USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -3.54! C(o=-9.3!,f=-15!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -5.8! C(o=-9.3!,f=-13!) USER MOD Set 2.1: A 19 HIS :FLIP no HD1:sc= -9.26! C(o=-12!,f=-11!) USER MOD Set 2.2: A 71 TYR OH : rot -150:sc= -1.52! USER MOD Set 3.1: A 31 GLN : amide:sc= -2.77 K(o=-8.6,f=-11!) USER MOD Set 3.2: A 32 THR OG1 : rot -150:sc= -0.703 USER MOD Set 3.3: A 89 GLN : amide:sc= -5.17 K(o=-8.6,f=-14!) USER MOD Set 4.1: A 10 MET CE :methyl -172:sc= -2.32 (180deg=-2.5) USER MOD Set 4.2: A 70 MET CE :methyl 146:sc= -0.612 (180deg=-0.712) USER MOD Set 5.1: A 6 THR OG1 : rot -50:sc= -0.695 USER MOD Set 5.2: A 38 HIS : no HE2:sc= -2.24 K(o=-2.9,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0242 (180deg=-0.442) USER MOD Single : A 2 THR OG1 : rot 39:sc= 0.537 USER MOD Single : A 4 ASN : amide:sc= -0.492 K(o=-0.49,f=-3.5!) USER MOD Single : A 7 SER OG : rot -120:sc= -2.94! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.48 X(o=-3.5,f=-4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.443 (180deg=-1.62!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.52! C(o=-4.5!,f=-11!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -6.9! C(o=-6.9!,f=-9.9!) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0418) USER MOD Single : A 46 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.8!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 130:sc= 0.017 USER MOD Single : A 60 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.9!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00346 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0627 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= -0.165 (180deg=-0.981) USER MOD Single : A 84 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0085) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0.437 (180deg=0.434) USER MOD Single : A 92 SER OG : rot 80:sc= 0.554 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.743 -3.554 -9.509 1.00 0.00 N ATOM 2 CA MET A 1 5.962 -4.434 -8.601 1.00 0.00 C ATOM 3 C MET A 1 4.463 -4.197 -8.760 1.00 0.00 C ATOM 4 O MET A 1 3.893 -3.318 -8.114 1.00 0.00 O ATOM 5 CB MET A 1 6.391 -4.152 -7.160 1.00 0.00 C ATOM 6 CG MET A 1 7.899 -4.115 -6.969 1.00 0.00 C ATOM 7 SD MET A 1 8.709 -5.622 -7.540 1.00 0.00 S ATOM 8 CE MET A 1 9.586 -6.117 -6.060 1.00 0.00 C ATOM 0 H1 MET A 1 7.702 -3.939 -9.626 1.00 0.00 H new ATOM 0 H2 MET A 1 6.274 -3.507 -10.436 1.00 0.00 H new ATOM 0 H3 MET A 1 6.801 -2.599 -9.102 1.00 0.00 H new ATOM 0 HA MET A 1 6.159 -5.476 -8.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.970 -3.197 -6.845 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.969 -4.917 -6.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.309 -3.261 -7.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.124 -3.964 -5.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.137 -7.037 -6.254 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.283 -5.331 -5.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.872 -6.285 -5.253 1.00 0.00 H new ATOM 20 N THR A 2 3.830 -4.987 -9.622 1.00 0.00 N ATOM 21 CA THR A 2 2.398 -4.860 -9.862 1.00 0.00 C ATOM 22 C THR A 2 1.598 -5.338 -8.655 1.00 0.00 C ATOM 23 O THR A 2 1.635 -6.515 -8.298 1.00 0.00 O ATOM 24 CB THR A 2 1.990 -5.653 -11.103 1.00 0.00 C ATOM 25 OG1 THR A 2 2.298 -7.026 -10.944 1.00 0.00 O ATOM 26 CG2 THR A 2 2.667 -5.174 -12.369 1.00 0.00 C ATOM 0 H THR A 2 4.286 -5.720 -10.165 1.00 0.00 H new ATOM 0 HA THR A 2 2.179 -3.805 -10.027 1.00 0.00 H new ATOM 0 HB THR A 2 0.916 -5.498 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.112 -7.298 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.333 -5.779 -13.212 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.409 -4.130 -12.547 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.748 -5.267 -12.261 1.00 0.00 H new ATOM 31 N LEU A 3 0.881 -4.412 -8.030 1.00 0.00 N ATOM 32 CA LEU A 3 0.075 -4.727 -6.858 1.00 0.00 C ATOM 33 C LEU A 3 -1.214 -5.449 -7.236 1.00 0.00 C ATOM 34 O LEU A 3 -1.951 -5.022 -8.124 1.00 0.00 O ATOM 35 CB LEU A 3 -0.228 -3.452 -6.064 1.00 0.00 C ATOM 36 CG LEU A 3 -1.348 -2.551 -6.608 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.226 -2.367 -8.112 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.722 -3.102 -6.246 1.00 0.00 C ATOM 0 H LEU A 3 0.842 -3.434 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 3 0.652 -5.404 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.487 -3.739 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.686 -2.861 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.239 -1.574 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.032 -1.725 -8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.266 -1.906 -8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.292 -3.337 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.494 -2.444 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.839 -4.098 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.817 -3.159 -5.162 1.00 0.00 H new ATOM 44 N ASN A 4 -1.470 -6.558 -6.555 1.00 0.00 N ATOM 45 CA ASN A 4 -2.661 -7.356 -6.814 1.00 0.00 C ATOM 46 C ASN A 4 -3.813 -6.959 -5.897 1.00 0.00 C ATOM 47 O ASN A 4 -3.611 -6.354 -4.841 1.00 0.00 O ATOM 48 CB ASN A 4 -2.349 -8.837 -6.627 1.00 0.00 C ATOM 49 CG ASN A 4 -1.088 -9.262 -7.355 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.486 -8.477 -8.087 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.683 -10.511 -7.157 1.00 0.00 N ATOM 0 H ASN A 4 -0.868 -6.926 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.966 -7.170 -7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.240 -9.050 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.190 -9.430 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.158 -10.854 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.213 -11.128 -6.541 1.00 0.00 H new ATOM 56 N ILE A 5 -5.024 -7.318 -6.309 1.00 0.00 N ATOM 57 CA ILE A 5 -6.221 -7.019 -5.536 1.00 0.00 C ATOM 58 C ILE A 5 -7.110 -8.255 -5.418 1.00 0.00 C ATOM 59 O ILE A 5 -7.145 -9.092 -6.320 1.00 0.00 O ATOM 60 CB ILE A 5 -7.037 -5.873 -6.169 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.135 -4.699 -6.550 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.112 -5.402 -5.203 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.289 -4.922 -7.775 1.00 0.00 C ATOM 0 H ILE A 5 -5.202 -7.819 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.890 -6.707 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.506 -6.254 -7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.757 -3.819 -6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.479 -4.476 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.682 -4.593 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.781 -6.231 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.645 -5.044 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.684 -4.036 -7.966 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.636 -5.780 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.934 -5.112 -8.633 1.00 0.00 H new ATOM 67 N THR A 6 -7.827 -8.367 -4.303 1.00 0.00 N ATOM 68 CA THR A 6 -8.712 -9.508 -4.077 1.00 0.00 C ATOM 69 C THR A 6 -10.177 -9.107 -4.233 1.00 0.00 C ATOM 70 O THR A 6 -10.841 -9.510 -5.188 1.00 0.00 O ATOM 71 CB THR A 6 -8.479 -10.099 -2.685 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.103 -10.075 -2.354 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.956 -11.529 -2.555 1.00 0.00 C ATOM 0 H THR A 6 -7.814 -7.685 -3.544 1.00 0.00 H new ATOM 0 HA THR A 6 -8.480 -10.263 -4.828 1.00 0.00 H new ATOM 0 HB THR A 6 -9.060 -9.475 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.583 -10.459 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.761 -11.887 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.026 -11.575 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.425 -12.156 -3.271 1.00 0.00 H new ATOM 78 N SER A 7 -10.674 -8.311 -3.291 1.00 0.00 N ATOM 79 CA SER A 7 -12.061 -7.853 -3.322 1.00 0.00 C ATOM 80 C SER A 7 -13.030 -9.004 -3.077 1.00 0.00 C ATOM 81 O SER A 7 -13.339 -9.775 -3.986 1.00 0.00 O ATOM 82 CB SER A 7 -12.373 -7.184 -4.661 1.00 0.00 C ATOM 83 OG SER A 7 -11.290 -6.382 -5.091 1.00 0.00 O ATOM 0 H SER A 7 -10.136 -7.969 -2.495 1.00 0.00 H new ATOM 0 HA SER A 7 -12.188 -7.125 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.587 -7.945 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.269 -6.571 -4.565 1.00 0.00 H new ATOM 0 HG SER A 7 -11.588 -5.453 -5.185 1.00 0.00 H new ATOM 89 N LYS A 8 -13.504 -9.115 -1.840 1.00 0.00 N ATOM 90 CA LYS A 8 -14.437 -10.173 -1.471 1.00 0.00 C ATOM 91 C LYS A 8 -15.762 -10.037 -2.225 1.00 0.00 C ATOM 92 O LYS A 8 -16.304 -11.024 -2.723 1.00 0.00 O ATOM 93 CB LYS A 8 -14.673 -10.170 0.046 1.00 0.00 C ATOM 94 CG LYS A 8 -15.835 -9.298 0.500 1.00 0.00 C ATOM 95 CD LYS A 8 -15.867 -9.155 2.014 1.00 0.00 C ATOM 96 CE LYS A 8 -17.192 -8.586 2.492 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.558 -9.092 3.845 1.00 0.00 N ATOM 0 H LYS A 8 -13.257 -8.485 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.993 -11.127 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.852 -11.193 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.764 -9.830 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.752 -8.312 0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.773 -9.732 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.700 -10.128 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.053 -8.505 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.133 -7.498 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.977 -8.847 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.468 -8.680 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.640 -10.128 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.822 -8.821 4.528 1.00 0.00 H new ATOM 111 N GLN A 9 -16.283 -8.814 -2.302 1.00 0.00 N ATOM 112 CA GLN A 9 -17.546 -8.566 -2.993 1.00 0.00 C ATOM 113 C GLN A 9 -17.360 -7.608 -4.172 1.00 0.00 C ATOM 114 O GLN A 9 -17.121 -8.044 -5.298 1.00 0.00 O ATOM 115 CB GLN A 9 -18.595 -8.019 -2.018 1.00 0.00 C ATOM 116 CG GLN A 9 -18.026 -7.111 -0.938 1.00 0.00 C ATOM 117 CD GLN A 9 -19.075 -6.191 -0.348 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.670 -5.376 -1.053 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.311 -6.319 0.952 1.00 0.00 N ATOM 0 H GLN A 9 -15.852 -7.983 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.899 -9.518 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.347 -7.467 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.105 -8.857 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.593 -7.721 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.217 -6.513 -1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.794 -7.008 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.009 -5.728 1.404 1.00 0.00 H new ATOM 126 N MET A 10 -17.474 -6.303 -3.913 1.00 0.00 N ATOM 127 CA MET A 10 -17.323 -5.293 -4.956 1.00 0.00 C ATOM 128 C MET A 10 -16.109 -5.580 -5.831 1.00 0.00 C ATOM 129 O MET A 10 -14.968 -5.446 -5.388 1.00 0.00 O ATOM 130 CB MET A 10 -17.193 -3.905 -4.335 1.00 0.00 C ATOM 131 CG MET A 10 -16.101 -3.807 -3.286 1.00 0.00 C ATOM 132 SD MET A 10 -16.487 -2.617 -1.991 1.00 0.00 S ATOM 133 CE MET A 10 -14.840 -2.073 -1.561 1.00 0.00 C ATOM 0 H MET A 10 -17.671 -5.923 -2.987 1.00 0.00 H new ATOM 0 HA MET A 10 -18.214 -5.326 -5.583 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.993 -3.181 -5.124 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.145 -3.628 -3.883 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.945 -4.788 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.165 -3.524 -3.767 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.886 -1.439 -0.676 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.213 -2.940 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.415 -1.508 -2.391 1.00 0.00 H new ATOM 143 N ASP A 11 -16.359 -5.982 -7.071 1.00 0.00 N ATOM 144 CA ASP A 11 -15.282 -6.296 -7.999 1.00 0.00 C ATOM 145 C ASP A 11 -14.357 -5.098 -8.195 1.00 0.00 C ATOM 146 O ASP A 11 -14.554 -4.044 -7.591 1.00 0.00 O ATOM 147 CB ASP A 11 -15.852 -6.745 -9.345 1.00 0.00 C ATOM 148 CG ASP A 11 -16.901 -7.828 -9.196 1.00 0.00 C ATOM 149 OD1 ASP A 11 -18.069 -7.489 -8.910 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.556 -9.017 -9.364 1.00 0.00 O ATOM 0 H ASP A 11 -17.296 -6.098 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.698 -7.111 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.290 -5.887 -9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.042 -7.112 -9.975 1.00 0.00 H new ATOM 155 N ILE A 12 -13.346 -5.267 -9.045 1.00 0.00 N ATOM 156 CA ILE A 12 -12.393 -4.194 -9.317 1.00 0.00 C ATOM 157 C ILE A 12 -12.760 -3.458 -10.601 1.00 0.00 C ATOM 158 O ILE A 12 -13.218 -4.063 -11.571 1.00 0.00 O ATOM 159 CB ILE A 12 -10.927 -4.699 -9.432 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.826 -6.208 -9.177 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.022 -3.943 -8.464 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.296 -6.625 -7.801 1.00 0.00 C ATOM 0 H ILE A 12 -13.166 -6.132 -9.555 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.451 -3.519 -8.463 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.596 -4.508 -10.453 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.415 -6.735 -9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.790 -6.521 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.000 -4.310 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.048 -2.879 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.370 -4.099 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.195 -7.705 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.691 -6.127 -7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.341 -6.344 -7.673 1.00 0.00 H new ATOM 166 N THR A 13 -12.552 -2.150 -10.594 1.00 0.00 N ATOM 167 CA THR A 13 -12.850 -1.311 -11.747 1.00 0.00 C ATOM 168 C THR A 13 -11.790 -0.220 -11.890 1.00 0.00 C ATOM 169 O THR A 13 -10.984 -0.012 -10.984 1.00 0.00 O ATOM 170 CB THR A 13 -14.246 -0.689 -11.612 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.174 0.600 -11.025 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.201 -1.517 -10.777 1.00 0.00 C ATOM 0 H THR A 13 -12.174 -1.642 -9.794 1.00 0.00 H new ATOM 0 HA THR A 13 -12.837 -1.931 -12.643 1.00 0.00 H new ATOM 0 HB THR A 13 -14.630 -0.639 -12.631 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.076 0.977 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.168 -1.016 -10.725 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.325 -2.499 -11.233 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.798 -1.633 -9.771 1.00 0.00 H new ATOM 177 N PRO A 14 -11.772 0.490 -13.032 1.00 0.00 N ATOM 178 CA PRO A 14 -10.800 1.556 -13.290 1.00 0.00 C ATOM 179 C PRO A 14 -10.490 2.404 -12.058 1.00 0.00 C ATOM 180 O PRO A 14 -9.346 2.805 -11.844 1.00 0.00 O ATOM 181 CB PRO A 14 -11.507 2.392 -14.348 1.00 0.00 C ATOM 182 CG PRO A 14 -12.297 1.402 -15.134 1.00 0.00 C ATOM 183 CD PRO A 14 -12.696 0.311 -14.169 1.00 0.00 C ATOM 0 HA PRO A 14 -9.830 1.161 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.152 3.145 -13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.793 2.922 -14.979 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.177 1.870 -15.576 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.705 0.997 -15.955 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.736 0.412 -13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.592 -0.677 -14.617 1.00 0.00 H new ATOM 191 N ALA A 15 -11.510 2.675 -11.251 1.00 0.00 N ATOM 192 CA ALA A 15 -11.334 3.477 -10.045 1.00 0.00 C ATOM 193 C ALA A 15 -10.346 2.819 -9.088 1.00 0.00 C ATOM 194 O ALA A 15 -9.170 3.179 -9.057 1.00 0.00 O ATOM 195 CB ALA A 15 -12.672 3.707 -9.360 1.00 0.00 C ATOM 0 H ALA A 15 -12.465 2.352 -11.409 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.924 4.443 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.523 4.307 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.343 4.232 -10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.110 2.747 -9.086 1.00 0.00 H new ATOM 201 N ILE A 16 -10.824 1.848 -8.310 1.00 0.00 N ATOM 202 CA ILE A 16 -9.967 1.145 -7.361 1.00 0.00 C ATOM 203 C ILE A 16 -8.682 0.689 -8.036 1.00 0.00 C ATOM 204 O ILE A 16 -7.592 1.032 -7.591 1.00 0.00 O ATOM 205 CB ILE A 16 -10.666 -0.070 -6.718 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.643 -0.731 -7.699 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.369 0.349 -5.437 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.068 -0.226 -7.606 1.00 0.00 C ATOM 0 H ILE A 16 -11.794 1.533 -8.319 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.737 1.855 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.908 -0.812 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.281 -0.572 -8.715 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.641 -1.807 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.859 -0.516 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.638 0.753 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.114 1.111 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.687 -0.748 -8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.454 -0.410 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.089 0.844 -7.812 1.00 0.00 H new ATOM 212 N ARG A 17 -8.811 -0.058 -9.134 1.00 0.00 N ATOM 213 CA ARG A 17 -7.640 -0.524 -9.876 1.00 0.00 C ATOM 214 C ARG A 17 -6.603 0.591 -9.947 1.00 0.00 C ATOM 215 O ARG A 17 -5.513 0.495 -9.378 1.00 0.00 O ATOM 216 CB ARG A 17 -8.038 -0.927 -11.295 1.00 0.00 C ATOM 217 CG ARG A 17 -9.159 -1.947 -11.358 1.00 0.00 C ATOM 218 CD ARG A 17 -8.635 -3.348 -11.631 1.00 0.00 C ATOM 219 NE ARG A 17 -9.407 -4.024 -12.672 1.00 0.00 N ATOM 220 CZ ARG A 17 -9.454 -5.346 -12.823 1.00 0.00 C ATOM 221 NH1 ARG A 17 -8.773 -6.141 -12.006 1.00 0.00 N ATOM 222 NH2 ARG A 17 -10.184 -5.875 -13.795 1.00 0.00 N ATOM 0 H ARG A 17 -9.706 -0.351 -9.526 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.221 -1.389 -9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.342 -0.035 -11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.164 -1.332 -11.805 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.708 -1.942 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.864 -1.664 -12.140 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.589 -3.292 -11.933 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.671 -3.935 -10.713 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.942 -3.448 -13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.209 -5.740 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.814 -7.153 -12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.709 -5.269 -14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.221 -6.888 -13.912 1.00 0.00 H new ATOM 236 N GLU A 18 -6.981 1.662 -10.635 1.00 0.00 N ATOM 237 CA GLU A 18 -6.125 2.835 -10.784 1.00 0.00 C ATOM 238 C GLU A 18 -5.693 3.364 -9.418 1.00 0.00 C ATOM 239 O GLU A 18 -4.533 3.725 -9.219 1.00 0.00 O ATOM 240 CB GLU A 18 -6.865 3.930 -11.558 1.00 0.00 C ATOM 241 CG GLU A 18 -6.060 5.208 -11.731 1.00 0.00 C ATOM 242 CD GLU A 18 -6.919 6.387 -12.143 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.093 6.598 -13.362 1.00 0.00 O ATOM 244 OE2 GLU A 18 -7.419 7.099 -11.247 1.00 0.00 O ATOM 0 H GLU A 18 -7.884 1.743 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.234 2.543 -11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.137 3.547 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.794 4.164 -11.039 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.552 5.443 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.286 5.047 -12.482 1.00 0.00 H new ATOM 251 N HIS A 19 -6.633 3.394 -8.477 1.00 0.00 N ATOM 252 CA HIS A 19 -6.355 3.860 -7.127 1.00 0.00 C ATOM 253 C HIS A 19 -5.289 2.977 -6.490 1.00 0.00 C ATOM 254 O HIS A 19 -4.150 3.396 -6.301 1.00 0.00 O ATOM 255 CB HIS A 19 -7.641 3.820 -6.305 1.00 0.00 C ATOM 256 CG HIS A 19 -7.671 4.765 -5.159 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.243 4.627 -3.955 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.096 6.018 -5.175 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.016 5.786 -3.254 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.320 6.612 -4.015 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.598 3.099 -8.629 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.986 4.885 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.483 4.038 -6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.785 2.807 -5.928 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.550 6.446 -6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.351 5.989 -2.247 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.009 7.547 -3.753 1.00 0.00 H new ATOM 269 N LEU A 20 -5.675 1.741 -6.191 1.00 0.00 N ATOM 270 CA LEU A 20 -4.775 0.750 -5.606 1.00 0.00 C ATOM 271 C LEU A 20 -3.401 0.800 -6.275 1.00 0.00 C ATOM 272 O LEU A 20 -2.369 0.920 -5.603 1.00 0.00 O ATOM 273 CB LEU A 20 -5.400 -0.635 -5.756 1.00 0.00 C ATOM 274 CG LEU A 20 -6.883 -0.693 -5.362 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.471 -2.071 -5.586 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.065 -0.256 -3.919 1.00 0.00 C ATOM 0 H LEU A 20 -6.622 1.396 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.632 0.971 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.296 -0.960 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.843 -1.343 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.425 -0.002 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.521 -2.070 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.387 -2.336 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.929 -2.800 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.122 -0.303 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.498 -0.918 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.706 0.766 -3.800 1.00 0.00 H new ATOM 282 N GLU A 21 -3.396 0.734 -7.606 1.00 0.00 N ATOM 283 CA GLU A 21 -2.151 0.795 -8.362 1.00 0.00 C ATOM 284 C GLU A 21 -1.437 2.112 -8.087 1.00 0.00 C ATOM 285 O GLU A 21 -0.283 2.126 -7.656 1.00 0.00 O ATOM 286 CB GLU A 21 -2.422 0.637 -9.860 1.00 0.00 C ATOM 287 CG GLU A 21 -3.163 -0.643 -10.213 1.00 0.00 C ATOM 288 CD GLU A 21 -3.954 -0.524 -11.501 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.228 0.618 -11.927 1.00 0.00 O ATOM 290 OE2 GLU A 21 -4.300 -1.573 -12.085 1.00 0.00 O ATOM 0 H GLU A 21 -4.235 0.639 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.509 -0.026 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.003 1.491 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.473 0.657 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.447 -1.459 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.839 -0.903 -9.399 1.00 0.00 H new ATOM 297 N GLU A 22 -2.136 3.221 -8.318 1.00 0.00 N ATOM 298 CA GLU A 22 -1.567 4.541 -8.070 1.00 0.00 C ATOM 299 C GLU A 22 -1.045 4.627 -6.638 1.00 0.00 C ATOM 300 O GLU A 22 0.008 5.212 -6.382 1.00 0.00 O ATOM 301 CB GLU A 22 -2.612 5.634 -8.314 1.00 0.00 C ATOM 302 CG GLU A 22 -2.082 7.041 -8.095 1.00 0.00 C ATOM 303 CD GLU A 22 -2.537 7.638 -6.777 1.00 0.00 C ATOM 304 OE1 GLU A 22 -2.742 6.867 -5.816 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.690 8.875 -6.707 1.00 0.00 O ATOM 0 H GLU A 22 -3.092 3.231 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.738 4.694 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.983 5.549 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.462 5.467 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.993 7.023 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.413 7.681 -8.913 1.00 0.00 H new ATOM 312 N ARG A 23 -1.786 4.022 -5.711 1.00 0.00 N ATOM 313 CA ARG A 23 -1.398 4.009 -4.309 1.00 0.00 C ATOM 314 C ARG A 23 -0.044 3.335 -4.148 1.00 0.00 C ATOM 315 O ARG A 23 0.891 3.921 -3.598 1.00 0.00 O ATOM 316 CB ARG A 23 -2.448 3.290 -3.464 1.00 0.00 C ATOM 317 CG ARG A 23 -3.669 4.142 -3.161 1.00 0.00 C ATOM 318 CD ARG A 23 -3.284 5.491 -2.573 1.00 0.00 C ATOM 319 NE ARG A 23 -4.314 6.012 -1.676 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.412 7.292 -1.323 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.544 8.184 -1.785 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.380 7.681 -0.505 1.00 0.00 N ATOM 0 H ARG A 23 -2.660 3.535 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.325 5.040 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.765 2.386 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.993 2.974 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.242 4.294 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.317 3.613 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.345 5.394 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.113 6.203 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.998 5.356 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.797 7.890 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.624 9.163 -1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.049 7.000 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.456 8.661 -0.234 1.00 0.00 H new ATOM 336 N LEU A 24 0.069 2.104 -4.649 1.00 0.00 N ATOM 337 CA LEU A 24 1.334 1.384 -4.566 1.00 0.00 C ATOM 338 C LEU A 24 2.423 2.177 -5.274 1.00 0.00 C ATOM 339 O LEU A 24 3.524 2.350 -4.749 1.00 0.00 O ATOM 340 CB LEU A 24 1.223 -0.011 -5.180 1.00 0.00 C ATOM 341 CG LEU A 24 2.250 -1.017 -4.652 1.00 0.00 C ATOM 342 CD1 LEU A 24 1.624 -1.922 -3.602 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.837 -1.837 -5.792 1.00 0.00 C ATOM 0 H LEU A 24 -0.686 1.595 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 24 1.590 1.268 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.222 -0.399 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.335 0.071 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 24 3.061 -0.461 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.370 -2.629 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.262 -1.318 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.790 -2.468 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.564 -2.545 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.039 -2.381 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.329 -1.173 -6.502 1.00 0.00 H new ATOM 349 N ALA A 25 2.095 2.681 -6.462 1.00 0.00 N ATOM 350 CA ALA A 25 3.035 3.482 -7.231 1.00 0.00 C ATOM 351 C ALA A 25 3.502 4.668 -6.399 1.00 0.00 C ATOM 352 O ALA A 25 4.646 5.109 -6.505 1.00 0.00 O ATOM 353 CB ALA A 25 2.397 3.955 -8.529 1.00 0.00 C ATOM 0 H ALA A 25 1.188 2.548 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 25 3.899 2.868 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.115 4.553 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.099 3.092 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.519 4.560 -8.303 1.00 0.00 H new ATOM 359 N LYS A 26 2.604 5.164 -5.550 1.00 0.00 N ATOM 360 CA LYS A 26 2.917 6.281 -4.673 1.00 0.00 C ATOM 361 C LYS A 26 3.788 5.802 -3.520 1.00 0.00 C ATOM 362 O LYS A 26 4.723 6.488 -3.105 1.00 0.00 O ATOM 363 CB LYS A 26 1.634 6.919 -4.137 1.00 0.00 C ATOM 364 CG LYS A 26 1.840 8.315 -3.572 1.00 0.00 C ATOM 365 CD LYS A 26 1.862 9.365 -4.672 1.00 0.00 C ATOM 366 CE LYS A 26 3.283 9.781 -5.018 1.00 0.00 C ATOM 367 NZ LYS A 26 4.067 10.145 -3.805 1.00 0.00 N ATOM 0 H LYS A 26 1.654 4.807 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 26 3.462 7.033 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.898 6.966 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.217 6.279 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.042 8.544 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.777 8.349 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.370 8.972 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.293 10.239 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.782 8.966 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.256 10.630 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.811 10.824 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.435 10.575 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.503 9.290 -3.404 1.00 0.00 H new ATOM 381 N LEU A 27 3.486 4.606 -3.017 1.00 0.00 N ATOM 382 CA LEU A 27 4.257 4.023 -1.925 1.00 0.00 C ATOM 383 C LEU A 27 5.614 3.530 -2.429 1.00 0.00 C ATOM 384 O LEU A 27 6.482 3.162 -1.639 1.00 0.00 O ATOM 385 CB LEU A 27 3.483 2.876 -1.254 1.00 0.00 C ATOM 386 CG LEU A 27 2.801 3.243 0.069 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.276 1.996 0.765 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.760 3.998 0.983 1.00 0.00 C ATOM 0 H LEU A 27 2.716 4.025 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 27 4.425 4.800 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.725 2.514 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.171 2.050 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 27 1.957 3.896 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.795 2.277 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.551 1.498 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.104 1.318 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.253 4.248 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.627 3.373 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.086 4.914 0.491 1.00 0.00 H new ATOM 394 N GLY A 28 5.792 3.528 -3.750 1.00 0.00 N ATOM 395 CA GLY A 28 7.045 3.083 -4.331 1.00 0.00 C ATOM 396 C GLY A 28 8.219 3.957 -3.932 1.00 0.00 C ATOM 397 O GLY A 28 9.343 3.472 -3.803 1.00 0.00 O ATOM 0 H GLY A 28 5.089 3.827 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.240 2.056 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.955 3.076 -5.417 1.00 0.00 H new ATOM 401 N LYS A 29 7.963 5.247 -3.738 1.00 0.00 N ATOM 402 CA LYS A 29 9.017 6.182 -3.354 1.00 0.00 C ATOM 403 C LYS A 29 9.469 5.956 -1.912 1.00 0.00 C ATOM 404 O LYS A 29 10.470 6.521 -1.471 1.00 0.00 O ATOM 405 CB LYS A 29 8.550 7.631 -3.539 1.00 0.00 C ATOM 406 CG LYS A 29 7.496 8.089 -2.537 1.00 0.00 C ATOM 407 CD LYS A 29 7.842 9.445 -1.938 1.00 0.00 C ATOM 408 CE LYS A 29 7.872 9.394 -0.418 1.00 0.00 C ATOM 409 NZ LYS A 29 8.046 10.746 0.181 1.00 0.00 N ATOM 0 H LYS A 29 7.040 5.668 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 29 9.870 5.999 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.415 8.290 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.149 7.744 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.525 8.146 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.406 7.351 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.813 9.771 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.111 10.185 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.946 8.951 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.686 8.746 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.061 10.667 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.942 11.159 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.256 11.358 -0.108 1.00 0.00 H new ATOM 423 N TRP A 30 8.731 5.125 -1.182 1.00 0.00 N ATOM 424 CA TRP A 30 9.059 4.824 0.202 1.00 0.00 C ATOM 425 C TRP A 30 10.155 3.766 0.282 1.00 0.00 C ATOM 426 O TRP A 30 9.879 2.581 0.112 1.00 0.00 O ATOM 427 CB TRP A 30 7.813 4.348 0.943 1.00 0.00 C ATOM 428 CG TRP A 30 6.907 5.468 1.353 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.985 6.113 0.581 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.850 6.078 2.640 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.350 7.084 1.320 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.868 7.082 2.590 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.536 5.867 3.831 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.558 7.874 3.695 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.232 6.651 4.923 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.251 7.644 4.850 1.00 0.00 C ATOM 0 H TRP A 30 7.899 4.648 -1.530 1.00 0.00 H new ATOM 0 HA TRP A 30 9.428 5.735 0.674 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.261 3.657 0.306 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.116 3.791 1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.784 5.893 -0.457 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.615 7.704 0.979 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.295 5.101 3.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.799 8.640 3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.761 6.495 5.852 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.036 8.241 5.724 1.00 0.00 H new ATOM 447 N GLN A 31 11.394 4.213 0.524 1.00 0.00 N ATOM 448 CA GLN A 31 12.567 3.328 0.617 1.00 0.00 C ATOM 449 C GLN A 31 12.215 1.924 1.113 1.00 0.00 C ATOM 450 O GLN A 31 12.514 1.557 2.249 1.00 0.00 O ATOM 451 CB GLN A 31 13.631 3.948 1.531 1.00 0.00 C ATOM 452 CG GLN A 31 13.129 4.304 2.924 1.00 0.00 C ATOM 453 CD GLN A 31 12.217 5.515 2.924 1.00 0.00 C ATOM 454 OE1 GLN A 31 11.107 5.471 3.455 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.682 6.606 2.327 1.00 0.00 N ATOM 0 H GLN A 31 11.614 5.200 0.661 1.00 0.00 H new ATOM 0 HA GLN A 31 12.960 3.224 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.464 3.251 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.021 4.849 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.594 3.451 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.982 4.496 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.608 6.598 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.113 7.452 2.296 1.00 0.00 H new ATOM 462 N THR A 32 11.577 1.147 0.246 1.00 0.00 N ATOM 463 CA THR A 32 11.176 -0.208 0.565 1.00 0.00 C ATOM 464 C THR A 32 10.954 -0.998 -0.725 1.00 0.00 C ATOM 465 O THR A 32 10.850 -0.420 -1.807 1.00 0.00 O ATOM 466 CB THR A 32 9.902 -0.173 1.422 1.00 0.00 C ATOM 467 OG1 THR A 32 10.225 0.056 2.780 1.00 0.00 O ATOM 468 CG2 THR A 32 9.075 -1.439 1.364 1.00 0.00 C ATOM 0 H THR A 32 11.325 1.443 -0.697 1.00 0.00 H new ATOM 0 HA THR A 32 11.961 -0.705 1.134 1.00 0.00 H new ATOM 0 HB THR A 32 9.308 0.637 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.556 -0.374 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.195 -1.328 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.762 -1.622 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.672 -2.280 1.717 1.00 0.00 H new ATOM 473 N GLN A 33 10.864 -2.313 -0.599 1.00 0.00 N ATOM 474 CA GLN A 33 10.632 -3.182 -1.740 1.00 0.00 C ATOM 475 C GLN A 33 9.436 -4.055 -1.447 1.00 0.00 C ATOM 476 O GLN A 33 9.545 -5.088 -0.786 1.00 0.00 O ATOM 477 CB GLN A 33 11.854 -4.044 -2.048 1.00 0.00 C ATOM 478 CG GLN A 33 12.622 -4.494 -0.817 1.00 0.00 C ATOM 479 CD GLN A 33 13.632 -3.456 -0.355 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.425 -2.255 -0.528 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.733 -3.911 0.233 1.00 0.00 N ATOM 0 H GLN A 33 10.949 -2.804 0.291 1.00 0.00 H new ATOM 0 HA GLN A 33 10.442 -2.566 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.533 -4.924 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.526 -3.483 -2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.920 -4.699 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.139 -5.428 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.867 -4.914 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.444 -3.257 0.560 1.00 0.00 H new ATOM 488 N LEU A 34 8.288 -3.606 -1.908 1.00 0.00 N ATOM 489 CA LEU A 34 7.046 -4.307 -1.666 1.00 0.00 C ATOM 490 C LEU A 34 7.109 -5.756 -2.125 1.00 0.00 C ATOM 491 O LEU A 34 6.823 -6.067 -3.281 1.00 0.00 O ATOM 492 CB LEU A 34 5.885 -3.588 -2.354 1.00 0.00 C ATOM 493 CG LEU A 34 5.873 -2.060 -2.218 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.568 -1.611 -0.936 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.523 -1.419 -3.435 1.00 0.00 C ATOM 0 H LEU A 34 8.190 -2.752 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 34 6.881 -4.310 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.903 -3.840 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.950 -3.977 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 34 4.835 -1.733 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.542 -0.523 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.055 -2.039 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.604 -1.949 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.508 -0.335 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.554 -1.761 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.973 -1.701 -4.332 1.00 0.00 H new ATOM 501 N ILE A 35 7.465 -6.639 -1.203 1.00 0.00 N ATOM 502 CA ILE A 35 7.542 -8.058 -1.502 1.00 0.00 C ATOM 503 C ILE A 35 6.153 -8.602 -1.801 1.00 0.00 C ATOM 504 O ILE A 35 5.461 -9.092 -0.909 1.00 0.00 O ATOM 505 CB ILE A 35 8.159 -8.840 -0.333 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.618 -8.415 -0.144 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.052 -10.343 -0.581 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.388 -9.326 0.774 1.00 0.00 C ATOM 0 H ILE A 35 7.705 -6.396 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 35 8.182 -8.183 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 35 7.610 -8.614 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.111 -8.389 -1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.645 -7.401 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.494 -10.882 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.003 -10.622 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.583 -10.599 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.414 -8.969 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.918 -9.333 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.391 -10.337 0.366 1.00 0.00 H new ATOM 512 N SER A 36 5.746 -8.505 -3.059 1.00 0.00 N ATOM 513 CA SER A 36 4.430 -8.981 -3.469 1.00 0.00 C ATOM 514 C SER A 36 3.334 -8.261 -2.688 1.00 0.00 C ATOM 515 O SER A 36 2.981 -8.654 -1.576 1.00 0.00 O ATOM 516 CB SER A 36 4.336 -10.492 -3.253 1.00 0.00 C ATOM 517 OG SER A 36 2.989 -10.930 -3.270 1.00 0.00 O ATOM 0 H SER A 36 6.305 -8.103 -3.812 1.00 0.00 H new ATOM 0 HA SER A 36 4.291 -8.766 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.899 -11.009 -4.030 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.794 -10.755 -2.300 1.00 0.00 H new ATOM 0 HG SER A 36 2.959 -11.900 -3.131 1.00 0.00 H new ATOM 523 N PRO A 37 2.800 -7.175 -3.267 1.00 0.00 N ATOM 524 CA PRO A 37 1.765 -6.359 -2.652 1.00 0.00 C ATOM 525 C PRO A 37 0.349 -6.721 -3.100 1.00 0.00 C ATOM 526 O PRO A 37 0.076 -6.869 -4.293 1.00 0.00 O ATOM 527 CB PRO A 37 2.134 -4.966 -3.151 1.00 0.00 C ATOM 528 CG PRO A 37 2.790 -5.183 -4.485 1.00 0.00 C ATOM 529 CD PRO A 37 3.188 -6.632 -4.571 1.00 0.00 C ATOM 0 HA PRO A 37 1.737 -6.479 -1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.250 -4.335 -3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.810 -4.466 -2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.106 -4.926 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.664 -4.540 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.674 -7.141 -5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.257 -6.744 -4.750 1.00 0.00 H new ATOM 537 N HIS A 38 -0.549 -6.843 -2.127 1.00 0.00 N ATOM 538 CA HIS A 38 -1.942 -7.165 -2.392 1.00 0.00 C ATOM 539 C HIS A 38 -2.858 -6.097 -1.830 1.00 0.00 C ATOM 540 O HIS A 38 -2.418 -5.184 -1.132 1.00 0.00 O ATOM 541 CB HIS A 38 -2.312 -8.501 -1.764 1.00 0.00 C ATOM 542 CG HIS A 38 -3.131 -9.372 -2.651 1.00 0.00 C ATOM 543 ND1 HIS A 38 -2.574 -10.280 -3.516 1.00 0.00 N ATOM 544 CD2 HIS A 38 -4.470 -9.477 -2.798 1.00 0.00 C ATOM 545 CE1 HIS A 38 -3.537 -10.914 -4.163 1.00 0.00 C ATOM 546 NE2 HIS A 38 -4.698 -10.444 -3.744 1.00 0.00 N ATOM 0 H HIS A 38 -0.330 -6.722 -1.138 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.066 -7.219 -3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.399 -9.030 -1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.861 -8.319 -0.840 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -1.574 -10.441 -3.640 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.220 -8.907 -2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.398 -11.684 -4.907 1.00 0.00 H new ATOM 555 N PHE A 39 -4.138 -6.238 -2.121 1.00 0.00 N ATOM 556 CA PHE A 39 -5.131 -5.304 -1.626 1.00 0.00 C ATOM 557 C PHE A 39 -6.486 -5.980 -1.457 1.00 0.00 C ATOM 558 O PHE A 39 -7.122 -6.375 -2.430 1.00 0.00 O ATOM 559 CB PHE A 39 -5.246 -4.096 -2.550 1.00 0.00 C ATOM 560 CG PHE A 39 -4.681 -2.839 -1.952 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.314 -2.616 -1.925 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.523 -1.883 -1.407 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.798 -1.461 -1.366 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.014 -0.729 -0.846 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.650 -0.517 -0.825 1.00 0.00 C ATOM 0 H PHE A 39 -4.514 -6.991 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.803 -4.958 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.728 -4.311 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.295 -3.934 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.644 -3.352 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.591 -2.043 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.731 -1.297 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.682 0.007 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.249 0.385 -0.387 1.00 0.00 H new ATOM 575 N VAL A 40 -6.924 -6.102 -0.210 1.00 0.00 N ATOM 576 CA VAL A 40 -8.199 -6.711 0.095 1.00 0.00 C ATOM 577 C VAL A 40 -9.274 -5.634 0.187 1.00 0.00 C ATOM 578 O VAL A 40 -9.273 -4.814 1.107 1.00 0.00 O ATOM 579 CB VAL A 40 -8.124 -7.501 1.412 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.454 -8.160 1.714 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.010 -8.538 1.344 1.00 0.00 C ATOM 0 H VAL A 40 -6.405 -5.782 0.608 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.455 -7.406 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.898 -6.807 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.381 -8.714 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.226 -7.396 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.713 -8.844 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.969 -9.090 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.207 -9.230 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.057 -8.037 1.175 1.00 0.00 H new ATOM 585 N LEU A 41 -10.169 -5.628 -0.791 1.00 0.00 N ATOM 586 CA LEU A 41 -11.236 -4.634 -0.850 1.00 0.00 C ATOM 587 C LEU A 41 -12.570 -5.208 -0.381 1.00 0.00 C ATOM 588 O LEU A 41 -12.965 -6.295 -0.796 1.00 0.00 O ATOM 589 CB LEU A 41 -11.389 -4.116 -2.290 1.00 0.00 C ATOM 590 CG LEU A 41 -10.928 -2.679 -2.546 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.533 -2.162 -3.842 1.00 0.00 C ATOM 592 CD2 LEU A 41 -11.294 -1.769 -1.382 1.00 0.00 C ATOM 0 H LEU A 41 -10.179 -6.301 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.961 -3.817 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.831 -4.778 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.439 -4.194 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.842 -2.678 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.200 -1.139 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.213 -2.794 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.620 -2.182 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.954 -0.755 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.376 -1.768 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.815 -2.131 -0.472 1.00 0.00 H new ATOM 598 N ASN A 42 -13.280 -4.464 0.465 1.00 0.00 N ATOM 599 CA ASN A 42 -14.581 -4.920 0.937 1.00 0.00 C ATOM 600 C ASN A 42 -15.510 -3.762 1.269 1.00 0.00 C ATOM 601 O ASN A 42 -15.077 -2.643 1.548 1.00 0.00 O ATOM 602 CB ASN A 42 -14.454 -5.838 2.150 1.00 0.00 C ATOM 603 CG ASN A 42 -13.286 -6.787 2.037 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.295 -7.711 1.224 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.271 -6.564 2.853 1.00 0.00 N ATOM 0 H ASN A 42 -12.982 -3.560 0.831 1.00 0.00 H new ATOM 0 HA ASN A 42 -15.018 -5.485 0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.340 -5.233 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.374 -6.411 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.451 -7.170 2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.307 -5.786 3.511 1.00 0.00 H new ATOM 610 N LYS A 43 -16.796 -4.063 1.246 1.00 0.00 N ATOM 611 CA LYS A 43 -17.835 -3.087 1.548 1.00 0.00 C ATOM 612 C LYS A 43 -18.758 -3.629 2.628 1.00 0.00 C ATOM 613 O LYS A 43 -18.730 -4.817 2.946 1.00 0.00 O ATOM 614 CB LYS A 43 -18.660 -2.774 0.289 1.00 0.00 C ATOM 615 CG LYS A 43 -20.155 -2.584 0.560 1.00 0.00 C ATOM 616 CD LYS A 43 -20.931 -2.338 -0.724 1.00 0.00 C ATOM 617 CE LYS A 43 -21.976 -1.249 -0.543 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.967 -1.599 0.511 1.00 0.00 N ATOM 0 H LYS A 43 -17.153 -4.991 1.018 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.356 -2.173 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.267 -1.870 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.531 -3.584 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.550 -3.468 1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.298 -1.743 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.241 -2.053 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.417 -3.261 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.483 -0.313 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.494 -1.083 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.736 -0.899 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.358 -2.543 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.500 -1.600 1.440 1.00 0.00 H new ATOM 632 N VAL A 44 -19.597 -2.757 3.162 1.00 0.00 N ATOM 633 CA VAL A 44 -20.551 -3.156 4.170 1.00 0.00 C ATOM 634 C VAL A 44 -21.677 -2.131 4.304 1.00 0.00 C ATOM 635 O VAL A 44 -21.528 -0.974 3.918 1.00 0.00 O ATOM 636 CB VAL A 44 -19.885 -3.360 5.530 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.245 -4.738 5.614 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.863 -2.269 5.821 1.00 0.00 C ATOM 0 H VAL A 44 -19.633 -1.769 2.911 1.00 0.00 H new ATOM 0 HA VAL A 44 -20.972 -4.107 3.843 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.661 -3.294 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -18.776 -4.863 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.009 -5.503 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.490 -4.837 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.409 -2.446 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.089 -2.281 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.358 -1.298 5.822 1.00 0.00 H new ATOM 642 N PRO A 45 -22.831 -2.545 4.850 1.00 0.00 N ATOM 643 CA PRO A 45 -23.982 -1.655 5.024 1.00 0.00 C ATOM 644 C PRO A 45 -23.612 -0.343 5.707 1.00 0.00 C ATOM 645 O PRO A 45 -24.080 0.727 5.316 1.00 0.00 O ATOM 646 CB PRO A 45 -24.928 -2.470 5.908 1.00 0.00 C ATOM 647 CG PRO A 45 -24.584 -3.890 5.620 1.00 0.00 C ATOM 648 CD PRO A 45 -23.107 -3.911 5.335 1.00 0.00 C ATOM 0 HA PRO A 45 -24.414 -1.360 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.786 -2.234 6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -25.971 -2.259 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.826 -4.530 6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.151 -4.263 4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.529 -4.144 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.853 -4.662 4.587 1.00 0.00 H new ATOM 656 N ASN A 46 -22.779 -0.435 6.735 1.00 0.00 N ATOM 657 CA ASN A 46 -22.350 0.740 7.487 1.00 0.00 C ATOM 658 C ASN A 46 -21.218 1.495 6.787 1.00 0.00 C ATOM 659 O ASN A 46 -20.704 2.477 7.324 1.00 0.00 O ATOM 660 CB ASN A 46 -21.905 0.331 8.891 1.00 0.00 C ATOM 661 CG ASN A 46 -20.773 -0.677 8.868 1.00 0.00 C ATOM 662 OD1 ASN A 46 -20.945 -1.811 8.420 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.607 -0.268 9.354 1.00 0.00 N ATOM 0 H ASN A 46 -22.385 -1.314 7.069 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.206 1.412 7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.588 1.217 9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.753 -0.092 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.809 -0.903 9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.510 0.681 9.715 1.00 0.00 H new ATOM 668 N GLY A 47 -20.820 1.041 5.599 1.00 0.00 N ATOM 669 CA GLY A 47 -19.747 1.703 4.887 1.00 0.00 C ATOM 670 C GLY A 47 -18.937 0.758 4.034 1.00 0.00 C ATOM 671 O GLY A 47 -19.456 -0.191 3.453 1.00 0.00 O ATOM 0 H GLY A 47 -21.220 0.233 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.166 2.486 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.088 2.191 5.605 1.00 0.00 H new ATOM 675 N PHE A 48 -17.657 1.037 3.964 1.00 0.00 N ATOM 676 CA PHE A 48 -16.727 0.238 3.192 1.00 0.00 C ATOM 677 C PHE A 48 -15.571 -0.213 4.070 1.00 0.00 C ATOM 678 O PHE A 48 -14.952 0.604 4.757 1.00 0.00 O ATOM 679 CB PHE A 48 -16.168 1.054 2.030 1.00 0.00 C ATOM 680 CG PHE A 48 -17.105 1.241 0.875 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.135 0.322 -0.158 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.936 2.346 0.809 1.00 0.00 C ATOM 683 CE1 PHE A 48 -17.979 0.494 -1.234 1.00 0.00 C ATOM 684 CE2 PHE A 48 -18.781 2.529 -0.269 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.803 1.599 -1.291 1.00 0.00 C ATOM 0 H PHE A 48 -17.226 1.828 4.442 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.261 -0.631 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.876 2.036 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.262 0.568 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.488 -0.542 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -17.924 3.072 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -17.995 -0.235 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.423 3.397 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.465 1.737 -2.133 1.00 0.00 H new ATOM 695 N SER A 49 -15.258 -1.503 4.026 1.00 0.00 N ATOM 696 CA SER A 49 -14.147 -2.027 4.794 1.00 0.00 C ATOM 697 C SER A 49 -13.023 -2.399 3.855 1.00 0.00 C ATOM 698 O SER A 49 -13.187 -3.209 2.939 1.00 0.00 O ATOM 699 CB SER A 49 -14.548 -3.223 5.647 1.00 0.00 C ATOM 700 OG SER A 49 -15.834 -3.704 5.294 1.00 0.00 O ATOM 0 H SER A 49 -15.757 -2.197 3.469 1.00 0.00 H new ATOM 0 HA SER A 49 -13.814 -1.249 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.814 -4.020 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.540 -2.940 6.700 1.00 0.00 H new ATOM 0 HG SER A 49 -16.062 -4.472 5.858 1.00 0.00 H new ATOM 706 N VAL A 50 -11.891 -1.778 4.079 1.00 0.00 N ATOM 707 CA VAL A 50 -10.722 -2.000 3.249 1.00 0.00 C ATOM 708 C VAL A 50 -9.583 -2.597 4.058 1.00 0.00 C ATOM 709 O VAL A 50 -9.458 -2.333 5.251 1.00 0.00 O ATOM 710 CB VAL A 50 -10.236 -0.685 2.607 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.435 -0.969 1.348 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.410 0.237 2.301 1.00 0.00 C ATOM 0 H VAL A 50 -11.749 -1.108 4.835 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.017 -2.698 2.465 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.586 -0.179 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.101 -0.029 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.568 -1.581 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.060 -1.502 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.041 1.158 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.092 -0.259 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.938 0.473 3.225 1.00 0.00 H new ATOM 716 N GLU A 51 -8.750 -3.392 3.400 1.00 0.00 N ATOM 717 CA GLU A 51 -7.609 -4.017 4.056 1.00 0.00 C ATOM 718 C GLU A 51 -6.484 -4.236 3.056 1.00 0.00 C ATOM 719 O GLU A 51 -6.686 -4.824 1.995 1.00 0.00 O ATOM 720 CB GLU A 51 -8.021 -5.342 4.701 1.00 0.00 C ATOM 721 CG GLU A 51 -6.850 -6.215 5.135 1.00 0.00 C ATOM 722 CD GLU A 51 -6.979 -6.696 6.567 1.00 0.00 C ATOM 723 OE1 GLU A 51 -8.123 -6.811 7.054 1.00 0.00 O ATOM 724 OE2 GLU A 51 -5.935 -6.958 7.201 1.00 0.00 O ATOM 0 H GLU A 51 -8.843 -3.620 2.410 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.251 -3.352 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.645 -5.132 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.635 -5.901 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.779 -7.077 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.923 -5.652 5.027 1.00 0.00 H new ATOM 731 N ALA A 52 -5.302 -3.752 3.402 1.00 0.00 N ATOM 732 CA ALA A 52 -4.141 -3.888 2.534 1.00 0.00 C ATOM 733 C ALA A 52 -3.124 -4.849 3.130 1.00 0.00 C ATOM 734 O ALA A 52 -2.978 -4.934 4.350 1.00 0.00 O ATOM 735 CB ALA A 52 -3.505 -2.528 2.286 1.00 0.00 C ATOM 0 H ALA A 52 -5.120 -3.261 4.278 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.475 -4.298 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.638 -2.645 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.230 -1.869 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.190 -2.095 3.235 1.00 0.00 H new ATOM 741 N SER A 53 -2.424 -5.572 2.263 1.00 0.00 N ATOM 742 CA SER A 53 -1.419 -6.527 2.704 1.00 0.00 C ATOM 743 C SER A 53 -0.230 -6.550 1.753 1.00 0.00 C ATOM 744 O SER A 53 -0.297 -7.126 0.667 1.00 0.00 O ATOM 745 CB SER A 53 -2.022 -7.926 2.813 1.00 0.00 C ATOM 746 OG SER A 53 -2.882 -8.199 1.720 1.00 0.00 O ATOM 0 H SER A 53 -2.535 -5.514 1.251 1.00 0.00 H new ATOM 0 HA SER A 53 -1.069 -6.212 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.224 -8.668 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.577 -8.014 3.747 1.00 0.00 H new ATOM 0 HG SER A 53 -3.253 -9.101 1.813 1.00 0.00 H new ATOM 752 N ILE A 54 0.859 -5.926 2.178 1.00 0.00 N ATOM 753 CA ILE A 54 2.078 -5.873 1.382 1.00 0.00 C ATOM 754 C ILE A 54 3.236 -6.492 2.158 1.00 0.00 C ATOM 755 O ILE A 54 3.123 -6.731 3.358 1.00 0.00 O ATOM 756 CB ILE A 54 2.435 -4.421 0.987 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.191 -3.686 0.471 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.539 -4.417 -0.060 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.474 -2.299 -0.076 1.00 0.00 C ATOM 0 H ILE A 54 0.924 -5.446 3.076 1.00 0.00 H new ATOM 0 HA ILE A 54 1.903 -6.441 0.468 1.00 0.00 H new ATOM 0 HB ILE A 54 2.798 -3.896 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.726 -4.286 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.468 -3.604 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.781 -3.389 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.426 -4.905 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.202 -4.955 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.544 -1.847 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.910 -1.680 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.172 -2.372 -0.910 1.00 0.00 H new ATOM 763 N GLY A 55 4.345 -6.754 1.476 1.00 0.00 N ATOM 764 CA GLY A 55 5.488 -7.339 2.132 1.00 0.00 C ATOM 765 C GLY A 55 6.701 -6.451 2.054 1.00 0.00 C ATOM 766 O GLY A 55 6.868 -5.684 1.107 1.00 0.00 O ATOM 0 H GLY A 55 4.468 -6.570 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.247 -7.531 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.714 -8.302 1.675 1.00 0.00 H new ATOM 770 N THR A 56 7.546 -6.561 3.055 1.00 0.00 N ATOM 771 CA THR A 56 8.766 -5.769 3.120 1.00 0.00 C ATOM 772 C THR A 56 9.876 -6.544 3.816 1.00 0.00 C ATOM 773 O THR A 56 9.629 -7.213 4.819 1.00 0.00 O ATOM 774 CB THR A 56 8.541 -4.446 3.865 1.00 0.00 C ATOM 775 OG1 THR A 56 9.116 -4.497 5.168 1.00 0.00 O ATOM 776 CG2 THR A 56 7.081 -4.062 4.004 1.00 0.00 C ATOM 0 H THR A 56 7.414 -7.195 3.843 1.00 0.00 H new ATOM 0 HA THR A 56 9.058 -5.550 2.093 1.00 0.00 H new ATOM 0 HB THR A 56 9.027 -3.687 3.252 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.675 -3.705 5.310 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.003 -3.117 4.541 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.637 -3.955 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.552 -4.838 4.557 1.00 0.00 H new ATOM 781 N PRO A 57 11.124 -6.448 3.326 1.00 0.00 N ATOM 782 CA PRO A 57 12.246 -7.133 3.963 1.00 0.00 C ATOM 783 C PRO A 57 12.347 -6.777 5.443 1.00 0.00 C ATOM 784 O PRO A 57 12.995 -7.480 6.218 1.00 0.00 O ATOM 785 CB PRO A 57 13.477 -6.612 3.219 1.00 0.00 C ATOM 786 CG PRO A 57 12.970 -6.068 1.929 1.00 0.00 C ATOM 787 CD PRO A 57 11.542 -5.656 2.152 1.00 0.00 C ATOM 0 HA PRO A 57 12.139 -8.217 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.985 -5.840 3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.199 -7.411 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.570 -5.217 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.035 -6.819 1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.460 -4.586 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.923 -5.874 1.282 1.00 0.00 H new ATOM 795 N LEU A 58 11.709 -5.669 5.828 1.00 0.00 N ATOM 796 CA LEU A 58 11.742 -5.214 7.213 1.00 0.00 C ATOM 797 C LEU A 58 10.518 -5.706 7.984 1.00 0.00 C ATOM 798 O LEU A 58 10.525 -5.744 9.215 1.00 0.00 O ATOM 799 CB LEU A 58 11.822 -3.685 7.268 1.00 0.00 C ATOM 800 CG LEU A 58 12.435 -3.014 6.032 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.432 -1.501 6.191 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.851 -3.523 5.786 1.00 0.00 C ATOM 0 H LEU A 58 11.167 -5.075 5.201 1.00 0.00 H new ATOM 0 HA LEU A 58 12.631 -5.633 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.816 -3.290 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.406 -3.400 8.143 1.00 0.00 H new ATOM 0 HG LEU A 58 11.825 -3.272 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.870 -1.041 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.407 -1.150 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.016 -1.226 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.266 -3.034 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.474 -3.299 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.827 -4.601 5.625 1.00 0.00 H new ATOM 808 N GLY A 59 9.473 -6.085 7.256 1.00 0.00 N ATOM 809 CA GLY A 59 8.263 -6.574 7.890 1.00 0.00 C ATOM 810 C GLY A 59 7.042 -6.435 7.005 1.00 0.00 C ATOM 811 O GLY A 59 6.814 -5.383 6.409 1.00 0.00 O ATOM 0 H GLY A 59 9.443 -6.062 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.396 -7.622 8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.098 -6.027 8.818 1.00 0.00 H new ATOM 815 N ASN A 60 6.257 -7.504 6.920 1.00 0.00 N ATOM 816 CA ASN A 60 5.051 -7.514 6.103 1.00 0.00 C ATOM 817 C ASN A 60 4.116 -6.370 6.482 1.00 0.00 C ATOM 818 O ASN A 60 3.768 -6.201 7.651 1.00 0.00 O ATOM 819 CB ASN A 60 4.322 -8.847 6.262 1.00 0.00 C ATOM 820 CG ASN A 60 5.195 -10.033 5.901 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.381 -9.879 5.609 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.612 -11.227 5.919 1.00 0.00 N ATOM 0 H ASN A 60 6.437 -8.380 7.411 1.00 0.00 H new ATOM 0 HA ASN A 60 5.350 -7.382 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.982 -8.951 7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.433 -8.849 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.150 -12.061 5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.626 -11.309 6.167 1.00 0.00 H new ATOM 827 N LEU A 61 3.702 -5.596 5.485 1.00 0.00 N ATOM 828 CA LEU A 61 2.796 -4.478 5.711 1.00 0.00 C ATOM 829 C LEU A 61 1.347 -4.945 5.634 1.00 0.00 C ATOM 830 O LEU A 61 0.982 -5.722 4.753 1.00 0.00 O ATOM 831 CB LEU A 61 3.026 -3.374 4.673 1.00 0.00 C ATOM 832 CG LEU A 61 4.144 -2.376 4.995 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.943 -2.049 3.741 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.571 -1.100 5.597 1.00 0.00 C ATOM 0 H LEU A 61 3.980 -5.723 4.512 1.00 0.00 H new ATOM 0 HA LEU A 61 2.997 -4.080 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.249 -3.843 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.096 -2.820 4.548 1.00 0.00 H new ATOM 0 HG LEU A 61 4.809 -2.836 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.733 -1.339 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.387 -2.962 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.282 -1.611 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.382 -0.406 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.883 -0.640 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.038 -1.339 6.517 1.00 0.00 H new ATOM 840 N LEU A 62 0.525 -4.456 6.550 1.00 0.00 N ATOM 841 CA LEU A 62 -0.884 -4.809 6.577 1.00 0.00 C ATOM 842 C LEU A 62 -1.700 -3.662 7.148 1.00 0.00 C ATOM 843 O LEU A 62 -1.208 -2.877 7.954 1.00 0.00 O ATOM 844 CB LEU A 62 -1.120 -6.072 7.405 1.00 0.00 C ATOM 845 CG LEU A 62 -0.141 -7.218 7.142 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.223 -8.255 8.252 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.422 -7.856 5.788 1.00 0.00 C ATOM 0 H LEU A 62 0.812 -3.811 7.287 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.201 -5.005 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.070 -5.809 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.132 -6.429 7.213 1.00 0.00 H new ATOM 0 HG LEU A 62 0.871 -6.813 7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.480 -9.063 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.027 -7.788 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.235 -8.658 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.283 -8.669 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.439 -8.248 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.311 -7.108 5.003 1.00 0.00 H new ATOM 853 N ALA A 63 -2.947 -3.574 6.725 1.00 0.00 N ATOM 854 CA ALA A 63 -3.839 -2.523 7.192 1.00 0.00 C ATOM 855 C ALA A 63 -5.294 -2.892 6.945 1.00 0.00 C ATOM 856 O ALA A 63 -5.591 -3.771 6.136 1.00 0.00 O ATOM 857 CB ALA A 63 -3.505 -1.204 6.513 1.00 0.00 C ATOM 0 H ALA A 63 -3.369 -4.219 6.057 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.696 -2.411 8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.181 -0.428 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.477 -0.926 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.618 -1.311 5.434 1.00 0.00 H new ATOM 863 N SER A 64 -6.194 -2.214 7.646 1.00 0.00 N ATOM 864 CA SER A 64 -7.622 -2.470 7.505 1.00 0.00 C ATOM 865 C SER A 64 -8.437 -1.373 8.184 1.00 0.00 C ATOM 866 O SER A 64 -8.140 -0.976 9.311 1.00 0.00 O ATOM 867 CB SER A 64 -7.979 -3.833 8.100 1.00 0.00 C ATOM 868 OG SER A 64 -7.020 -4.237 9.061 1.00 0.00 O ATOM 0 H SER A 64 -5.961 -1.483 8.318 1.00 0.00 H new ATOM 0 HA SER A 64 -7.864 -2.474 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.964 -3.784 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.037 -4.576 7.305 1.00 0.00 H new ATOM 0 HG SER A 64 -7.272 -5.110 9.427 1.00 0.00 H new ATOM 874 N ALA A 65 -9.464 -0.882 7.496 1.00 0.00 N ATOM 875 CA ALA A 65 -10.310 0.172 8.045 1.00 0.00 C ATOM 876 C ALA A 65 -11.723 0.119 7.472 1.00 0.00 C ATOM 877 O ALA A 65 -11.948 -0.416 6.387 1.00 0.00 O ATOM 878 CB ALA A 65 -9.686 1.534 7.784 1.00 0.00 C ATOM 0 H ALA A 65 -9.729 -1.195 6.562 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.385 0.011 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.326 2.313 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.705 1.581 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.579 1.685 6.710 1.00 0.00 H new ATOM 884 N THR A 66 -12.670 0.687 8.215 1.00 0.00 N ATOM 885 CA THR A 66 -14.069 0.721 7.796 1.00 0.00 C ATOM 886 C THR A 66 -14.594 2.152 7.826 1.00 0.00 C ATOM 887 O THR A 66 -14.380 2.875 8.798 1.00 0.00 O ATOM 888 CB THR A 66 -14.919 -0.157 8.717 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.444 -1.491 8.723 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.383 -0.188 8.332 1.00 0.00 C ATOM 0 H THR A 66 -12.492 1.132 9.115 1.00 0.00 H new ATOM 0 HA THR A 66 -14.134 0.338 6.778 1.00 0.00 H new ATOM 0 HB THR A 66 -14.831 0.294 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.001 -2.034 9.319 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.928 -0.828 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.791 0.822 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.485 -0.580 7.320 1.00 0.00 H new ATOM 895 N SER A 67 -15.280 2.564 6.763 1.00 0.00 N ATOM 896 CA SER A 67 -15.819 3.914 6.701 1.00 0.00 C ATOM 897 C SER A 67 -16.814 4.057 5.560 1.00 0.00 C ATOM 898 O SER A 67 -16.784 3.296 4.597 1.00 0.00 O ATOM 899 CB SER A 67 -14.687 4.923 6.520 1.00 0.00 C ATOM 900 OG SER A 67 -14.591 5.792 7.635 1.00 0.00 O ATOM 0 H SER A 67 -15.473 1.988 5.943 1.00 0.00 H new ATOM 0 HA SER A 67 -16.338 4.111 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.743 4.394 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.857 5.506 5.615 1.00 0.00 H new ATOM 0 HG SER A 67 -13.857 6.426 7.493 1.00 0.00 H new ATOM 906 N ASP A 68 -17.680 5.056 5.665 1.00 0.00 N ATOM 907 CA ASP A 68 -18.670 5.314 4.631 1.00 0.00 C ATOM 908 C ASP A 68 -18.037 6.040 3.445 1.00 0.00 C ATOM 909 O ASP A 68 -18.726 6.408 2.494 1.00 0.00 O ATOM 910 CB ASP A 68 -19.826 6.143 5.195 1.00 0.00 C ATOM 911 CG ASP A 68 -21.168 5.729 4.624 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.619 4.604 4.926 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.768 6.529 3.876 1.00 0.00 O ATOM 0 H ASP A 68 -17.716 5.700 6.455 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.057 4.356 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.848 6.039 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.652 7.197 4.979 1.00 0.00 H new ATOM 918 N ASP A 69 -16.720 6.246 3.506 1.00 0.00 N ATOM 919 CA ASP A 69 -16.006 6.928 2.438 1.00 0.00 C ATOM 920 C ASP A 69 -14.951 6.016 1.816 1.00 0.00 C ATOM 921 O ASP A 69 -13.840 5.893 2.324 1.00 0.00 O ATOM 922 CB ASP A 69 -15.352 8.201 2.971 1.00 0.00 C ATOM 923 CG ASP A 69 -16.321 9.366 3.036 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.352 9.242 3.729 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.048 10.401 2.393 1.00 0.00 O ATOM 0 H ASP A 69 -16.132 5.949 4.285 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.726 7.194 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.950 8.010 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.510 8.468 2.333 1.00 0.00 H new ATOM 930 N MET A 70 -15.326 5.379 0.713 1.00 0.00 N ATOM 931 CA MET A 70 -14.455 4.462 -0.015 1.00 0.00 C ATOM 932 C MET A 70 -12.998 4.930 -0.068 1.00 0.00 C ATOM 933 O MET A 70 -12.114 4.321 0.546 1.00 0.00 O ATOM 934 CB MET A 70 -14.994 4.300 -1.438 1.00 0.00 C ATOM 935 CG MET A 70 -15.683 2.968 -1.682 1.00 0.00 C ATOM 936 SD MET A 70 -15.114 2.155 -3.186 1.00 0.00 S ATOM 937 CE MET A 70 -13.663 1.308 -2.571 1.00 0.00 C ATOM 0 H MET A 70 -16.250 5.485 0.295 1.00 0.00 H new ATOM 0 HA MET A 70 -14.458 3.512 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.698 5.106 -1.644 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.170 4.408 -2.144 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.507 2.311 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.760 3.127 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.544 0.361 -3.097 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.782 1.928 -2.737 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.777 1.118 -1.504 1.00 0.00 H new ATOM 947 N TYR A 71 -12.745 5.990 -0.825 1.00 0.00 N ATOM 948 CA TYR A 71 -11.391 6.502 -0.979 1.00 0.00 C ATOM 949 C TYR A 71 -10.818 7.000 0.332 1.00 0.00 C ATOM 950 O TYR A 71 -9.603 7.023 0.499 1.00 0.00 O ATOM 951 CB TYR A 71 -11.336 7.564 -2.074 1.00 0.00 C ATOM 952 CG TYR A 71 -11.054 6.955 -3.432 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.292 5.601 -3.660 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.540 7.711 -4.476 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.033 5.021 -4.878 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.277 7.137 -5.707 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.526 5.792 -5.904 1.00 0.00 C ATOM 958 OH TYR A 71 -10.269 5.221 -7.128 1.00 0.00 O ATOM 0 H TYR A 71 -13.456 6.509 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.756 5.673 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.283 8.103 -2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.562 8.294 -1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.689 4.993 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.343 8.762 -4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.225 3.969 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.879 7.738 -6.511 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.526 5.692 -7.559 1.00 0.00 H new ATOM 968 N LYS A 72 -11.683 7.344 1.279 1.00 0.00 N ATOM 969 CA LYS A 72 -11.216 7.773 2.587 1.00 0.00 C ATOM 970 C LYS A 72 -10.765 6.543 3.361 1.00 0.00 C ATOM 971 O LYS A 72 -9.761 6.568 4.067 1.00 0.00 O ATOM 972 CB LYS A 72 -12.300 8.486 3.351 1.00 0.00 C ATOM 973 CG LYS A 72 -11.814 9.158 4.624 1.00 0.00 C ATOM 974 CD LYS A 72 -11.208 10.522 4.337 1.00 0.00 C ATOM 975 CE LYS A 72 -12.256 11.622 4.399 1.00 0.00 C ATOM 976 NZ LYS A 72 -11.668 12.928 4.805 1.00 0.00 N ATOM 0 H LYS A 72 -12.697 7.334 1.167 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.390 8.472 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.752 9.238 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.083 7.771 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.646 9.267 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.073 8.524 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.418 10.730 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.744 10.515 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.731 11.726 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.037 11.340 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.415 13.651 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.236 12.837 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.941 13.210 4.117 1.00 0.00 H new ATOM 990 N ALA A 73 -11.503 5.443 3.182 1.00 0.00 N ATOM 991 CA ALA A 73 -11.155 4.183 3.817 1.00 0.00 C ATOM 992 C ALA A 73 -9.800 3.774 3.280 1.00 0.00 C ATOM 993 O ALA A 73 -8.879 3.446 4.031 1.00 0.00 O ATOM 994 CB ALA A 73 -12.205 3.118 3.527 1.00 0.00 C ATOM 0 H ALA A 73 -12.342 5.407 2.603 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.118 4.296 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.921 2.185 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.172 3.447 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.275 2.959 2.451 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.674 3.886 1.960 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.415 3.623 1.289 1.00 0.00 C ATOM 1002 C ILE A 74 -7.416 4.655 1.794 1.00 0.00 C ATOM 1003 O ILE A 74 -6.244 4.361 2.044 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.592 3.721 -0.246 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.130 2.400 -0.783 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.291 4.091 -0.949 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.481 2.515 -1.447 1.00 0.00 C ATOM 0 H ILE A 74 -10.434 4.158 1.337 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.059 2.616 1.504 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.306 4.519 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.417 1.993 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.199 1.686 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.462 4.149 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.943 5.057 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.537 3.332 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.796 1.534 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.209 2.891 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.415 3.203 -2.290 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.940 5.863 1.987 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.188 6.979 2.513 1.00 0.00 C ATOM 1013 C ASN A 75 -6.627 6.611 3.881 1.00 0.00 C ATOM 1014 O ASN A 75 -5.489 6.941 4.216 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.132 8.180 2.602 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.445 9.485 2.316 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.718 10.025 3.151 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.677 9.999 1.121 1.00 0.00 N ATOM 0 H ASN A 75 -8.912 6.088 1.777 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.347 7.229 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.952 8.044 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.572 8.217 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.245 10.884 0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.288 9.511 0.466 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.442 5.900 4.652 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.054 5.442 5.979 1.00 0.00 C ATOM 1025 C GLU A 76 -6.021 4.319 5.870 1.00 0.00 C ATOM 1026 O GLU A 76 -4.921 4.414 6.424 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.287 4.956 6.746 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.536 5.714 8.039 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.093 7.104 7.802 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.322 7.228 7.618 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -8.300 8.069 7.799 1.00 0.00 O ATOM 0 H GLU A 76 -8.385 5.627 4.376 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.607 6.274 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.164 5.050 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.169 3.896 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.232 5.149 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.602 5.791 8.596 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.375 3.258 5.138 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.472 2.127 4.943 1.00 0.00 C ATOM 1040 C VAL A 77 -4.096 2.615 4.536 1.00 0.00 C ATOM 1041 O VAL A 77 -3.088 2.244 5.136 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.977 1.162 3.856 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.243 -0.167 3.939 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.475 0.960 3.973 1.00 0.00 C ATOM 0 H VAL A 77 -7.278 3.162 4.673 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.428 1.596 5.894 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.771 1.604 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.614 -0.836 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.175 -0.002 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.414 -0.616 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.812 0.274 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.710 0.542 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.982 1.918 3.856 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.064 3.460 3.511 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.809 4.009 3.030 1.00 0.00 C ATOM 1050 C GLU A 78 -2.067 4.688 4.172 1.00 0.00 C ATOM 1051 O GLU A 78 -0.837 4.675 4.227 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.056 5.001 1.892 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.864 5.171 0.964 1.00 0.00 C ATOM 1054 CD GLU A 78 -0.739 5.965 1.600 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -0.947 7.161 1.891 1.00 0.00 O ATOM 1056 OE2 GLU A 78 0.350 5.389 1.806 1.00 0.00 O ATOM 0 H GLU A 78 -4.890 3.776 3.002 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.196 3.194 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.915 4.667 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.317 5.971 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.491 4.189 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.187 5.672 0.052 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.830 5.264 5.096 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.253 5.929 6.253 1.00 0.00 C ATOM 1065 C GLU A 79 -1.640 4.898 7.187 1.00 0.00 C ATOM 1066 O GLU A 79 -0.533 5.084 7.692 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.316 6.745 6.991 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.790 8.048 7.570 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.258 7.886 8.980 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -3.076 7.847 9.923 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -1.022 7.798 9.142 1.00 0.00 O ATOM 0 H GLU A 79 -3.849 5.282 5.063 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.474 6.611 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.134 6.966 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.731 6.140 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.997 8.433 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.588 8.790 7.570 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.356 3.796 7.397 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.857 2.727 8.253 1.00 0.00 C ATOM 1080 C LYS A 80 -0.661 2.056 7.589 1.00 0.00 C ATOM 1081 O LYS A 80 0.377 1.841 8.218 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.957 1.699 8.531 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.182 1.437 10.012 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.256 2.350 10.586 1.00 0.00 C ATOM 1085 CE LYS A 80 -3.704 3.239 11.689 1.00 0.00 C ATOM 1086 NZ LYS A 80 -3.031 4.450 11.142 1.00 0.00 N ATOM 0 H LYS A 80 -3.275 3.622 6.990 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.545 3.155 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.889 2.047 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.699 0.761 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.472 0.397 10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.248 1.587 10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.670 2.970 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.075 1.747 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.515 3.542 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.996 2.671 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.062 5.213 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.040 4.225 10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.520 4.758 10.277 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.813 1.745 6.305 1.00 0.00 N ATOM 1101 CA LEU A 81 0.254 1.115 5.536 1.00 0.00 C ATOM 1102 C LEU A 81 1.485 2.021 5.508 1.00 0.00 C ATOM 1103 O LEU A 81 2.611 1.561 5.714 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.226 0.808 4.105 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.249 -0.675 3.703 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.090 -1.089 3.116 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.615 -1.565 4.884 1.00 0.00 C ATOM 0 H LEU A 81 -1.667 1.920 5.775 1.00 0.00 H new ATOM 0 HA LEU A 81 0.525 0.174 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.232 1.211 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.416 1.343 3.406 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.018 -0.802 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.055 -2.142 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.302 -0.487 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.875 -0.936 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.622 -2.607 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.118 -1.434 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.603 -1.291 5.253 1.00 0.00 H new ATOM 1113 N GLU A 82 1.266 3.316 5.276 1.00 0.00 N ATOM 1114 CA GLU A 82 2.363 4.273 5.247 1.00 0.00 C ATOM 1115 C GLU A 82 2.971 4.414 6.634 1.00 0.00 C ATOM 1116 O GLU A 82 4.168 4.196 6.826 1.00 0.00 O ATOM 1117 CB GLU A 82 1.875 5.630 4.753 1.00 0.00 C ATOM 1118 CG GLU A 82 2.998 6.612 4.472 1.00 0.00 C ATOM 1119 CD GLU A 82 3.200 7.604 5.600 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.514 8.647 5.603 1.00 0.00 O ATOM 1121 OE2 GLU A 82 4.045 7.337 6.481 1.00 0.00 O ATOM 0 H GLU A 82 0.345 3.720 5.107 1.00 0.00 H new ATOM 0 HA GLU A 82 3.125 3.905 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.291 5.488 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.205 6.060 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.924 6.062 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.780 7.153 3.551 1.00 0.00 H new ATOM 1128 N ARG A 83 2.131 4.763 7.606 1.00 0.00 N ATOM 1129 CA ARG A 83 2.584 4.910 8.986 1.00 0.00 C ATOM 1130 C ARG A 83 3.416 3.696 9.381 1.00 0.00 C ATOM 1131 O ARG A 83 4.521 3.824 9.918 1.00 0.00 O ATOM 1132 CB ARG A 83 1.390 5.062 9.931 1.00 0.00 C ATOM 1133 CG ARG A 83 1.786 5.229 11.389 1.00 0.00 C ATOM 1134 CD ARG A 83 0.566 5.318 12.292 1.00 0.00 C ATOM 1135 NE ARG A 83 0.265 6.696 12.672 1.00 0.00 N ATOM 1136 CZ ARG A 83 -0.551 7.029 13.670 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -1.148 6.088 14.390 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -0.769 8.307 13.949 1.00 0.00 N ATOM 0 H ARG A 83 1.138 4.948 7.464 1.00 0.00 H new ATOM 0 HA ARG A 83 3.197 5.808 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.800 5.925 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.748 4.186 9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.407 4.388 11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.390 6.129 11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.295 4.887 11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.735 4.723 13.190 1.00 0.00 H new ATOM 0 HE ARG A 83 0.706 7.447 12.142 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.983 5.104 14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.772 6.349 15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.312 9.034 13.399 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.394 8.563 14.713 1.00 0.00 H new ATOM 1152 N GLN A 84 2.888 2.514 9.074 1.00 0.00 N ATOM 1153 CA GLN A 84 3.590 1.275 9.359 1.00 0.00 C ATOM 1154 C GLN A 84 4.918 1.271 8.613 1.00 0.00 C ATOM 1155 O GLN A 84 5.964 0.973 9.190 1.00 0.00 O ATOM 1156 CB GLN A 84 2.740 0.072 8.950 1.00 0.00 C ATOM 1157 CG GLN A 84 1.619 -0.236 9.925 1.00 0.00 C ATOM 1158 CD GLN A 84 0.606 -1.211 9.361 1.00 0.00 C ATOM 1159 OE1 GLN A 84 0.904 -2.389 9.165 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.601 -0.723 9.097 1.00 0.00 N ATOM 0 H GLN A 84 1.978 2.393 8.629 1.00 0.00 H new ATOM 0 HA GLN A 84 3.778 1.204 10.430 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.313 0.257 7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.383 -0.803 8.860 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.043 -0.648 10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.113 0.691 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.804 0.261 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.325 -1.332 8.716 1.00 0.00 H new ATOM 1167 N LEU A 85 4.872 1.650 7.332 1.00 0.00 N ATOM 1168 CA LEU A 85 6.083 1.733 6.520 1.00 0.00 C ATOM 1169 C LEU A 85 7.126 2.550 7.270 1.00 0.00 C ATOM 1170 O LEU A 85 8.267 2.118 7.459 1.00 0.00 O ATOM 1171 CB LEU A 85 5.781 2.395 5.170 1.00 0.00 C ATOM 1172 CG LEU A 85 5.786 1.462 3.957 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.719 1.896 2.961 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.164 1.442 3.299 1.00 0.00 C ATOM 0 H LEU A 85 4.014 1.902 6.841 1.00 0.00 H new ATOM 0 HA LEU A 85 6.459 0.727 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.804 2.875 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.514 3.184 5.001 1.00 0.00 H new ATOM 0 HG LEU A 85 5.558 0.450 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.730 1.226 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.739 1.858 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.923 2.914 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.147 0.773 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.425 2.448 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.905 1.091 4.017 1.00 0.00 H new ATOM 1180 N ASN A 86 6.705 3.730 7.722 1.00 0.00 N ATOM 1181 CA ASN A 86 7.577 4.610 8.482 1.00 0.00 C ATOM 1182 C ASN A 86 8.082 3.882 9.716 1.00 0.00 C ATOM 1183 O ASN A 86 9.247 4.007 10.088 1.00 0.00 O ATOM 1184 CB ASN A 86 6.834 5.892 8.875 1.00 0.00 C ATOM 1185 CG ASN A 86 7.774 7.063 9.082 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.976 6.960 8.840 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.228 8.187 9.532 1.00 0.00 N ATOM 0 H ASN A 86 5.764 4.095 7.573 1.00 0.00 H new ATOM 0 HA ASN A 86 8.429 4.891 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.111 6.142 8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.270 5.716 9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.810 9.009 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.226 8.228 9.719 1.00 0.00 H new ATOM 1192 N LYS A 87 7.207 3.087 10.327 1.00 0.00 N ATOM 1193 CA LYS A 87 7.589 2.306 11.496 1.00 0.00 C ATOM 1194 C LYS A 87 8.724 1.366 11.126 1.00 0.00 C ATOM 1195 O LYS A 87 9.744 1.303 11.811 1.00 0.00 O ATOM 1196 CB LYS A 87 6.405 1.492 12.016 1.00 0.00 C ATOM 1197 CG LYS A 87 6.020 1.820 13.450 1.00 0.00 C ATOM 1198 CD LYS A 87 4.541 2.150 13.572 1.00 0.00 C ATOM 1199 CE LYS A 87 4.060 2.031 15.009 1.00 0.00 C ATOM 1200 NZ LYS A 87 4.736 3.012 15.903 1.00 0.00 N ATOM 0 H LYS A 87 6.237 2.968 10.034 1.00 0.00 H new ATOM 0 HA LYS A 87 7.912 2.990 12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.545 1.665 11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.647 0.431 11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.259 0.973 14.094 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.612 2.665 13.802 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.362 3.162 13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.964 1.478 12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.982 2.189 15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.246 1.020 15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.345 2.934 16.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.757 2.813 15.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.580 3.975 15.543 1.00 0.00 H new ATOM 1214 N LEU A 88 8.542 0.645 10.022 1.00 0.00 N ATOM 1215 CA LEU A 88 9.560 -0.280 9.549 1.00 0.00 C ATOM 1216 C LEU A 88 10.862 0.469 9.321 1.00 0.00 C ATOM 1217 O LEU A 88 11.906 0.120 9.872 1.00 0.00 O ATOM 1218 CB LEU A 88 9.125 -0.955 8.246 1.00 0.00 C ATOM 1219 CG LEU A 88 7.701 -1.511 8.234 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.438 -2.277 6.948 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.471 -2.402 9.442 1.00 0.00 C ATOM 0 H LEU A 88 7.703 0.685 9.443 1.00 0.00 H new ATOM 0 HA LEU A 88 9.702 -1.051 10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.221 -0.234 7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.816 -1.770 8.032 1.00 0.00 H new ATOM 0 HG LEU A 88 7.003 -0.675 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.420 -2.665 6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.564 -1.610 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.141 -3.106 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.453 -2.790 9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.177 -3.233 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.618 -1.824 10.354 1.00 0.00 H new ATOM 1227 N GLN A 89 10.777 1.517 8.512 1.00 0.00 N ATOM 1228 CA GLN A 89 11.937 2.348 8.211 1.00 0.00 C ATOM 1229 C GLN A 89 12.503 2.950 9.496 1.00 0.00 C ATOM 1230 O GLN A 89 13.695 3.246 9.586 1.00 0.00 O ATOM 1231 CB GLN A 89 11.556 3.466 7.237 1.00 0.00 C ATOM 1232 CG GLN A 89 11.720 3.094 5.772 1.00 0.00 C ATOM 1233 CD GLN A 89 10.638 2.169 5.276 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.107 1.351 6.026 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.311 2.292 4.002 1.00 0.00 N ATOM 0 H GLN A 89 9.916 1.813 8.052 1.00 0.00 H new ATOM 0 HA GLN A 89 12.698 1.721 7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.519 3.751 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.168 4.343 7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.719 4.002 5.170 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.691 2.619 5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.780 2.986 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.589 1.693 3.601 1.00 0.00 H new ATOM 1242 N HIS A 90 11.632 3.127 10.488 1.00 0.00 N ATOM 1243 CA HIS A 90 12.026 3.689 11.774 1.00 0.00 C ATOM 1244 C HIS A 90 12.758 2.659 12.619 1.00 0.00 C ATOM 1245 O HIS A 90 13.912 2.854 13.001 1.00 0.00 O ATOM 1246 CB HIS A 90 10.793 4.170 12.539 1.00 0.00 C ATOM 1247 CG HIS A 90 10.270 5.495 12.076 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.058 6.440 11.453 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.030 6.034 12.153 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.325 7.503 11.168 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.092 7.281 11.582 1.00 0.00 N ATOM 0 H HIS A 90 10.643 2.887 10.422 1.00 0.00 H new ATOM 0 HA HIS A 90 12.694 4.528 11.579 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.004 3.425 12.442 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.039 4.238 13.599 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.051 6.335 11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.155 5.569 12.583 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.676 8.400 10.680 1.00 0.00 H new ATOM 1260 N LYS A 91 12.066 1.566 12.921 1.00 0.00 N ATOM 1261 CA LYS A 91 12.630 0.504 13.739 1.00 0.00 C ATOM 1262 C LYS A 91 14.005 0.079 13.229 1.00 0.00 C ATOM 1263 O LYS A 91 14.913 -0.191 14.015 1.00 0.00 O ATOM 1264 CB LYS A 91 11.689 -0.702 13.769 1.00 0.00 C ATOM 1265 CG LYS A 91 11.503 -1.363 12.414 1.00 0.00 C ATOM 1266 CD LYS A 91 10.668 -2.629 12.522 1.00 0.00 C ATOM 1267 CE LYS A 91 11.541 -3.855 12.731 1.00 0.00 C ATOM 1268 NZ LYS A 91 11.010 -5.045 12.009 1.00 0.00 N ATOM 0 H LYS A 91 11.110 1.394 12.609 1.00 0.00 H new ATOM 0 HA LYS A 91 12.748 0.892 14.751 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.078 -1.438 14.473 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.717 -0.384 14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.020 -0.665 11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.477 -1.604 11.988 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.967 -2.534 13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.075 -2.753 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.553 -3.643 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.607 -4.076 13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.605 -5.872 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.035 -5.233 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.019 -4.862 10.985 1.00 0.00 H new ATOM 1282 N SER A 92 14.149 0.022 11.909 1.00 0.00 N ATOM 1283 CA SER A 92 15.412 -0.371 11.295 1.00 0.00 C ATOM 1284 C SER A 92 16.454 0.735 11.436 1.00 0.00 C ATOM 1285 O SER A 92 16.554 1.619 10.586 1.00 0.00 O ATOM 1286 CB SER A 92 15.203 -0.704 9.816 1.00 0.00 C ATOM 1287 OG SER A 92 14.204 -1.696 9.653 1.00 0.00 O ATOM 0 H SER A 92 13.407 0.243 11.244 1.00 0.00 H new ATOM 0 HA SER A 92 15.777 -1.258 11.812 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.917 0.197 9.274 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.140 -1.053 9.382 1.00 0.00 H new ATOM 0 HG SER A 92 13.318 -1.281 9.714 1.00 0.00 H new ATOM 1293 N GLU A 93 17.227 0.677 12.515 1.00 0.00 N ATOM 1294 CA GLU A 93 18.262 1.673 12.767 1.00 0.00 C ATOM 1295 C GLU A 93 19.646 1.112 12.452 1.00 0.00 C ATOM 1296 O GLU A 93 20.639 1.500 13.068 1.00 0.00 O ATOM 1297 CB GLU A 93 18.207 2.138 14.223 1.00 0.00 C ATOM 1298 CG GLU A 93 16.802 2.456 14.708 1.00 0.00 C ATOM 1299 CD GLU A 93 16.743 2.704 16.203 1.00 0.00 C ATOM 1300 OE1 GLU A 93 17.231 1.845 16.967 1.00 0.00 O ATOM 1301 OE2 GLU A 93 16.208 3.757 16.609 1.00 0.00 O ATOM 0 H GLU A 93 17.157 -0.048 13.229 1.00 0.00 H new ATOM 0 HA GLU A 93 18.078 2.525 12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 93 18.635 1.364 14.859 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.831 3.025 14.336 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.431 3.336 14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.138 1.630 14.454 1.00 0.00 H new ATOM 1308 N SER A 94 19.703 0.197 11.490 1.00 0.00 N ATOM 1309 CA SER A 94 20.965 -0.417 11.093 1.00 0.00 C ATOM 1310 C SER A 94 21.203 -0.251 9.595 1.00 0.00 C ATOM 1311 O SER A 94 21.832 -1.097 8.959 1.00 0.00 O ATOM 1312 CB SER A 94 20.971 -1.902 11.460 1.00 0.00 C ATOM 1313 OG SER A 94 20.410 -2.113 12.744 1.00 0.00 O ATOM 0 H SER A 94 18.890 -0.136 10.971 1.00 0.00 H new ATOM 0 HA SER A 94 21.770 0.086 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 94 20.407 -2.466 10.717 1.00 0.00 H new ATOM 0 HB3 SER A 94 21.993 -2.281 11.440 1.00 0.00 H new ATOM 0 HG SER A 94 20.424 -3.070 12.954 1.00 0.00 H new ATOM 1319 N ARG A 95 20.697 0.844 9.039 1.00 0.00 N ATOM 1320 CA ARG A 95 20.855 1.121 7.616 1.00 0.00 C ATOM 1321 C ARG A 95 22.246 1.671 7.320 1.00 0.00 C ATOM 1322 O ARG A 95 22.937 2.157 8.216 1.00 0.00 O ATOM 1323 CB ARG A 95 19.790 2.115 7.147 1.00 0.00 C ATOM 1324 CG ARG A 95 19.674 3.346 8.032 1.00 0.00 C ATOM 1325 CD ARG A 95 19.337 4.586 7.220 1.00 0.00 C ATOM 1326 NE ARG A 95 18.501 5.520 7.970 1.00 0.00 N ATOM 1327 CZ ARG A 95 18.921 6.201 9.033 1.00 0.00 C ATOM 1328 NH1 ARG A 95 20.165 6.057 9.475 1.00 0.00 N ATOM 1329 NH2 ARG A 95 18.095 7.030 9.658 1.00 0.00 N ATOM 0 H ARG A 95 20.174 1.554 9.552 1.00 0.00 H new ATOM 0 HA ARG A 95 20.732 0.184 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 95 20.022 2.430 6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 95 18.824 1.611 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.903 3.183 8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 95 20.612 3.502 8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 95 20.259 5.085 6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 95 18.822 4.292 6.306 1.00 0.00 H new ATOM 0 HE ARG A 95 17.539 5.658 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 95 20.805 5.421 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 95 20.480 6.582 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.138 7.145 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.417 7.552 10.473 1.00 0.00 H new ATOM 1343 N ARG A 96 22.652 1.592 6.057 1.00 0.00 N ATOM 1344 CA ARG A 96 23.961 2.082 5.642 1.00 0.00 C ATOM 1345 C ARG A 96 24.113 2.011 4.126 1.00 0.00 C ATOM 1346 O ARG A 96 24.547 2.972 3.491 1.00 0.00 O ATOM 1347 CB ARG A 96 25.069 1.271 6.316 1.00 0.00 C ATOM 1348 CG ARG A 96 24.827 -0.230 6.289 1.00 0.00 C ATOM 1349 CD ARG A 96 25.671 -0.949 7.329 1.00 0.00 C ATOM 1350 NE ARG A 96 25.763 -2.383 7.063 1.00 0.00 N ATOM 1351 CZ ARG A 96 24.803 -3.255 7.363 1.00 0.00 C ATOM 1352 NH1 ARG A 96 23.679 -2.845 7.937 1.00 0.00 N ATOM 1353 NH2 ARG A 96 24.967 -4.542 7.087 1.00 0.00 N ATOM 0 H ARG A 96 22.093 1.193 5.303 1.00 0.00 H new ATOM 0 HA ARG A 96 24.045 3.125 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 96 26.017 1.487 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 96 25.167 1.596 7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 96 23.772 -0.433 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 96 25.059 -0.619 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 96 26.672 -0.518 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 96 25.241 -0.791 8.318 1.00 0.00 H new ATOM 0 HE ARG A 96 26.612 -2.736 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 96 23.547 -1.856 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 96 22.947 -3.518 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 96 25.828 -4.863 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 96 24.232 -5.211 7.317 1.00 0.00 H new ATOM 1367 N ALA A 97 23.753 0.868 3.553 1.00 0.00 N ATOM 1368 CA ALA A 97 23.850 0.672 2.112 1.00 0.00 C ATOM 1369 C ALA A 97 22.702 -0.190 1.597 1.00 0.00 C ATOM 1370 O ALA A 97 22.709 -1.411 1.756 1.00 0.00 O ATOM 1371 CB ALA A 97 25.187 0.041 1.754 1.00 0.00 C ATOM 0 H ALA A 97 23.391 0.063 4.065 1.00 0.00 H new ATOM 0 HA ALA A 97 23.781 1.648 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.246 -0.100 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 97 25.996 0.694 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 97 25.278 -0.925 2.251 1.00 0.00 H new ATOM 1377 N ASP A 98 21.717 0.453 0.980 1.00 0.00 N ATOM 1378 CA ASP A 98 20.561 -0.254 0.441 1.00 0.00 C ATOM 1379 C ASP A 98 20.595 -0.269 -1.084 1.00 0.00 C ATOM 1380 O ASP A 98 20.151 -1.228 -1.715 1.00 0.00 O ATOM 1381 CB ASP A 98 19.265 0.397 0.928 1.00 0.00 C ATOM 1382 CG ASP A 98 18.184 -0.622 1.228 1.00 0.00 C ATOM 1383 OD1 ASP A 98 17.834 -1.403 0.318 1.00 0.00 O ATOM 1384 OD2 ASP A 98 17.686 -0.639 2.374 1.00 0.00 O ATOM 0 H ASP A 98 21.696 1.463 0.841 1.00 0.00 H new ATOM 0 HA ASP A 98 20.598 -1.283 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.470 0.980 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.904 1.093 0.171 1.00 0.00 H new ATOM 1389 N GLU A 99 21.124 0.800 -1.669 1.00 0.00 N ATOM 1390 CA GLU A 99 21.217 0.912 -3.120 1.00 0.00 C ATOM 1391 C GLU A 99 19.832 0.871 -3.758 1.00 0.00 C ATOM 1392 O GLU A 99 18.885 0.343 -3.176 1.00 0.00 O ATOM 1393 CB GLU A 99 22.085 -0.215 -3.685 1.00 0.00 C ATOM 1394 CG GLU A 99 22.903 0.198 -4.898 1.00 0.00 C ATOM 1395 CD GLU A 99 22.474 -0.520 -6.164 1.00 0.00 C ATOM 1396 OE1 GLU A 99 22.528 -1.768 -6.186 1.00 0.00 O ATOM 1397 OE2 GLU A 99 22.085 0.165 -7.132 1.00 0.00 O ATOM 0 H GLU A 99 21.495 1.602 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 99 21.679 1.871 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 99 22.760 -0.569 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 99 21.445 -1.054 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 99 22.809 1.274 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 99 23.957 -0.007 -4.708 1.00 0.00 H new ATOM 1404 N ARG A 100 19.723 1.434 -4.957 1.00 0.00 N ATOM 1405 CA ARG A 100 18.453 1.463 -5.674 1.00 0.00 C ATOM 1406 C ARG A 100 18.679 1.421 -7.182 1.00 0.00 C ATOM 1407 O ARG A 100 19.682 1.929 -7.683 1.00 0.00 O ATOM 1408 CB ARG A 100 17.661 2.717 -5.300 1.00 0.00 C ATOM 1409 CG ARG A 100 18.467 4.001 -5.414 1.00 0.00 C ATOM 1410 CD ARG A 100 18.172 4.950 -4.263 1.00 0.00 C ATOM 1411 NE ARG A 100 18.996 6.156 -4.323 1.00 0.00 N ATOM 1412 CZ ARG A 100 18.822 7.212 -3.533 1.00 0.00 C ATOM 1413 NH1 ARG A 100 17.857 7.217 -2.622 1.00 0.00 N ATOM 1414 NH2 ARG A 100 19.616 8.268 -3.653 1.00 0.00 N ATOM 0 H ARG A 100 20.498 1.876 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 100 17.881 0.581 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 100 16.785 2.789 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 100 17.297 2.616 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 100 19.531 3.764 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 100 18.238 4.492 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 100 17.119 5.229 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 100 18.347 4.438 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 100 19.748 6.190 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.244 6.408 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.729 8.030 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 100 20.360 8.270 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 100 19.483 9.078 -3.047 1.00 0.00 H new ATOM 1428 N LEU A 101 17.740 0.813 -7.900 1.00 0.00 N ATOM 1429 CA LEU A 101 17.837 0.707 -9.351 1.00 0.00 C ATOM 1430 C LEU A 101 17.891 2.088 -9.995 1.00 0.00 C ATOM 1431 O LEU A 101 17.373 3.060 -9.445 1.00 0.00 O ATOM 1432 CB LEU A 101 16.650 -0.082 -9.906 1.00 0.00 C ATOM 1433 CG LEU A 101 16.829 -0.604 -11.332 1.00 0.00 C ATOM 1434 CD1 LEU A 101 17.612 -1.908 -11.329 1.00 0.00 C ATOM 1435 CD2 LEU A 101 15.477 -0.793 -12.003 1.00 0.00 C ATOM 0 H LEU A 101 16.904 0.387 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 101 18.760 0.178 -9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.456 -0.929 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.765 0.554 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 101 17.395 0.134 -11.901 1.00 0.00 H new ATOM 0 HD11 LEU A 101 17.729 -2.264 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 101 18.595 -1.741 -10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.074 -2.654 -10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.623 -1.165 -13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.886 -1.511 -11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.952 0.162 -12.039 1.00 0.00 H new ATOM 1441 N LYS A 102 18.522 2.169 -11.162 1.00 0.00 N ATOM 1442 CA LYS A 102 18.644 3.432 -11.879 1.00 0.00 C ATOM 1443 C LYS A 102 18.968 3.193 -13.352 1.00 0.00 C ATOM 1444 O LYS A 102 19.833 3.854 -13.926 1.00 0.00 O ATOM 1445 CB LYS A 102 19.723 4.305 -11.230 1.00 0.00 C ATOM 1446 CG LYS A 102 19.190 5.612 -10.666 1.00 0.00 C ATOM 1447 CD LYS A 102 18.892 6.617 -11.769 1.00 0.00 C ATOM 1448 CE LYS A 102 19.786 7.843 -11.663 1.00 0.00 C ATOM 1449 NZ LYS A 102 20.219 8.332 -13.002 1.00 0.00 N ATOM 0 H LYS A 102 18.957 1.374 -11.631 1.00 0.00 H new ATOM 0 HA LYS A 102 17.688 3.952 -11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 102 20.201 3.741 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 102 20.494 4.525 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.283 5.419 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.919 6.035 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.034 6.145 -12.741 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.847 6.922 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.252 8.638 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 102 20.664 7.602 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.826 9.168 -12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.750 7.583 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.383 8.587 -13.566 1.00 0.00 H new ATOM 1463 N ASP A 103 18.265 2.242 -13.959 1.00 0.00 N ATOM 1464 CA ASP A 103 18.477 1.913 -15.364 1.00 0.00 C ATOM 1465 C ASP A 103 17.807 2.941 -16.271 1.00 0.00 C ATOM 1466 O ASP A 103 18.296 3.230 -17.363 1.00 0.00 O ATOM 1467 CB ASP A 103 17.934 0.516 -15.670 1.00 0.00 C ATOM 1468 CG ASP A 103 18.769 -0.214 -16.703 1.00 0.00 C ATOM 1469 OD1 ASP A 103 18.685 0.145 -17.896 1.00 0.00 O ATOM 1470 OD2 ASP A 103 19.507 -1.146 -16.320 1.00 0.00 O ATOM 0 H ASP A 103 17.544 1.686 -13.500 1.00 0.00 H new ATOM 0 HA ASP A 103 19.550 1.929 -15.557 1.00 0.00 H new ATOM 0 HB2 ASP A 103 17.905 -0.069 -14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 103 16.908 0.598 -16.028 1.00 0.00 H new ATOM 1475 N SER A 104 16.686 3.488 -15.813 1.00 0.00 N ATOM 1476 CA SER A 104 15.949 4.482 -16.586 1.00 0.00 C ATOM 1477 C SER A 104 16.054 5.861 -15.941 1.00 0.00 C ATOM 1478 O SER A 104 16.079 5.984 -14.717 1.00 0.00 O ATOM 1479 CB SER A 104 14.480 4.075 -16.710 1.00 0.00 C ATOM 1480 OG SER A 104 14.355 2.689 -16.976 1.00 0.00 O ATOM 0 H SER A 104 16.268 3.260 -14.911 1.00 0.00 H new ATOM 0 HA SER A 104 16.391 4.532 -17.581 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.952 4.320 -15.788 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.008 4.646 -17.509 1.00 0.00 H new ATOM 0 HG SER A 104 13.406 2.454 -17.049 1.00 0.00 H new ATOM 1486 N PHE A 105 16.113 6.894 -16.775 1.00 0.00 N ATOM 1487 CA PHE A 105 16.214 8.266 -16.287 1.00 0.00 C ATOM 1488 C PHE A 105 15.029 9.101 -16.766 1.00 0.00 C ATOM 1489 O PHE A 105 15.205 10.163 -17.364 1.00 0.00 O ATOM 1490 CB PHE A 105 17.528 8.905 -16.749 1.00 0.00 C ATOM 1491 CG PHE A 105 17.949 8.497 -18.134 1.00 0.00 C ATOM 1492 CD1 PHE A 105 17.062 8.576 -19.196 1.00 0.00 C ATOM 1493 CD2 PHE A 105 19.234 8.035 -18.372 1.00 0.00 C ATOM 1494 CE1 PHE A 105 17.449 8.202 -20.469 1.00 0.00 C ATOM 1495 CE2 PHE A 105 19.626 7.659 -19.643 1.00 0.00 C ATOM 1496 CZ PHE A 105 18.732 7.743 -20.692 1.00 0.00 C ATOM 0 H PHE A 105 16.093 6.808 -17.791 1.00 0.00 H new ATOM 0 HA PHE A 105 16.200 8.238 -15.197 1.00 0.00 H new ATOM 0 HB2 PHE A 105 17.425 9.990 -16.716 1.00 0.00 H new ATOM 0 HB3 PHE A 105 18.317 8.638 -16.046 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.057 8.934 -19.027 1.00 0.00 H new ATOM 0 HD2 PHE A 105 19.937 7.968 -17.555 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.749 8.269 -21.288 1.00 0.00 H new ATOM 0 HE2 PHE A 105 20.630 7.300 -19.815 1.00 0.00 H new ATOM 0 HZ PHE A 105 19.036 7.450 -21.686 1.00 0.00 H new ATOM 1506 N GLU A 106 13.822 8.614 -16.496 1.00 0.00 N ATOM 1507 CA GLU A 106 12.607 9.314 -16.899 1.00 0.00 C ATOM 1508 C GLU A 106 12.567 10.721 -16.310 1.00 0.00 C ATOM 1509 O GLU A 106 12.619 11.712 -17.039 1.00 0.00 O ATOM 1510 CB GLU A 106 11.371 8.528 -16.456 1.00 0.00 C ATOM 1511 CG GLU A 106 10.232 8.567 -17.462 1.00 0.00 C ATOM 1512 CD GLU A 106 9.088 7.649 -17.082 1.00 0.00 C ATOM 1513 OE1 GLU A 106 8.385 7.953 -16.095 1.00 0.00 O ATOM 1514 OE2 GLU A 106 8.895 6.625 -17.770 1.00 0.00 O ATOM 0 H GLU A 106 13.659 7.738 -16.000 1.00 0.00 H new ATOM 0 HA GLU A 106 12.608 9.395 -17.986 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.654 7.490 -16.281 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.018 8.927 -15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.861 9.588 -17.546 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.610 8.283 -18.444 1.00 0.00 H new ATOM 1521 N ASN A 107 12.473 10.801 -14.987 1.00 0.00 N ATOM 1522 CA ASN A 107 12.426 12.087 -14.300 1.00 0.00 C ATOM 1523 C ASN A 107 13.297 12.069 -13.049 1.00 0.00 C ATOM 1524 O ASN A 107 14.114 12.965 -12.847 1.00 99.99 O ATOM 1525 CB ASN A 107 10.984 12.437 -13.927 1.00 0.00 C ATOM 1526 CG ASN A 107 10.700 13.922 -14.045 1.00 0.00 C ATOM 1527 OD1 ASN A 107 9.960 14.356 -14.928 1.00 0.00 O ATOM 1528 ND2 ASN A 107 11.289 14.710 -13.153 1.00 0.00 N ATOM 0 H ASN A 107 12.428 9.991 -14.369 1.00 0.00 H new ATOM 0 HA ASN A 107 12.813 12.847 -14.979 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.301 11.887 -14.574 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.787 12.112 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.136 15.718 -13.183 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.895 14.307 -12.438 1.00 0.00 H new TER 1533 ASN A 107