USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 21 ASN : amide:sc= -4.48! C(o=-7.5!,f=-4.9!) USER MOD Set 1.2: A 24 SER OG : rot 80:sc= -2.97! USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A -2 MET CE :methyl -148:sc= -0.0983 (180deg=-0.769) USER MOD Single : A 2 SER OG : rot 30:sc= 1.28 USER MOD Single : A 4 GLN : amide:sc= -0.585 K(o=-0.58,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.79! K(o=-2.8!,f=-1.1) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 SER N :NH3+ -114:sc= 0.0983 (180deg=0) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0718) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0418 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 168:sc= -8.79! (180deg=-9.64!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.99 USER MOD Single : A 30 GLN : amide:sc= -4.61! C(o=-4.6!,f=-8.2!) USER MOD Single : A 35 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.31) USER MOD Single : A 36 MET CE :methyl 149:sc= -0.401 (180deg=-1.58!) USER MOD Single : A 37 ASN : amide:sc= -0.0011 X(o=-0.0011,f=-0.14) USER MOD Single : A 38 LYS NZ :NH3+ 127:sc= -0.136 (180deg=-0.598) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 89:sc= 0.0325 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=-0.017) USER MOD Single : A 50 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.045) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= -0.0985 (180deg=-0.465) USER MOD Single : A 65 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.499) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -22:sc= 0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 10.210 -1.972 -17.908 1.00 0.00 N ATOM 2 CA SER A -5 9.120 -2.899 -17.627 1.00 0.00 C ATOM 3 C SER A -5 7.769 -2.252 -17.917 1.00 0.00 C ATOM 4 O SER A -5 7.663 -1.030 -18.022 1.00 0.00 O ATOM 5 CB SER A -5 9.176 -3.359 -16.169 1.00 0.00 C ATOM 6 OG SER A -5 10.396 -4.023 -15.890 1.00 0.00 O ATOM 0 H1 SER A -5 10.771 -2.328 -18.708 1.00 0.00 H new ATOM 0 H2 SER A -5 9.819 -1.039 -18.148 1.00 0.00 H new ATOM 0 H3 SER A -5 10.818 -1.887 -17.069 1.00 0.00 H new ATOM 0 HA SER A -5 9.236 -3.766 -18.278 1.00 0.00 H new ATOM 0 HB2 SER A -5 9.067 -2.499 -15.509 1.00 0.00 H new ATOM 0 HB3 SER A -5 8.340 -4.027 -15.963 1.00 0.00 H new ATOM 0 HG SER A -5 10.408 -4.305 -14.952 1.00 0.00 H new ATOM 12 N ASP A -4 6.738 -3.081 -18.045 1.00 0.00 N ATOM 13 CA ASP A -4 5.393 -2.591 -18.321 1.00 0.00 C ATOM 14 C ASP A -4 4.343 -3.509 -17.704 1.00 0.00 C ATOM 15 O ASP A -4 4.177 -4.653 -18.128 1.00 0.00 O ATOM 16 CB ASP A -4 5.168 -2.480 -19.830 1.00 0.00 C ATOM 17 CG ASP A -4 5.562 -1.122 -20.376 1.00 0.00 C ATOM 18 OD1 ASP A -4 6.753 -0.761 -20.265 1.00 0.00 O ATOM 19 OD2 ASP A -4 4.681 -0.419 -20.913 1.00 0.00 O ATOM 0 H ASP A -4 6.809 -4.095 -17.962 1.00 0.00 H new ATOM 0 HA ASP A -4 5.294 -1.602 -17.873 1.00 0.00 H new ATOM 0 HB2 ASP A -4 5.744 -3.254 -20.338 1.00 0.00 H new ATOM 0 HB3 ASP A -4 4.117 -2.667 -20.052 1.00 0.00 H new ATOM 24 N HIS A -3 3.637 -3.000 -16.699 1.00 0.00 N ATOM 25 CA HIS A -3 2.602 -3.775 -16.022 1.00 0.00 C ATOM 26 C HIS A -3 2.988 -5.250 -15.949 1.00 0.00 C ATOM 27 O HIS A -3 2.166 -6.129 -16.203 1.00 0.00 O ATOM 28 CB HIS A -3 1.265 -3.621 -16.746 1.00 0.00 C ATOM 29 CG HIS A -3 0.514 -2.383 -16.362 1.00 0.00 C ATOM 30 ND1 HIS A -3 -0.524 -2.384 -15.455 1.00 0.00 N ATOM 31 CD2 HIS A -3 0.659 -1.099 -16.765 1.00 0.00 C ATOM 32 CE1 HIS A -3 -0.988 -1.154 -15.319 1.00 0.00 C ATOM 33 NE2 HIS A -3 -0.287 -0.356 -16.103 1.00 0.00 N ATOM 0 H HIS A -3 3.762 -2.055 -16.335 1.00 0.00 H new ATOM 0 HA HIS A -3 2.502 -3.393 -15.006 1.00 0.00 H new ATOM 0 HB2 HIS A -3 1.443 -3.609 -17.821 1.00 0.00 H new ATOM 0 HB3 HIS A -3 0.645 -4.492 -16.535 1.00 0.00 H new ATOM 0 HD2 HIS A -3 1.384 -0.728 -17.475 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -1.802 -0.853 -14.676 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -0.426 0.650 -16.201 1.00 0.00 H new ATOM 42 N MET A -2 4.244 -5.511 -15.602 1.00 0.00 N ATOM 43 CA MET A -2 4.738 -6.879 -15.495 1.00 0.00 C ATOM 44 C MET A -2 4.893 -7.289 -14.034 1.00 0.00 C ATOM 45 O MET A -2 5.953 -7.106 -13.436 1.00 0.00 O ATOM 46 CB MET A -2 6.078 -7.018 -16.221 1.00 0.00 C ATOM 47 CG MET A -2 6.672 -8.415 -16.137 1.00 0.00 C ATOM 48 SD MET A -2 5.942 -9.553 -17.329 1.00 0.00 S ATOM 49 CE MET A -2 4.677 -10.329 -16.326 1.00 0.00 C ATOM 0 H MET A -2 4.938 -4.794 -15.390 1.00 0.00 H new ATOM 0 HA MET A -2 4.009 -7.540 -15.963 1.00 0.00 H new ATOM 0 HB2 MET A -2 5.943 -6.752 -17.269 1.00 0.00 H new ATOM 0 HB3 MET A -2 6.786 -6.305 -15.799 1.00 0.00 H new ATOM 0 HG2 MET A -2 7.747 -8.359 -16.306 1.00 0.00 H new ATOM 0 HG3 MET A -2 6.527 -8.807 -15.130 1.00 0.00 H new ATOM 0 HE1 MET A -2 4.534 -11.359 -16.653 1.00 0.00 H new ATOM 0 HE2 MET A -2 4.985 -10.320 -15.280 1.00 0.00 H new ATOM 0 HE3 MET A -2 3.741 -9.781 -16.433 1.00 0.00 H new ATOM 59 N THR A -1 3.828 -7.846 -13.465 1.00 0.00 N ATOM 60 CA THR A -1 3.845 -8.280 -12.074 1.00 0.00 C ATOM 61 C THR A -1 4.402 -9.694 -11.946 1.00 0.00 C ATOM 62 O THR A -1 3.977 -10.604 -12.657 1.00 0.00 O ATOM 63 CB THR A -1 2.435 -8.238 -11.454 1.00 0.00 C ATOM 64 OG1 THR A -1 1.853 -6.944 -11.650 1.00 0.00 O ATOM 65 CG2 THR A -1 2.487 -8.557 -9.968 1.00 0.00 C ATOM 0 H THR A -1 2.943 -8.007 -13.946 1.00 0.00 H new ATOM 0 HA THR A -1 4.491 -7.587 -11.535 1.00 0.00 H new ATOM 0 HB THR A -1 1.822 -8.991 -11.949 1.00 0.00 H new ATOM 0 HG1 THR A -1 0.956 -6.925 -11.255 1.00 0.00 H new ATOM 0 HG21 THR A -1 1.480 -8.521 -9.553 1.00 0.00 H new ATOM 0 HG22 THR A -1 2.904 -9.554 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A -1 3.115 -7.825 -9.460 1.00 0.00 H new ATOM 73 N MET A 1 5.353 -9.870 -11.036 1.00 0.00 N ATOM 74 CA MET A 1 5.967 -11.174 -10.814 1.00 0.00 C ATOM 75 C MET A 1 5.699 -11.667 -9.396 1.00 0.00 C ATOM 76 O MET A 1 5.654 -12.871 -9.145 1.00 0.00 O ATOM 77 CB MET A 1 7.474 -11.103 -11.066 1.00 0.00 C ATOM 78 CG MET A 1 7.854 -11.263 -12.529 1.00 0.00 C ATOM 79 SD MET A 1 7.897 -12.989 -13.050 1.00 0.00 S ATOM 80 CE MET A 1 7.091 -12.880 -14.646 1.00 0.00 C ATOM 0 H MET A 1 5.716 -9.126 -10.440 1.00 0.00 H new ATOM 0 HA MET A 1 5.523 -11.880 -11.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.850 -10.146 -10.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.968 -11.880 -10.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.141 -10.718 -13.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.832 -10.812 -12.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.041 -13.871 -15.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.082 -12.488 -14.518 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.659 -12.214 -15.296 1.00 0.00 H new ATOM 90 N SER A 2 5.522 -10.728 -8.471 1.00 0.00 N ATOM 91 CA SER A 2 5.263 -11.068 -7.077 1.00 0.00 C ATOM 92 C SER A 2 4.920 -9.820 -6.269 1.00 0.00 C ATOM 93 O SER A 2 5.234 -8.699 -6.672 1.00 0.00 O ATOM 94 CB SER A 2 6.478 -11.767 -6.466 1.00 0.00 C ATOM 95 OG SER A 2 6.413 -13.169 -6.664 1.00 0.00 O ATOM 0 H SER A 2 5.553 -9.727 -8.662 1.00 0.00 H new ATOM 0 HA SER A 2 4.410 -11.746 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.391 -11.375 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.528 -11.549 -5.399 1.00 0.00 H new ATOM 0 HG SER A 2 5.924 -13.360 -7.491 1.00 0.00 H new ATOM 101 N LEU A 3 4.275 -10.022 -5.126 1.00 0.00 N ATOM 102 CA LEU A 3 3.889 -8.914 -4.259 1.00 0.00 C ATOM 103 C LEU A 3 5.022 -7.901 -4.133 1.00 0.00 C ATOM 104 O LEU A 3 4.787 -6.724 -3.858 1.00 0.00 O ATOM 105 CB LEU A 3 3.499 -9.435 -2.874 1.00 0.00 C ATOM 106 CG LEU A 3 2.774 -8.444 -1.963 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.304 -8.348 -2.341 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.926 -8.851 -0.505 1.00 0.00 C ATOM 0 H LEU A 3 4.008 -10.943 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 3 3.029 -8.416 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.863 -10.311 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.403 -9.770 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 3 3.226 -7.461 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.804 -7.638 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.215 -8.009 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.837 -9.328 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.404 -8.135 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.500 -9.844 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.983 -8.867 -0.240 1.00 0.00 H new ATOM 120 N GLN A 4 6.250 -8.366 -4.337 1.00 0.00 N ATOM 121 CA GLN A 4 7.419 -7.500 -4.247 1.00 0.00 C ATOM 122 C GLN A 4 7.215 -6.224 -5.058 1.00 0.00 C ATOM 123 O GLN A 4 7.403 -5.118 -4.552 1.00 0.00 O ATOM 124 CB GLN A 4 8.666 -8.237 -4.739 1.00 0.00 C ATOM 125 CG GLN A 4 8.963 -9.512 -3.966 1.00 0.00 C ATOM 126 CD GLN A 4 9.788 -9.259 -2.719 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.965 -9.615 -2.657 1.00 0.00 O ATOM 128 NE2 GLN A 4 9.173 -8.642 -1.718 1.00 0.00 N ATOM 0 H GLN A 4 6.461 -9.337 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 4 7.557 -7.226 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.541 -8.482 -5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.525 -7.570 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.024 -9.989 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.494 -10.210 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.196 -8.365 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.677 -8.445 -0.854 1.00 0.00 H new ATOM 137 N MET A 5 6.830 -6.387 -6.320 1.00 0.00 N ATOM 138 CA MET A 5 6.600 -5.248 -7.201 1.00 0.00 C ATOM 139 C MET A 5 5.491 -4.353 -6.655 1.00 0.00 C ATOM 140 O MET A 5 5.407 -3.174 -6.999 1.00 0.00 O ATOM 141 CB MET A 5 6.238 -5.728 -8.607 1.00 0.00 C ATOM 142 CG MET A 5 6.137 -4.605 -9.627 1.00 0.00 C ATOM 143 SD MET A 5 6.458 -5.164 -11.310 1.00 0.00 S ATOM 144 CE MET A 5 6.129 -3.665 -12.234 1.00 0.00 C ATOM 0 H MET A 5 6.671 -7.296 -6.755 1.00 0.00 H new ATOM 0 HA MET A 5 7.521 -4.667 -7.250 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.988 -6.445 -8.941 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.286 -6.258 -8.567 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.141 -4.164 -9.579 1.00 0.00 H new ATOM 0 HG3 MET A 5 6.847 -3.819 -9.368 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.285 -3.851 -13.297 1.00 0.00 H new ATOM 0 HE2 MET A 5 5.098 -3.354 -12.068 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.804 -2.877 -11.901 1.00 0.00 H new ATOM 154 N ILE A 6 4.644 -4.922 -5.805 1.00 0.00 N ATOM 155 CA ILE A 6 3.541 -4.176 -5.211 1.00 0.00 C ATOM 156 C ILE A 6 4.014 -3.351 -4.019 1.00 0.00 C ATOM 157 O ILE A 6 3.990 -2.121 -4.053 1.00 0.00 O ATOM 158 CB ILE A 6 2.407 -5.113 -4.756 1.00 0.00 C ATOM 159 CG1 ILE A 6 1.806 -5.844 -5.958 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.335 -4.327 -4.016 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.831 -6.583 -6.790 1.00 0.00 C ATOM 0 H ILE A 6 4.700 -5.897 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 6 3.160 -3.508 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 6 2.821 -5.855 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.057 -6.553 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.289 -5.123 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.540 -5.003 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.774 -3.849 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.922 -3.565 -4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.334 -7.078 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.567 -5.876 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.332 -7.329 -6.172 1.00 0.00 H new ATOM 173 N VAL A 7 4.446 -4.037 -2.966 1.00 0.00 N ATOM 174 CA VAL A 7 4.928 -3.369 -1.763 1.00 0.00 C ATOM 175 C VAL A 7 6.113 -2.461 -2.076 1.00 0.00 C ATOM 176 O VAL A 7 6.277 -1.407 -1.464 1.00 0.00 O ATOM 177 CB VAL A 7 5.346 -4.386 -0.685 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.151 -4.779 0.171 1.00 0.00 C ATOM 179 CG2 VAL A 7 5.979 -5.612 -1.326 1.00 0.00 C ATOM 0 H VAL A 7 4.472 -5.056 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 7 4.102 -2.767 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 7 6.088 -3.919 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.466 -5.498 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.746 -3.893 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.384 -5.228 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.268 -6.320 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.261 -6.083 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.862 -5.312 -1.891 1.00 0.00 H new ATOM 189 N GLU A 8 6.935 -2.880 -3.033 1.00 0.00 N ATOM 190 CA GLU A 8 8.105 -2.104 -3.427 1.00 0.00 C ATOM 191 C GLU A 8 7.692 -0.763 -4.028 1.00 0.00 C ATOM 192 O GLU A 8 8.359 0.251 -3.828 1.00 0.00 O ATOM 193 CB GLU A 8 8.950 -2.888 -4.433 1.00 0.00 C ATOM 194 CG GLU A 8 9.667 -4.081 -3.826 1.00 0.00 C ATOM 195 CD GLU A 8 11.025 -3.718 -3.257 1.00 0.00 C ATOM 196 OE1 GLU A 8 12.008 -3.709 -4.027 1.00 0.00 O ATOM 197 OE2 GLU A 8 11.104 -3.443 -2.041 1.00 0.00 O ATOM 0 H GLU A 8 6.813 -3.751 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 8 8.700 -1.914 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.308 -3.234 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.687 -2.218 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.049 -4.508 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.790 -4.852 -4.587 1.00 0.00 H new ATOM 204 N ASN A 9 6.587 -0.768 -4.767 1.00 0.00 N ATOM 205 CA ASN A 9 6.085 0.446 -5.399 1.00 0.00 C ATOM 206 C ASN A 9 5.832 1.535 -4.361 1.00 0.00 C ATOM 207 O ASN A 9 6.063 2.717 -4.617 1.00 0.00 O ATOM 208 CB ASN A 9 4.795 0.150 -6.168 1.00 0.00 C ATOM 209 CG ASN A 9 5.059 -0.263 -7.603 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.274 0.038 -8.502 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.171 -0.956 -7.824 1.00 0.00 N ATOM 0 H ASN A 9 6.023 -1.599 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 9 6.843 0.802 -6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.246 -0.643 -5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.159 1.035 -6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.403 -1.261 -8.769 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.793 -1.183 -7.048 1.00 0.00 H new ATOM 218 N VAL A 10 5.358 1.129 -3.188 1.00 0.00 N ATOM 219 CA VAL A 10 5.076 2.069 -2.110 1.00 0.00 C ATOM 220 C VAL A 10 6.302 2.913 -1.782 1.00 0.00 C ATOM 221 O VAL A 10 6.211 4.133 -1.645 1.00 0.00 O ATOM 222 CB VAL A 10 4.613 1.338 -0.835 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.227 2.339 0.243 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.453 0.405 -1.148 1.00 0.00 C ATOM 0 H VAL A 10 5.161 0.155 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 10 4.274 2.719 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 10 5.441 0.737 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.903 1.805 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.088 2.962 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.414 2.968 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.139 -0.103 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.619 0.982 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.769 -0.334 -1.885 1.00 0.00 H new ATOM 234 N LYS A 11 7.450 2.255 -1.657 1.00 0.00 N ATOM 235 CA LYS A 11 8.697 2.944 -1.347 1.00 0.00 C ATOM 236 C LYS A 11 8.991 4.028 -2.379 1.00 0.00 C ATOM 237 O LYS A 11 9.530 5.085 -2.048 1.00 0.00 O ATOM 238 CB LYS A 11 9.856 1.946 -1.296 1.00 0.00 C ATOM 239 CG LYS A 11 9.645 0.820 -0.298 1.00 0.00 C ATOM 240 CD LYS A 11 9.249 1.352 1.069 1.00 0.00 C ATOM 241 CE LYS A 11 9.700 0.419 2.182 1.00 0.00 C ATOM 242 NZ LYS A 11 11.169 0.499 2.412 1.00 0.00 N ATOM 0 H LYS A 11 7.542 1.245 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 11 8.589 3.416 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.000 1.519 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.772 2.479 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.870 0.147 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.560 0.234 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.689 2.338 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.167 1.476 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.174 0.671 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.427 -0.606 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.404 0.041 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.668 0.015 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.462 1.496 2.443 1.00 0.00 H new ATOM 256 N LEU A 12 8.633 3.760 -3.630 1.00 0.00 N ATOM 257 CA LEU A 12 8.857 4.714 -4.711 1.00 0.00 C ATOM 258 C LEU A 12 7.936 5.921 -4.572 1.00 0.00 C ATOM 259 O LEU A 12 8.360 7.062 -4.752 1.00 0.00 O ATOM 260 CB LEU A 12 8.634 4.040 -6.066 1.00 0.00 C ATOM 261 CG LEU A 12 8.955 4.888 -7.298 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.863 5.919 -7.536 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.307 5.567 -7.140 1.00 0.00 C ATOM 0 H LEU A 12 8.187 2.890 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 12 9.889 5.060 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.241 3.136 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.592 3.727 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 12 9.000 4.231 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.109 6.513 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.912 5.411 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.785 6.573 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.519 6.166 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.290 6.212 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.082 4.810 -7.020 1.00 0.00 H new ATOM 275 N ALA A 13 6.673 5.661 -4.249 1.00 0.00 N ATOM 276 CA ALA A 13 5.692 6.727 -4.081 1.00 0.00 C ATOM 277 C ALA A 13 5.927 7.489 -2.782 1.00 0.00 C ATOM 278 O ALA A 13 5.588 8.668 -2.673 1.00 0.00 O ATOM 279 CB ALA A 13 4.282 6.156 -4.113 1.00 0.00 C ATOM 0 H ALA A 13 6.305 4.722 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 13 5.807 7.427 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.560 6.963 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.111 5.663 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.164 5.433 -3.306 1.00 0.00 H new ATOM 285 N ARG A 14 6.509 6.810 -1.799 1.00 0.00 N ATOM 286 CA ARG A 14 6.787 7.424 -0.506 1.00 0.00 C ATOM 287 C ARG A 14 7.890 8.471 -0.628 1.00 0.00 C ATOM 288 O ARG A 14 7.846 9.511 0.029 1.00 0.00 O ATOM 289 CB ARG A 14 7.193 6.357 0.512 1.00 0.00 C ATOM 290 CG ARG A 14 6.022 5.783 1.292 1.00 0.00 C ATOM 291 CD ARG A 14 6.490 4.820 2.372 1.00 0.00 C ATOM 292 NE ARG A 14 7.367 5.470 3.342 1.00 0.00 N ATOM 293 CZ ARG A 14 8.676 5.613 3.169 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.257 5.155 2.068 1.00 0.00 N ATOM 295 NH2 ARG A 14 9.408 6.216 4.097 1.00 0.00 N ATOM 0 H ARG A 14 6.797 5.834 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 14 5.878 7.917 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.704 5.547 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.908 6.788 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.454 6.594 1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.347 5.266 0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.624 4.405 2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.016 3.985 1.910 1.00 0.00 H new ATOM 0 HE ARG A 14 6.951 5.834 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.698 4.692 1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.263 5.266 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.965 6.571 4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.413 6.325 3.963 1.00 0.00 H new ATOM 309 N GLU A 15 8.877 8.189 -1.472 1.00 0.00 N ATOM 310 CA GLU A 15 9.991 9.107 -1.678 1.00 0.00 C ATOM 311 C GLU A 15 9.558 10.310 -2.511 1.00 0.00 C ATOM 312 O GLU A 15 9.917 11.449 -2.210 1.00 0.00 O ATOM 313 CB GLU A 15 11.153 8.388 -2.367 1.00 0.00 C ATOM 314 CG GLU A 15 12.507 9.024 -2.100 1.00 0.00 C ATOM 315 CD GLU A 15 13.643 8.021 -2.152 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.906 7.479 -3.246 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.269 7.778 -1.099 1.00 0.00 O ATOM 0 H GLU A 15 8.928 7.333 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 15 10.320 9.462 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.176 7.351 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.974 8.373 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.687 9.809 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.493 9.501 -1.120 1.00 0.00 H new ATOM 324 N TYR A 16 8.786 10.049 -3.559 1.00 0.00 N ATOM 325 CA TYR A 16 8.306 11.109 -4.438 1.00 0.00 C ATOM 326 C TYR A 16 7.507 12.146 -3.655 1.00 0.00 C ATOM 327 O TYR A 16 7.650 13.349 -3.871 1.00 0.00 O ATOM 328 CB TYR A 16 7.443 10.522 -5.556 1.00 0.00 C ATOM 329 CG TYR A 16 8.243 9.859 -6.654 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.369 9.100 -6.359 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.872 9.989 -7.987 1.00 0.00 C ATOM 332 CE1 TYR A 16 10.104 8.494 -7.360 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.599 9.385 -8.994 1.00 0.00 C ATOM 334 CZ TYR A 16 9.715 8.638 -8.675 1.00 0.00 C ATOM 335 OH TYR A 16 10.443 8.034 -9.674 1.00 0.00 O ATOM 0 H TYR A 16 8.479 9.112 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 16 9.173 11.601 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.756 9.793 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.835 11.316 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.675 8.982 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.999 10.573 -8.240 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.979 7.910 -7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.296 9.496 -10.025 1.00 0.00 H new ATOM 0 HH TYR A 16 10.035 8.233 -10.542 1.00 0.00 H new ATOM 345 N ALA A 17 6.666 11.670 -2.742 1.00 0.00 N ATOM 346 CA ALA A 17 5.846 12.554 -1.924 1.00 0.00 C ATOM 347 C ALA A 17 6.703 13.595 -1.211 1.00 0.00 C ATOM 348 O ALA A 17 6.343 14.771 -1.146 1.00 0.00 O ATOM 349 CB ALA A 17 5.045 11.746 -0.914 1.00 0.00 C ATOM 0 H ALA A 17 6.535 10.677 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 17 5.155 13.080 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.437 12.419 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.397 11.046 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.727 11.194 -0.267 1.00 0.00 H new ATOM 355 N LEU A 18 7.838 13.155 -0.679 1.00 0.00 N ATOM 356 CA LEU A 18 8.747 14.049 0.030 1.00 0.00 C ATOM 357 C LEU A 18 9.496 14.950 -0.946 1.00 0.00 C ATOM 358 O LEU A 18 9.519 16.171 -0.788 1.00 0.00 O ATOM 359 CB LEU A 18 9.743 13.240 0.863 1.00 0.00 C ATOM 360 CG LEU A 18 9.204 11.955 1.493 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.207 11.384 2.483 1.00 0.00 C ATOM 362 CD2 LEU A 18 7.868 12.215 2.174 1.00 0.00 C ATOM 0 H LEU A 18 8.151 12.185 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 18 8.154 14.678 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.591 12.982 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.124 13.879 1.659 1.00 0.00 H new ATOM 0 HG LEU A 18 9.049 11.222 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.806 10.470 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.140 11.160 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.395 12.112 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.499 11.290 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.997 12.965 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.149 12.577 1.439 1.00 0.00 H new ATOM 374 N LEU A 19 10.106 14.340 -1.956 1.00 0.00 N ATOM 375 CA LEU A 19 10.855 15.087 -2.961 1.00 0.00 C ATOM 376 C LEU A 19 10.068 16.305 -3.433 1.00 0.00 C ATOM 377 O LEU A 19 10.640 17.269 -3.939 1.00 0.00 O ATOM 378 CB LEU A 19 11.188 14.187 -4.152 1.00 0.00 C ATOM 379 CG LEU A 19 12.113 13.004 -3.862 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.862 12.592 -5.119 1.00 0.00 C ATOM 381 CD2 LEU A 19 13.089 13.352 -2.747 1.00 0.00 C ATOM 0 H LEU A 19 10.097 13.330 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 19 11.783 15.432 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.255 13.801 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.647 14.800 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 19 11.503 12.162 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.515 11.749 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.148 12.302 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.461 13.430 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.740 12.499 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.693 14.209 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.534 13.598 -1.841 1.00 0.00 H new ATOM 393 N GLY A 20 8.750 16.254 -3.263 1.00 0.00 N ATOM 394 CA GLY A 20 7.905 17.359 -3.675 1.00 0.00 C ATOM 395 C GLY A 20 6.826 16.932 -4.650 1.00 0.00 C ATOM 396 O GLY A 20 5.909 17.697 -4.946 1.00 0.00 O ATOM 0 H GLY A 20 8.253 15.467 -2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.440 17.804 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.521 18.131 -4.135 1.00 0.00 H new ATOM 400 N ASN A 21 6.937 15.707 -5.153 1.00 0.00 N ATOM 401 CA ASN A 21 5.964 15.180 -6.103 1.00 0.00 C ATOM 402 C ASN A 21 5.030 14.179 -5.428 1.00 0.00 C ATOM 403 O ASN A 21 5.416 13.043 -5.152 1.00 0.00 O ATOM 404 CB ASN A 21 6.678 14.513 -7.280 1.00 0.00 C ATOM 405 CG ASN A 21 5.892 14.624 -8.572 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.465 14.641 -9.661 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.571 14.700 -8.456 1.00 0.00 N ATOM 0 H ASN A 21 7.691 15.061 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 21 5.368 16.014 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.658 14.971 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.847 13.461 -7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.989 14.776 -9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.138 14.682 -7.533 1.00 0.00 H new ATOM 414 N TYR A 22 3.802 14.610 -5.165 1.00 0.00 N ATOM 415 CA TYR A 22 2.813 13.753 -4.520 1.00 0.00 C ATOM 416 C TYR A 22 1.881 13.125 -5.551 1.00 0.00 C ATOM 417 O TYR A 22 1.521 11.952 -5.447 1.00 0.00 O ATOM 418 CB TYR A 22 2.000 14.553 -3.501 1.00 0.00 C ATOM 419 CG TYR A 22 2.800 15.626 -2.797 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.117 16.818 -3.439 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.239 15.449 -1.491 1.00 0.00 C ATOM 422 CE1 TYR A 22 3.847 17.801 -2.800 1.00 0.00 C ATOM 423 CE2 TYR A 22 3.969 16.427 -0.844 1.00 0.00 C ATOM 424 CZ TYR A 22 4.271 17.601 -1.502 1.00 0.00 C ATOM 425 OH TYR A 22 4.999 18.577 -0.862 1.00 0.00 O ATOM 0 H TYR A 22 3.467 15.547 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 22 3.345 12.954 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.153 15.016 -4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.591 13.869 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.787 16.978 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.005 14.531 -0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.085 18.721 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.302 16.273 0.172 1.00 0.00 H new ATOM 0 HH TYR A 22 5.218 18.279 0.046 1.00 0.00 H new ATOM 435 N ASP A 23 1.495 13.914 -6.548 1.00 0.00 N ATOM 436 CA ASP A 23 0.605 13.437 -7.601 1.00 0.00 C ATOM 437 C ASP A 23 1.141 12.151 -8.222 1.00 0.00 C ATOM 438 O ASP A 23 0.378 11.238 -8.537 1.00 0.00 O ATOM 439 CB ASP A 23 0.437 14.508 -8.679 1.00 0.00 C ATOM 440 CG ASP A 23 -0.873 14.371 -9.431 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.864 13.921 -8.819 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.906 14.716 -10.631 1.00 0.00 O ATOM 0 H ASP A 23 1.784 14.887 -6.649 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.367 13.226 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.487 15.494 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.266 14.443 -9.384 1.00 0.00 H new ATOM 447 N SER A 24 2.457 12.087 -8.397 1.00 0.00 N ATOM 448 CA SER A 24 3.094 10.915 -8.985 1.00 0.00 C ATOM 449 C SER A 24 3.008 9.719 -8.042 1.00 0.00 C ATOM 450 O SER A 24 2.977 8.569 -8.481 1.00 0.00 O ATOM 451 CB SER A 24 4.557 11.215 -9.315 1.00 0.00 C ATOM 452 OG SER A 24 5.115 12.122 -8.380 1.00 0.00 O ATOM 0 H SER A 24 3.103 12.833 -8.140 1.00 0.00 H new ATOM 0 HA SER A 24 2.565 10.668 -9.905 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.131 10.288 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.628 11.633 -10.319 1.00 0.00 H new ATOM 0 HG SER A 24 5.364 11.639 -7.564 1.00 0.00 H new ATOM 458 N ALA A 25 2.970 9.999 -6.744 1.00 0.00 N ATOM 459 CA ALA A 25 2.886 8.947 -5.738 1.00 0.00 C ATOM 460 C ALA A 25 1.491 8.333 -5.700 1.00 0.00 C ATOM 461 O ALA A 25 1.335 7.138 -5.452 1.00 0.00 O ATOM 462 CB ALA A 25 3.260 9.496 -4.368 1.00 0.00 C ATOM 0 H ALA A 25 2.996 10.945 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 25 3.592 8.162 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.193 8.700 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.279 9.881 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.576 10.301 -4.099 1.00 0.00 H new ATOM 468 N MET A 26 0.479 9.159 -5.949 1.00 0.00 N ATOM 469 CA MET A 26 -0.904 8.696 -5.944 1.00 0.00 C ATOM 470 C MET A 26 -1.092 7.537 -6.918 1.00 0.00 C ATOM 471 O MET A 26 -1.633 6.491 -6.556 1.00 0.00 O ATOM 472 CB MET A 26 -1.849 9.842 -6.308 1.00 0.00 C ATOM 473 CG MET A 26 -1.803 11.003 -5.328 1.00 0.00 C ATOM 474 SD MET A 26 -1.859 10.463 -3.609 1.00 0.00 S ATOM 475 CE MET A 26 -0.121 10.174 -3.288 1.00 0.00 C ATOM 0 H MET A 26 0.591 10.151 -6.157 1.00 0.00 H new ATOM 0 HA MET A 26 -1.140 8.345 -4.939 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.597 10.207 -7.303 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.868 9.459 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.892 11.578 -5.495 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.642 11.671 -5.522 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.034 10.042 -2.217 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.202 9.276 -3.815 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.460 11.028 -3.637 1.00 0.00 H new ATOM 485 N VAL A 27 -0.643 7.729 -8.154 1.00 0.00 N ATOM 486 CA VAL A 27 -0.762 6.699 -9.179 1.00 0.00 C ATOM 487 C VAL A 27 -0.197 5.370 -8.691 1.00 0.00 C ATOM 488 O VAL A 27 -0.785 4.312 -8.917 1.00 0.00 O ATOM 489 CB VAL A 27 -0.034 7.109 -10.473 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.106 8.615 -10.672 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.411 6.635 -10.445 1.00 0.00 C ATOM 0 H VAL A 27 -0.193 8.588 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.825 6.583 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.532 6.631 -11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.414 8.886 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.149 8.923 -10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.366 9.117 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.910 6.933 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.924 7.082 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.436 5.549 -10.354 1.00 0.00 H new ATOM 501 N TYR A 28 0.948 5.431 -8.019 1.00 0.00 N ATOM 502 CA TYR A 28 1.594 4.232 -7.500 1.00 0.00 C ATOM 503 C TYR A 28 0.809 3.654 -6.327 1.00 0.00 C ATOM 504 O TYR A 28 0.530 2.456 -6.281 1.00 0.00 O ATOM 505 CB TYR A 28 3.026 4.547 -7.064 1.00 0.00 C ATOM 506 CG TYR A 28 4.047 4.371 -8.166 1.00 0.00 C ATOM 507 CD1 TYR A 28 4.287 5.384 -9.086 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.773 3.192 -8.286 1.00 0.00 C ATOM 509 CE1 TYR A 28 5.218 5.228 -10.095 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.707 3.028 -9.291 1.00 0.00 C ATOM 511 CZ TYR A 28 5.925 4.048 -10.193 1.00 0.00 C ATOM 512 OH TYR A 28 6.854 3.889 -11.195 1.00 0.00 O ATOM 0 H TYR A 28 1.447 6.298 -7.821 1.00 0.00 H new ATOM 0 HA TYR A 28 1.619 3.490 -8.298 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.069 5.574 -6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.292 3.902 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.736 6.310 -9.011 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.604 2.391 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.391 6.025 -10.803 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.263 2.106 -9.370 1.00 0.00 H new ATOM 0 HH TYR A 28 7.264 3.002 -11.123 1.00 0.00 H new ATOM 522 N TYR A 29 0.455 4.516 -5.380 1.00 0.00 N ATOM 523 CA TYR A 29 -0.297 4.093 -4.204 1.00 0.00 C ATOM 524 C TYR A 29 -1.581 3.375 -4.608 1.00 0.00 C ATOM 525 O TYR A 29 -1.863 2.273 -4.136 1.00 0.00 O ATOM 526 CB TYR A 29 -0.629 5.299 -3.324 1.00 0.00 C ATOM 527 CG TYR A 29 0.428 5.600 -2.286 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.651 4.735 -1.221 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.204 6.750 -2.369 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.615 5.007 -0.269 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.172 7.028 -1.423 1.00 0.00 C ATOM 532 CZ TYR A 29 2.373 6.154 -0.375 1.00 0.00 C ATOM 533 OH TYR A 29 3.335 6.429 0.570 1.00 0.00 O ATOM 0 H TYR A 29 0.677 5.511 -5.404 1.00 0.00 H new ATOM 0 HA TYR A 29 0.324 3.398 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.763 6.175 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.580 5.121 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.061 3.835 -1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.048 7.438 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.774 4.325 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.768 7.925 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 29 3.779 7.274 0.348 1.00 0.00 H new ATOM 543 N GLN A 30 -2.354 4.008 -5.484 1.00 0.00 N ATOM 544 CA GLN A 30 -3.609 3.430 -5.952 1.00 0.00 C ATOM 545 C GLN A 30 -3.381 2.046 -6.551 1.00 0.00 C ATOM 546 O GLN A 30 -4.166 1.125 -6.328 1.00 0.00 O ATOM 547 CB GLN A 30 -4.261 4.346 -6.988 1.00 0.00 C ATOM 548 CG GLN A 30 -5.747 4.087 -7.180 1.00 0.00 C ATOM 549 CD GLN A 30 -6.111 2.625 -7.008 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.054 1.843 -7.957 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.489 2.249 -5.792 1.00 0.00 N ATOM 0 H GLN A 30 -2.134 4.920 -5.884 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.276 3.330 -5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.118 5.383 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.752 4.220 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.312 4.685 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.044 4.417 -8.176 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.522 2.931 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.747 1.278 -5.615 1.00 0.00 H new ATOM 560 N GLY A 31 -2.300 1.907 -7.312 1.00 0.00 N ATOM 561 CA GLY A 31 -1.989 0.632 -7.932 1.00 0.00 C ATOM 562 C GLY A 31 -1.594 -0.424 -6.919 1.00 0.00 C ATOM 563 O GLY A 31 -2.055 -1.564 -6.987 1.00 0.00 O ATOM 0 H GLY A 31 -1.634 2.654 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.855 0.285 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.177 0.767 -8.647 1.00 0.00 H new ATOM 567 N VAL A 32 -0.737 -0.047 -5.976 1.00 0.00 N ATOM 568 CA VAL A 32 -0.280 -0.970 -4.944 1.00 0.00 C ATOM 569 C VAL A 32 -1.447 -1.484 -4.110 1.00 0.00 C ATOM 570 O VAL A 32 -1.541 -2.678 -3.822 1.00 0.00 O ATOM 571 CB VAL A 32 0.750 -0.304 -4.012 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.164 -1.260 -2.903 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.962 0.163 -4.804 1.00 0.00 C ATOM 0 H VAL A 32 -0.345 0.892 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 32 0.193 -1.808 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 32 0.286 0.569 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.892 -0.772 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.288 -1.540 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.609 -2.154 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.679 0.631 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.429 -0.692 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.648 0.885 -5.558 1.00 0.00 H new ATOM 583 N LEU A 33 -2.336 -0.575 -3.724 1.00 0.00 N ATOM 584 CA LEU A 33 -3.500 -0.936 -2.922 1.00 0.00 C ATOM 585 C LEU A 33 -4.421 -1.877 -3.692 1.00 0.00 C ATOM 586 O LEU A 33 -5.005 -2.798 -3.118 1.00 0.00 O ATOM 587 CB LEU A 33 -4.268 0.321 -2.508 1.00 0.00 C ATOM 588 CG LEU A 33 -3.715 1.077 -1.299 1.00 0.00 C ATOM 589 CD1 LEU A 33 -2.202 0.945 -1.233 1.00 0.00 C ATOM 590 CD2 LEU A 33 -4.123 2.542 -1.354 1.00 0.00 C ATOM 0 H LEU A 33 -2.273 0.417 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.149 -1.451 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.293 1.003 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.299 0.039 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.137 0.637 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.827 1.489 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.932 -0.107 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.761 1.358 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.721 3.065 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.730 2.995 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.210 2.617 -1.351 1.00 0.00 H new ATOM 602 N ASP A 34 -4.545 -1.642 -4.993 1.00 0.00 N ATOM 603 CA ASP A 34 -5.392 -2.471 -5.843 1.00 0.00 C ATOM 604 C ASP A 34 -4.765 -3.844 -6.061 1.00 0.00 C ATOM 605 O ASP A 34 -5.437 -4.869 -5.945 1.00 0.00 O ATOM 606 CB ASP A 34 -5.629 -1.785 -7.189 1.00 0.00 C ATOM 607 CG ASP A 34 -6.846 -0.881 -7.173 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.360 -0.598 -6.070 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.284 -0.457 -8.262 1.00 0.00 O ATOM 0 H ASP A 34 -4.070 -0.884 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.349 -2.605 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.749 -1.200 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.753 -2.543 -7.963 1.00 0.00 H new ATOM 614 N GLN A 35 -3.475 -3.856 -6.379 1.00 0.00 N ATOM 615 CA GLN A 35 -2.758 -5.104 -6.615 1.00 0.00 C ATOM 616 C GLN A 35 -2.628 -5.909 -5.327 1.00 0.00 C ATOM 617 O GLN A 35 -2.735 -7.135 -5.337 1.00 0.00 O ATOM 618 CB GLN A 35 -1.371 -4.818 -7.194 1.00 0.00 C ATOM 619 CG GLN A 35 -1.407 -4.184 -8.575 1.00 0.00 C ATOM 620 CD GLN A 35 -2.393 -4.864 -9.504 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.556 -4.470 -9.591 1.00 0.00 O ATOM 622 NE2 GLN A 35 -1.932 -5.893 -10.206 1.00 0.00 N ATOM 0 H GLN A 35 -2.905 -3.016 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.330 -5.692 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.832 -4.158 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.809 -5.750 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.670 -3.131 -8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.411 -4.225 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.961 -6.186 -10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.549 -6.390 -10.848 1.00 0.00 H new ATOM 631 N MET A 36 -2.396 -5.212 -4.220 1.00 0.00 N ATOM 632 CA MET A 36 -2.252 -5.863 -2.923 1.00 0.00 C ATOM 633 C MET A 36 -3.479 -6.709 -2.600 1.00 0.00 C ATOM 634 O MET A 36 -3.362 -7.888 -2.267 1.00 0.00 O ATOM 635 CB MET A 36 -2.035 -4.820 -1.825 1.00 0.00 C ATOM 636 CG MET A 36 -0.572 -4.479 -1.591 1.00 0.00 C ATOM 637 SD MET A 36 -0.271 -3.805 0.054 1.00 0.00 S ATOM 638 CE MET A 36 -0.858 -5.147 1.084 1.00 0.00 C ATOM 0 H MET A 36 -2.304 -4.197 -4.195 1.00 0.00 H new ATOM 0 HA MET A 36 -1.382 -6.518 -2.969 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.574 -3.910 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.467 -5.189 -0.895 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.033 -5.376 -1.728 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.247 -3.757 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.287 -5.170 2.012 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.914 -4.997 1.311 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.731 -6.093 0.557 1.00 0.00 H new ATOM 648 N ASN A 37 -4.656 -6.100 -2.702 1.00 0.00 N ATOM 649 CA ASN A 37 -5.905 -6.798 -2.420 1.00 0.00 C ATOM 650 C ASN A 37 -6.017 -8.071 -3.253 1.00 0.00 C ATOM 651 O ASN A 37 -6.320 -9.144 -2.731 1.00 0.00 O ATOM 652 CB ASN A 37 -7.099 -5.884 -2.701 1.00 0.00 C ATOM 653 CG ASN A 37 -7.527 -5.098 -1.477 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.807 -5.671 -0.424 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.579 -3.778 -1.610 1.00 0.00 N ATOM 0 H ASN A 37 -4.771 -5.125 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.908 -7.074 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.842 -5.191 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.937 -6.484 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.860 -3.197 -0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.338 -3.345 -2.502 1.00 0.00 H new ATOM 662 N LYS A 38 -5.770 -7.944 -4.553 1.00 0.00 N ATOM 663 CA LYS A 38 -5.841 -9.083 -5.460 1.00 0.00 C ATOM 664 C LYS A 38 -4.996 -10.243 -4.944 1.00 0.00 C ATOM 665 O LYS A 38 -5.387 -11.406 -5.053 1.00 0.00 O ATOM 666 CB LYS A 38 -5.369 -8.678 -6.858 1.00 0.00 C ATOM 667 CG LYS A 38 -6.191 -7.560 -7.477 1.00 0.00 C ATOM 668 CD LYS A 38 -5.513 -6.986 -8.710 1.00 0.00 C ATOM 669 CE LYS A 38 -5.731 -7.871 -9.928 1.00 0.00 C ATOM 670 NZ LYS A 38 -7.171 -7.962 -10.297 1.00 0.00 N ATOM 0 H LYS A 38 -5.519 -7.063 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.880 -9.408 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.327 -8.364 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.406 -9.550 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.177 -7.938 -7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.342 -6.769 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.903 -5.988 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.445 -6.879 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.164 -7.475 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.344 -8.870 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.288 -7.715 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.510 -8.932 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.722 -7.302 -9.712 1.00 0.00 H new ATOM 684 N TYR A 39 -3.837 -9.920 -4.380 1.00 0.00 N ATOM 685 CA TYR A 39 -2.937 -10.936 -3.848 1.00 0.00 C ATOM 686 C TYR A 39 -3.560 -11.641 -2.647 1.00 0.00 C ATOM 687 O TYR A 39 -3.484 -12.864 -2.522 1.00 0.00 O ATOM 688 CB TYR A 39 -1.602 -10.305 -3.447 1.00 0.00 C ATOM 689 CG TYR A 39 -0.562 -11.313 -3.012 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.584 -11.856 -1.733 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.442 -11.723 -3.881 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.365 -12.776 -1.332 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.394 -12.644 -3.489 1.00 0.00 C ATOM 694 CZ TYR A 39 1.351 -13.167 -2.213 1.00 0.00 C ATOM 695 OH TYR A 39 2.298 -14.085 -1.818 1.00 0.00 O ATOM 0 H TYR A 39 -3.499 -8.963 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.762 -11.675 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.212 -9.734 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.773 -9.598 -2.635 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.356 -11.554 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.479 -11.315 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.335 -13.187 -0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.167 -12.953 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 39 2.919 -14.253 -2.557 1.00 0.00 H new ATOM 705 N LEU A 40 -4.178 -10.862 -1.767 1.00 0.00 N ATOM 706 CA LEU A 40 -4.816 -11.410 -0.575 1.00 0.00 C ATOM 707 C LEU A 40 -6.063 -12.207 -0.943 1.00 0.00 C ATOM 708 O LEU A 40 -6.401 -13.191 -0.284 1.00 0.00 O ATOM 709 CB LEU A 40 -5.184 -10.284 0.393 1.00 0.00 C ATOM 710 CG LEU A 40 -4.283 -9.049 0.361 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.504 -8.195 1.600 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.822 -9.458 0.245 1.00 0.00 C ATOM 0 H LEU A 40 -4.251 -9.849 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.108 -12.082 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.206 -9.969 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.179 -10.687 1.406 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.543 -8.455 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.854 -7.321 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.544 -7.873 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.272 -8.779 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.195 -8.567 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.548 -10.074 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.675 -10.027 -0.673 1.00 0.00 H new ATOM 724 N TYR A 41 -6.742 -11.779 -2.001 1.00 0.00 N ATOM 725 CA TYR A 41 -7.952 -12.453 -2.458 1.00 0.00 C ATOM 726 C TYR A 41 -7.608 -13.690 -3.281 1.00 0.00 C ATOM 727 O TYR A 41 -8.488 -14.468 -3.650 1.00 0.00 O ATOM 728 CB TYR A 41 -8.811 -11.497 -3.287 1.00 0.00 C ATOM 729 CG TYR A 41 -10.297 -11.737 -3.141 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.912 -12.812 -3.770 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.085 -10.888 -2.373 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.270 -13.034 -3.639 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.442 -11.104 -2.235 1.00 0.00 C ATOM 734 CZ TYR A 41 -13.030 -12.178 -2.871 1.00 0.00 C ATOM 735 OH TYR A 41 -14.382 -12.396 -2.737 1.00 0.00 O ATOM 0 H TYR A 41 -6.475 -10.968 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.516 -12.768 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.586 -10.472 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.537 -11.594 -4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.319 -13.485 -4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.628 -10.045 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.733 -13.874 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.040 -10.436 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.770 -11.703 -2.162 1.00 0.00 H new ATOM 745 N SER A 42 -6.322 -13.866 -3.565 1.00 0.00 N ATOM 746 CA SER A 42 -5.860 -15.007 -4.347 1.00 0.00 C ATOM 747 C SER A 42 -5.363 -16.125 -3.436 1.00 0.00 C ATOM 748 O SER A 42 -5.503 -17.306 -3.751 1.00 0.00 O ATOM 749 CB SER A 42 -4.745 -14.579 -5.303 1.00 0.00 C ATOM 750 OG SER A 42 -5.275 -14.150 -6.546 1.00 0.00 O ATOM 0 H SER A 42 -5.581 -13.233 -3.265 1.00 0.00 H new ATOM 0 HA SER A 42 -6.702 -15.383 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.166 -13.772 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.060 -15.412 -5.464 1.00 0.00 H new ATOM 0 HG SER A 42 -5.466 -13.190 -6.506 1.00 0.00 H new ATOM 756 N VAL A 43 -4.782 -15.742 -2.304 1.00 0.00 N ATOM 757 CA VAL A 43 -4.264 -16.711 -1.345 1.00 0.00 C ATOM 758 C VAL A 43 -5.383 -17.280 -0.480 1.00 0.00 C ATOM 759 O VAL A 43 -6.198 -16.538 0.069 1.00 0.00 O ATOM 760 CB VAL A 43 -3.195 -16.081 -0.432 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.744 -14.839 0.255 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.706 -17.094 0.592 1.00 0.00 C ATOM 0 H VAL A 43 -4.658 -14.768 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.810 -17.516 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.347 -15.782 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.975 -14.408 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.041 -14.108 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.610 -15.110 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.951 -16.632 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.544 -17.426 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.272 -17.951 0.077 1.00 0.00 H new ATOM 772 N LYS A 44 -5.418 -18.603 -0.363 1.00 0.00 N ATOM 773 CA LYS A 44 -6.436 -19.275 0.436 1.00 0.00 C ATOM 774 C LYS A 44 -6.089 -19.217 1.920 1.00 0.00 C ATOM 775 O LYS A 44 -6.965 -19.035 2.766 1.00 0.00 O ATOM 776 CB LYS A 44 -6.582 -20.732 -0.007 1.00 0.00 C ATOM 777 CG LYS A 44 -7.508 -20.916 -1.197 1.00 0.00 C ATOM 778 CD LYS A 44 -8.062 -22.330 -1.260 1.00 0.00 C ATOM 779 CE LYS A 44 -8.535 -22.681 -2.662 1.00 0.00 C ATOM 780 NZ LYS A 44 -9.630 -23.691 -2.641 1.00 0.00 N ATOM 0 H LYS A 44 -4.752 -19.232 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.383 -18.758 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.598 -21.127 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.957 -21.321 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.331 -20.204 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.967 -20.695 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.294 -23.037 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.891 -22.429 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.883 -21.779 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.697 -23.066 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.925 -23.904 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.291 -24.561 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.440 -23.314 -2.109 1.00 0.00 H new ATOM 794 N ASP A 45 -4.806 -19.370 2.229 1.00 0.00 N ATOM 795 CA ASP A 45 -4.343 -19.332 3.612 1.00 0.00 C ATOM 796 C ASP A 45 -4.802 -18.052 4.304 1.00 0.00 C ATOM 797 O ASP A 45 -4.136 -17.019 4.230 1.00 0.00 O ATOM 798 CB ASP A 45 -2.818 -19.435 3.664 1.00 0.00 C ATOM 799 CG ASP A 45 -2.291 -20.628 2.891 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.821 -21.742 3.087 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.350 -20.449 2.090 1.00 0.00 O ATOM 0 H ASP A 45 -4.068 -19.521 1.541 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.776 -20.183 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.381 -18.522 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.497 -19.509 4.703 1.00 0.00 H new ATOM 806 N THR A 46 -5.947 -18.127 4.976 1.00 0.00 N ATOM 807 CA THR A 46 -6.497 -16.976 5.679 1.00 0.00 C ATOM 808 C THR A 46 -5.430 -16.284 6.521 1.00 0.00 C ATOM 809 O THR A 46 -5.385 -15.056 6.597 1.00 0.00 O ATOM 810 CB THR A 46 -7.670 -17.382 6.591 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.218 -18.303 7.590 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.791 -18.015 5.781 1.00 0.00 C ATOM 0 H THR A 46 -6.511 -18.974 5.048 1.00 0.00 H new ATOM 0 HA THR A 46 -6.860 -16.285 4.918 1.00 0.00 H new ATOM 0 HB THR A 46 -8.054 -16.483 7.073 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.969 -18.555 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.608 -18.294 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.153 -17.301 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.416 -18.904 5.274 1.00 0.00 H new ATOM 820 N HIS A 47 -4.572 -17.080 7.151 1.00 0.00 N ATOM 821 CA HIS A 47 -3.504 -16.543 7.987 1.00 0.00 C ATOM 822 C HIS A 47 -2.497 -15.763 7.146 1.00 0.00 C ATOM 823 O HIS A 47 -1.864 -14.824 7.630 1.00 0.00 O ATOM 824 CB HIS A 47 -2.796 -17.673 8.734 1.00 0.00 C ATOM 825 CG HIS A 47 -1.486 -17.265 9.336 1.00 0.00 C ATOM 826 ND1 HIS A 47 -1.374 -16.281 10.296 1.00 0.00 N ATOM 827 CD2 HIS A 47 -0.230 -17.714 9.111 1.00 0.00 C ATOM 828 CE1 HIS A 47 -0.104 -16.142 10.634 1.00 0.00 C ATOM 829 NE2 HIS A 47 0.611 -17.000 9.929 1.00 0.00 N ATOM 0 H HIS A 47 -4.595 -18.098 7.099 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.950 -15.862 8.712 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.451 -18.041 9.524 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.628 -18.502 8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.058 -18.490 8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.283 -15.445 11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 47 1.623 -17.114 9.983 1.00 0.00 H new ATOM 838 N LEU A 48 -2.353 -16.159 5.887 1.00 0.00 N ATOM 839 CA LEU A 48 -1.422 -15.498 4.978 1.00 0.00 C ATOM 840 C LEU A 48 -1.940 -14.122 4.575 1.00 0.00 C ATOM 841 O LEU A 48 -1.236 -13.120 4.704 1.00 0.00 O ATOM 842 CB LEU A 48 -1.197 -16.357 3.733 1.00 0.00 C ATOM 843 CG LEU A 48 -0.221 -15.795 2.698 1.00 0.00 C ATOM 844 CD1 LEU A 48 -0.931 -14.824 1.767 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.953 -15.116 3.386 1.00 0.00 C ATOM 0 H LEU A 48 -2.869 -16.935 5.471 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.473 -15.370 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.835 -17.335 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.159 -16.516 3.247 1.00 0.00 H new ATOM 0 HG LEU A 48 0.163 -16.623 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.221 -14.434 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.738 -15.342 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.344 -13.999 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.637 -14.722 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.587 -14.299 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.477 -15.840 4.010 1.00 0.00 H new ATOM 857 N ARG A 49 -3.176 -14.080 4.087 1.00 0.00 N ATOM 858 CA ARG A 49 -3.789 -12.826 3.665 1.00 0.00 C ATOM 859 C ARG A 49 -4.077 -11.931 4.867 1.00 0.00 C ATOM 860 O ARG A 49 -4.075 -10.705 4.753 1.00 0.00 O ATOM 861 CB ARG A 49 -5.084 -13.100 2.897 1.00 0.00 C ATOM 862 CG ARG A 49 -5.929 -14.208 3.504 1.00 0.00 C ATOM 863 CD ARG A 49 -7.361 -14.159 2.994 1.00 0.00 C ATOM 864 NE ARG A 49 -8.312 -14.651 3.987 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.572 -14.963 3.706 1.00 0.00 C ATOM 866 NH1 ARG A 49 -10.030 -14.835 2.468 1.00 0.00 N ATOM 867 NH2 ARG A 49 -10.377 -15.405 4.663 1.00 0.00 N ATOM 0 H ARG A 49 -3.772 -14.900 3.974 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.088 -12.310 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.674 -12.184 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.838 -13.364 1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.489 -15.176 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.925 -14.117 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.615 -13.134 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.443 -14.756 2.086 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.991 -14.761 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.414 -14.496 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.998 -15.075 2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.029 -15.506 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.344 -15.644 4.446 1.00 0.00 H new ATOM 881 N GLN A 50 -4.325 -12.552 6.015 1.00 0.00 N ATOM 882 CA GLN A 50 -4.616 -11.811 7.237 1.00 0.00 C ATOM 883 C GLN A 50 -3.432 -10.937 7.638 1.00 0.00 C ATOM 884 O GLN A 50 -3.606 -9.873 8.234 1.00 0.00 O ATOM 885 CB GLN A 50 -4.963 -12.774 8.373 1.00 0.00 C ATOM 886 CG GLN A 50 -4.721 -12.195 9.757 1.00 0.00 C ATOM 887 CD GLN A 50 -5.599 -12.831 10.817 1.00 0.00 C ATOM 888 OE1 GLN A 50 -5.110 -13.288 11.851 1.00 0.00 O ATOM 889 NE2 GLN A 50 -6.902 -12.862 10.566 1.00 0.00 N ATOM 0 H GLN A 50 -4.330 -13.566 6.125 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.473 -11.165 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.011 -13.062 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.373 -13.683 8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.674 -12.334 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.905 -11.121 9.735 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.263 -12.471 9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.542 -13.276 11.243 1.00 0.00 H new ATOM 898 N LYS A 51 -2.229 -11.393 7.310 1.00 0.00 N ATOM 899 CA LYS A 51 -1.015 -10.653 7.635 1.00 0.00 C ATOM 900 C LYS A 51 -0.853 -9.444 6.719 1.00 0.00 C ATOM 901 O LYS A 51 -0.466 -8.363 7.165 1.00 0.00 O ATOM 902 CB LYS A 51 0.209 -11.563 7.515 1.00 0.00 C ATOM 903 CG LYS A 51 1.485 -10.942 8.058 1.00 0.00 C ATOM 904 CD LYS A 51 1.654 -11.222 9.542 1.00 0.00 C ATOM 905 CE LYS A 51 0.918 -10.196 10.390 1.00 0.00 C ATOM 906 NZ LYS A 51 1.529 -10.050 11.740 1.00 0.00 N ATOM 0 H LYS A 51 -2.068 -12.272 6.819 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.099 -10.300 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.013 -12.494 8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.358 -11.821 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.343 -11.335 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.467 -9.865 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.280 -12.220 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.714 -11.213 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.926 -9.232 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.126 -10.493 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.998 -9.342 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.498 -10.964 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.518 -9.742 11.642 1.00 0.00 H new ATOM 920 N TRP A 52 -1.152 -9.632 5.439 1.00 0.00 N ATOM 921 CA TRP A 52 -1.041 -8.555 4.462 1.00 0.00 C ATOM 922 C TRP A 52 -2.171 -7.546 4.633 1.00 0.00 C ATOM 923 O TRP A 52 -1.949 -6.337 4.571 1.00 0.00 O ATOM 924 CB TRP A 52 -1.059 -9.124 3.042 1.00 0.00 C ATOM 925 CG TRP A 52 0.139 -9.967 2.724 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.137 -11.250 2.258 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.513 -9.586 2.853 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.428 -11.690 2.088 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.290 -10.688 2.445 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.162 -8.421 3.270 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.682 -10.657 2.445 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.544 -8.392 3.269 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.292 -9.504 2.858 1.00 0.00 C ATOM 0 H TRP A 52 -1.473 -10.520 5.053 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.094 -8.042 4.629 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.961 -9.722 2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.115 -8.301 2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.748 -11.833 2.053 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.700 -12.613 1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.594 -7.559 3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.260 -11.513 2.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.056 -7.497 3.590 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.371 -9.450 2.868 1.00 0.00 H new ATOM 944 N GLN A 53 -3.382 -8.050 4.848 1.00 0.00 N ATOM 945 CA GLN A 53 -4.546 -7.191 5.027 1.00 0.00 C ATOM 946 C GLN A 53 -4.317 -6.193 6.157 1.00 0.00 C ATOM 947 O GLN A 53 -4.862 -5.090 6.143 1.00 0.00 O ATOM 948 CB GLN A 53 -5.788 -8.034 5.320 1.00 0.00 C ATOM 949 CG GLN A 53 -6.040 -8.252 6.803 1.00 0.00 C ATOM 950 CD GLN A 53 -7.361 -8.945 7.075 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.038 -9.400 6.153 1.00 0.00 O ATOM 952 NE2 GLN A 53 -7.734 -9.030 8.347 1.00 0.00 N ATOM 0 H GLN A 53 -3.582 -9.049 4.902 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.702 -6.636 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.659 -7.548 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.683 -9.003 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.229 -8.847 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.027 -7.290 7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.142 -8.639 9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.613 -9.487 8.591 1.00 0.00 H new ATOM 961 N GLN A 54 -3.507 -6.588 7.135 1.00 0.00 N ATOM 962 CA GLN A 54 -3.207 -5.728 8.273 1.00 0.00 C ATOM 963 C GLN A 54 -2.315 -4.564 7.855 1.00 0.00 C ATOM 964 O GLN A 54 -2.481 -3.440 8.328 1.00 0.00 O ATOM 965 CB GLN A 54 -2.530 -6.533 9.383 1.00 0.00 C ATOM 966 CG GLN A 54 -2.117 -5.691 10.580 1.00 0.00 C ATOM 967 CD GLN A 54 -1.503 -6.518 11.692 1.00 0.00 C ATOM 968 OE1 GLN A 54 -1.875 -7.674 11.899 1.00 0.00 O ATOM 969 NE2 GLN A 54 -0.556 -5.931 12.414 1.00 0.00 N ATOM 0 H GLN A 54 -3.047 -7.498 7.161 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.147 -5.324 8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.209 -7.317 9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.648 -7.028 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.401 -4.935 10.258 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.989 -5.162 10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.279 -4.971 12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.106 -6.440 13.175 1.00 0.00 H new ATOM 978 N VAL A 55 -1.366 -4.841 6.966 1.00 0.00 N ATOM 979 CA VAL A 55 -0.447 -3.818 6.484 1.00 0.00 C ATOM 980 C VAL A 55 -1.142 -2.867 5.515 1.00 0.00 C ATOM 981 O VAL A 55 -0.837 -1.675 5.473 1.00 0.00 O ATOM 982 CB VAL A 55 0.774 -4.444 5.784 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.669 -3.361 5.201 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.549 -5.324 6.753 1.00 0.00 C ATOM 0 H VAL A 55 -1.214 -5.767 6.565 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.109 -3.260 7.357 1.00 0.00 H new ATOM 0 HB VAL A 55 0.421 -5.069 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.526 -3.822 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.106 -2.776 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.017 -2.707 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.408 -5.758 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.893 -4.723 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.902 -6.122 7.117 1.00 0.00 H new ATOM 994 N TRP A 56 -2.078 -3.402 4.740 1.00 0.00 N ATOM 995 CA TRP A 56 -2.817 -2.601 3.771 1.00 0.00 C ATOM 996 C TRP A 56 -3.422 -1.368 4.433 1.00 0.00 C ATOM 997 O TRP A 56 -3.555 -0.318 3.804 1.00 0.00 O ATOM 998 CB TRP A 56 -3.920 -3.439 3.122 1.00 0.00 C ATOM 999 CG TRP A 56 -4.480 -2.821 1.876 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.114 -3.096 0.589 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.504 -1.823 1.799 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -4.849 -2.329 -0.283 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.709 -1.541 0.435 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.269 -1.143 2.750 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -6.646 -0.607 0.001 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.198 -0.216 2.318 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.381 0.045 0.954 1.00 0.00 C ATOM 0 H TRP A 56 -2.343 -4.387 4.763 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.119 -2.272 3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.524 -4.426 2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.726 -3.585 3.841 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.358 -3.811 0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.767 -2.344 -1.300 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.137 -1.338 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.788 -0.404 -1.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.793 0.317 3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.116 0.775 0.648 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.785 -1.502 5.704 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.376 -0.397 6.450 1.00 0.00 C ATOM 1020 C GLN A 57 -3.407 0.777 6.542 1.00 0.00 C ATOM 1021 O GLN A 57 -3.782 1.924 6.301 1.00 0.00 O ATOM 1022 CB GLN A 57 -4.774 -0.856 7.853 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.164 -1.468 7.922 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.743 -1.448 9.323 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.128 -0.395 9.833 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -6.808 -2.615 9.954 1.00 0.00 N ATOM 0 H GLN A 57 -3.680 -2.364 6.239 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.268 -0.068 5.917 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.047 -1.586 8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.727 -0.004 8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.829 -0.925 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.122 -2.497 7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.477 -3.463 9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.188 -2.663 10.899 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.159 0.482 6.893 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.137 1.514 7.018 1.00 0.00 C ATOM 1037 C GLU A 58 -0.818 2.132 5.660 1.00 0.00 C ATOM 1038 O GLU A 58 -0.749 3.354 5.523 1.00 0.00 O ATOM 1039 CB GLU A 58 0.136 0.931 7.636 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.079 0.324 9.013 1.00 0.00 C ATOM 1041 CD GLU A 58 -0.826 1.253 9.950 1.00 0.00 C ATOM 1042 OE1 GLU A 58 -0.329 2.372 10.195 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -1.906 0.861 10.439 1.00 0.00 O ATOM 0 H GLU A 58 -1.832 -0.463 7.096 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.525 2.295 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.536 0.167 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.888 1.717 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.635 -0.608 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.887 0.073 9.450 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.626 1.280 4.659 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.316 1.742 3.312 1.00 0.00 C ATOM 1052 C ILE A 59 -1.441 2.608 2.755 1.00 0.00 C ATOM 1053 O ILE A 59 -1.193 3.614 2.093 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.070 0.561 2.355 1.00 0.00 C ATOM 1055 CG1 ILE A 59 1.093 -0.297 2.856 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.207 1.068 0.947 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.314 -1.552 2.040 1.00 0.00 C ATOM 0 H ILE A 59 -0.680 0.266 4.755 1.00 0.00 H new ATOM 0 HA ILE A 59 0.595 2.337 3.384 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.967 -0.057 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.005 0.299 2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.908 -0.576 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.379 0.221 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.650 1.640 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.091 1.706 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.154 -2.111 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.416 -2.170 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.531 -1.281 1.007 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.678 2.209 3.030 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.842 2.950 2.558 1.00 0.00 C ATOM 1071 C ASN A 60 -3.907 4.331 3.203 1.00 0.00 C ATOM 1072 O ASN A 60 -4.009 5.346 2.514 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.125 2.173 2.861 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.326 3.083 3.029 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.914 3.542 2.050 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.697 3.348 4.277 1.00 0.00 N ATOM 0 H ASN A 60 -2.900 1.377 3.577 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.747 3.076 1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.318 1.467 2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.986 1.588 3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.499 3.954 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.180 2.946 5.059 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.847 4.361 4.531 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.897 5.617 5.270 1.00 0.00 C ATOM 1085 C VAL A 61 -2.811 6.577 4.797 1.00 0.00 C ATOM 1086 O VAL A 61 -3.027 7.786 4.725 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.736 5.384 6.784 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.770 6.707 7.535 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.818 4.444 7.296 1.00 0.00 C ATOM 0 H VAL A 61 -3.764 3.530 5.117 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.876 6.057 5.079 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.767 4.918 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.655 6.522 8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.957 7.344 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.723 7.204 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.689 4.290 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.799 4.881 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.742 3.487 6.780 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.644 6.029 4.475 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.524 6.838 4.008 1.00 0.00 C ATOM 1101 C GLU A 62 -0.905 7.626 2.758 1.00 0.00 C ATOM 1102 O GLU A 62 -0.695 8.836 2.687 1.00 0.00 O ATOM 1103 CB GLU A 62 0.688 5.950 3.715 1.00 0.00 C ATOM 1104 CG GLU A 62 1.843 6.693 3.064 1.00 0.00 C ATOM 1105 CD GLU A 62 2.550 7.629 4.025 1.00 0.00 C ATOM 1106 OE1 GLU A 62 1.855 8.405 4.714 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.796 7.587 4.087 1.00 0.00 O ATOM 0 H GLU A 62 -1.449 5.029 4.529 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.266 7.545 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.034 5.503 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.380 5.132 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.560 5.971 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.470 7.265 2.214 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.466 6.929 1.775 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.878 7.563 0.529 1.00 0.00 C ATOM 1116 C ALA A 63 -2.787 8.758 0.795 1.00 0.00 C ATOM 1117 O ALA A 63 -2.750 9.753 0.070 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.578 6.554 -0.370 1.00 0.00 C ATOM 0 H ALA A 63 -1.645 5.926 1.818 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.984 7.926 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.880 7.041 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.896 5.734 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.459 6.163 0.139 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.603 8.653 1.838 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.523 9.725 2.200 1.00 0.00 C ATOM 1126 C LYS A 64 -3.770 10.905 2.808 1.00 0.00 C ATOM 1127 O LYS A 64 -4.199 12.052 2.690 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.572 9.212 3.189 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.859 10.020 3.184 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.771 9.607 2.041 1.00 0.00 C ATOM 1131 CE LYS A 64 -8.656 8.433 2.430 1.00 0.00 C ATOM 1132 NZ LYS A 64 -9.653 8.810 3.470 1.00 0.00 N ATOM 0 H LYS A 64 -3.646 7.836 2.448 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.023 10.064 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.804 8.173 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.149 9.224 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.379 9.885 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.624 11.081 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.394 10.452 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.169 9.338 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.176 8.062 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.035 7.618 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.450 8.142 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.205 8.779 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.002 9.772 3.284 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.647 10.614 3.457 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.836 11.651 4.082 1.00 0.00 C ATOM 1148 C GLN A 65 -1.054 12.436 3.034 1.00 0.00 C ATOM 1149 O GLN A 65 -0.902 13.653 3.140 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.873 11.033 5.097 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.550 10.578 6.380 1.00 0.00 C ATOM 1152 CD GLN A 65 -0.557 10.218 7.468 1.00 0.00 C ATOM 1153 OE1 GLN A 65 0.638 10.485 7.346 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -1.049 9.609 8.540 1.00 0.00 N ATOM 0 H GLN A 65 -2.279 9.669 3.563 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.506 12.338 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.373 10.180 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.100 11.762 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.207 11.370 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.179 9.714 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.047 9.407 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.429 9.343 9.305 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.559 11.732 2.022 1.00 0.00 N ATOM 1164 CA VAL A 66 0.207 12.362 0.953 1.00 0.00 C ATOM 1165 C VAL A 66 -0.670 13.294 0.125 1.00 0.00 C ATOM 1166 O VAL A 66 -0.219 14.343 -0.336 1.00 0.00 O ATOM 1167 CB VAL A 66 0.843 11.312 0.023 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.411 11.976 -1.222 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.921 10.532 0.760 1.00 0.00 C ATOM 0 H VAL A 66 -0.675 10.724 1.919 1.00 0.00 H new ATOM 0 HA VAL A 66 0.999 12.940 1.430 1.00 0.00 H new ATOM 0 HB VAL A 66 0.069 10.611 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.856 11.219 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.611 12.486 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.173 12.700 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.360 9.794 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.696 11.217 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.480 10.024 1.618 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.927 12.905 -0.062 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.870 13.705 -0.833 1.00 0.00 C ATOM 1181 C LYS A 67 -3.248 14.977 -0.080 1.00 0.00 C ATOM 1182 O LYS A 67 -3.524 16.011 -0.689 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.128 12.891 -1.143 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.085 12.779 0.031 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.525 12.645 -0.435 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.501 12.804 0.721 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.422 14.159 1.332 1.00 0.00 N ATOM 0 H LYS A 67 -2.316 12.039 0.311 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.387 13.987 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.649 13.350 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.834 11.890 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.817 11.915 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.988 13.659 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.734 13.397 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.668 11.671 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.516 12.624 0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.290 12.051 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.302 14.358 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.617 14.197 1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.292 14.870 0.584 1.00 0.00 H new ATOM 1201 N ASP A 68 -3.256 14.894 1.245 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.597 16.039 2.081 1.00 0.00 C ATOM 1203 C ASP A 68 -2.437 17.027 2.149 1.00 0.00 C ATOM 1204 O ASP A 68 -2.616 18.226 1.932 1.00 0.00 O ATOM 1205 CB ASP A 68 -3.971 15.576 3.490 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.759 16.657 4.531 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -4.273 17.778 4.334 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.078 16.383 5.541 1.00 0.00 O ATOM 0 H ASP A 68 -3.030 14.045 1.764 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.454 16.542 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.016 15.265 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.375 14.702 3.752 1.00 0.00 H new ATOM 1213 N ILE A 69 -1.248 16.516 2.452 1.00 0.00 N ATOM 1214 CA ILE A 69 -0.059 17.354 2.548 1.00 0.00 C ATOM 1215 C ILE A 69 0.197 18.097 1.241 1.00 0.00 C ATOM 1216 O ILE A 69 0.604 19.259 1.246 1.00 0.00 O ATOM 1217 CB ILE A 69 1.187 16.523 2.906 1.00 0.00 C ATOM 1218 CG1 ILE A 69 1.685 15.756 1.679 1.00 0.00 C ATOM 1219 CG2 ILE A 69 0.876 15.565 4.046 1.00 0.00 C ATOM 1220 CD1 ILE A 69 2.986 15.020 1.913 1.00 0.00 C ATOM 0 H ILE A 69 -1.083 15.526 2.635 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.245 18.076 3.343 1.00 0.00 H new ATOM 0 HB ILE A 69 1.976 17.201 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.922 15.040 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.816 16.454 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.767 14.985 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.564 16.132 4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.074 14.890 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.278 14.499 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.763 15.733 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.855 14.297 2.718 1.00 0.00 H new ATOM 1232 N MET A 70 -0.046 17.420 0.124 1.00 0.00 N ATOM 1233 CA MET A 70 0.156 18.017 -1.191 1.00 0.00 C ATOM 1234 C MET A 70 -0.879 19.106 -1.458 1.00 0.00 C ATOM 1235 O MET A 70 -1.910 19.174 -0.788 1.00 0.00 O ATOM 1236 CB MET A 70 0.078 16.945 -2.279 1.00 0.00 C ATOM 1237 CG MET A 70 -1.344 16.537 -2.629 1.00 0.00 C ATOM 1238 SD MET A 70 -1.465 15.765 -4.254 1.00 0.00 S ATOM 1239 CE MET A 70 -3.243 15.653 -4.444 1.00 0.00 C ATOM 0 H MET A 70 -0.383 16.458 0.103 1.00 0.00 H new ATOM 0 HA MET A 70 1.147 18.470 -1.209 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.573 17.314 -3.177 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.630 16.064 -1.950 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.716 15.845 -1.874 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.988 17.416 -2.600 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.478 15.195 -5.405 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.657 15.044 -3.640 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.677 16.652 -4.403 1.00 0.00 H new ATOM 1249 N LYS A 71 -0.598 19.955 -2.439 1.00 0.00 N ATOM 1250 CA LYS A 71 -1.504 21.041 -2.796 1.00 0.00 C ATOM 1251 C LYS A 71 -1.504 21.276 -4.303 1.00 0.00 C ATOM 1252 O LYS A 71 -0.447 21.372 -4.927 1.00 0.00 O ATOM 1253 CB LYS A 71 -1.105 22.326 -2.068 1.00 0.00 C ATOM 1254 CG LYS A 71 -2.260 23.289 -1.857 1.00 0.00 C ATOM 1255 CD LYS A 71 -2.434 24.220 -3.045 1.00 0.00 C ATOM 1256 CE LYS A 71 -3.481 25.289 -2.768 1.00 0.00 C ATOM 1257 NZ LYS A 71 -4.863 24.785 -3.000 1.00 0.00 N ATOM 0 H LYS A 71 0.251 19.913 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.511 20.756 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.677 22.067 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.323 22.829 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.180 22.726 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.085 23.877 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.481 24.695 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.726 23.642 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.387 25.631 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.297 26.152 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.547 25.543 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.961 24.482 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.048 23.977 -2.371 1.00 0.00 H new ATOM 1271 N THR A 72 -2.697 21.371 -4.883 1.00 0.00 N ATOM 1272 CA THR A 72 -2.834 21.596 -6.316 1.00 0.00 C ATOM 1273 C THR A 72 -2.995 23.079 -6.627 1.00 0.00 C ATOM 1274 O THR A 72 -2.825 23.507 -7.769 1.00 0.00 O ATOM 1275 CB THR A 72 -4.040 20.829 -6.892 1.00 0.00 C ATOM 1276 OG1 THR A 72 -4.101 21.006 -8.312 1.00 0.00 O ATOM 1277 CG2 THR A 72 -5.338 21.308 -6.260 1.00 0.00 C ATOM 0 H THR A 72 -3.582 21.295 -4.381 1.00 0.00 H new ATOM 0 HA THR A 72 -1.921 21.227 -6.782 1.00 0.00 H new ATOM 0 HB THR A 72 -3.912 19.771 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.608 21.815 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.175 20.752 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.300 21.145 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.470 22.371 -6.461 1.00 0.00 H new TER 1285 THR A 72