USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 812 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 49 TYR OH : rot -105:sc= 1.08 USER MOD Set 1.2: A 106 HIS : no HE2:sc= 0.238 K(o=1.3,f=-2.8!) USER MOD Set 2.1: A 58 SER OG : rot 158:sc= 0.764 USER MOD Set 2.2: A 61 GLN : amide:sc= 0 X(o=0.76,f=0.63) USER MOD Set 3.1: A 54 ASN : amide:sc= -0.361 K(o=-0.45,f=-7.9!) USER MOD Set 3.2: A 56 THR OG1 : rot 170:sc= -0.0927 USER MOD Set 4.1: A 39 THR OG1 : rot 68:sc= 1.23 USER MOD Set 4.2: A 83 HIS : no HE2:sc= 1.13 K(o=2.4,f=-8.4!) USER MOD Set 5.1: A 22 GLN : amide:sc= -0.0597 K(o=-0.065,f=-6.8!) USER MOD Set 5.2: A 88 CYS SG : rot 170:sc=-0.00577 USER MOD Set 6.1: A 11 GLN : amide:sc= 0.543 K(o=1.5,f=-0.36) USER MOD Set 6.2: A 19 TYR OH : rot 84:sc= 0.946 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0129 (180deg=-0.219) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0427 (180deg=-0.184) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 130:sc= -0.0199 (180deg=-0.29) USER MOD Single : A 5 GLN : amide:sc= 0.0681 X(o=0.068,f=-0.43) USER MOD Single : A 6 ASN : amide:sc= -0.0315 K(o=-0.031,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 1.98 (180deg=1.75) USER MOD Single : A 9 ASN : amide:sc= -0.916 K(o=-0.92,f=-3.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : A 17 SER OG : rot 77:sc= 0.691 USER MOD Single : A 20 MET CE :methyl 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 21 SER OG : rot -82:sc= 0.329 USER MOD Single : A 24 TYR OH : rot -9:sc= 1.36 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.453 K(o=0.45,f=-0.82) USER MOD Single : A 34 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 35 THR OG1 : rot -77:sc= 0.0373 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 158:sc= 0.806 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -53:sc= 0.708 USER MOD Single : A 62 CYS SG : rot -81:sc= -1.46 USER MOD Single : A 66 THR OG1 : rot -106:sc= 0.627 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.116 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 2.02 (180deg=1.81) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 98 MET CE :methyl -179:sc= -0.0829 (180deg=-0.0831) USER MOD Single : A 107 HIS : no HD1:sc= 0.431 K(o=0.43,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.525 -1.187 -0.679 1.00 0.00 N ATOM 2 CA MET A 1 -0.791 -2.487 -0.635 1.00 0.00 C ATOM 3 C MET A 1 -1.709 -3.669 -1.001 1.00 0.00 C ATOM 4 O MET A 1 -1.242 -4.703 -1.480 1.00 0.00 O ATOM 5 CB MET A 1 -0.187 -2.709 0.750 1.00 0.00 C ATOM 6 CG MET A 1 0.883 -1.699 1.140 1.00 0.00 C ATOM 7 SD MET A 1 2.259 -1.659 -0.026 1.00 0.00 S ATOM 8 CE MET A 1 2.999 -3.263 0.271 1.00 0.00 C ATOM 0 H1 MET A 1 -0.847 -0.403 -0.595 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.037 -1.108 -1.581 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.203 -1.144 0.109 1.00 0.00 H new ATOM 0 HA MET A 1 0.008 -2.438 -1.374 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.986 -2.677 1.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.244 -3.709 0.789 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.435 -0.707 1.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.261 -1.941 2.133 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.975 -3.308 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.117 -3.416 1.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.356 -4.042 -0.138 1.00 0.00 H new ATOM 20 N SER A 2 -3.013 -3.503 -0.784 1.00 0.00 N ATOM 21 CA SER A 2 -4.007 -4.562 -1.050 1.00 0.00 C ATOM 22 C SER A 2 -4.116 -4.922 -2.543 1.00 0.00 C ATOM 23 O SER A 2 -4.613 -5.996 -2.893 1.00 0.00 O ATOM 24 CB SER A 2 -5.362 -4.134 -0.522 1.00 0.00 C ATOM 25 OG SER A 2 -5.877 -3.035 -1.221 1.00 0.00 O ATOM 0 H SER A 2 -3.416 -2.639 -0.421 1.00 0.00 H new ATOM 0 HA SER A 2 -3.666 -5.459 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.059 -4.969 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.276 -3.883 0.535 1.00 0.00 H new ATOM 0 HG SER A 2 -6.751 -2.792 -0.851 1.00 0.00 H new ATOM 31 N TRP A 3 -3.670 -4.023 -3.420 1.00 0.00 N ATOM 32 CA TRP A 3 -3.572 -4.332 -4.854 1.00 0.00 C ATOM 33 C TRP A 3 -2.724 -5.587 -5.129 1.00 0.00 C ATOM 34 O TRP A 3 -2.969 -6.303 -6.104 1.00 0.00 O ATOM 35 CB TRP A 3 -2.987 -3.136 -5.608 1.00 0.00 C ATOM 36 CG TRP A 3 -1.563 -2.839 -5.247 1.00 0.00 C ATOM 37 CD1 TRP A 3 -1.130 -2.011 -4.255 1.00 0.00 C ATOM 38 CD2 TRP A 3 -0.387 -3.368 -5.871 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.242 -1.988 -4.223 1.00 0.00 N ATOM 40 CE2 TRP A 3 0.722 -2.816 -5.206 1.00 0.00 C ATOM 41 CE3 TRP A 3 -0.166 -4.257 -6.931 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.027 -3.119 -5.561 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.143 -4.561 -7.286 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.208 -4.008 -6.621 1.00 0.00 C ATOM 0 H TRP A 3 -3.372 -3.080 -3.169 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.582 -4.538 -5.208 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.050 -3.326 -6.679 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.596 -2.255 -5.405 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.773 -1.454 -3.590 1.00 0.00 H new ATOM 0 HE1 TRP A 3 0.811 -1.444 -3.575 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.997 -4.698 -7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.868 -2.686 -5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.325 -5.246 -8.101 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.211 -4.267 -6.926 1.00 0.00 H new ATOM 55 N MET A 4 -1.745 -5.863 -4.269 1.00 0.00 N ATOM 56 CA MET A 4 -0.912 -7.062 -4.429 1.00 0.00 C ATOM 57 C MET A 4 -1.783 -8.325 -4.309 1.00 0.00 C ATOM 58 O MET A 4 -1.725 -9.225 -5.156 1.00 0.00 O ATOM 59 CB MET A 4 0.207 -7.079 -3.391 1.00 0.00 C ATOM 60 CG MET A 4 1.272 -6.011 -3.595 1.00 0.00 C ATOM 61 SD MET A 4 2.536 -6.033 -2.308 1.00 0.00 S ATOM 62 CE MET A 4 3.370 -7.573 -2.678 1.00 0.00 C ATOM 0 H MET A 4 -1.508 -5.284 -3.463 1.00 0.00 H new ATOM 0 HA MET A 4 -0.455 -7.044 -5.419 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.231 -6.953 -2.401 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.685 -8.059 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.745 -6.157 -4.566 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.798 -5.030 -3.616 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.445 -7.402 -2.726 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.153 -8.301 -1.897 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.020 -7.955 -3.637 1.00 0.00 H new ATOM 72 N GLN A 5 -2.578 -8.389 -3.237 1.00 0.00 N ATOM 73 CA GLN A 5 -3.600 -9.433 -3.081 1.00 0.00 C ATOM 74 C GLN A 5 -4.485 -9.534 -4.331 1.00 0.00 C ATOM 75 O GLN A 5 -4.599 -10.598 -4.931 1.00 0.00 O ATOM 76 CB GLN A 5 -4.470 -9.153 -1.853 1.00 0.00 C ATOM 77 CG GLN A 5 -3.748 -9.322 -0.527 1.00 0.00 C ATOM 78 CD GLN A 5 -4.694 -9.263 0.657 1.00 0.00 C ATOM 79 OE1 GLN A 5 -5.207 -8.197 1.008 1.00 0.00 O ATOM 80 NE2 GLN A 5 -4.925 -10.410 1.286 1.00 0.00 N ATOM 0 H GLN A 5 -2.535 -7.729 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.084 -10.383 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.854 -8.135 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.332 -9.820 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.222 -10.277 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.993 -8.542 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.479 -11.268 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.548 -10.432 2.093 1.00 0.00 H new ATOM 89 N ASN A 6 -5.089 -8.406 -4.716 1.00 0.00 N ATOM 90 CA ASN A 6 -6.089 -8.361 -5.797 1.00 0.00 C ATOM 91 C ASN A 6 -5.582 -9.016 -7.093 1.00 0.00 C ATOM 92 O ASN A 6 -6.353 -9.624 -7.834 1.00 0.00 O ATOM 93 CB ASN A 6 -6.528 -6.936 -6.077 1.00 0.00 C ATOM 94 CG ASN A 6 -7.431 -6.362 -5.020 1.00 0.00 C ATOM 95 OD1 ASN A 6 -8.012 -7.091 -4.209 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.615 -5.067 -5.077 1.00 0.00 N ATOM 0 H ASN A 6 -4.902 -7.498 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.946 -8.937 -5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.644 -6.305 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.043 -6.906 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.263 -4.615 -4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.110 -4.510 -5.766 1.00 0.00 H new ATOM 103 N LEU A 7 -4.287 -8.886 -7.364 1.00 0.00 N ATOM 104 CA LEU A 7 -3.681 -9.513 -8.543 1.00 0.00 C ATOM 105 C LEU A 7 -3.512 -11.029 -8.341 1.00 0.00 C ATOM 106 O LEU A 7 -4.108 -11.835 -9.053 1.00 0.00 O ATOM 107 CB LEU A 7 -2.329 -8.859 -8.855 1.00 0.00 C ATOM 108 CG LEU A 7 -2.401 -7.396 -9.311 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.998 -6.817 -9.431 1.00 0.00 C ATOM 110 CD2 LEU A 7 -3.134 -7.315 -10.642 1.00 0.00 C ATOM 0 H LEU A 7 -3.635 -8.354 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.350 -9.361 -9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.702 -8.915 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.833 -9.441 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.949 -6.811 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.060 -5.778 -9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.500 -6.866 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.428 -7.392 -10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.185 -6.276 -10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.599 -7.902 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.144 -7.709 -10.526 1.00 0.00 H new ATOM 122 N LYS A 8 -2.710 -11.398 -7.341 1.00 0.00 N ATOM 123 CA LYS A 8 -2.350 -12.799 -7.071 1.00 0.00 C ATOM 124 C LYS A 8 -3.522 -13.640 -6.486 1.00 0.00 C ATOM 125 O LYS A 8 -3.412 -14.862 -6.379 1.00 0.00 O ATOM 126 CB LYS A 8 -1.153 -12.844 -6.121 1.00 0.00 C ATOM 127 CG LYS A 8 -1.459 -12.387 -4.701 1.00 0.00 C ATOM 128 CD LYS A 8 -0.219 -12.449 -3.820 1.00 0.00 C ATOM 129 CE LYS A 8 -0.271 -11.403 -2.716 1.00 0.00 C ATOM 130 NZ LYS A 8 0.997 -11.351 -1.940 1.00 0.00 N ATOM 0 H LYS A 8 -2.288 -10.735 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.097 -13.250 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.770 -13.864 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.358 -12.219 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.843 -11.367 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.242 -13.015 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.133 -13.442 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.671 -12.293 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.470 -10.424 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.099 -11.626 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.002 -10.502 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.073 -12.199 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.804 -11.316 -2.595 1.00 0.00 H new ATOM 144 N ASN A 9 -4.634 -12.999 -6.099 1.00 0.00 N ATOM 145 CA ASN A 9 -5.785 -13.725 -5.527 1.00 0.00 C ATOM 146 C ASN A 9 -6.381 -14.721 -6.531 1.00 0.00 C ATOM 147 O ASN A 9 -7.150 -15.606 -6.159 1.00 0.00 O ATOM 148 CB ASN A 9 -6.861 -12.767 -5.046 1.00 0.00 C ATOM 149 CG ASN A 9 -6.588 -12.185 -3.686 1.00 0.00 C ATOM 150 OD1 ASN A 9 -5.757 -12.694 -2.926 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.343 -11.172 -3.345 1.00 0.00 N ATOM 0 H ASN A 9 -4.764 -11.990 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.410 -14.285 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.960 -11.955 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.817 -13.290 -5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.261 -10.765 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.014 -10.789 -4.011 1.00 0.00 H new ATOM 158 N TYR A 10 -6.027 -14.561 -7.804 1.00 0.00 N ATOM 159 CA TYR A 10 -6.578 -15.398 -8.874 1.00 0.00 C ATOM 160 C TYR A 10 -5.835 -15.194 -10.200 1.00 0.00 C ATOM 161 O TYR A 10 -4.954 -14.339 -10.311 1.00 0.00 O ATOM 162 CB TYR A 10 -8.069 -15.107 -9.061 1.00 0.00 C ATOM 163 CG TYR A 10 -8.416 -13.635 -9.019 1.00 0.00 C ATOM 164 CD1 TYR A 10 -8.041 -12.784 -10.048 1.00 0.00 C ATOM 165 CD2 TYR A 10 -9.120 -13.101 -7.949 1.00 0.00 C ATOM 166 CE1 TYR A 10 -8.355 -11.439 -10.014 1.00 0.00 C ATOM 167 CE2 TYR A 10 -9.439 -11.758 -7.905 1.00 0.00 C ATOM 168 CZ TYR A 10 -9.055 -10.931 -8.940 1.00 0.00 C ATOM 169 OH TYR A 10 -9.372 -9.592 -8.901 1.00 0.00 O ATOM 0 H TYR A 10 -5.360 -13.859 -8.123 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.446 -16.438 -8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.393 -15.519 -10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.631 -15.625 -8.284 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.494 -13.180 -10.891 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.423 -13.746 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.054 -10.790 -10.823 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.986 -11.357 -7.065 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.867 -9.397 -8.078 1.00 0.00 H new ATOM 179 N GLN A 11 -6.209 -15.979 -11.205 1.00 0.00 N ATOM 180 CA GLN A 11 -5.668 -15.816 -12.555 1.00 0.00 C ATOM 181 C GLN A 11 -6.677 -15.095 -13.464 1.00 0.00 C ATOM 182 O GLN A 11 -7.522 -15.730 -14.100 1.00 0.00 O ATOM 183 CB GLN A 11 -5.305 -17.178 -13.153 1.00 0.00 C ATOM 184 CG GLN A 11 -4.667 -17.103 -14.530 1.00 0.00 C ATOM 185 CD GLN A 11 -3.406 -16.261 -14.538 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.561 -16.374 -13.646 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.275 -15.404 -15.544 1.00 0.00 N ATOM 0 H GLN A 11 -6.886 -16.737 -11.112 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.766 -15.208 -12.487 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.621 -17.689 -12.475 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.207 -17.787 -13.215 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.430 -18.110 -14.873 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.384 -16.686 -15.237 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.999 -15.344 -16.260 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.451 -14.806 -15.600 1.00 0.00 H new ATOM 196 N HIS A 12 -6.608 -13.765 -13.509 1.00 0.00 N ATOM 197 CA HIS A 12 -7.486 -12.986 -14.397 1.00 0.00 C ATOM 198 C HIS A 12 -6.738 -12.391 -15.603 1.00 0.00 C ATOM 199 O HIS A 12 -7.176 -12.549 -16.741 1.00 0.00 O ATOM 200 CB HIS A 12 -8.170 -11.863 -13.611 1.00 0.00 C ATOM 201 CG HIS A 12 -9.181 -11.100 -14.410 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.357 -11.667 -14.854 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.194 -9.818 -14.842 1.00 0.00 C ATOM 204 CE1 HIS A 12 -11.050 -10.764 -15.527 1.00 0.00 C ATOM 205 NE2 HIS A 12 -10.365 -9.635 -15.534 1.00 0.00 N ATOM 0 H HIS A 12 -5.964 -13.205 -12.951 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.232 -13.678 -14.787 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.659 -12.290 -12.735 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.410 -11.171 -13.247 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.426 -9.077 -14.674 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.012 -10.923 -15.992 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.659 -8.767 -15.982 1.00 0.00 H new ATOM 210 N LEU A 13 -5.614 -11.718 -15.371 1.00 0.00 N ATOM 211 CA LEU A 13 -4.863 -11.107 -16.474 1.00 0.00 C ATOM 212 C LEU A 13 -3.544 -11.860 -16.738 1.00 0.00 C ATOM 213 O LEU A 13 -3.081 -12.623 -15.892 1.00 0.00 O ATOM 214 CB LEU A 13 -4.585 -9.630 -16.168 1.00 0.00 C ATOM 215 CG LEU A 13 -5.829 -8.775 -15.897 1.00 0.00 C ATOM 216 CD1 LEU A 13 -5.416 -7.363 -15.503 1.00 0.00 C ATOM 217 CD2 LEU A 13 -6.710 -8.752 -17.138 1.00 0.00 C ATOM 0 H LEU A 13 -5.205 -11.581 -14.447 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.471 -11.174 -17.376 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.928 -9.573 -15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.042 -9.197 -17.008 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.395 -9.208 -15.072 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.306 -6.763 -15.313 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.804 -7.401 -14.602 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.842 -6.913 -16.313 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.594 -8.144 -16.945 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.152 -8.327 -17.972 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.015 -9.768 -17.386 1.00 0.00 H new ATOM 229 N ARG A 14 -2.956 -11.663 -17.919 1.00 0.00 N ATOM 230 CA ARG A 14 -1.602 -12.162 -18.205 1.00 0.00 C ATOM 231 C ARG A 14 -0.498 -11.287 -17.584 1.00 0.00 C ATOM 232 O ARG A 14 0.681 -11.493 -17.878 1.00 0.00 O ATOM 233 CB ARG A 14 -1.378 -12.347 -19.698 1.00 0.00 C ATOM 234 CG ARG A 14 -2.211 -13.447 -20.339 1.00 0.00 C ATOM 235 CD ARG A 14 -2.002 -13.600 -21.801 1.00 0.00 C ATOM 236 NE ARG A 14 -2.862 -14.589 -22.432 1.00 0.00 N ATOM 237 CZ ARG A 14 -2.833 -14.902 -23.742 1.00 0.00 C ATOM 238 NH1 ARG A 14 -2.018 -14.286 -24.569 1.00 0.00 N ATOM 239 NH2 ARG A 14 -3.663 -15.834 -24.180 1.00 0.00 N ATOM 0 H ARG A 14 -3.392 -11.163 -18.694 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.532 -13.139 -17.728 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.596 -11.406 -20.203 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.323 -12.564 -19.868 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.980 -14.393 -19.850 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.266 -13.242 -20.154 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.165 -12.635 -22.282 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.962 -13.874 -21.980 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.534 -15.080 -21.842 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.394 -13.558 -24.222 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.010 -14.536 -25.558 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.302 -16.294 -23.531 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.665 -16.093 -25.167 1.00 0.00 H new ATOM 253 N ASP A 15 -0.857 -10.338 -16.720 1.00 0.00 N ATOM 254 CA ASP A 15 0.146 -9.442 -16.119 1.00 0.00 C ATOM 255 C ASP A 15 1.097 -10.180 -15.160 1.00 0.00 C ATOM 256 O ASP A 15 0.670 -10.718 -14.144 1.00 0.00 O ATOM 257 CB ASP A 15 -0.547 -8.295 -15.379 1.00 0.00 C ATOM 258 CG ASP A 15 0.398 -7.225 -14.850 1.00 0.00 C ATOM 259 OD1 ASP A 15 1.588 -7.424 -14.919 1.00 0.00 O ATOM 260 OD2 ASP A 15 -0.067 -6.158 -14.529 1.00 0.00 O ATOM 0 H ASP A 15 -1.817 -10.166 -16.421 1.00 0.00 H new ATOM 0 HA ASP A 15 0.749 -9.046 -16.936 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.266 -7.827 -16.051 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.113 -8.707 -14.544 1.00 0.00 H new ATOM 265 N PRO A 16 2.422 -10.165 -15.444 1.00 0.00 N ATOM 266 CA PRO A 16 3.433 -10.788 -14.565 1.00 0.00 C ATOM 267 C PRO A 16 3.337 -10.297 -13.113 1.00 0.00 C ATOM 268 O PRO A 16 3.765 -10.984 -12.183 1.00 0.00 O ATOM 269 CB PRO A 16 4.767 -10.402 -15.210 1.00 0.00 C ATOM 270 CG PRO A 16 4.444 -10.216 -16.653 1.00 0.00 C ATOM 271 CD PRO A 16 3.067 -9.608 -16.678 1.00 0.00 C ATOM 0 HA PRO A 16 3.298 -11.867 -14.488 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.170 -9.488 -14.773 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.516 -11.181 -15.068 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.171 -9.564 -17.138 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.464 -11.167 -17.186 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.108 -8.519 -16.654 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.520 -9.887 -17.579 1.00 0.00 H new ATOM 279 N SER A 17 2.771 -9.102 -12.926 1.00 0.00 N ATOM 280 CA SER A 17 2.618 -8.502 -11.593 1.00 0.00 C ATOM 281 C SER A 17 1.849 -9.424 -10.632 1.00 0.00 C ATOM 282 O SER A 17 2.079 -9.400 -9.425 1.00 0.00 O ATOM 283 CB SER A 17 1.916 -7.162 -11.707 1.00 0.00 C ATOM 284 OG SER A 17 2.619 -6.267 -12.523 1.00 0.00 O ATOM 0 H SER A 17 2.408 -8.525 -13.685 1.00 0.00 H new ATOM 0 HA SER A 17 3.616 -8.357 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.915 -7.311 -12.111 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.797 -6.730 -10.713 1.00 0.00 H new ATOM 0 HG SER A 17 2.479 -6.503 -13.464 1.00 0.00 H new ATOM 290 N GLU A 18 0.944 -10.242 -11.171 1.00 0.00 N ATOM 291 CA GLU A 18 0.206 -11.220 -10.363 1.00 0.00 C ATOM 292 C GLU A 18 1.184 -12.200 -9.673 1.00 0.00 C ATOM 293 O GLU A 18 0.986 -12.604 -8.520 1.00 0.00 O ATOM 294 CB GLU A 18 -0.796 -11.986 -11.230 1.00 0.00 C ATOM 295 CG GLU A 18 -1.956 -11.145 -11.742 1.00 0.00 C ATOM 296 CD GLU A 18 -2.847 -11.940 -12.656 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.524 -13.070 -12.933 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.906 -11.461 -12.985 1.00 0.00 O ATOM 0 H GLU A 18 0.703 -10.249 -12.162 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.346 -10.683 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.268 -12.413 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.195 -12.820 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.537 -10.772 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.570 -10.275 -12.273 1.00 0.00 H new ATOM 305 N TYR A 19 2.271 -12.536 -10.368 1.00 0.00 N ATOM 306 CA TYR A 19 3.260 -13.493 -9.855 1.00 0.00 C ATOM 307 C TYR A 19 4.382 -12.774 -9.093 1.00 0.00 C ATOM 308 O TYR A 19 4.978 -13.324 -8.171 1.00 0.00 O ATOM 309 CB TYR A 19 3.870 -14.299 -11.003 1.00 0.00 C ATOM 310 CG TYR A 19 2.852 -14.984 -11.894 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.329 -16.228 -11.565 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.431 -14.392 -13.079 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.426 -16.864 -12.394 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.523 -15.020 -13.907 1.00 0.00 C ATOM 315 CZ TYR A 19 1.025 -16.255 -13.563 1.00 0.00 C ATOM 316 OH TYR A 19 0.129 -16.888 -14.395 1.00 0.00 O ATOM 0 H TYR A 19 2.492 -12.160 -11.290 1.00 0.00 H new ATOM 0 HA TYR A 19 2.743 -14.165 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.481 -13.634 -11.614 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.538 -15.054 -10.587 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.634 -16.706 -10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.821 -13.424 -13.357 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.036 -17.835 -12.127 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.204 -14.543 -14.822 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.784 -16.714 -14.085 1.00 0.00 H new ATOM 326 N MET A 20 4.674 -11.541 -9.491 1.00 0.00 N ATOM 327 CA MET A 20 5.660 -10.717 -8.785 1.00 0.00 C ATOM 328 C MET A 20 5.157 -10.387 -7.368 1.00 0.00 C ATOM 329 O MET A 20 5.933 -10.293 -6.420 1.00 0.00 O ATOM 330 CB MET A 20 5.944 -9.437 -9.567 1.00 0.00 C ATOM 331 CG MET A 20 6.706 -9.650 -10.867 1.00 0.00 C ATOM 332 SD MET A 20 6.937 -8.120 -11.796 1.00 0.00 S ATOM 333 CE MET A 20 7.834 -8.724 -13.224 1.00 0.00 C ATOM 0 H MET A 20 4.245 -11.086 -10.297 1.00 0.00 H new ATOM 0 HA MET A 20 6.590 -11.279 -8.701 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.997 -8.945 -9.791 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.514 -8.757 -8.933 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.680 -10.087 -10.645 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.168 -10.368 -11.486 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.989 -7.907 -13.929 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.800 -9.118 -12.907 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.260 -9.515 -13.707 1.00 0.00 H new ATOM 343 N SER A 21 3.842 -10.204 -7.249 1.00 0.00 N ATOM 344 CA SER A 21 3.194 -9.973 -5.952 1.00 0.00 C ATOM 345 C SER A 21 3.058 -11.286 -5.168 1.00 0.00 C ATOM 346 O SER A 21 3.057 -11.284 -3.940 1.00 0.00 O ATOM 347 CB SER A 21 1.834 -9.332 -6.152 1.00 0.00 C ATOM 348 OG SER A 21 0.948 -10.176 -6.834 1.00 0.00 O ATOM 0 H SER A 21 3.198 -10.211 -8.040 1.00 0.00 H new ATOM 0 HA SER A 21 3.819 -9.295 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.411 -9.071 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.950 -8.403 -6.710 1.00 0.00 H new ATOM 0 HG SER A 21 1.112 -10.113 -7.798 1.00 0.00 H new ATOM 354 N GLN A 22 2.921 -12.404 -5.894 1.00 0.00 N ATOM 355 CA GLN A 22 2.936 -13.744 -5.276 1.00 0.00 C ATOM 356 C GLN A 22 4.231 -13.972 -4.474 1.00 0.00 C ATOM 357 O GLN A 22 4.198 -14.250 -3.272 1.00 0.00 O ATOM 358 CB GLN A 22 2.792 -14.829 -6.346 1.00 0.00 C ATOM 359 CG GLN A 22 2.794 -16.247 -5.799 1.00 0.00 C ATOM 360 CD GLN A 22 2.835 -17.291 -6.898 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.839 -16.961 -8.088 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.860 -18.560 -6.507 1.00 0.00 N ATOM 0 H GLN A 22 2.799 -12.411 -6.907 1.00 0.00 H new ATOM 0 HA GLN A 22 2.091 -13.803 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.864 -14.664 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.607 -14.727 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.655 -16.379 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.903 -16.400 -5.190 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.856 -18.787 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.884 -19.307 -7.201 1.00 0.00 H new ATOM 371 N VAL A 23 5.370 -13.860 -5.150 1.00 0.00 N ATOM 372 CA VAL A 23 6.670 -14.082 -4.514 1.00 0.00 C ATOM 373 C VAL A 23 7.586 -12.853 -4.662 1.00 0.00 C ATOM 374 O VAL A 23 8.075 -12.540 -5.746 1.00 0.00 O ATOM 375 CB VAL A 23 7.381 -15.314 -5.104 1.00 0.00 C ATOM 376 CG1 VAL A 23 8.735 -15.516 -4.442 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.518 -16.556 -4.938 1.00 0.00 C ATOM 0 H VAL A 23 5.422 -13.617 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 23 6.475 -14.255 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 23 7.540 -15.143 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.223 -16.391 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.356 -14.636 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.598 -15.666 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.035 -17.418 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.330 -16.729 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.570 -16.412 -5.456 1.00 0.00 H new ATOM 387 N TYR A 24 7.813 -12.165 -3.546 1.00 0.00 N ATOM 388 CA TYR A 24 8.694 -10.988 -3.513 1.00 0.00 C ATOM 389 C TYR A 24 10.184 -11.387 -3.527 1.00 0.00 C ATOM 390 O TYR A 24 11.061 -10.532 -3.664 1.00 0.00 O ATOM 391 CB TYR A 24 8.391 -10.138 -2.278 1.00 0.00 C ATOM 392 CG TYR A 24 8.924 -10.718 -0.987 1.00 0.00 C ATOM 393 CD1 TYR A 24 8.193 -11.656 -0.273 1.00 0.00 C ATOM 394 CD2 TYR A 24 10.157 -10.325 -0.485 1.00 0.00 C ATOM 395 CE1 TYR A 24 8.675 -12.190 0.906 1.00 0.00 C ATOM 396 CE2 TYR A 24 10.650 -10.853 0.693 1.00 0.00 C ATOM 397 CZ TYR A 24 9.904 -11.785 1.387 1.00 0.00 C ATOM 398 OH TYR A 24 10.389 -12.313 2.562 1.00 0.00 O ATOM 0 H TYR A 24 7.399 -12.400 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 24 8.498 -10.404 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.815 -9.144 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.312 -10.014 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.230 -11.974 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.741 -9.594 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.094 -12.921 1.449 1.00 0.00 H new ATOM 0 HE2 TYR A 24 11.613 -10.539 1.068 1.00 0.00 H new ATOM 0 HH TYR A 24 9.686 -12.838 2.999 1.00 0.00 H new ATOM 408 N GLY A 25 10.467 -12.684 -3.396 1.00 0.00 N ATOM 409 CA GLY A 25 11.850 -13.154 -3.338 1.00 0.00 C ATOM 410 C GLY A 25 12.472 -13.496 -4.692 1.00 0.00 C ATOM 411 O GLY A 25 12.284 -12.779 -5.677 1.00 0.00 O ATOM 0 H GLY A 25 9.764 -13.420 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.459 -12.388 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.891 -14.038 -2.702 1.00 0.00 H new ATOM 415 N ASP A 26 13.224 -14.599 -4.726 1.00 0.00 N ATOM 416 CA ASP A 26 14.010 -14.997 -5.902 1.00 0.00 C ATOM 417 C ASP A 26 13.191 -14.978 -7.211 1.00 0.00 C ATOM 418 O ASP A 26 12.095 -15.541 -7.285 1.00 0.00 O ATOM 419 CB ASP A 26 14.603 -16.391 -5.682 1.00 0.00 C ATOM 420 CG ASP A 26 15.822 -16.420 -4.770 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.414 -15.386 -4.571 1.00 0.00 O ATOM 422 OD2 ASP A 26 16.057 -17.434 -4.159 1.00 0.00 O ATOM 0 H ASP A 26 13.307 -15.243 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 26 14.806 -14.261 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.833 -17.037 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.878 -16.812 -6.649 1.00 0.00 H new ATOM 427 N PRO A 27 13.734 -14.325 -8.267 1.00 0.00 N ATOM 428 CA PRO A 27 13.077 -14.216 -9.588 1.00 0.00 C ATOM 429 C PRO A 27 12.625 -15.560 -10.180 1.00 0.00 C ATOM 430 O PRO A 27 11.541 -15.654 -10.757 1.00 0.00 O ATOM 431 CB PRO A 27 14.145 -13.551 -10.462 1.00 0.00 C ATOM 432 CG PRO A 27 14.949 -12.734 -9.510 1.00 0.00 C ATOM 433 CD PRO A 27 15.020 -13.549 -8.246 1.00 0.00 C ATOM 0 HA PRO A 27 12.147 -13.652 -9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.762 -14.293 -10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 27 13.694 -12.930 -11.236 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.945 -12.536 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.480 -11.767 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.888 -14.208 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.094 -12.916 -7.362 1.00 0.00 H new ATOM 441 N LEU A 28 13.460 -16.592 -10.026 1.00 0.00 N ATOM 442 CA LEU A 28 13.198 -17.920 -10.607 1.00 0.00 C ATOM 443 C LEU A 28 11.857 -18.499 -10.118 1.00 0.00 C ATOM 444 O LEU A 28 11.138 -19.145 -10.880 1.00 0.00 O ATOM 445 CB LEU A 28 14.347 -18.879 -10.269 1.00 0.00 C ATOM 446 CG LEU A 28 14.215 -20.288 -10.861 1.00 0.00 C ATOM 447 CD1 LEU A 28 14.171 -20.215 -12.381 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.384 -21.145 -10.397 1.00 0.00 C ATOM 0 H LEU A 28 14.332 -16.536 -9.500 1.00 0.00 H new ATOM 0 HA LEU A 28 13.133 -17.805 -11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.281 -18.440 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.422 -18.963 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 28 13.286 -20.742 -10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.077 -21.221 -12.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.316 -19.615 -12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.089 -19.757 -12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.291 -22.146 -10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.319 -20.697 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.381 -21.207 -9.309 1.00 0.00 H new ATOM 460 N ALA A 29 11.525 -18.237 -8.856 1.00 0.00 N ATOM 461 CA ALA A 29 10.318 -18.788 -8.236 1.00 0.00 C ATOM 462 C ALA A 29 9.036 -18.402 -9.005 1.00 0.00 C ATOM 463 O ALA A 29 8.387 -19.257 -9.613 1.00 0.00 O ATOM 464 CB ALA A 29 10.227 -18.334 -6.783 1.00 0.00 C ATOM 0 H ALA A 29 12.078 -17.643 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 29 10.395 -19.875 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.327 -18.748 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.103 -18.684 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.186 -17.245 -6.744 1.00 0.00 H new ATOM 470 N TYR A 30 8.692 -17.113 -9.000 1.00 0.00 N ATOM 471 CA TYR A 30 7.472 -16.645 -9.676 1.00 0.00 C ATOM 472 C TYR A 30 7.637 -16.603 -11.207 1.00 0.00 C ATOM 473 O TYR A 30 6.653 -16.527 -11.937 1.00 0.00 O ATOM 474 CB TYR A 30 7.080 -15.260 -9.157 1.00 0.00 C ATOM 475 CG TYR A 30 8.091 -14.179 -9.471 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.125 -13.578 -10.720 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.004 -13.761 -8.516 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.046 -12.590 -11.012 1.00 0.00 C ATOM 479 CE2 TYR A 30 9.929 -12.774 -8.796 1.00 0.00 C ATOM 480 CZ TYR A 30 9.946 -12.190 -10.047 1.00 0.00 C ATOM 481 OH TYR A 30 10.864 -11.205 -10.331 1.00 0.00 O ATOM 0 H TYR A 30 9.231 -16.378 -8.542 1.00 0.00 H new ATOM 0 HA TYR A 30 6.681 -17.360 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.118 -14.980 -9.587 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.943 -15.313 -8.077 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.420 -13.887 -11.477 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.992 -14.215 -7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.061 -12.134 -11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.635 -12.461 -8.041 1.00 0.00 H new ATOM 0 HH TYR A 30 11.423 -11.041 -9.543 1.00 0.00 H new ATOM 491 N LEU A 31 8.881 -16.650 -11.688 1.00 0.00 N ATOM 492 CA LEU A 31 9.145 -16.833 -13.123 1.00 0.00 C ATOM 493 C LEU A 31 8.650 -18.207 -13.607 1.00 0.00 C ATOM 494 O LEU A 31 7.975 -18.314 -14.638 1.00 0.00 O ATOM 495 CB LEU A 31 10.643 -16.672 -13.410 1.00 0.00 C ATOM 496 CG LEU A 31 11.054 -16.888 -14.873 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.358 -15.871 -15.766 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.565 -16.772 -14.998 1.00 0.00 C ATOM 0 H LEU A 31 9.719 -16.565 -11.112 1.00 0.00 H new ATOM 0 HA LEU A 31 8.596 -16.067 -13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.949 -15.671 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.194 -17.376 -12.787 1.00 0.00 H new ATOM 0 HG LEU A 31 10.751 -17.885 -15.193 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.656 -16.032 -16.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.278 -15.987 -15.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.641 -14.864 -15.460 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.857 -16.925 -16.037 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.882 -15.780 -14.675 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.041 -17.527 -14.372 1.00 0.00 H new ATOM 510 N GLN A 32 8.973 -19.255 -12.849 1.00 0.00 N ATOM 511 CA GLN A 32 8.479 -20.598 -13.152 1.00 0.00 C ATOM 512 C GLN A 32 6.950 -20.661 -13.054 1.00 0.00 C ATOM 513 O GLN A 32 6.302 -21.305 -13.874 1.00 0.00 O ATOM 514 CB GLN A 32 9.102 -21.625 -12.202 1.00 0.00 C ATOM 515 CG GLN A 32 10.575 -21.895 -12.458 1.00 0.00 C ATOM 516 CD GLN A 32 10.815 -22.584 -13.788 1.00 0.00 C ATOM 517 OE1 GLN A 32 10.014 -23.414 -14.226 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.924 -22.245 -14.436 1.00 0.00 N ATOM 0 H GLN A 32 9.571 -19.201 -12.025 1.00 0.00 H new ATOM 0 HA GLN A 32 8.769 -20.835 -14.176 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.981 -21.276 -11.177 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.552 -22.562 -12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.123 -20.953 -12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.973 -22.514 -11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.558 -21.553 -14.035 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.142 -22.676 -15.334 1.00 0.00 H new ATOM 527 N GLU A 33 6.375 -19.976 -12.066 1.00 0.00 N ATOM 528 CA GLU A 33 4.913 -19.885 -11.943 1.00 0.00 C ATOM 529 C GLU A 33 4.310 -19.086 -13.118 1.00 0.00 C ATOM 530 O GLU A 33 3.237 -19.419 -13.622 1.00 0.00 O ATOM 531 CB GLU A 33 4.527 -19.239 -10.611 1.00 0.00 C ATOM 532 CG GLU A 33 3.086 -19.486 -10.187 1.00 0.00 C ATOM 533 CD GLU A 33 2.939 -20.816 -9.501 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.020 -21.819 -10.169 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.858 -20.835 -8.295 1.00 0.00 O ATOM 0 H GLU A 33 6.892 -19.478 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 33 4.508 -20.896 -11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.191 -19.615 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.693 -18.164 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.760 -18.691 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.436 -19.452 -11.062 1.00 0.00 H new ATOM 542 N THR A 34 5.021 -18.050 -13.572 1.00 0.00 N ATOM 543 CA THR A 34 4.563 -17.230 -14.712 1.00 0.00 C ATOM 544 C THR A 34 4.496 -18.055 -16.006 1.00 0.00 C ATOM 545 O THR A 34 3.574 -17.905 -16.812 1.00 0.00 O ATOM 546 CB THR A 34 5.482 -16.016 -14.941 1.00 0.00 C ATOM 547 OG1 THR A 34 5.456 -15.169 -13.785 1.00 0.00 O ATOM 548 CG2 THR A 34 5.025 -15.223 -16.155 1.00 0.00 C ATOM 0 H THR A 34 5.913 -17.755 -13.174 1.00 0.00 H new ATOM 0 HA THR A 34 3.563 -16.878 -14.458 1.00 0.00 H new ATOM 0 HB THR A 34 6.496 -16.375 -15.115 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.135 -15.468 -13.145 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.686 -14.369 -16.302 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.055 -15.861 -17.038 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.006 -14.870 -15.997 1.00 0.00 H new ATOM 556 N THR A 35 5.489 -18.918 -16.205 1.00 0.00 N ATOM 557 CA THR A 35 5.613 -19.696 -17.449 1.00 0.00 C ATOM 558 C THR A 35 4.832 -21.028 -17.391 1.00 0.00 C ATOM 559 O THR A 35 4.432 -21.570 -18.428 1.00 0.00 O ATOM 560 CB THR A 35 7.088 -19.999 -17.770 1.00 0.00 C ATOM 561 OG1 THR A 35 7.669 -20.753 -16.698 1.00 0.00 O ATOM 562 CG2 THR A 35 7.870 -18.707 -17.956 1.00 0.00 C ATOM 0 H THR A 35 6.225 -19.101 -15.523 1.00 0.00 H new ATOM 0 HA THR A 35 5.183 -19.077 -18.236 1.00 0.00 H new ATOM 0 HB THR A 35 7.131 -20.575 -18.694 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.861 -20.156 -15.945 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.910 -18.941 -18.182 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.439 -18.136 -18.779 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.821 -18.117 -17.041 1.00 0.00 H new ATOM 570 N LYS A 36 4.596 -21.545 -16.186 1.00 0.00 N ATOM 571 CA LYS A 36 3.906 -22.834 -16.018 1.00 0.00 C ATOM 572 C LYS A 36 2.581 -22.713 -15.230 1.00 0.00 C ATOM 573 O LYS A 36 1.557 -23.265 -15.645 1.00 0.00 O ATOM 574 CB LYS A 36 4.832 -23.832 -15.322 1.00 0.00 C ATOM 575 CG LYS A 36 6.153 -24.073 -16.042 1.00 0.00 C ATOM 576 CD LYS A 36 5.942 -24.819 -17.350 1.00 0.00 C ATOM 577 CE LYS A 36 7.264 -25.087 -18.056 1.00 0.00 C ATOM 578 NZ LYS A 36 7.066 -25.727 -19.384 1.00 0.00 N ATOM 0 H LYS A 36 4.869 -21.097 -15.311 1.00 0.00 H new ATOM 0 HA LYS A 36 3.650 -23.188 -17.017 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.042 -23.473 -14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.310 -24.783 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.641 -23.119 -16.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.821 -24.645 -15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.434 -25.763 -17.154 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.291 -24.236 -18.002 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.804 -24.149 -18.183 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.884 -25.730 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.990 -25.892 -19.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.573 -26.635 -19.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.496 -25.102 -19.989 1.00 0.00 H new ATOM 592 N PHE A 37 2.621 -22.013 -14.088 1.00 0.00 N ATOM 593 CA PHE A 37 1.465 -21.883 -13.169 1.00 0.00 C ATOM 594 C PHE A 37 1.263 -23.170 -12.331 1.00 0.00 C ATOM 595 O PHE A 37 0.417 -23.229 -11.430 1.00 0.00 O ATOM 596 CB PHE A 37 0.181 -21.514 -13.948 1.00 0.00 C ATOM 597 CG PHE A 37 -0.985 -21.092 -13.079 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.133 -19.767 -12.695 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.932 -22.015 -12.655 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.198 -19.371 -11.907 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.997 -21.622 -11.865 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.130 -20.300 -11.492 1.00 0.00 C ATOM 0 H PHE A 37 3.453 -21.518 -13.769 1.00 0.00 H new ATOM 0 HA PHE A 37 1.681 -21.072 -12.474 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.412 -20.705 -14.641 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.122 -22.371 -14.549 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.407 -19.035 -13.016 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.836 -23.051 -12.945 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.300 -18.336 -11.617 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.725 -22.350 -11.540 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.962 -19.993 -10.876 1.00 0.00 H new ATOM 612 N VAL A 38 2.078 -24.189 -12.613 1.00 0.00 N ATOM 613 CA VAL A 38 1.905 -25.535 -12.046 1.00 0.00 C ATOM 614 C VAL A 38 3.264 -26.164 -11.677 1.00 0.00 C ATOM 615 O VAL A 38 4.319 -25.628 -12.015 1.00 0.00 O ATOM 616 CB VAL A 38 1.165 -26.468 -13.023 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.235 -25.942 -13.305 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.949 -26.612 -14.319 1.00 0.00 C ATOM 0 H VAL A 38 2.878 -24.108 -13.241 1.00 0.00 H new ATOM 0 HA VAL A 38 1.305 -25.421 -11.143 1.00 0.00 H new ATOM 0 HB VAL A 38 1.078 -27.451 -12.561 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.743 -26.613 -13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.798 -25.887 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.168 -24.948 -13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.412 -27.275 -14.998 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.066 -25.633 -14.784 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.932 -27.032 -14.105 1.00 0.00 H new ATOM 628 N THR A 39 3.236 -27.307 -10.996 1.00 0.00 N ATOM 629 CA THR A 39 4.479 -28.013 -10.636 1.00 0.00 C ATOM 630 C THR A 39 5.387 -28.279 -11.856 1.00 0.00 C ATOM 631 O THR A 39 4.969 -28.851 -12.863 1.00 0.00 O ATOM 632 CB THR A 39 4.172 -29.354 -9.945 1.00 0.00 C ATOM 633 OG1 THR A 39 3.357 -29.124 -8.789 1.00 0.00 O ATOM 634 CG2 THR A 39 5.461 -30.044 -9.524 1.00 0.00 C ATOM 0 H THR A 39 2.381 -27.766 -10.682 1.00 0.00 H new ATOM 0 HA THR A 39 5.011 -27.353 -9.951 1.00 0.00 H new ATOM 0 HB THR A 39 3.642 -29.995 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.472 -28.811 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.225 -30.990 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.077 -30.232 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.006 -29.405 -8.829 1.00 0.00 H new ATOM 642 N GLU A 40 6.636 -27.824 -11.762 1.00 0.00 N ATOM 643 CA GLU A 40 7.637 -28.026 -12.823 1.00 0.00 C ATOM 644 C GLU A 40 9.012 -28.383 -12.229 1.00 0.00 C ATOM 645 O GLU A 40 9.410 -27.838 -11.201 1.00 0.00 O ATOM 646 CB GLU A 40 7.750 -26.776 -13.698 1.00 0.00 C ATOM 647 CG GLU A 40 8.762 -26.889 -14.829 1.00 0.00 C ATOM 648 CD GLU A 40 8.462 -28.066 -15.715 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.395 -28.105 -16.279 1.00 0.00 O ATOM 650 OE2 GLU A 40 9.341 -28.870 -15.917 1.00 0.00 O ATOM 0 H GLU A 40 6.987 -27.307 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 40 7.305 -28.861 -13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.771 -26.556 -14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.021 -25.929 -13.067 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.753 -25.974 -15.421 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.765 -26.990 -14.414 1.00 0.00 H new ATOM 657 N ARG A 41 9.747 -29.290 -12.880 1.00 0.00 N ATOM 658 CA ARG A 41 11.060 -29.714 -12.376 1.00 0.00 C ATOM 659 C ARG A 41 11.878 -28.507 -11.897 1.00 0.00 C ATOM 660 O ARG A 41 12.361 -28.484 -10.768 1.00 0.00 O ATOM 661 CB ARG A 41 11.829 -30.541 -13.395 1.00 0.00 C ATOM 662 CG ARG A 41 13.185 -31.040 -12.922 1.00 0.00 C ATOM 663 CD ARG A 41 13.892 -31.911 -13.896 1.00 0.00 C ATOM 664 NE ARG A 41 15.211 -32.347 -13.469 1.00 0.00 N ATOM 665 CZ ARG A 41 15.986 -33.216 -14.146 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.566 -33.773 -15.259 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.174 -33.513 -13.647 1.00 0.00 N ATOM 0 H ARG A 41 9.460 -29.742 -13.748 1.00 0.00 H new ATOM 0 HA ARG A 41 10.883 -30.364 -11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.220 -31.400 -13.678 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.972 -29.942 -14.294 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.816 -30.181 -12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.051 -31.591 -11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.278 -32.790 -14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.989 -31.375 -14.840 1.00 0.00 H new ATOM 0 HE ARG A 41 15.576 -31.968 -12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.640 -33.549 -15.623 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.166 -34.429 -15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.481 -33.087 -12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.784 -34.168 -14.137 1.00 0.00 H new ATOM 681 N GLU A 42 11.994 -27.491 -12.746 1.00 0.00 N ATOM 682 CA GLU A 42 12.792 -26.298 -12.430 1.00 0.00 C ATOM 683 C GLU A 42 12.173 -25.509 -11.257 1.00 0.00 C ATOM 684 O GLU A 42 12.875 -24.862 -10.483 1.00 0.00 O ATOM 685 CB GLU A 42 12.922 -25.400 -13.663 1.00 0.00 C ATOM 686 CG GLU A 42 13.813 -25.964 -14.760 1.00 0.00 C ATOM 687 CD GLU A 42 13.724 -25.139 -16.014 1.00 0.00 C ATOM 688 OE1 GLU A 42 12.893 -24.265 -16.069 1.00 0.00 O ATOM 689 OE2 GLU A 42 14.559 -25.306 -16.872 1.00 0.00 O ATOM 0 H GLU A 42 11.546 -27.464 -13.662 1.00 0.00 H new ATOM 0 HA GLU A 42 13.786 -26.629 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.928 -25.222 -14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.317 -24.432 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.846 -25.993 -14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.521 -26.992 -14.977 1.00 0.00 H new ATOM 696 N TYR A 43 10.849 -25.588 -11.141 1.00 0.00 N ATOM 697 CA TYR A 43 10.089 -24.876 -10.105 1.00 0.00 C ATOM 698 C TYR A 43 10.357 -25.447 -8.699 1.00 0.00 C ATOM 699 O TYR A 43 10.247 -24.731 -7.705 1.00 0.00 O ATOM 700 CB TYR A 43 8.591 -24.931 -10.414 1.00 0.00 C ATOM 701 CG TYR A 43 7.756 -23.992 -9.574 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.347 -22.968 -8.848 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.377 -24.131 -9.509 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.588 -22.107 -8.079 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.609 -23.277 -8.743 1.00 0.00 C ATOM 706 CZ TYR A 43 6.218 -22.265 -8.029 1.00 0.00 C ATOM 707 OH TYR A 43 5.457 -21.410 -7.266 1.00 0.00 O ATOM 0 H TYR A 43 10.267 -26.149 -11.763 1.00 0.00 H new ATOM 0 HA TYR A 43 10.424 -23.839 -10.111 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.439 -24.693 -11.467 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.236 -25.950 -10.263 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.419 -22.842 -8.885 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.896 -24.921 -10.067 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.064 -21.315 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.537 -23.400 -8.703 1.00 0.00 H new ATOM 0 HH TYR A 43 4.533 -21.413 -7.594 1.00 0.00 H new ATOM 717 N TYR A 44 10.707 -26.737 -8.615 1.00 0.00 N ATOM 718 CA TYR A 44 11.037 -27.354 -7.312 1.00 0.00 C ATOM 719 C TYR A 44 12.426 -28.027 -7.284 1.00 0.00 C ATOM 720 O TYR A 44 12.786 -28.646 -6.286 1.00 0.00 O ATOM 721 CB TYR A 44 9.966 -28.381 -6.939 1.00 0.00 C ATOM 722 CG TYR A 44 9.932 -29.590 -7.847 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.831 -30.632 -7.680 1.00 0.00 C ATOM 724 CD2 TYR A 44 8.998 -29.686 -8.867 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.805 -31.739 -8.506 1.00 0.00 C ATOM 726 CE2 TYR A 44 8.961 -30.788 -9.700 1.00 0.00 C ATOM 727 CZ TYR A 44 9.867 -31.813 -9.516 1.00 0.00 C ATOM 728 OH TYR A 44 9.835 -32.914 -10.342 1.00 0.00 O ATOM 0 H TYR A 44 10.770 -27.368 -9.414 1.00 0.00 H new ATOM 0 HA TYR A 44 11.064 -26.543 -6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.136 -28.713 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.990 -27.897 -6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.565 -30.577 -6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.287 -28.886 -9.013 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.514 -32.541 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.227 -30.847 -10.490 1.00 0.00 H new ATOM 0 HH TYR A 44 9.115 -32.809 -10.999 1.00 0.00 H new ATOM 738 N GLU A 45 13.201 -27.905 -8.364 1.00 0.00 N ATOM 739 CA GLU A 45 14.552 -28.498 -8.428 1.00 0.00 C ATOM 740 C GLU A 45 15.451 -28.045 -7.257 1.00 0.00 C ATOM 741 O GLU A 45 16.082 -28.868 -6.591 1.00 0.00 O ATOM 742 CB GLU A 45 15.220 -28.145 -9.759 1.00 0.00 C ATOM 743 CG GLU A 45 16.624 -28.705 -9.926 1.00 0.00 C ATOM 744 CD GLU A 45 17.190 -28.369 -11.278 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.500 -27.749 -12.052 1.00 0.00 O ATOM 746 OE2 GLU A 45 18.349 -28.633 -11.498 1.00 0.00 O ATOM 0 H GLU A 45 12.923 -27.403 -9.208 1.00 0.00 H new ATOM 0 HA GLU A 45 14.431 -29.578 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.596 -28.513 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.261 -27.060 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.273 -28.303 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.604 -29.787 -9.797 1.00 0.00 H new ATOM 753 N ASP A 46 15.517 -26.739 -7.018 1.00 0.00 N ATOM 754 CA ASP A 46 16.353 -26.200 -5.937 1.00 0.00 C ATOM 755 C ASP A 46 15.512 -25.501 -4.855 1.00 0.00 C ATOM 756 O ASP A 46 16.029 -24.693 -4.074 1.00 0.00 O ATOM 757 CB ASP A 46 17.389 -25.226 -6.504 1.00 0.00 C ATOM 758 CG ASP A 46 18.415 -25.867 -7.428 1.00 0.00 C ATOM 759 OD1 ASP A 46 19.026 -26.830 -7.030 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.468 -25.490 -8.575 1.00 0.00 O ATOM 0 H ASP A 46 15.008 -26.034 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 46 16.863 -27.041 -5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.869 -24.438 -7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.912 -24.748 -5.676 1.00 0.00 H new ATOM 765 N PHE A 47 14.225 -25.824 -4.804 1.00 0.00 N ATOM 766 CA PHE A 47 13.292 -25.158 -3.889 1.00 0.00 C ATOM 767 C PHE A 47 12.797 -26.100 -2.776 1.00 0.00 C ATOM 768 O PHE A 47 12.846 -27.325 -2.905 1.00 0.00 O ATOM 769 CB PHE A 47 12.102 -24.598 -4.670 1.00 0.00 C ATOM 770 CG PHE A 47 12.468 -23.504 -5.632 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.943 -23.805 -6.899 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.339 -22.171 -5.271 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.281 -22.799 -7.785 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.674 -21.164 -6.154 1.00 0.00 C ATOM 775 CZ PHE A 47 13.146 -21.479 -7.413 1.00 0.00 C ATOM 0 H PHE A 47 13.798 -26.545 -5.386 1.00 0.00 H new ATOM 0 HA PHE A 47 13.832 -24.342 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.627 -25.410 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.364 -24.217 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.050 -24.837 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.972 -21.918 -4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.651 -23.048 -8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.567 -20.130 -5.860 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.409 -20.692 -8.105 1.00 0.00 H new ATOM 785 N GLY A 48 12.310 -25.519 -1.682 1.00 0.00 N ATOM 786 CA GLY A 48 11.794 -26.319 -0.575 1.00 0.00 C ATOM 787 C GLY A 48 11.844 -25.602 0.771 1.00 0.00 C ATOM 788 O GLY A 48 10.960 -25.776 1.610 1.00 0.00 O ATOM 0 H GLY A 48 12.262 -24.510 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.763 -26.599 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.368 -27.243 -0.507 1.00 0.00 H new ATOM 792 N TYR A 49 12.875 -24.789 0.980 1.00 0.00 N ATOM 793 CA TYR A 49 13.073 -24.106 2.268 1.00 0.00 C ATOM 794 C TYR A 49 13.215 -22.587 2.091 1.00 0.00 C ATOM 795 O TYR A 49 13.866 -22.120 1.162 1.00 0.00 O ATOM 796 CB TYR A 49 14.304 -24.674 2.988 1.00 0.00 C ATOM 797 CG TYR A 49 14.141 -26.125 3.420 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.417 -27.174 2.545 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.703 -26.440 4.702 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.262 -28.491 2.939 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.546 -27.755 5.100 1.00 0.00 C ATOM 802 CZ TYR A 49 13.825 -28.775 4.216 1.00 0.00 C ATOM 803 OH TYR A 49 13.666 -30.083 4.611 1.00 0.00 O ATOM 0 H TYR A 49 13.588 -24.583 0.280 1.00 0.00 H new ATOM 0 HA TYR A 49 12.187 -24.287 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.169 -24.595 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.515 -24.064 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.757 -26.955 1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.482 -25.644 5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.482 -29.293 2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.206 -27.982 6.100 1.00 0.00 H new ATOM 0 HH TYR A 49 12.711 -30.303 4.636 1.00 0.00 H new ATOM 813 N GLY A 50 12.608 -21.828 3.002 1.00 0.00 N ATOM 814 CA GLY A 50 12.689 -20.370 2.958 1.00 0.00 C ATOM 815 C GLY A 50 11.318 -19.714 3.087 1.00 0.00 C ATOM 816 O GLY A 50 10.336 -20.401 3.357 1.00 0.00 O ATOM 0 H GLY A 50 12.057 -22.197 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.335 -20.019 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.151 -20.061 2.020 1.00 0.00 H new ATOM 820 N GLU A 51 11.253 -18.395 2.884 1.00 0.00 N ATOM 821 CA GLU A 51 9.983 -17.647 2.963 1.00 0.00 C ATOM 822 C GLU A 51 8.960 -18.159 1.941 1.00 0.00 C ATOM 823 O GLU A 51 7.875 -18.604 2.299 1.00 0.00 O ATOM 824 CB GLU A 51 10.227 -16.152 2.748 1.00 0.00 C ATOM 825 CG GLU A 51 10.661 -15.400 3.998 1.00 0.00 C ATOM 826 CD GLU A 51 9.476 -14.875 4.760 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.239 -15.343 5.848 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.874 -13.932 4.307 1.00 0.00 O ATOM 0 H GLU A 51 12.064 -17.817 2.663 1.00 0.00 H new ATOM 0 HA GLU A 51 9.574 -17.805 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.991 -16.028 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.313 -15.698 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.244 -16.062 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.312 -14.572 3.719 1.00 0.00 H new ATOM 835 N CYS A 52 9.319 -18.083 0.667 1.00 0.00 N ATOM 836 CA CYS A 52 8.601 -18.795 -0.392 1.00 0.00 C ATOM 837 C CYS A 52 9.553 -19.770 -1.097 1.00 0.00 C ATOM 838 O CYS A 52 9.723 -19.718 -2.314 1.00 0.00 O ATOM 839 CB CYS A 52 8.171 -17.671 -1.335 1.00 0.00 C ATOM 840 SG CYS A 52 7.051 -16.459 -0.594 1.00 0.00 S ATOM 0 H CYS A 52 10.110 -17.531 0.335 1.00 0.00 H new ATOM 0 HA CYS A 52 7.760 -19.389 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.061 -17.153 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.686 -18.110 -2.206 1.00 0.00 H new ATOM 0 HG CYS A 52 6.751 -15.551 -1.474 1.00 0.00 H new ATOM 846 N PHE A 53 10.211 -20.628 -0.308 1.00 0.00 N ATOM 847 CA PHE A 53 11.211 -21.583 -0.828 1.00 0.00 C ATOM 848 C PHE A 53 12.428 -20.871 -1.459 1.00 0.00 C ATOM 849 O PHE A 53 13.169 -21.474 -2.237 1.00 0.00 O ATOM 850 CB PHE A 53 10.580 -22.529 -1.870 1.00 0.00 C ATOM 851 CG PHE A 53 9.444 -23.396 -1.367 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.868 -23.184 -0.125 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.948 -24.429 -2.160 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.828 -23.980 0.314 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.910 -25.223 -1.720 1.00 0.00 C ATOM 856 CZ PHE A 53 7.349 -24.998 -0.483 1.00 0.00 C ATOM 0 H PHE A 53 10.071 -20.684 0.701 1.00 0.00 H new ATOM 0 HA PHE A 53 11.560 -22.161 0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.214 -21.929 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.361 -23.179 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.236 -22.389 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.382 -24.610 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.389 -23.804 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.537 -26.021 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.535 -25.618 -0.137 1.00 0.00 H new ATOM 866 N ASN A 54 12.643 -19.606 -1.102 1.00 0.00 N ATOM 867 CA ASN A 54 13.683 -18.788 -1.737 1.00 0.00 C ATOM 868 C ASN A 54 14.942 -18.649 -0.859 1.00 0.00 C ATOM 869 O ASN A 54 15.004 -19.178 0.251 1.00 0.00 O ATOM 870 CB ASN A 54 13.148 -17.414 -2.098 1.00 0.00 C ATOM 871 CG ASN A 54 12.728 -16.597 -0.908 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.455 -16.491 0.086 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.524 -16.087 -0.971 1.00 0.00 N ATOM 0 H ASN A 54 12.113 -19.122 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 54 13.974 -19.310 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.914 -16.869 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.295 -17.530 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.145 -15.573 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.965 -16.203 -1.816 1.00 0.00 H new ATOM 880 N SER A 55 15.938 -17.918 -1.367 1.00 0.00 N ATOM 881 CA SER A 55 17.169 -17.624 -0.610 1.00 0.00 C ATOM 882 C SER A 55 17.293 -16.118 -0.324 1.00 0.00 C ATOM 883 O SER A 55 18.387 -15.553 -0.338 1.00 0.00 O ATOM 884 CB SER A 55 18.383 -18.119 -1.371 1.00 0.00 C ATOM 885 OG SER A 55 18.471 -17.551 -2.649 1.00 0.00 O ATOM 0 H SER A 55 15.920 -17.515 -2.304 1.00 0.00 H new ATOM 0 HA SER A 55 17.115 -18.146 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.285 -17.883 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.337 -19.204 -1.459 1.00 0.00 H new ATOM 0 HG SER A 55 17.628 -17.693 -3.129 1.00 0.00 H new ATOM 891 N THR A 56 16.149 -15.480 -0.087 1.00 0.00 N ATOM 892 CA THR A 56 16.078 -14.044 0.219 1.00 0.00 C ATOM 893 C THR A 56 15.675 -13.774 1.681 1.00 0.00 C ATOM 894 O THR A 56 15.130 -14.643 2.360 1.00 0.00 O ATOM 895 CB THR A 56 15.083 -13.327 -0.711 1.00 0.00 C ATOM 896 OG1 THR A 56 13.755 -13.799 -0.449 1.00 0.00 O ATOM 897 CG2 THR A 56 15.432 -13.588 -2.168 1.00 0.00 C ATOM 0 H THR A 56 15.239 -15.942 -0.101 1.00 0.00 H new ATOM 0 HA THR A 56 17.082 -13.652 0.059 1.00 0.00 H new ATOM 0 HB THR A 56 15.139 -12.255 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.108 -13.234 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.718 -13.073 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.437 -13.219 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.392 -14.659 -2.366 1.00 0.00 H new ATOM 905 N GLU A 57 15.945 -12.551 2.153 1.00 0.00 N ATOM 906 CA GLU A 57 15.639 -12.143 3.535 1.00 0.00 C ATOM 907 C GLU A 57 14.128 -11.997 3.815 1.00 0.00 C ATOM 908 O GLU A 57 13.398 -11.340 3.064 1.00 0.00 O ATOM 909 CB GLU A 57 16.350 -10.825 3.854 1.00 0.00 C ATOM 910 CG GLU A 57 16.191 -10.359 5.294 1.00 0.00 C ATOM 911 CD GLU A 57 16.967 -9.096 5.547 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.609 -8.624 4.640 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.830 -8.541 6.612 1.00 0.00 O ATOM 0 H GLU A 57 16.380 -11.817 1.593 1.00 0.00 H new ATOM 0 HA GLU A 57 16.001 -12.943 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.412 -10.937 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.968 -10.050 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.136 -10.190 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.533 -11.141 5.972 1.00 0.00 H new ATOM 920 N SER A 58 13.667 -12.632 4.890 1.00 0.00 N ATOM 921 CA SER A 58 12.280 -12.488 5.354 1.00 0.00 C ATOM 922 C SER A 58 11.910 -11.006 5.555 1.00 0.00 C ATOM 923 O SER A 58 12.423 -10.349 6.464 1.00 0.00 O ATOM 924 CB SER A 58 12.080 -13.263 6.642 1.00 0.00 C ATOM 925 OG SER A 58 10.739 -13.270 7.049 1.00 0.00 O ATOM 0 H SER A 58 14.235 -13.257 5.463 1.00 0.00 H new ATOM 0 HA SER A 58 11.620 -12.895 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.422 -14.289 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.695 -12.824 7.428 1.00 0.00 H new ATOM 0 HG SER A 58 10.580 -14.036 7.639 1.00 0.00 H new ATOM 931 N GLU A 59 11.005 -10.485 4.720 1.00 0.00 N ATOM 932 CA GLU A 59 10.541 -9.094 4.872 1.00 0.00 C ATOM 933 C GLU A 59 9.071 -8.986 5.331 1.00 0.00 C ATOM 934 O GLU A 59 8.712 -8.065 6.073 1.00 0.00 O ATOM 935 CB GLU A 59 10.724 -8.339 3.553 1.00 0.00 C ATOM 936 CG GLU A 59 12.174 -8.165 3.125 1.00 0.00 C ATOM 937 CD GLU A 59 12.271 -7.454 1.804 1.00 0.00 C ATOM 938 OE1 GLU A 59 11.250 -7.133 1.246 1.00 0.00 O ATOM 939 OE2 GLU A 59 13.366 -7.132 1.405 1.00 0.00 O ATOM 0 H GLU A 59 10.582 -10.992 3.943 1.00 0.00 H new ATOM 0 HA GLU A 59 11.150 -8.646 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.187 -8.870 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.264 -7.355 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.715 -7.601 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.654 -9.141 3.051 1.00 0.00 H new ATOM 946 N VAL A 60 8.226 -9.930 4.915 1.00 0.00 N ATOM 947 CA VAL A 60 6.786 -9.872 5.226 1.00 0.00 C ATOM 948 C VAL A 60 6.295 -11.131 5.986 1.00 0.00 C ATOM 949 O VAL A 60 5.097 -11.315 6.217 1.00 0.00 O ATOM 950 CB VAL A 60 5.948 -9.703 3.945 1.00 0.00 C ATOM 951 CG1 VAL A 60 6.264 -8.375 3.274 1.00 0.00 C ATOM 952 CG2 VAL A 60 6.204 -10.856 2.986 1.00 0.00 C ATOM 0 H VAL A 60 8.506 -10.742 4.365 1.00 0.00 H new ATOM 0 HA VAL A 60 6.650 -9.005 5.872 1.00 0.00 H new ATOM 0 HB VAL A 60 4.893 -9.709 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.663 -8.272 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.034 -7.558 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.322 -8.342 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.604 -10.721 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.260 -10.879 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.931 -11.796 3.466 1.00 0.00 H new ATOM 962 N GLN A 61 7.251 -11.981 6.383 1.00 0.00 N ATOM 963 CA GLN A 61 6.995 -13.200 7.184 1.00 0.00 C ATOM 964 C GLN A 61 6.050 -14.209 6.498 1.00 0.00 C ATOM 965 O GLN A 61 5.103 -14.705 7.115 1.00 0.00 O ATOM 966 CB GLN A 61 6.408 -12.813 8.545 1.00 0.00 C ATOM 967 CG GLN A 61 7.347 -11.998 9.419 1.00 0.00 C ATOM 968 CD GLN A 61 8.508 -12.820 9.945 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.317 -13.903 10.505 1.00 0.00 O ATOM 970 NE2 GLN A 61 9.721 -12.308 9.772 1.00 0.00 N ATOM 0 H GLN A 61 8.237 -11.846 6.158 1.00 0.00 H new ATOM 0 HA GLN A 61 7.960 -13.695 7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.493 -12.243 8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.129 -13.721 9.079 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.733 -11.155 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.789 -11.584 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.833 -11.409 9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.541 -12.814 10.108 1.00 0.00 H new ATOM 979 N CYS A 62 6.331 -14.548 5.239 1.00 0.00 N ATOM 980 CA CYS A 62 5.612 -15.640 4.563 1.00 0.00 C ATOM 981 C CYS A 62 5.852 -16.983 5.262 1.00 0.00 C ATOM 982 O CYS A 62 5.023 -17.889 5.179 1.00 0.00 O ATOM 983 CB CYS A 62 6.236 -15.642 3.168 1.00 0.00 C ATOM 984 SG CYS A 62 5.857 -14.179 2.175 1.00 0.00 S ATOM 0 H CYS A 62 7.042 -14.091 4.668 1.00 0.00 H new ATOM 0 HA CYS A 62 4.531 -15.501 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.318 -15.727 3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.894 -16.528 2.632 1.00 0.00 H new ATOM 0 HG CYS A 62 4.677 -14.309 1.644 1.00 0.00 H new ATOM 990 N GLU A 63 6.979 -17.102 5.975 1.00 0.00 N ATOM 991 CA GLU A 63 7.271 -18.317 6.756 1.00 0.00 C ATOM 992 C GLU A 63 6.124 -18.650 7.735 1.00 0.00 C ATOM 993 O GLU A 63 5.966 -19.794 8.170 1.00 0.00 O ATOM 994 CB GLU A 63 8.586 -18.153 7.522 1.00 0.00 C ATOM 995 CG GLU A 63 8.586 -17.017 8.534 1.00 0.00 C ATOM 996 CD GLU A 63 9.981 -16.693 8.992 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.640 -17.570 9.496 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.430 -15.600 8.736 1.00 0.00 O ATOM 0 H GLU A 63 7.699 -16.381 6.029 1.00 0.00 H new ATOM 0 HA GLU A 63 7.366 -19.147 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.809 -19.085 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.391 -17.986 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.132 -16.131 8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.974 -17.292 9.393 1.00 0.00 H new ATOM 1005 N LEU A 64 5.342 -17.638 8.088 1.00 0.00 N ATOM 1006 CA LEU A 64 4.190 -17.795 8.976 1.00 0.00 C ATOM 1007 C LEU A 64 2.936 -17.246 8.278 1.00 0.00 C ATOM 1008 O LEU A 64 2.109 -18.008 7.778 1.00 0.00 O ATOM 1009 CB LEU A 64 4.434 -17.080 10.311 1.00 0.00 C ATOM 1010 CG LEU A 64 3.283 -17.173 11.321 1.00 0.00 C ATOM 1011 CD1 LEU A 64 3.057 -18.625 11.723 1.00 0.00 C ATOM 1012 CD2 LEU A 64 3.605 -16.321 12.539 1.00 0.00 C ATOM 0 H LEU A 64 5.487 -16.681 7.767 1.00 0.00 H new ATOM 0 HA LEU A 64 4.042 -18.853 9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.332 -17.495 10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.636 -16.028 10.110 1.00 0.00 H new ATOM 0 HG LEU A 64 2.367 -16.799 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.238 -18.681 12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.806 -19.212 10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.965 -19.022 12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.787 -16.388 13.256 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.524 -16.681 13.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.736 -15.283 12.233 1.00 0.00 H new ATOM 1024 N ILE A 65 2.825 -15.913 8.250 1.00 0.00 N ATOM 1025 CA ILE A 65 1.678 -15.211 7.654 1.00 0.00 C ATOM 1026 C ILE A 65 2.042 -13.749 7.327 1.00 0.00 C ATOM 1027 O ILE A 65 2.766 -13.088 8.075 1.00 0.00 O ATOM 1028 CB ILE A 65 0.453 -15.234 8.587 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.782 -14.693 7.861 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.729 -14.428 9.847 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.087 -15.020 8.550 1.00 0.00 C ATOM 0 H ILE A 65 3.529 -15.287 8.641 1.00 0.00 H new ATOM 0 HA ILE A 65 1.424 -15.737 6.733 1.00 0.00 H new ATOM 0 HB ILE A 65 0.257 -16.267 8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.692 -13.611 7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.804 -15.099 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.147 -14.455 10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.583 -14.856 10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.949 -13.395 9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.915 -14.604 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.201 -16.102 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.087 -14.590 9.552 1.00 0.00 H new ATOM 1043 N THR A 66 1.539 -13.245 6.199 1.00 0.00 N ATOM 1044 CA THR A 66 1.912 -11.904 5.705 1.00 0.00 C ATOM 1045 C THR A 66 0.806 -10.864 5.985 1.00 0.00 C ATOM 1046 O THR A 66 1.064 -9.664 6.069 1.00 0.00 O ATOM 1047 CB THR A 66 2.209 -11.925 4.194 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.019 -12.277 3.476 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.303 -12.934 3.879 1.00 0.00 C ATOM 0 H THR A 66 0.872 -13.739 5.606 1.00 0.00 H new ATOM 0 HA THR A 66 2.814 -11.616 6.246 1.00 0.00 H new ATOM 0 HB THR A 66 2.545 -10.933 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.098 -13.195 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.499 -12.935 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.213 -12.663 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.982 -13.928 4.190 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.429 -11.336 6.140 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.596 -10.465 6.036 1.00 0.00 C ATOM 1059 C GLY A 67 -2.125 -10.294 4.611 1.00 0.00 C ATOM 1060 O GLY A 67 -3.267 -9.871 4.413 1.00 0.00 O ATOM 0 H GLY A 67 -0.646 -12.313 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.393 -10.867 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.340 -9.484 6.437 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.298 -10.635 3.622 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.738 -10.717 2.223 1.00 0.00 C ATOM 1066 C GLU A 68 -2.189 -12.130 1.805 1.00 0.00 C ATOM 1067 O GLU A 68 -2.882 -12.290 0.801 1.00 0.00 O ATOM 1068 CB GLU A 68 -0.616 -10.242 1.298 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.235 -8.778 1.474 1.00 0.00 C ATOM 1070 CD GLU A 68 0.961 -8.422 0.636 1.00 0.00 C ATOM 1071 OE1 GLU A 68 1.489 -9.292 -0.014 1.00 0.00 O ATOM 1072 OE2 GLU A 68 1.280 -7.259 0.557 1.00 0.00 O ATOM 0 H GLU A 68 -0.313 -10.861 3.762 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.610 -10.069 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.266 -10.858 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.921 -10.404 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.078 -8.145 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.019 -8.580 2.524 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.784 -13.147 2.564 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.209 -14.532 2.298 1.00 0.00 C ATOM 1081 C PHE A 69 -3.499 -14.913 3.052 1.00 0.00 C ATOM 1082 O PHE A 69 -3.699 -16.076 3.410 1.00 0.00 O ATOM 1083 CB PHE A 69 -1.086 -15.504 2.668 1.00 0.00 C ATOM 1084 CG PHE A 69 0.160 -15.333 1.847 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.103 -14.755 0.587 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.391 -15.748 2.331 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.249 -14.597 -0.169 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.538 -15.591 1.578 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.466 -15.014 0.325 1.00 0.00 C ATOM 0 H PHE A 69 -1.164 -13.045 3.367 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.426 -14.600 1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.837 -15.372 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.449 -16.525 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.847 -14.425 0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.454 -16.200 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.191 -14.146 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.490 -15.919 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.361 -14.890 -0.266 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.362 -13.927 3.294 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.567 -14.115 4.113 1.00 0.00 C ATOM 1101 C ASP A 70 -6.623 -14.972 3.367 1.00 0.00 C ATOM 1102 O ASP A 70 -7.155 -14.554 2.336 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.160 -12.759 4.502 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.393 -12.844 5.392 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.878 -13.931 5.600 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.746 -11.851 5.981 1.00 0.00 O ATOM 0 H ASP A 70 -4.250 -12.980 2.932 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.280 -14.648 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.396 -12.176 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.419 -12.215 3.594 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.947 -16.180 3.887 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.998 -17.061 3.313 1.00 0.00 C ATOM 1113 C PRO A 71 -9.384 -16.400 3.109 1.00 0.00 C ATOM 1114 O PRO A 71 -10.156 -16.841 2.252 1.00 0.00 O ATOM 1115 CB PRO A 71 -8.076 -18.208 4.324 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.727 -18.238 4.957 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.308 -16.796 5.074 1.00 0.00 C ATOM 0 HA PRO A 71 -7.733 -17.360 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.858 -18.033 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.306 -19.154 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.763 -18.717 5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.021 -18.804 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.658 -16.346 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.224 -16.685 5.055 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.711 -15.362 3.879 1.00 0.00 N ATOM 1126 CA LYS A 72 -11.015 -14.689 3.746 1.00 0.00 C ATOM 1127 C LYS A 72 -11.088 -13.875 2.438 1.00 0.00 C ATOM 1128 O LYS A 72 -12.166 -13.684 1.874 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.273 -13.780 4.950 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.516 -14.522 6.258 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.762 -13.555 7.405 1.00 0.00 C ATOM 1132 CE LYS A 72 -12.007 -14.295 8.712 1.00 0.00 C ATOM 1133 NZ LYS A 72 -12.221 -13.360 9.849 1.00 0.00 N ATOM 0 H LYS A 72 -9.102 -14.968 4.596 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.788 -15.457 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.419 -13.115 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.138 -13.152 4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.374 -15.185 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.655 -15.150 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.903 -12.893 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.622 -12.926 7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.878 -14.941 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.156 -14.940 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.384 -13.904 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.380 -12.760 9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.049 -12.761 9.655 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.940 -13.388 1.967 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.890 -12.543 0.764 1.00 0.00 C ATOM 1149 C LEU A 73 -9.355 -13.315 -0.457 1.00 0.00 C ATOM 1150 O LEU A 73 -9.605 -12.928 -1.598 1.00 0.00 O ATOM 1151 CB LEU A 73 -9.026 -11.304 1.027 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.504 -10.408 2.177 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.522 -9.263 2.389 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.894 -9.875 1.863 1.00 0.00 C ATOM 0 H LEU A 73 -9.031 -13.561 2.396 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.909 -12.232 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.008 -11.629 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.986 -10.708 0.115 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.552 -10.991 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.870 -8.632 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.540 -9.667 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.453 -8.669 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.233 -9.239 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.861 -9.295 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.585 -10.709 1.742 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.618 -14.396 -0.216 1.00 0.00 N ATOM 1167 CA LEU A 74 -8.014 -15.179 -1.303 1.00 0.00 C ATOM 1168 C LEU A 74 -8.889 -16.407 -1.632 1.00 0.00 C ATOM 1169 O LEU A 74 -8.977 -17.343 -0.834 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.594 -15.612 -0.922 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.693 -16.002 -2.102 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -4.242 -16.078 -1.646 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -6.149 -17.337 -2.672 1.00 0.00 C ATOM 0 H LEU A 74 -8.422 -14.754 0.719 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.955 -14.553 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.118 -14.799 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.660 -16.460 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.767 -15.245 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.610 -16.355 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.930 -15.107 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.147 -16.827 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.509 -17.613 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.086 -18.103 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.180 -17.253 -3.016 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.549 -16.416 -2.810 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.352 -17.566 -3.270 1.00 0.00 C ATOM 1187 C PRO A 75 -9.496 -18.759 -3.726 1.00 0.00 C ATOM 1188 O PRO A 75 -8.445 -18.591 -4.347 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.141 -16.986 -4.449 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.262 -15.911 -4.993 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.570 -15.305 -3.799 1.00 0.00 C ATOM 0 HA PRO A 75 -10.973 -17.970 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.349 -17.747 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.102 -16.587 -4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.539 -16.317 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.845 -15.162 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.563 -14.969 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.111 -14.439 -3.418 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.949 -19.976 -3.424 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.116 -21.163 -3.625 1.00 0.00 C ATOM 1201 C TYR A 76 -9.664 -22.096 -4.718 1.00 0.00 C ATOM 1202 O TYR A 76 -10.591 -22.874 -4.496 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.978 -21.933 -2.309 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.218 -21.183 -1.237 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.834 -21.095 -1.276 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.886 -20.568 -0.189 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -6.135 -20.412 -0.300 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -8.198 -19.881 0.793 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.820 -19.806 0.733 1.00 0.00 C ATOM 1210 OH TYR A 76 -6.129 -19.126 1.709 1.00 0.00 O ATOM 0 H TYR A 76 -10.876 -20.166 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.139 -20.814 -3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.973 -22.174 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.473 -22.879 -2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.294 -21.568 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.963 -20.627 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.058 -20.353 -0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.734 -19.406 1.602 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.306 -18.755 1.329 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.092 -21.986 -5.914 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.380 -22.920 -7.007 1.00 0.00 C ATOM 1222 C ASP A 77 -8.434 -24.128 -6.899 1.00 0.00 C ATOM 1223 O ASP A 77 -7.486 -24.094 -6.122 1.00 0.00 O ATOM 1224 CB ASP A 77 -9.230 -22.236 -8.369 1.00 0.00 C ATOM 1225 CG ASP A 77 -10.010 -22.899 -9.496 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.572 -23.944 -9.268 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -10.167 -22.285 -10.524 1.00 0.00 O ATOM 0 H ASP A 77 -8.422 -21.256 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.413 -23.259 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.556 -21.200 -8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.174 -22.216 -8.637 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.673 -25.180 -7.681 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.917 -26.434 -7.538 1.00 0.00 C ATOM 1234 C LYS A 78 -6.398 -26.205 -7.713 1.00 0.00 C ATOM 1235 O LYS A 78 -5.615 -26.345 -6.763 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.412 -27.470 -8.550 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.717 -28.822 -8.458 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.300 -29.813 -9.455 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.584 -31.153 -9.387 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.149 -32.135 -10.351 1.00 0.00 N ATOM 0 H LYS A 78 -9.379 -25.194 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.085 -26.809 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.483 -27.615 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.275 -27.072 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.651 -28.698 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.819 -29.217 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.361 -29.955 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.220 -29.407 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.524 -31.009 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.658 -31.553 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.633 -33.035 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.154 -32.293 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.055 -31.765 -11.318 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.995 -25.805 -8.920 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.574 -25.634 -9.243 1.00 0.00 C ATOM 1256 C ARG A 79 -3.999 -24.364 -8.602 1.00 0.00 C ATOM 1257 O ARG A 79 -2.858 -24.359 -8.129 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.320 -25.660 -10.742 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.518 -27.017 -11.400 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.388 -27.005 -12.879 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.575 -28.302 -13.511 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.653 -28.500 -14.842 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.598 -27.490 -15.682 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.809 -29.737 -15.280 1.00 0.00 N ATOM 0 H ARG A 79 -6.630 -25.593 -9.690 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.049 -26.488 -8.815 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.983 -24.940 -11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.299 -25.327 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.790 -27.716 -10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.506 -27.394 -11.137 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.117 -26.306 -13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.400 -26.626 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.652 -29.118 -12.905 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.495 -26.538 -15.329 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.659 -27.658 -16.686 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.867 -30.509 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.871 -29.919 -16.282 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.788 -23.292 -8.600 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.407 -22.036 -7.940 1.00 0.00 C ATOM 1280 C LEU A 80 -4.050 -22.269 -6.461 1.00 0.00 C ATOM 1281 O LEU A 80 -2.929 -21.985 -6.027 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.540 -21.010 -8.061 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.290 -19.674 -7.349 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.171 -18.913 -8.045 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.573 -18.857 -7.337 1.00 0.00 C ATOM 0 H LEU A 80 -5.703 -23.264 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.521 -21.646 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.718 -20.812 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.453 -21.451 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.985 -19.862 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.001 -17.966 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.258 -19.507 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.452 -18.720 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.395 -17.908 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.893 -18.668 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.351 -19.409 -6.810 1.00 0.00 H new ATOM 1297 N ALA A 81 -5.002 -22.818 -5.705 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.812 -23.061 -4.271 1.00 0.00 C ATOM 1299 C ALA A 81 -3.618 -23.976 -3.995 1.00 0.00 C ATOM 1300 O ALA A 81 -2.795 -23.670 -3.136 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.074 -23.643 -3.647 1.00 0.00 C ATOM 0 H ALA A 81 -5.914 -23.104 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.602 -22.095 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.908 -23.814 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.900 -22.944 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.318 -24.588 -4.133 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.510 -25.089 -4.734 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.437 -26.059 -4.482 1.00 0.00 C ATOM 1309 C TRP A 82 -1.051 -25.402 -4.552 1.00 0.00 C ATOM 1310 O TRP A 82 -0.318 -25.393 -3.572 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.517 -27.212 -5.483 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.335 -28.132 -5.434 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.399 -28.205 -4.446 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.962 -29.110 -6.413 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.534 -29.165 -4.747 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.209 -29.737 -5.951 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.509 -29.516 -7.636 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.844 -30.741 -6.664 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.872 -30.525 -8.350 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.271 -31.120 -7.878 1.00 0.00 C ATOM 0 H TRP A 82 -4.140 -25.337 -5.497 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.575 -26.446 -3.473 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.423 -27.787 -5.290 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.607 -26.803 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.393 -27.595 -3.555 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.338 -29.413 -4.170 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.408 -29.055 -8.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.744 -31.210 -6.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.285 -30.847 -9.295 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.738 -31.900 -8.460 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.715 -24.829 -5.704 1.00 0.00 N ATOM 1332 CA HIS A 83 0.658 -24.373 -5.961 1.00 0.00 C ATOM 1333 C HIS A 83 0.972 -23.059 -5.238 1.00 0.00 C ATOM 1334 O HIS A 83 2.035 -22.915 -4.642 1.00 0.00 O ATOM 1335 CB HIS A 83 0.893 -24.204 -7.466 1.00 0.00 C ATOM 1336 CG HIS A 83 0.812 -25.487 -8.235 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.332 -25.885 -8.897 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.728 -26.459 -8.447 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.112 -27.049 -9.484 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.129 -27.419 -9.226 1.00 0.00 N ATOM 0 H HIS A 83 -1.365 -24.668 -6.473 1.00 0.00 H new ATOM 0 HA HIS A 83 1.329 -25.138 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.157 -23.505 -7.864 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.875 -23.757 -7.624 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.208 -25.364 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.741 -26.477 -8.074 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.826 -27.603 -10.075 1.00 0.00 H new ATOM 1345 N PHE A 84 0.042 -22.110 -5.268 1.00 0.00 N ATOM 1346 CA PHE A 84 0.268 -20.804 -4.637 1.00 0.00 C ATOM 1347 C PHE A 84 0.372 -20.909 -3.097 1.00 0.00 C ATOM 1348 O PHE A 84 1.285 -20.348 -2.489 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.838 -19.823 -5.050 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.685 -19.294 -6.464 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.627 -20.159 -7.553 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.607 -17.926 -6.702 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.494 -19.672 -8.839 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.472 -17.438 -7.989 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.417 -18.311 -9.057 1.00 0.00 C ATOM 0 H PHE A 84 -0.868 -22.214 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 84 1.227 -20.425 -4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.804 -20.319 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.845 -18.983 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.687 -21.225 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.652 -17.237 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.450 -20.356 -9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.410 -16.373 -8.159 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.314 -17.930 -10.062 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.552 -21.638 -2.466 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.544 -21.790 -1.001 1.00 0.00 C ATOM 1367 C LYS A 85 0.665 -22.622 -0.521 1.00 0.00 C ATOM 1368 O LYS A 85 1.374 -22.225 0.404 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.846 -22.438 -0.527 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.977 -22.552 0.986 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.316 -23.156 1.382 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.430 -23.313 2.891 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.700 -23.979 3.287 1.00 0.00 N ATOM 0 H LYS A 85 -1.311 -22.130 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.459 -20.794 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.686 -21.859 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.921 -23.435 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.168 -23.168 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.873 -21.565 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.125 -22.522 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.434 -24.128 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.585 -23.895 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.372 -22.332 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.738 -24.066 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.507 -23.412 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.744 -24.925 2.858 1.00 0.00 H new ATOM 1387 N GLU A 86 0.893 -23.764 -1.162 1.00 0.00 N ATOM 1388 CA GLU A 86 1.926 -24.723 -0.736 1.00 0.00 C ATOM 1389 C GLU A 86 3.343 -24.139 -0.876 1.00 0.00 C ATOM 1390 O GLU A 86 4.237 -24.461 -0.096 1.00 0.00 O ATOM 1391 CB GLU A 86 1.813 -26.017 -1.544 1.00 0.00 C ATOM 1392 CG GLU A 86 0.596 -26.866 -1.204 1.00 0.00 C ATOM 1393 CD GLU A 86 0.625 -27.313 0.230 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.602 -27.899 0.631 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.279 -26.973 0.956 1.00 0.00 O ATOM 0 H GLU A 86 0.373 -24.057 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 86 1.757 -24.938 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.782 -25.767 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.712 -26.612 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.313 -26.294 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.564 -27.737 -1.858 1.00 0.00 H new ATOM 1402 N PHE A 87 3.534 -23.276 -1.867 1.00 0.00 N ATOM 1403 CA PHE A 87 4.831 -22.628 -2.097 1.00 0.00 C ATOM 1404 C PHE A 87 5.054 -21.443 -1.141 1.00 0.00 C ATOM 1405 O PHE A 87 6.121 -21.310 -0.543 1.00 0.00 O ATOM 1406 CB PHE A 87 4.915 -22.150 -3.554 1.00 0.00 C ATOM 1407 CG PHE A 87 6.296 -21.739 -4.007 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.249 -22.698 -4.318 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.634 -20.400 -4.141 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.510 -22.331 -4.749 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.893 -20.030 -4.575 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.830 -20.995 -4.877 1.00 0.00 C ATOM 0 H PHE A 87 2.807 -23.004 -2.529 1.00 0.00 H new ATOM 0 HA PHE A 87 5.614 -23.361 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.557 -22.948 -4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.239 -21.305 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.002 -23.745 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.906 -19.639 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.243 -23.088 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.143 -18.984 -4.678 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.814 -20.705 -5.214 1.00 0.00 H new ATOM 1422 N CYS A 88 4.040 -20.584 -0.999 1.00 0.00 N ATOM 1423 CA CYS A 88 4.190 -19.320 -0.256 1.00 0.00 C ATOM 1424 C CYS A 88 3.722 -19.420 1.208 1.00 0.00 C ATOM 1425 O CYS A 88 4.459 -19.072 2.128 1.00 0.00 O ATOM 1426 CB CYS A 88 3.281 -18.373 -1.039 1.00 0.00 C ATOM 1427 SG CYS A 88 3.777 -18.107 -2.758 1.00 0.00 S ATOM 0 H CYS A 88 3.108 -20.736 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 88 5.231 -19.005 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.266 -18.769 -1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.255 -17.410 -0.529 1.00 0.00 H new ATOM 0 HG CYS A 88 2.835 -17.469 -3.388 1.00 0.00 H new ATOM 1433 N TYR A 89 2.497 -19.905 1.422 1.00 0.00 N ATOM 1434 CA TYR A 89 1.872 -19.878 2.759 1.00 0.00 C ATOM 1435 C TYR A 89 2.308 -21.072 3.633 1.00 0.00 C ATOM 1436 O TYR A 89 2.449 -20.955 4.852 1.00 0.00 O ATOM 1437 CB TYR A 89 0.347 -19.860 2.629 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.380 -19.724 3.948 1.00 0.00 C ATOM 1439 CD1 TYR A 89 -0.425 -18.509 4.615 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.020 -20.812 4.522 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -1.086 -18.379 5.821 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.686 -20.694 5.727 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.718 -19.475 6.374 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.379 -19.352 7.573 1.00 0.00 O ATOM 0 H TYR A 89 1.915 -20.321 0.695 1.00 0.00 H new ATOM 0 HA TYR A 89 2.211 -18.968 3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.058 -19.034 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.023 -20.779 2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.066 -17.649 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.998 -21.767 4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.108 -17.426 6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.179 -21.551 6.161 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.770 -20.216 7.821 1.00 0.00 H new ATOM 1454 N LYS A 90 2.542 -22.220 3.007 1.00 0.00 N ATOM 1455 CA LYS A 90 3.008 -23.406 3.731 1.00 0.00 C ATOM 1456 C LYS A 90 4.076 -23.053 4.778 1.00 0.00 C ATOM 1457 O LYS A 90 5.182 -22.641 4.447 1.00 0.00 O ATOM 1458 CB LYS A 90 3.558 -24.445 2.752 1.00 0.00 C ATOM 1459 CG LYS A 90 4.072 -25.718 3.408 1.00 0.00 C ATOM 1460 CD LYS A 90 4.360 -26.797 2.373 1.00 0.00 C ATOM 1461 CE LYS A 90 5.108 -27.970 2.988 1.00 0.00 C ATOM 1462 NZ LYS A 90 5.087 -29.167 2.106 1.00 0.00 N ATOM 0 H LYS A 90 2.419 -22.359 2.004 1.00 0.00 H new ATOM 0 HA LYS A 90 2.151 -23.825 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.774 -24.708 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.368 -23.993 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.980 -25.499 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.335 -26.084 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.423 -27.148 1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.949 -26.375 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.141 -27.680 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.661 -28.221 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.768 -29.870 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.133 -29.580 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.346 -28.889 1.138 1.00 0.00 H new ATOM 1476 N THR A 91 3.737 -23.217 6.054 1.00 0.00 N ATOM 1477 CA THR A 91 4.673 -22.902 7.145 1.00 0.00 C ATOM 1478 C THR A 91 5.561 -24.102 7.523 1.00 0.00 C ATOM 1479 O THR A 91 6.578 -23.951 8.204 1.00 0.00 O ATOM 1480 CB THR A 91 3.920 -22.427 8.402 1.00 0.00 C ATOM 1481 OG1 THR A 91 3.123 -23.500 8.919 1.00 0.00 O ATOM 1482 CG2 THR A 91 3.021 -21.246 8.070 1.00 0.00 C ATOM 0 H THR A 91 2.829 -23.563 6.363 1.00 0.00 H new ATOM 0 HA THR A 91 5.313 -22.103 6.771 1.00 0.00 H new ATOM 0 HB THR A 91 4.650 -22.116 9.149 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.646 -23.197 9.720 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.497 -20.924 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.626 -20.424 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.295 -21.543 7.314 1.00 0.00 H new ATOM 1490 N SER A 92 5.178 -25.291 7.069 1.00 0.00 N ATOM 1491 CA SER A 92 5.916 -26.522 7.381 1.00 0.00 C ATOM 1492 C SER A 92 7.167 -26.669 6.502 1.00 0.00 C ATOM 1493 O SER A 92 7.168 -26.285 5.328 1.00 0.00 O ATOM 1494 CB SER A 92 5.011 -27.727 7.211 1.00 0.00 C ATOM 1495 OG SER A 92 3.968 -27.737 8.146 1.00 0.00 O ATOM 0 H SER A 92 4.357 -25.434 6.480 1.00 0.00 H new ATOM 0 HA SER A 92 6.245 -26.462 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.595 -27.728 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.599 -28.639 7.314 1.00 0.00 H new ATOM 0 HG SER A 92 3.407 -28.528 8.002 1.00 0.00 H new ATOM 1501 N ALA A 93 8.233 -27.208 7.086 1.00 0.00 N ATOM 1502 CA ALA A 93 9.487 -27.461 6.366 1.00 0.00 C ATOM 1503 C ALA A 93 10.156 -28.743 6.883 1.00 0.00 C ATOM 1504 O ALA A 93 11.145 -28.694 7.616 1.00 0.00 O ATOM 1505 CB ALA A 93 10.428 -26.266 6.495 1.00 0.00 C ATOM 0 H ALA A 93 8.257 -27.483 8.068 1.00 0.00 H new ATOM 0 HA ALA A 93 9.258 -27.601 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.353 -26.471 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.951 -25.380 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.653 -26.092 7.547 1.00 0.00 H new ATOM 1511 N HIS A 94 9.601 -29.888 6.500 1.00 0.00 N ATOM 1512 CA HIS A 94 10.022 -31.194 7.028 1.00 0.00 C ATOM 1513 C HIS A 94 10.644 -32.068 5.914 1.00 0.00 C ATOM 1514 O HIS A 94 11.188 -31.542 4.947 1.00 0.00 O ATOM 1515 CB HIS A 94 8.837 -31.924 7.670 1.00 0.00 C ATOM 1516 CG HIS A 94 8.172 -31.145 8.762 1.00 0.00 C ATOM 1517 ND1 HIS A 94 8.795 -30.865 9.961 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.940 -30.589 8.839 1.00 0.00 C ATOM 1519 CE1 HIS A 94 7.973 -30.167 10.726 1.00 0.00 C ATOM 1520 NE2 HIS A 94 6.843 -29.988 10.069 1.00 0.00 N ATOM 0 H HIS A 94 8.847 -29.944 5.816 1.00 0.00 H new ATOM 0 HA HIS A 94 10.781 -31.017 7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.101 -32.153 6.899 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.183 -32.876 8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.177 -30.614 8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.190 -29.805 11.720 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.028 -29.484 10.419 1.00 0.00 H new ATOM 1525 N GLY A 95 10.601 -33.398 6.081 1.00 0.00 N ATOM 1526 CA GLY A 95 11.003 -34.324 5.016 1.00 0.00 C ATOM 1527 C GLY A 95 10.236 -34.129 3.705 1.00 0.00 C ATOM 1528 O GLY A 95 10.740 -34.476 2.638 1.00 0.00 O ATOM 0 H GLY A 95 10.293 -33.853 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.069 -34.201 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.857 -35.347 5.363 1.00 0.00 H new ATOM 1532 N ILE A 96 9.017 -33.586 3.787 1.00 0.00 N ATOM 1533 CA ILE A 96 8.291 -33.100 2.599 1.00 0.00 C ATOM 1534 C ILE A 96 8.014 -31.577 2.678 1.00 0.00 C ATOM 1535 O ILE A 96 6.940 -31.148 3.101 1.00 0.00 O ATOM 1536 CB ILE A 96 6.956 -33.846 2.417 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.195 -35.355 2.332 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.233 -33.346 1.175 1.00 0.00 C ATOM 1539 CD1 ILE A 96 5.924 -36.171 2.254 1.00 0.00 C ATOM 0 H ILE A 96 8.508 -33.470 4.663 1.00 0.00 H new ATOM 0 HA ILE A 96 8.934 -33.296 1.741 1.00 0.00 H new ATOM 0 HB ILE A 96 6.326 -33.647 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.807 -35.568 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.767 -35.673 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.292 -33.883 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.032 -32.279 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.857 -33.517 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.175 -37.230 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.320 -35.989 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.360 -35.883 1.367 1.00 0.00 H new ATOM 1551 N PRO A 97 9.003 -30.732 2.313 1.00 0.00 N ATOM 1552 CA PRO A 97 8.897 -29.278 2.465 1.00 0.00 C ATOM 1553 C PRO A 97 8.377 -28.551 1.205 1.00 0.00 C ATOM 1554 O PRO A 97 8.087 -27.358 1.250 1.00 0.00 O ATOM 1555 CB PRO A 97 10.351 -28.902 2.741 1.00 0.00 C ATOM 1556 CG PRO A 97 11.156 -29.863 1.915 1.00 0.00 C ATOM 1557 CD PRO A 97 10.376 -31.166 1.863 1.00 0.00 C ATOM 0 HA PRO A 97 8.180 -28.991 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.554 -27.869 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.590 -28.994 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.316 -29.469 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.140 -30.020 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.360 -31.592 0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.801 -31.922 2.523 1.00 0.00 H new ATOM 1565 N MET A 98 8.266 -29.277 0.088 1.00 0.00 N ATOM 1566 CA MET A 98 7.970 -28.672 -1.219 1.00 0.00 C ATOM 1567 C MET A 98 6.460 -28.640 -1.518 1.00 0.00 C ATOM 1568 O MET A 98 5.638 -28.996 -0.675 1.00 0.00 O ATOM 1569 CB MET A 98 8.707 -29.433 -2.320 1.00 0.00 C ATOM 1570 CG MET A 98 10.223 -29.316 -2.262 1.00 0.00 C ATOM 1571 SD MET A 98 11.021 -29.840 -3.792 1.00 0.00 S ATOM 1572 CE MET A 98 10.780 -31.613 -3.708 1.00 0.00 C ATOM 0 H MET A 98 8.377 -30.291 0.061 1.00 0.00 H new ATOM 0 HA MET A 98 8.315 -27.639 -1.189 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.434 -30.487 -2.261 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.364 -29.069 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.496 -28.282 -2.051 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.599 -29.920 -1.436 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.236 -32.084 -4.579 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.244 -32.001 -2.801 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.713 -31.835 -3.693 1.00 0.00 H new ATOM 1582 N ILE A 99 6.113 -28.218 -2.736 1.00 0.00 N ATOM 1583 CA ILE A 99 4.708 -28.043 -3.144 1.00 0.00 C ATOM 1584 C ILE A 99 3.923 -29.372 -3.115 1.00 0.00 C ATOM 1585 O ILE A 99 2.713 -29.383 -2.884 1.00 0.00 O ATOM 1586 CB ILE A 99 4.610 -27.435 -4.556 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.087 -25.981 -4.545 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.184 -27.527 -5.076 1.00 0.00 C ATOM 1589 CD1 ILE A 99 5.259 -25.383 -5.923 1.00 0.00 C ATOM 0 H ILE A 99 6.788 -27.988 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 99 4.263 -27.361 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 99 5.256 -28.004 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.372 -25.378 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.037 -25.924 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.132 -27.093 -6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.879 -28.573 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.517 -26.981 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.599 -24.351 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.997 -25.960 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.306 -25.406 -6.451 1.00 0.00 H new ATOM 1601 N GLY A 100 4.613 -30.491 -3.335 1.00 0.00 N ATOM 1602 CA GLY A 100 3.934 -31.784 -3.366 1.00 0.00 C ATOM 1603 C GLY A 100 4.823 -32.984 -3.026 1.00 0.00 C ATOM 1604 O GLY A 100 5.043 -33.299 -1.856 1.00 0.00 O ATOM 0 H GLY A 100 5.620 -30.529 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.100 -31.757 -2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.511 -31.933 -4.359 1.00 0.00 H new ATOM 1608 N GLU A 101 5.363 -33.629 -4.058 1.00 0.00 N ATOM 1609 CA GLU A 101 6.162 -34.851 -3.889 1.00 0.00 C ATOM 1610 C GLU A 101 7.649 -34.584 -3.610 1.00 0.00 C ATOM 1611 O GLU A 101 8.416 -34.248 -4.513 1.00 0.00 O ATOM 1612 CB GLU A 101 6.027 -35.733 -5.133 1.00 0.00 C ATOM 1613 CG GLU A 101 6.736 -37.075 -5.030 1.00 0.00 C ATOM 1614 CD GLU A 101 6.596 -37.866 -6.302 1.00 0.00 C ATOM 1615 OE1 GLU A 101 5.963 -37.385 -7.210 1.00 0.00 O ATOM 1616 OE2 GLU A 101 7.215 -38.899 -6.407 1.00 0.00 O ATOM 0 H GLU A 101 5.263 -33.327 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 101 5.765 -35.357 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.969 -35.909 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.422 -35.192 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.792 -36.915 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.322 -37.644 -4.198 1.00 0.00 H new ATOM 1623 N ALA A 102 8.042 -34.732 -2.350 1.00 0.00 N ATOM 1624 CA ALA A 102 9.418 -34.462 -1.927 1.00 0.00 C ATOM 1625 C ALA A 102 10.011 -35.695 -1.219 1.00 0.00 C ATOM 1626 O ALA A 102 9.714 -35.962 -0.056 1.00 0.00 O ATOM 1627 CB ALA A 102 9.464 -33.237 -1.024 1.00 0.00 C ATOM 0 H ALA A 102 7.426 -35.039 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 102 10.024 -34.254 -2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.493 -33.049 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.083 -32.371 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.849 -33.412 -0.141 1.00 0.00 H new ATOM 1633 N PRO A 103 10.849 -36.480 -1.927 1.00 0.00 N ATOM 1634 CA PRO A 103 11.524 -37.665 -1.351 1.00 0.00 C ATOM 1635 C PRO A 103 12.676 -37.311 -0.389 1.00 0.00 C ATOM 1636 O PRO A 103 13.844 -37.551 -0.698 1.00 0.00 O ATOM 1637 CB PRO A 103 12.032 -38.422 -2.582 1.00 0.00 C ATOM 1638 CG PRO A 103 12.313 -37.356 -3.585 1.00 0.00 C ATOM 1639 CD PRO A 103 11.235 -36.325 -3.386 1.00 0.00 C ATOM 0 HA PRO A 103 10.845 -38.249 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.929 -38.997 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.287 -39.127 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.302 -36.924 -3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.292 -37.755 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.599 -35.320 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.385 -36.502 -4.045 1.00 0.00 H new ATOM 1647 N LEU A 104 12.342 -36.732 0.771 1.00 0.00 N ATOM 1648 CA LEU A 104 13.349 -36.297 1.760 1.00 0.00 C ATOM 1649 C LEU A 104 14.379 -35.334 1.117 1.00 0.00 C ATOM 1650 O LEU A 104 15.572 -35.366 1.428 1.00 0.00 O ATOM 1651 CB LEU A 104 14.056 -37.516 2.366 1.00 0.00 C ATOM 1652 CG LEU A 104 13.134 -38.531 3.052 1.00 0.00 C ATOM 1653 CD1 LEU A 104 13.948 -39.718 3.554 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.401 -37.856 4.201 1.00 0.00 C ATOM 0 H LEU A 104 11.379 -36.551 1.053 1.00 0.00 H new ATOM 0 HA LEU A 104 12.837 -35.757 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.607 -38.026 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.790 -37.167 3.092 1.00 0.00 H new ATOM 0 HG LEU A 104 12.400 -38.899 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.285 -40.434 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.447 -40.199 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.694 -39.371 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.746 -38.578 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.125 -37.478 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.806 -37.028 3.816 1.00 0.00 H new ATOM 1666 N GLU A 105 13.893 -34.450 0.249 1.00 0.00 N ATOM 1667 CA GLU A 105 14.735 -33.438 -0.391 1.00 0.00 C ATOM 1668 C GLU A 105 15.058 -32.282 0.569 1.00 0.00 C ATOM 1669 O GLU A 105 14.324 -31.294 0.654 1.00 0.00 O ATOM 1670 CB GLU A 105 14.054 -32.901 -1.651 1.00 0.00 C ATOM 1671 CG GLU A 105 13.922 -33.917 -2.777 1.00 0.00 C ATOM 1672 CD GLU A 105 15.245 -34.168 -3.444 1.00 0.00 C ATOM 1673 OE1 GLU A 105 16.203 -33.530 -3.080 1.00 0.00 O ATOM 1674 OE2 GLU A 105 15.324 -35.074 -4.240 1.00 0.00 O ATOM 0 H GLU A 105 12.913 -34.413 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 105 15.675 -33.916 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.060 -32.540 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.618 -32.043 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.529 -34.853 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.204 -33.556 -3.513 1.00 0.00 H new ATOM 1681 N HIS A 106 16.156 -32.418 1.304 1.00 0.00 N ATOM 1682 CA HIS A 106 16.544 -31.419 2.296 1.00 0.00 C ATOM 1683 C HIS A 106 17.498 -30.391 1.671 1.00 0.00 C ATOM 1684 O HIS A 106 18.715 -30.483 1.834 1.00 0.00 O ATOM 1685 CB HIS A 106 17.199 -32.084 3.512 1.00 0.00 C ATOM 1686 CG HIS A 106 16.281 -32.993 4.268 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.201 -32.527 4.989 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.281 -34.339 4.416 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.576 -33.549 5.547 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.211 -34.658 5.216 1.00 0.00 N ATOM 0 H HIS A 106 16.794 -33.210 1.232 1.00 0.00 H new ATOM 0 HA HIS A 106 15.644 -30.904 2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.067 -32.653 3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.565 -31.309 4.186 1.00 0.00 H new ATOM 0 HD1 HIS A 106 14.928 -31.548 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.989 -35.032 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 106 13.695 -33.487 6.169 1.00 0.00 H new ATOM 1695 N HIS A 107 16.938 -29.430 0.937 1.00 0.00 N ATOM 1696 CA HIS A 107 17.733 -28.341 0.349 1.00 0.00 C ATOM 1697 C HIS A 107 18.384 -27.468 1.434 1.00 0.00 C ATOM 1698 O HIS A 107 17.880 -27.382 2.556 1.00 0.00 O ATOM 1699 CB HIS A 107 16.863 -27.474 -0.567 1.00 0.00 C ATOM 1700 CG HIS A 107 16.360 -28.195 -1.778 1.00 0.00 C ATOM 1701 ND1 HIS A 107 15.233 -28.990 -1.756 1.00 0.00 N ATOM 1702 CD2 HIS A 107 16.830 -28.243 -3.047 1.00 0.00 C ATOM 1703 CE1 HIS A 107 15.031 -29.495 -2.961 1.00 0.00 C ATOM 1704 NE2 HIS A 107 15.985 -29.058 -3.761 1.00 0.00 N ATOM 0 H HIS A 107 15.940 -29.379 0.733 1.00 0.00 H new ATOM 0 HA HIS A 107 18.528 -28.798 -0.240 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.012 -27.100 0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.439 -26.605 -0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.705 -27.736 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 107 14.223 -30.153 -3.243 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.080 -29.288 -4.750 1.00 0.00 H new