428 11.097 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.342 10.797 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.857 10.697 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.411 9.388 -6.171 1.00 0.00 H new ATOM 655 N HIS A 43 -0.184 7.059 -2.130 1.00 0.00 N ATOM 656 CA HIS A 43 -0.857 6.634 -0.887 1.00 0.00 C ATOM 657 C HIS A 43 0.128 5.939 0.064 1.00 0.00 C ATOM 658 O HIS A 43 0.073 6.115 1.280 1.00 0.00 O ATOM 659 CB HIS A 43 -2.036 5.709 -1.253 1.00 0.00 C ATOM 660 CG HIS A 43 -2.989 5.317 -0.144 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.129 5.890 1.101 1.00 0.00 N ATOM 662 CD2 HIS A 43 -3.939 4.331 -0.232 1.00 0.00 C ATOM 663 CE1 HIS A 43 -4.146 5.282 1.731 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.682 4.321 0.958 1.00 0.00 N ATOM 0 H HIS A 43 -0.445 6.497 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.238 7.509 -0.360 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.615 6.197 -2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.625 4.795 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.089 3.673 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.488 5.531 2.725 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.466 3.711 1.189 1.00 0.00 H new ATOM 672 N ALA A 44 1.079 5.192 -0.503 1.00 0.00 N ATOM 673 CA ALA A 44 2.150 4.538 0.236 1.00 0.00 C ATOM 674 C ALA A 44 3.213 5.534 0.740 1.00 0.00 C ATOM 675 O ALA A 44 3.620 5.487 1.902 1.00 0.00 O ATOM 676 CB ALA A 44 2.771 3.501 -0.699 1.00 0.00 C ATOM 0 H ALA A 44 1.122 5.025 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 44 1.743 4.067 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.581 2.985 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.011 2.778 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.164 3.999 -1.585 1.00 0.00 H new ATOM 682 N LYS A 45 3.635 6.469 -0.124 1.00 0.00 N ATOM 683 CA LYS A 45 4.642 7.503 0.186 1.00 0.00 C ATOM 684 C LYS A 45 4.184 8.462 1.290 1.00 0.00 C ATOM 685 O LYS A 45 5.005 8.912 2.088 1.00 0.00 O ATOM 686 CB LYS A 45 4.985 8.267 -1.104 1.00 0.00 C ATOM 687 CG LYS A 45 5.839 7.413 -2.055 1.00 0.00 C ATOM 688 CD LYS A 45 5.917 8.031 -3.456 1.00 0.00 C ATOM 689 CE LYS A 45 6.832 7.175 -4.333 1.00 0.00 C ATOM 690 NZ LYS A 45 6.893 7.695 -5.716 1.00 0.00 N ATOM 0 H LYS A 45 3.280 6.532 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 45 5.533 7.007 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.065 8.564 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.522 9.182 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.844 7.309 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.417 6.410 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.922 8.090 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.300 9.050 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.834 7.155 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.470 6.147 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.521 7.093 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.939 7.691 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.261 8.668 -5.705 1.00 0.00 H new ATOM 704 N SER A 46 2.883 8.741 1.363 1.00 0.00 N ATOM 705 CA SER A 46 2.265 9.523 2.440 1.00 0.00 C ATOM 706 C SER A 46 2.047 8.725 3.733 1.00 0.00 C ATOM 707 O SER A 46 2.142 9.313 4.814 1.00 0.00 O ATOM 708 CB SER A 46 0.943 10.109 1.940 1.00 0.00 C ATOM 709 OG SER A 46 0.019 9.082 1.659 1.00 0.00 O ATOM 0 H SER A 46 2.213 8.424 0.662 1.00 0.00 H new ATOM 0 HA SER A 46 2.961 10.320 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.530 10.781 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.119 10.703 1.043 1.00 0.00 H new ATOM 0 HG SER A 46 0.154 8.762 0.743 1.00 0.00 H new ATOM 715 N PHE A 47 1.805 7.407 3.650 1.00 0.00 N ATOM 716 CA PHE A 47 1.566 6.542 4.814 1.00 0.00 C ATOM 717 C PHE A 47 2.771 6.477 5.764 1.00 0.00 C ATOM 718 O PHE A 47 2.617 6.775 6.951 1.00 0.00 O ATOM 719 CB PHE A 47 1.134 5.139 4.369 1.00 0.00 C ATOM 720 CG PHE A 47 0.930 4.163 5.517 1.00 0.00 C ATOM 721 CD1 PHE A 47 -0.100 4.377 6.455 1.00 0.00 C ATOM 722 CD2 PHE A 47 1.794 3.061 5.675 1.00 0.00 C ATOM 723 CE1 PHE A 47 -0.259 3.502 7.546 1.00 0.00 C ATOM 724 CE2 PHE A 47 1.630 2.181 6.759 1.00 0.00 C ATOM 725 CZ PHE A 47 0.607 2.404 7.698 1.00 0.00 C ATOM 0 H PHE A 47 1.770 6.907 2.762 1.00 0.00 H new ATOM 0 HA PHE A 47 0.752 6.993 5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.206 5.218 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.887 4.736 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.770 5.216 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.586 2.892 4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.045 3.674 8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.290 1.333 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.486 1.733 8.535 1.00 0.00 H new ATOM 735 N GLU A 48 3.978 6.170 5.260 1.00 0.00 N ATOM 736 CA GLU A 48 5.182 6.148 6.115 1.00 0.00 C ATOM 737 C GLU A 48 5.409 7.493 6.820 1.00 0.00 C ATOM 738 O GLU A 48 5.722 7.521 8.010 1.00 0.00 O ATOM 739 CB GLU A 48 6.469 5.720 5.386 1.00 0.00 C ATOM 740 CG GLU A 48 6.663 6.347 4.004 1.00 0.00 C ATOM 741 CD GLU A 48 8.136 6.642 3.658 1.00 0.00 C ATOM 742 OE1 GLU A 48 8.963 5.714 3.505 1.00 0.00 O ATOM 743 OE2 GLU A 48 8.498 7.840 3.547 1.00 0.00 O ATOM 0 H GLU A 48 4.148 5.937 4.282 1.00 0.00 H new ATOM 0 HA GLU A 48 4.971 5.380 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.325 5.977 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.466 4.635 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.249 5.678 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.094 7.275 3.953 1.00 0.00 H new ATOM 750 N ALA A 49 5.197 8.598 6.097 1.00 0.00 N ATOM 751 CA ALA A 49 5.424 9.960 6.566 1.00 0.00 C ATOM 752 C ALA A 49 4.426 10.427 7.637 1.00 0.00 C ATOM 753 O ALA A 49 4.817 11.154 8.555 1.00 0.00 O ATOM 754 CB ALA A 49 5.378 10.874 5.336 1.00 0.00 C ATOM 0 H ALA A 49 4.851 8.562 5.138 1.00 0.00 H new ATOM 0 HA ALA A 49 6.394 9.999 7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.544 11.906 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.155 10.576 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.403 10.790 4.857 1.00 0.00 H new ATOM 760 N ALA A 50 3.165 9.994 7.550 1.00 0.00 N ATOM 761 CA ALA A 50 2.135 10.317 8.534 1.00 0.00 C ATOM 762 C ALA A 50 2.308 9.485 9.810 1.00 0.00 C ATOM 763 O ALA A 50 2.198 10.010 10.923 1.00 0.00 O ATOM 764 CB ALA A 50 0.761 10.090 7.896 1.00 0.00 C ATOM 0 H ALA A 50 2.830 9.405 6.787 1.00 0.00 H new ATOM 0 HA ALA A 50 2.225 11.362 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.020 10.327 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.654 10.734 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.669 9.047 7.592 1.00 0.00 H new ATOM 770 N LEU A 51 2.647 8.201 9.661 1.00 0.00 N ATOM 771 CA LEU A 51 2.888 7.310 10.789 1.00 0.00 C ATOM 772 C LEU A 51 4.199 7.652 11.525 1.00 0.00 C ATOM 773 O LEU A 51 4.275 7.476 12.737 1.00 0.00 O ATOM 774 CB LEU A 51 2.823 5.860 10.274 1.00 0.00 C ATOM 775 CG LEU A 51 2.690 4.810 11.391 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.375 4.917 12.162 1.00 0.00 C ATOM 777 CD2 LEU A 51 2.791 3.406 10.794 1.00 0.00 C ATOM 0 H LEU A 51 2.761 7.754 8.751 1.00 0.00 H new ATOM 0 HA LEU A 51 2.116 7.440 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.976 5.763 9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.722 5.649 9.695 1.00 0.00 H new ATOM 0 HG LEU A 51 3.502 5.000 12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.343 4.149 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.304 5.901 12.625 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.539 4.777 11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.696 2.665 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.992 3.262 10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.756 3.289 10.302 1.00 0.00 H new ATOM 789 N PHE A 52 5.198 8.211 10.832 1.00 0.00 N ATOM 790 CA PHE A 52 6.452 8.738 11.402 1.00 0.00 C ATOM 791 C PHE A 52 6.235 9.939 12.346 1.00 0.00 C ATOM 792 O PHE A 52 7.005 10.154 13.280 1.00 0.00 O ATOM 793 CB PHE A 52 7.395 9.073 10.233 1.00 0.00 C ATOM 794 CG PHE A 52 8.796 9.569 10.551 1.00 0.00 C ATOM 795 CD1 PHE A 52 9.528 9.075 11.649 1.00 0.00 C ATOM 796 CD2 PHE A 52 9.410 10.475 9.665 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.855 9.490 11.851 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.739 10.886 9.866 1.00 0.00 C ATOM 799 CZ PHE A 52 11.465 10.392 10.962 1.00 0.00 C ATOM 0 H PHE A 52 5.157 8.315 9.818 1.00 0.00 H new ATOM 0 HA PHE A 52 6.903 7.977 12.039 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.492 8.178 9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.907 9.830 9.619 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.069 8.378 12.335 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.854 10.858 8.822 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.411 9.113 12.696 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.201 11.580 9.179 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.487 10.704 11.121 1.00 0.00 H new ATOM 809 N GLU A 53 5.178 10.730 12.144 1.00 0.00 N ATOM 810 CA GLU A 53 4.734 11.711 13.145 1.00 0.00 C ATOM 811 C GLU A 53 4.081 11.037 14.367 1.00 0.00 C ATOM 812 O GLU A 53 4.315 11.451 15.504 1.00 0.00 O ATOM 813 CB GLU A 53 3.767 12.690 12.473 1.00 0.00 C ATOM 814 CG GLU A 53 3.302 13.816 13.406 1.00 0.00 C ATOM 815 CD GLU A 53 2.262 14.699 12.717 1.00 0.00 C ATOM 816 OE1 GLU A 53 1.307 14.155 12.117 1.00 0.00 O ATOM 817 OE2 GLU A 53 2.379 15.945 12.768 1.00 0.00 O ATOM 0 H GLU A 53 4.611 10.712 11.296 1.00 0.00 H new ATOM 0 HA GLU A 53 5.604 12.249 13.522 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.251 13.127 11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.896 12.142 12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.878 13.389 14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.157 14.421 13.707 1.00 0.00 H new ATOM 824 N LYS A 54 3.268 9.992 14.156 1.00 0.00 N ATOM 825 CA LYS A 54 2.456 9.314 15.190 1.00 0.00 C ATOM 826 C LYS A 54 3.169 8.171 15.932 1.00 0.00 C ATOM 827 O LYS A 54 2.568 7.528 16.792 1.00 0.00 O ATOM 828 CB LYS A 54 1.137 8.850 14.550 1.00 0.00 C ATOM 829 CG LYS A 54 0.292 10.061 14.129 1.00 0.00 C ATOM 830 CD LYS A 54 -1.135 9.635 13.737 1.00 0.00 C ATOM 831 CE LYS A 54 -2.057 10.778 13.276 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.371 11.762 14.343 1.00 0.00 N ATOM 0 H LYS A 54 3.150 9.578 13.231 1.00 0.00 H new ATOM 0 HA LYS A 54 2.264 10.043 15.977 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.347 8.225 13.682 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.578 8.237 15.257 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.248 10.779 14.948 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.768 10.565 13.288 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.070 8.897 12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.597 9.139 14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.586 11.298 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.988 10.353 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.995 12.501 13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.848 11.279 15.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.490 12.196 14.686 1.00 0.00 H new ATOM 846 N SER A 55 4.435 7.951 15.603 1.00 0.00 N ATOM 847 CA SER A 55 5.374 6.883 16.013 1.00 0.00 C ATOM 848 C SER A 55 5.743 6.776 17.510 1.00 0.00 C ATOM 849 O SER A 55 6.819 6.282 17.837 1.00 0.00 O ATOM 850 CB SER A 55 6.631 6.927 15.125 1.00 0.00 C ATOM 851 OG SER A 55 7.438 8.069 15.326 1.00 0.00 O ATOM 0 H SER A 55 4.899 8.593 14.960 1.00 0.00 H new ATOM 0 HA SER A 55 4.807 5.965 15.858 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.228 6.035 15.314 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.326 6.890 14.079 1.00 0.00 H new ATOM 0 HG SER A 55 7.245 8.732 14.631 1.00 0.00 H new ATOM 857 N SER A 56 4.914 7.272 18.437 1.00 0.00 N ATOM 858 CA SER A 56 5.309 7.622 19.815 1.00 0.00 C ATOM 859 C SER A 56 5.861 6.444 20.641 1.00 0.00 C ATOM 860 O SER A 56 6.618 6.673 21.589 1.00 0.00 O ATOM 861 CB SER A 56 4.129 8.281 20.540 1.00 0.00 C ATOM 862 OG SER A 56 3.622 9.369 19.781 1.00 0.00 O ATOM 0 H SER A 56 3.927 7.447 18.250 1.00 0.00 H new ATOM 0 HA SER A 56 6.140 8.322 19.723 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.340 7.547 20.705 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.448 8.632 21.521 1.00 0.00 H new ATOM 0 HG SER A 56 2.869 9.777 20.257 1.00 0.00 H new ATOM 868 N SER A 57 5.561 5.203 20.240 1.00 0.00 N ATOM 869 CA SER A 57 6.368 4.007 20.519 1.00 0.00 C ATOM 870 C SER A 57 6.483 3.137 19.258 1.00 0.00 C ATOM 871 O SER A 57 5.509 2.984 18.513 1.00 0.00 O ATOM 872 CB SER A 57 5.782 3.182 21.674 1.00 0.00 C ATOM 873 OG SER A 57 5.782 3.932 22.873 1.00 0.00 O ATOM 0 H SER A 57 4.724 4.996 19.695 1.00 0.00 H new ATOM 0 HA SER A 57 7.361 4.343 20.819 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.764 2.877 21.430 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.365 2.271 21.809 1.00 0.00 H new ATOM 0 HG SER A 57 6.167 4.817 22.705 1.00 0.00 H new ATOM 879 N LYS A 58 7.642 2.497 19.047 1.00 0.00 N ATOM 880 CA LYS A 58 7.893 1.566 17.931 1.00 0.00 C ATOM 881 C LYS A 58 6.943 0.363 17.982 1.00 0.00 C ATOM 882 O LYS A 58 6.495 -0.112 16.941 1.00 0.00 O ATOM 883 CB LYS A 58 9.367 1.114 17.964 1.00 0.00 C ATOM 884 CG LYS A 58 9.822 0.441 16.697 1.00 0.00 C ATOM 885 CD LYS A 58 11.167 -0.282 16.851 1.00 0.00 C ATOM 886 CE LYS A 58 11.724 -0.436 15.440 1.00 0.00 C ATOM 887 NZ LYS A 58 12.476 -1.694 15.232 1.00 0.00 N ATOM 0 H LYS A 58 8.450 2.613 19.659 1.00 0.00 H new ATOM 0 HA LYS A 58 7.700 2.083 16.991 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.000 1.982 18.152 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.509 0.429 18.800 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.064 -0.276 16.381 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.905 1.186 15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.849 0.291 17.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.036 -1.254 17.327 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.901 -0.393 14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.378 0.408 15.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.825 -1.732 14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.282 -1.729 15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.850 -2.506 15.408 1.00 0.00 H new ATOM 901 N GLU A 59 6.567 -0.067 19.186 1.00 0.00 N ATOM 902 CA GLU A 59 5.557 -1.107 19.426 1.00 0.00 C ATOM 903 C GLU A 59 4.197 -0.782 18.764 1.00 0.00 C ATOM 904 O GLU A 59 3.554 -1.678 18.210 1.00 0.00 O ATOM 905 CB GLU A 59 5.412 -1.279 20.951 1.00 0.00 C ATOM 906 CG GLU A 59 4.485 -2.436 21.342 1.00 0.00 C ATOM 907 CD GLU A 59 4.380 -2.578 22.865 1.00 0.00 C ATOM 908 OE1 GLU A 59 3.759 -1.706 23.521 1.00 0.00 O ATOM 909 OE2 GLU A 59 4.926 -3.557 23.429 1.00 0.00 O ATOM 0 H GLU A 59 6.965 0.306 20.048 1.00 0.00 H new ATOM 0 HA GLU A 59 5.887 -2.038 18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.397 -1.448 21.387 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.028 -0.353 21.380 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.494 -2.268 20.921 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.860 -3.365 20.913 1.00 0.00 H new ATOM 916 N GLU A 60 3.768 0.488 18.770 1.00 0.00 N ATOM 917 CA GLU A 60 2.557 0.951 18.071 1.00 0.00 C ATOM 918 C GLU A 60 2.802 1.203 16.573 1.00 0.00 C ATOM 919 O GLU A 60 1.952 0.847 15.753 1.00 0.00 O ATOM 920 CB GLU A 60 1.992 2.227 18.718 1.00 0.00 C ATOM 921 CG GLU A 60 1.586 2.107 20.193 1.00 0.00 C ATOM 922 CD GLU A 60 0.437 1.120 20.442 1.00 0.00 C ATOM 923 OE1 GLU A 60 -0.722 1.432 20.059 1.00 0.00 O ATOM 924 OE2 GLU A 60 0.652 0.061 21.082 1.00 0.00 O ATOM 0 H GLU A 60 4.257 1.233 19.266 1.00 0.00 H new ATOM 0 HA GLU A 60 1.829 0.146 18.164 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.738 3.017 18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.121 2.546 18.146 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.453 1.794 20.774 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.294 3.091 20.561 1.00 0.00 H new ATOM 931 N TYR A 61 3.962 1.759 16.185 1.00 0.00 N ATOM 932 CA TYR A 61 4.317 1.958 14.769 1.00 0.00 C ATOM 933 C TYR A 61 4.271 0.625 14.009 1.00 0.00 C ATOM 934 O TYR A 61 3.579 0.502 13.001 1.00 0.00 O ATOM 935 CB TYR A 61 5.704 2.621 14.636 1.00 0.00 C ATOM 936 CG TYR A 61 6.097 2.996 13.208 1.00 0.00 C ATOM 937 CD1 TYR A 61 6.636 2.031 12.331 1.00 0.00 C ATOM 938 CD2 TYR A 61 5.901 4.312 12.744 1.00 0.00 C ATOM 939 CE1 TYR A 61 6.926 2.369 10.993 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.199 4.658 11.409 1.00 0.00 C ATOM 941 CZ TYR A 61 6.690 3.678 10.525 1.00 0.00 C ATOM 942 OH TYR A 61 6.903 3.997 9.222 1.00 0.00 O ATOM 0 H TYR A 61 4.676 2.081 16.839 1.00 0.00 H new ATOM 0 HA TYR A 61 3.582 2.629 14.325 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.722 3.520 15.252 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.456 1.943 15.039 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.827 1.029 12.686 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.518 5.064 13.418 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.330 1.623 10.325 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.051 5.671 11.066 1.00 0.00 H new ATOM 0 HH TYR A 61 6.688 4.942 9.077 1.00 0.00 H new ATOM 952 N GLN A 62 4.936 -0.409 14.531 1.00 0.00 N ATOM 953 CA GLN A 62 5.026 -1.719 13.882 1.00 0.00 C ATOM 954 C GLN A 62 3.704 -2.511 13.943 1.00 0.00 C ATOM 955 O GLN A 62 3.385 -3.231 12.991 1.00 0.00 O ATOM 956 CB GLN A 62 6.220 -2.504 14.445 1.00 0.00 C ATOM 957 CG GLN A 62 7.551 -1.779 14.178 1.00 0.00 C ATOM 958 CD GLN A 62 8.767 -2.576 14.629 1.00 0.00 C ATOM 959 OE1 GLN A 62 9.664 -2.873 13.855 1.00 0.00 O ATOM 960 NE2 GLN A 62 8.889 -2.923 15.889 1.00 0.00 N ATOM 0 H GLN A 62 5.430 -0.360 15.422 1.00 0.00 H new ATOM 0 HA GLN A 62 5.203 -1.556 12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.090 -2.645 15.518 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.249 -3.496 13.995 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.636 -1.570 13.112 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.543 -0.818 14.692 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.154 -2.687 16.556 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.718 -3.428 16.201 1.00 0.00 H new ATOM 969 N LYS A 63 2.875 -2.328 14.986 1.00 0.00 N ATOM 970 CA LYS A 63 1.477 -2.804 14.994 1.00 0.00 C ATOM 971 C LYS A 63 0.683 -2.178 13.847 1.00 0.00 C ATOM 972 O LYS A 63 -0.026 -2.879 13.126 1.00 0.00 O ATOM 973 CB LYS A 63 0.830 -2.491 16.360 1.00 0.00 C ATOM 974 CG LYS A 63 -0.613 -3.007 16.480 1.00 0.00 C ATOM 975 CD LYS A 63 -1.176 -2.744 17.885 1.00 0.00 C ATOM 976 CE LYS A 63 -2.629 -3.219 17.969 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.239 -2.904 19.282 1.00 0.00 N ATOM 0 H LYS A 63 3.151 -1.849 15.843 1.00 0.00 H new ATOM 0 HA LYS A 63 1.468 -3.884 14.844 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.434 -2.935 17.151 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.838 -1.413 16.520 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.241 -2.518 15.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.640 -4.076 16.268 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.572 -3.263 18.630 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.120 -1.680 18.114 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.211 -2.749 17.176 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.670 -4.295 17.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.222 -3.242 19.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.699 -3.373 20.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.224 -1.875 19.434 1.00 0.00 H new ATOM 991 N THR A 64 0.832 -0.870 13.641 1.00 0.00 N ATOM 992 CA THR A 64 0.051 -0.097 12.663 1.00 0.00 C ATOM 993 C THR A 64 0.508 -0.326 11.222 1.00 0.00 C ATOM 994 O THR A 64 -0.341 -0.481 10.342 1.00 0.00 O ATOM 995 CB THR A 64 0.090 1.401 13.011 1.00 0.00 C ATOM 996 OG1 THR A 64 -0.235 1.587 14.369 1.00 0.00 O ATOM 997 CG2 THR A 64 -0.938 2.213 12.231 1.00 0.00 C ATOM 0 H THR A 64 1.508 -0.304 14.154 1.00 0.00 H new ATOM 0 HA THR A 64 -0.976 -0.456 12.725 1.00 0.00 H new ATOM 0 HB THR A 64 1.098 1.736 12.766 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.558 1.422 14.921 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.865 3.262 12.517 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.746 2.114 11.163 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.939 1.844 12.455 1.00 0.00 H new ATOM 1005 N MET A 65 1.822 -0.429 10.980 1.00 0.00 N ATOM 1006 CA MET A 65 2.401 -0.678 9.653 1.00 0.00 C ATOM 1007 C MET A 65 2.003 -2.062 9.111 1.00 0.00 C ATOM 1008 O MET A 65 1.586 -2.183 7.959 1.00 0.00 O ATOM 1009 CB MET A 65 3.928 -0.441 9.691 1.00 0.00 C ATOM 1010 CG MET A 65 4.780 -1.664 10.058 1.00 0.00 C ATOM 1011 SD MET A 65 6.548 -1.322 10.262 1.00 0.00 S ATOM 1012 CE MET A 65 7.157 -3.021 10.457 1.00 0.00 C ATOM 0 H MET A 65 2.525 -0.340 11.714 1.00 0.00 H new ATOM 0 HA MET A 65 1.986 0.035 8.941 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.246 -0.079 8.713 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.137 0.353 10.408 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.397 -2.091 10.985 1.00 0.00 H new ATOM 0 HG3 MET A 65 4.657 -2.421 9.283 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.238 -3.006 10.595 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.686 -3.479 11.327 1.00 0.00 H new ATOM 0 HE3 MET A 65 6.913 -3.600 9.566 1.00 0.00 H new ATOM 1022 N LYS A 66 2.020 -3.089 9.978 1.00 0.00 N ATOM 1023 CA LYS A 66 1.483 -4.426 9.689 1.00 0.00 C ATOM 1024 C LYS A 66 -0.027 -4.345 9.489 1.00 0.00 C ATOM 1025 O LYS A 66 -0.516 -4.819 8.473 1.00 0.00 O ATOM 1026 CB LYS A 66 1.898 -5.382 10.827 1.00 0.00 C ATOM 1027 CG LYS A 66 1.674 -6.895 10.621 1.00 0.00 C ATOM 1028 CD LYS A 66 0.210 -7.315 10.411 1.00 0.00 C ATOM 1029 CE LYS A 66 -0.046 -8.775 10.812 1.00 0.00 C ATOM 1030 NZ LYS A 66 -1.497 -9.101 10.825 1.00 0.00 N ATOM 0 H LYS A 66 2.415 -3.010 10.915 1.00 0.00 H new ATOM 0 HA LYS A 66 1.894 -4.823 8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.958 -5.225 11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.359 -5.084 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.256 -7.218 9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.067 -7.426 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.439 -6.662 10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.058 -7.177 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.469 -9.438 10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.376 -8.959 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.632 -10.069 11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.998 -8.431 11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.877 -9.032 9.859 1.00 0.00 H new ATOM 1044 N SER A 67 -0.781 -3.703 10.386 1.00 0.00 N ATOM 1045 CA SER A 67 -2.239 -3.691 10.319 1.00 0.00 C ATOM 1046 C SER A 67 -2.804 -2.956 9.098 1.00 0.00 C ATOM 1047 O SER A 67 -3.879 -3.332 8.628 1.00 0.00 O ATOM 1048 CB SER A 67 -2.773 -3.102 11.619 1.00 0.00 C ATOM 1049 OG SER A 67 -2.440 -3.955 12.699 1.00 0.00 O ATOM 0 H SER A 67 -0.397 -3.181 11.174 1.00 0.00 H new ATOM 0 HA SER A 67 -2.575 -4.721 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.350 -2.111 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.855 -2.981 11.558 1.00 0.00 H new ATOM 0 HG SER A 67 -1.540 -3.740 13.020 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.089 -1.972 8.526 1.00 0.00 N ATOM 1056 CA LYS A 68 -2.503 -1.323 7.269 1.00 0.00 C ATOM 1057 C LYS A 68 -2.248 -2.210 6.048 1.00 0.00 C ATOM 1058 O LYS A 68 -3.147 -2.380 5.227 1.00 0.00 O ATOM 1059 CB LYS A 68 -1.851 0.065 7.125 1.00 0.00 C ATOM 1060 CG LYS A 68 -2.603 0.989 6.145 1.00 0.00 C ATOM 1061 CD LYS A 68 -4.007 1.338 6.663 1.00 0.00 C ATOM 1062 CE LYS A 68 -4.681 2.469 5.886 1.00 0.00 C ATOM 1063 NZ LYS A 68 -5.972 2.804 6.524 1.00 0.00 N ATOM 0 H LYS A 68 -1.219 -1.608 8.915 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.582 -1.176 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.807 0.542 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.823 -0.057 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.031 1.905 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.684 0.502 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.635 0.449 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.938 1.621 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.035 3.346 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.842 2.168 4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.431 3.573 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.588 1.966 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.806 3.108 7.505 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.079 -2.860 5.986 1.00 0.00 N ATOM 1078 CA ILE A 69 -0.812 -3.942 5.023 1.00 0.00 C ATOM 1079 C ILE A 69 -1.854 -5.060 5.166 1.00 0.00 C ATOM 1080 O ILE A 69 -2.316 -5.595 4.163 1.00 0.00 O ATOM 1081 CB ILE A 69 0.641 -4.459 5.189 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.610 -3.418 4.584 1.00 0.00 C ATOM 1083 CG2 ILE A 69 0.852 -5.848 4.557 1.00 0.00 C ATOM 1084 CD1 ILE A 69 3.089 -3.814 4.618 1.00 0.00 C ATOM 0 H ILE A 69 -0.291 -2.653 6.600 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.903 -3.554 4.009 1.00 0.00 H new ATOM 0 HB ILE A 69 0.843 -4.582 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.322 -3.235 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.489 -2.477 5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.886 -6.161 4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.185 -6.568 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.635 -5.799 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.688 -3.021 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.401 -3.967 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.232 -4.737 4.055 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.282 -5.376 6.388 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.284 -6.402 6.670 1.00 0.00 C ATOM 1098 C ASP A 70 -4.674 -6.044 6.134 1.00 0.00 C ATOM 1099 O ASP A 70 -5.319 -6.879 5.496 1.00 0.00 O ATOM 1100 CB ASP A 70 -3.333 -6.660 8.179 1.00 0.00 C ATOM 1101 CG ASP A 70 -3.889 -8.041 8.451 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -5.130 -8.202 8.547 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -3.061 -8.974 8.533 1.00 0.00 O ATOM 0 H ASP A 70 -1.933 -4.915 7.228 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.984 -7.310 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.333 -6.572 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.954 -5.907 8.665 1.00 0.00 H new ATOM 1108 N ALA A 71 -5.115 -4.796 6.324 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.345 -4.284 5.722 1.00 0.00 C ATOM 1110 C ALA A 71 -6.273 -4.348 4.188 1.00 0.00 C ATOM 1111 O ALA A 71 -7.186 -4.867 3.551 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.592 -2.856 6.226 1.00 0.00 C ATOM 0 H ALA A 71 -4.626 -4.113 6.902 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.187 -4.908 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.508 -2.467 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.691 -2.865 7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.753 -2.220 5.944 1.00 0.00 H new ATOM 1118 N MET A 72 -5.154 -3.929 3.590 1.00 0.00 N ATOM 1119 CA MET A 72 -4.965 -3.941 2.134 1.00 0.00 C ATOM 1120 C MET A 72 -4.861 -5.367 1.556 1.00 0.00 C ATOM 1121 O MET A 72 -5.469 -5.648 0.521 1.00 0.00 O ATOM 1122 CB MET A 72 -3.752 -3.068 1.781 1.00 0.00 C ATOM 1123 CG MET A 72 -4.010 -1.589 2.096 1.00 0.00 C ATOM 1124 SD MET A 72 -2.545 -0.537 1.940 1.00 0.00 S ATOM 1125 CE MET A 72 -3.316 1.089 2.160 1.00 0.00 C ATOM 0 H MET A 72 -4.349 -3.570 4.104 1.00 0.00 H new ATOM 0 HA MET A 72 -5.852 -3.517 1.663 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.881 -3.413 2.338 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.518 -3.180 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.786 -1.216 1.427 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.398 -1.507 3.111 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.553 1.820 2.429 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.797 1.392 1.230 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.062 1.034 2.953 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.200 -6.312 2.245 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.229 -7.756 1.922 1.00 0.00 C ATOM 1137 C ARG A 73 -5.653 -8.320 1.995 1.00 0.00 C ATOM 1138 O ARG A 73 -6.046 -9.116 1.142 1.00 0.00 O ATOM 1139 CB ARG A 73 -3.334 -8.556 2.893 1.00 0.00 C ATOM 1140 CG ARG A 73 -1.860 -8.634 2.464 1.00 0.00 C ATOM 1141 CD ARG A 73 -1.111 -9.747 3.222 1.00 0.00 C ATOM 1142 NE ARG A 73 -0.666 -9.343 4.570 1.00 0.00 N ATOM 1143 CZ ARG A 73 -1.331 -9.458 5.707 1.00 0.00 C ATOM 1144 NH1 ARG A 73 -2.495 -10.026 5.827 1.00 0.00 N ATOM 1145 NH2 ARG A 73 -0.860 -8.974 6.811 1.00 0.00 N ATOM 0 H ARG A 73 -3.620 -6.095 3.056 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.854 -7.858 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.390 -8.101 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.729 -9.568 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.801 -8.819 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.375 -7.676 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.761 -10.618 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.243 -10.053 2.638 1.00 0.00 H new ATOM 0 HE ARG A 73 0.263 -8.926 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.957 -10.421 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.946 -10.076 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.040 -8.493 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.388 -9.073 7.678 1.00 0.00 H new ATOM 1159 N SER A 74 -6.428 -7.891 2.989 1.00 0.00 N ATOM 1160 CA SER A 74 -7.839 -8.276 3.155 1.00 0.00 C ATOM 1161 C SER A 74 -8.724 -7.701 2.031 1.00 0.00 C ATOM 1162 O SER A 74 -9.590 -8.410 1.514 1.00 0.00 O ATOM 1163 CB SER A 74 -8.359 -7.868 4.543 1.00 0.00 C ATOM 1164 OG SER A 74 -7.504 -8.325 5.583 1.00 0.00 O ATOM 0 H SER A 74 -6.094 -7.257 3.715 1.00 0.00 H new ATOM 0 HA SER A 74 -7.895 -9.362 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.445 -6.783 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.360 -8.275 4.690 1.00 0.00 H new ATOM 0 HG SER A 74 -6.668 -7.815 5.567 1.00 0.00 H new ATOM 1170 N THR A 75 -8.443 -6.477 1.562 1.00 0.00 N ATOM 1171 CA THR A 75 -9.088 -5.860 0.387 1.00 0.00 C ATOM 1172 C THR A 75 -8.727 -6.584 -0.916 1.00 0.00 C ATOM 1173 O THR A 75 -9.620 -6.858 -1.714 1.00 0.00 O ATOM 1174 CB THR A 75 -8.734 -4.365 0.271 1.00 0.00 C ATOM 1175 OG1 THR A 75 -9.074 -3.690 1.459 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.506 -3.664 -0.846 1.00 0.00 C ATOM 0 H THR A 75 -7.746 -5.872 1.996 1.00 0.00 H new ATOM 0 HA THR A 75 -10.163 -5.955 0.540 1.00 0.00 H new ATOM 0 HB THR A 75 -7.664 -4.330 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.498 -4.001 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.218 -2.613 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.275 -4.138 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.576 -3.740 -0.652 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.462 -6.981 -1.119 1.00 0.00 N ATOM 1185 CA ARG A 76 -6.987 -7.821 -2.246 1.00 0.00 C ATOM 1186 C ARG A 76 -7.822 -9.097 -2.420 1.00 0.00 C ATOM 1187 O ARG A 76 -8.138 -9.500 -3.538 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.493 -8.104 -2.009 1.00 0.00 C ATOM 1189 CG ARG A 76 -5.029 -9.484 -2.464 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.508 -9.574 -2.482 1.00 0.00 C ATOM 1191 NE ARG A 76 -3.091 -10.983 -2.393 1.00 0.00 N ATOM 1192 CZ ARG A 76 -3.158 -11.900 -3.336 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -3.325 -11.627 -4.595 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -3.079 -13.149 -2.992 1.00 0.00 N ATOM 0 H ARG A 76 -6.708 -6.720 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.113 -7.291 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.906 -7.348 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.280 -7.996 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.433 -10.245 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.420 -9.692 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.119 -9.127 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.091 -9.008 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.706 -11.284 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.412 -10.657 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.369 -12.382 -5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.968 -13.401 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.128 -13.878 -3.704 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.190 -9.706 -1.300 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.052 -10.891 -1.230 1.00 0.00 C ATOM 1210 C ASP A 77 -10.525 -10.546 -1.552 1.00 0.00 C ATOM 1211 O ASP A 77 -11.178 -11.248 -2.325 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.840 -11.530 0.153 1.00 0.00 C ATOM 1213 CG ASP A 77 -9.812 -12.662 0.471 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -9.780 -13.707 -0.217 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -10.621 -12.503 1.419 1.00 0.00 O ATOM 0 H ASP A 77 -7.889 -9.382 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.783 -11.621 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.821 -11.913 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.935 -10.758 0.917 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.037 -9.404 -1.070 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.396 -8.911 -1.382 1.00 0.00 C ATOM 1222 C LYS A 78 -12.614 -8.630 -2.856 1.00 0.00 C ATOM 1223 O LYS A 78 -13.542 -9.144 -3.481 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.660 -7.630 -0.570 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.157 -7.382 -0.328 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.383 -6.154 0.568 1.00 0.00 C ATOM 1227 CE LYS A 78 -15.858 -6.016 0.957 1.00 0.00 C ATOM 1228 NZ LYS A 78 -16.701 -5.498 -0.146 1.00 0.00 N ATOM 0 H LYS A 78 -10.518 -8.787 -0.446 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.095 -9.703 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.147 -7.700 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.235 -6.776 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.662 -7.236 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.603 -8.261 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.773 -6.240 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.056 -5.255 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.238 -6.988 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.941 -5.349 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.684 -5.809 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.664 -4.459 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.347 -5.862 -1.054 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.684 -7.879 -3.437 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.666 -7.559 -4.875 1.00 0.00 C ATOM 1244 C ARG A 79 -11.609 -8.810 -5.763 1.00 0.00 C ATOM 1245 O ARG A 79 -11.987 -8.723 -6.932 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.523 -6.575 -5.193 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.617 -5.230 -4.451 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.879 -4.411 -4.757 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.957 -3.236 -3.869 1.00 0.00 N ATOM 1250 CZ ARG A 79 -12.720 -3.070 -2.805 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -13.694 -3.865 -2.476 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -12.487 -2.058 -2.028 1.00 0.00 N ATOM 0 H ARG A 79 -10.907 -7.466 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.613 -7.073 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.573 -7.048 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.512 -6.384 -6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.575 -5.419 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.742 -4.630 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.867 -4.088 -5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.765 -5.033 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.346 -2.455 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.908 -4.677 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.245 -3.677 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.728 -1.412 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.063 -1.908 -1.199 1.00 0.00 H new ATOM 1266 N LYS A 80 -11.229 -9.982 -5.225 1.00 0.00 N ATOM 1267 CA LYS A 80 -11.276 -11.259 -5.965 1.00 0.00 C ATOM 1268 C LYS A 80 -12.694 -11.831 -6.042 1.00 0.00 C ATOM 1269 O LYS A 80 -13.128 -12.245 -7.115 1.00 0.00 O ATOM 1270 CB LYS A 80 -10.272 -12.253 -5.367 1.00 0.00 C ATOM 1271 CG LYS A 80 -10.108 -13.505 -6.246 1.00 0.00 C ATOM 1272 CD LYS A 80 -9.071 -14.498 -5.702 1.00 0.00 C ATOM 1273 CE LYS A 80 -9.430 -14.966 -4.287 1.00 0.00 C ATOM 1274 NZ LYS A 80 -8.562 -16.073 -3.838 1.00 0.00 N ATOM 0 H LYS A 80 -10.882 -10.073 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.982 -11.067 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.305 -11.764 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.604 -12.549 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.071 -14.008 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.816 -13.199 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.007 -15.360 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.087 -14.029 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.340 -14.130 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.471 -15.288 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.836 -16.361 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.667 -16.881 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.571 -15.758 -3.835 1.00 0.00 H new ATOM 1288 N ARG A 81 -13.465 -11.771 -4.951 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.894 -12.153 -4.929 1.00 0.00 C ATOM 1290 C ARG A 81 -15.724 -11.251 -5.819 1.00 0.00 C ATOM 1291 O ARG A 81 -16.547 -11.721 -6.603 1.00 0.00 O ATOM 1292 CB ARG A 81 -15.452 -12.136 -3.498 1.00 0.00 C ATOM 1293 CG ARG A 81 -15.102 -13.415 -2.730 1.00 0.00 C ATOM 1294 CD ARG A 81 -15.645 -13.355 -1.296 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.911 -12.388 -0.462 1.00 0.00 N ATOM 1296 CZ ARG A 81 -13.705 -12.549 0.052 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -12.976 -13.610 -0.137 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -13.173 -11.635 0.800 1.00 0.00 N ATOM 0 H ARG A 81 -13.118 -11.454 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.958 -13.170 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.055 -11.273 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.535 -12.019 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.519 -14.280 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.020 -13.547 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.700 -13.083 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.581 -14.345 -0.843 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.381 -11.505 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.330 -14.376 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.051 -13.675 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.686 -10.776 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.241 -11.774 1.190 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.409 -9.971 -5.754 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.005 -8.922 -6.583 1.00 0.00 C ATOM 1314 C GLU A 82 -15.579 -9.008 -8.059 1.00 0.00 C ATOM 1315 O GLU A 82 -16.256 -8.427 -8.907 1.00 0.00 O ATOM 1316 CB GLU A 82 -15.694 -7.540 -5.981 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.334 -7.374 -4.592 1.00 0.00 C ATOM 1318 CD GLU A 82 -16.038 -6.037 -3.902 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -15.202 -5.226 -4.370 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -16.665 -5.785 -2.847 1.00 0.00 O ATOM 0 H GLU A 82 -14.709 -9.614 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.084 -9.075 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.615 -7.410 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.062 -6.760 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.414 -7.485 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.987 -8.183 -3.949 1.00 0.00 H new ATOM 1327 N SER A 83 -14.517 -9.755 -8.402 1.00 0.00 N ATOM 1328 CA SER A 83 -14.143 -10.014 -9.809 1.00 0.00 C ATOM 1329 C SER A 83 -14.699 -11.343 -10.340 1.00 0.00 C ATOM 1330 O SER A 83 -15.301 -11.359 -11.419 1.00 0.00 O ATOM 1331 CB SER A 83 -12.625 -9.913 -10.011 1.00 0.00 C ATOM 1332 OG SER A 83 -12.313 -9.951 -11.397 1.00 0.00 O ATOM 0 H SER A 83 -13.896 -10.194 -7.722 1.00 0.00 H new ATOM 0 HA SER A 83 -14.612 -9.230 -10.404 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.253 -8.987 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.126 -10.734 -9.495 1.00 0.00 H new ATOM 0 HG SER A 83 -11.343 -9.884 -11.516 1.00 0.00 H new ATOM 1338 N VAL A 84 -14.532 -12.442 -9.593 1.00 0.00 N ATOM 1339 CA VAL A 84 -14.752 -13.828 -10.073 1.00 0.00 C ATOM 1340 C VAL A 84 -15.427 -14.778 -9.067 1.00 0.00 C ATOM 1341 O VAL A 84 -15.577 -15.967 -9.355 1.00 0.00 O ATOM 1342 CB VAL A 84 -13.438 -14.459 -10.599 1.00 0.00 C ATOM 1343 CG1 VAL A 84 -12.876 -13.700 -11.805 1.00 0.00 C ATOM 1344 CG2 VAL A 84 -12.344 -14.552 -9.525 1.00 0.00 C ATOM 0 H VAL A 84 -14.235 -12.400 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 84 -15.466 -13.713 -10.889 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.715 -15.469 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.955 -14.178 -12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.606 -13.712 -12.615 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.667 -12.669 -11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.449 -15.002 -9.955 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -12.107 -13.553 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.698 -15.167 -8.698 1.00 0.00 H new ATOM 1354 N GLY A 85 -15.843 -14.307 -7.885 1.00 0.00 N ATOM 1355 CA GLY A 85 -16.670 -15.088 -6.943 1.00 0.00 C ATOM 1356 C GLY A 85 -16.049 -16.385 -6.390 1.00 0.00 C ATOM 1357 O GLY A 85 -16.789 -17.324 -6.084 1.00 0.00 O ATOM 0 H GLY A 85 -15.617 -13.371 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.924 -14.446 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.605 -15.344 -7.442 1.00 0.00 H new ATOM 1361 N SER A 86 -14.715 -16.477 -6.305 1.00 0.00 N ATOM 1362 CA SER A 86 -13.972 -17.693 -5.910 1.00 0.00 C ATOM 1363 C SER A 86 -13.860 -17.889 -4.399 1.00 0.00 C ATOM 1364 O SER A 86 -13.225 -17.029 -3.748 1.00 0.00 O ATOM 1365 CB SER A 86 -12.588 -17.683 -6.561 1.00 0.00 C ATOM 1366 OG SER A 86 -11.849 -16.655 -5.936 1.00 0.00 O ATOM 1367 OXT SER A 86 -14.314 -18.941 -3.891 1.00 0.00 O ATOM 0 H SER A 86 -14.101 -15.689 -6.514 1.00 0.00 H new ATOM 0 HA SER A 86 -14.550 -18.544 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.094 -18.646 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.667 -17.505 -7.633 1.00 0.00 H new ATOM 0 HG SER A 86 -12.322 -16.355 -5.132 1.00 0.00 H new TER 1373 SER A 86