USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -120:sc= 0.441 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.67 K(o=-1.2,f=-4) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= -1.03 USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= -0.811 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0.0264 USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 34 TYR OH : rot 150:sc= 0.00909 USER MOD Set 4.2: A 100 LYS NZ :NH3+ -133:sc= 0.0101 (180deg=0) USER MOD Set 5.1: A 29 ASN : amide:sc= 0.664 K(o=-0.62,f=-1.9) USER MOD Set 5.2: A 31 THR OG1 : rot -71:sc= 0.636 USER MOD Set 5.3: A 32 THR OG1 : rot -64:sc= -1.92! USER MOD Set 6.1: A 8 LYS NZ :NH3+ -135:sc= 0.659 (180deg=-0.307) USER MOD Set 6.2: A 10 ASN : amide:sc= -4.05! C(o=-3.4!,f=-13!) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0974 (180deg=-0.569) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -119:sc= 0.083 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0288) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.599 USER MOD Single : A 22 THR OG1 : rot 48:sc= 0.301 USER MOD Single : A 25 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-6.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 141:sc= -2.11! (180deg=-3.83) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.128 USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0638 (180deg=-0.37) USER MOD Single : A 48 SER OG : rot -161:sc= -0.852 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -1.51 (180deg=-1.7) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 160:sc= -0.139 (180deg=-0.69) USER MOD Single : A 79 LYS NZ :NH3+ 143:sc= -2.84! (180deg=-6.66!) USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.176) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -8.19! C(o=-8.2!,f=-14!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 52:sc= -2.88! USER MOD Single : A 103 ASN : amide:sc= -9.84! C(o=-9.8!,f=-10!) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -11.397 2.628 23.527 1.00 0.00 N ATOM 2 CA GLY A -2 -10.800 1.295 23.238 1.00 0.00 C ATOM 3 C GLY A -2 -9.562 1.021 24.069 1.00 0.00 C ATOM 4 O GLY A -2 -9.070 1.905 24.770 1.00 0.00 O ATOM 0 H1 GLY A -2 -12.365 2.504 23.886 1.00 0.00 H new ATOM 0 H2 GLY A -2 -10.823 3.118 24.243 1.00 0.00 H new ATOM 0 H3 GLY A -2 -11.420 3.194 22.655 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -11.541 0.519 23.430 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.544 1.237 22.180 1.00 0.00 H new ATOM 10 N SER A -1 -9.060 -0.207 23.991 1.00 0.00 N ATOM 11 CA SER A -1 -7.872 -0.596 24.742 1.00 0.00 C ATOM 12 C SER A -1 -7.016 -1.573 23.942 1.00 0.00 C ATOM 13 O SER A -1 -7.448 -2.091 22.912 1.00 0.00 O ATOM 14 CB SER A -1 -8.271 -1.225 26.079 1.00 0.00 C ATOM 15 OG SER A -1 -9.061 -2.385 25.882 1.00 0.00 O ATOM 0 H SER A -1 -9.457 -0.950 23.416 1.00 0.00 H new ATOM 0 HA SER A -1 -7.284 0.302 24.932 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.376 -1.483 26.645 1.00 0.00 H new ATOM 0 HB3 SER A -1 -8.826 -0.500 26.674 1.00 0.00 H new ATOM 0 HG SER A -1 -9.301 -2.769 26.751 1.00 0.00 H new ATOM 21 N HIS A 0 -5.802 -1.819 24.423 1.00 0.00 N ATOM 22 CA HIS A 0 -4.885 -2.735 23.754 1.00 0.00 C ATOM 23 C HIS A 0 -4.991 -4.138 24.343 1.00 0.00 C ATOM 24 O HIS A 0 -4.324 -5.066 23.882 1.00 0.00 O ATOM 25 CB HIS A 0 -3.447 -2.227 23.873 1.00 0.00 C ATOM 26 CG HIS A 0 -3.238 -0.876 23.264 1.00 0.00 C ATOM 27 ND1 HIS A 0 -3.154 0.282 24.009 1.00 0.00 N ATOM 28 CD2 HIS A 0 -3.093 -0.498 21.971 1.00 0.00 C ATOM 29 CE1 HIS A 0 -2.968 1.312 23.202 1.00 0.00 C ATOM 30 NE2 HIS A 0 -2.927 0.865 21.960 1.00 0.00 N ATOM 0 H HIS A 0 -5.430 -1.397 25.274 1.00 0.00 H new ATOM 0 HA HIS A 0 -5.161 -2.781 22.701 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -3.170 -2.189 24.926 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -2.777 -2.941 23.393 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -3.106 -1.148 21.109 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -2.867 2.343 23.506 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -2.794 1.439 21.128 1.00 0.00 H new ATOM 39 N MET A 1 -5.831 -4.284 25.364 1.00 0.00 N ATOM 40 CA MET A 1 -6.029 -5.572 26.022 1.00 0.00 C ATOM 41 C MET A 1 -4.713 -6.113 26.575 1.00 0.00 C ATOM 42 O MET A 1 -3.697 -5.419 26.575 1.00 0.00 O ATOM 43 CB MET A 1 -6.640 -6.581 25.045 1.00 0.00 C ATOM 44 CG MET A 1 -7.990 -6.151 24.493 1.00 0.00 C ATOM 45 SD MET A 1 -9.227 -5.912 25.784 1.00 0.00 S ATOM 46 CE MET A 1 -9.313 -7.560 26.481 1.00 0.00 C ATOM 0 H MET A 1 -6.387 -3.523 25.755 1.00 0.00 H new ATOM 0 HA MET A 1 -6.716 -5.422 26.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.950 -6.735 24.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.752 -7.541 25.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.870 -5.223 23.934 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.346 -6.903 23.789 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.234 -7.665 27.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.301 -8.296 25.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.457 -7.723 27.135 1.00 0.00 H new ATOM 56 N ILE A 2 -4.742 -7.356 27.047 1.00 0.00 N ATOM 57 CA ILE A 2 -3.553 -7.990 27.602 1.00 0.00 C ATOM 58 C ILE A 2 -2.573 -8.383 26.501 1.00 0.00 C ATOM 59 O ILE A 2 -1.359 -8.364 26.701 1.00 0.00 O ATOM 60 CB ILE A 2 -3.914 -9.241 28.427 1.00 0.00 C ATOM 61 CG1 ILE A 2 -4.700 -10.236 27.569 1.00 0.00 C ATOM 62 CG2 ILE A 2 -4.712 -8.845 29.662 1.00 0.00 C ATOM 63 CD1 ILE A 2 -4.979 -11.552 28.265 1.00 0.00 C ATOM 0 H ILE A 2 -5.576 -7.943 27.056 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.082 -7.257 28.257 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.993 -9.724 28.753 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.647 -9.782 27.277 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.143 -10.431 26.652 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.961 -9.738 30.236 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.117 -8.171 30.279 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.630 -8.343 29.356 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.539 -12.206 27.596 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.036 -12.029 28.533 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.563 -11.370 29.167 1.00 0.00 H new ATOM 75 N ALA A 3 -3.111 -8.741 25.338 1.00 0.00 N ATOM 76 CA ALA A 3 -2.286 -9.139 24.204 1.00 0.00 C ATOM 77 C ALA A 3 -3.105 -9.168 22.914 1.00 0.00 C ATOM 78 O ALA A 3 -4.312 -9.408 22.945 1.00 0.00 O ATOM 79 CB ALA A 3 -1.658 -10.500 24.463 1.00 0.00 C ATOM 0 H ALA A 3 -4.115 -8.763 25.157 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.493 -8.401 24.084 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.044 -10.786 23.609 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.035 -10.449 25.356 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.444 -11.241 24.610 1.00 0.00 H new ATOM 85 N PRO A 4 -2.457 -8.923 21.759 1.00 0.00 N ATOM 86 CA PRO A 4 -3.137 -8.924 20.460 1.00 0.00 C ATOM 87 C PRO A 4 -3.550 -10.327 20.025 1.00 0.00 C ATOM 88 O PRO A 4 -2.923 -11.315 20.404 1.00 0.00 O ATOM 89 CB PRO A 4 -2.084 -8.358 19.507 1.00 0.00 C ATOM 90 CG PRO A 4 -0.779 -8.689 20.146 1.00 0.00 C ATOM 91 CD PRO A 4 -1.017 -8.625 21.629 1.00 0.00 C ATOM 0 HA PRO A 4 -4.062 -8.348 20.484 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.165 -8.806 18.516 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.202 -7.282 19.381 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.439 -9.681 19.848 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.006 -7.982 19.844 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.407 -9.351 22.165 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.772 -7.643 22.033 1.00 0.00 H new ATOM 99 N LEU A 5 -4.610 -10.403 19.227 1.00 0.00 N ATOM 100 CA LEU A 5 -5.109 -11.685 18.739 1.00 0.00 C ATOM 101 C LEU A 5 -4.149 -12.290 17.721 1.00 0.00 C ATOM 102 O LEU A 5 -3.332 -11.586 17.127 1.00 0.00 O ATOM 103 CB LEU A 5 -6.493 -11.510 18.110 1.00 0.00 C ATOM 104 CG LEU A 5 -7.569 -10.963 19.051 1.00 0.00 C ATOM 105 CD1 LEU A 5 -8.845 -10.657 18.280 1.00 0.00 C ATOM 106 CD2 LEU A 5 -7.847 -11.949 20.177 1.00 0.00 C ATOM 0 H LEU A 5 -5.140 -9.593 18.904 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.186 -12.364 19.588 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.404 -10.839 17.255 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.825 -12.474 17.725 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.202 -10.036 19.491 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.599 -10.269 18.964 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.636 -9.913 17.511 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.215 -11.569 17.812 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.615 -11.542 20.835 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.193 -12.893 19.757 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.933 -12.118 20.746 1.00 0.00 H new ATOM 118 N SER A 6 -4.252 -13.601 17.525 1.00 0.00 N ATOM 119 CA SER A 6 -3.393 -14.304 16.579 1.00 0.00 C ATOM 120 C SER A 6 -4.129 -14.567 15.268 1.00 0.00 C ATOM 121 O SER A 6 -3.576 -15.164 14.344 1.00 0.00 O ATOM 122 CB SER A 6 -2.910 -15.625 17.180 1.00 0.00 C ATOM 123 OG SER A 6 -2.172 -15.406 18.369 1.00 0.00 O ATOM 0 H SER A 6 -4.922 -14.198 18.009 1.00 0.00 H new ATOM 0 HA SER A 6 -2.530 -13.671 16.370 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.766 -16.266 17.393 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.290 -16.152 16.455 1.00 0.00 H new ATOM 0 HG SER A 6 -1.876 -16.266 18.734 1.00 0.00 H new ATOM 129 N VAL A 7 -5.378 -14.118 15.197 1.00 0.00 N ATOM 130 CA VAL A 7 -6.191 -14.304 14.001 1.00 0.00 C ATOM 131 C VAL A 7 -6.012 -13.142 13.029 1.00 0.00 C ATOM 132 O VAL A 7 -6.779 -12.991 12.077 1.00 0.00 O ATOM 133 CB VAL A 7 -7.684 -14.442 14.352 1.00 0.00 C ATOM 134 CG1 VAL A 7 -7.912 -15.649 15.249 1.00 0.00 C ATOM 135 CG2 VAL A 7 -8.200 -13.173 15.014 1.00 0.00 C ATOM 0 H VAL A 7 -5.849 -13.623 15.954 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.852 -15.225 13.527 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.241 -14.593 13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.973 -15.731 15.487 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.585 -16.552 14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.342 -15.530 16.170 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.257 -13.292 15.254 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.639 -12.986 15.930 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.075 -12.331 14.333 1.00 0.00 H new ATOM 145 N LYS A 8 -4.992 -12.328 13.274 1.00 0.00 N ATOM 146 CA LYS A 8 -4.710 -11.177 12.424 1.00 0.00 C ATOM 147 C LYS A 8 -3.285 -11.226 11.891 1.00 0.00 C ATOM 148 O LYS A 8 -3.064 -11.322 10.684 1.00 0.00 O ATOM 149 CB LYS A 8 -4.944 -9.874 13.196 1.00 0.00 C ATOM 150 CG LYS A 8 -4.543 -9.954 14.661 1.00 0.00 C ATOM 151 CD LYS A 8 -5.023 -8.740 15.443 1.00 0.00 C ATOM 152 CE LYS A 8 -4.265 -7.482 15.053 1.00 0.00 C ATOM 153 NZ LYS A 8 -2.815 -7.585 15.372 1.00 0.00 N ATOM 0 H LYS A 8 -4.346 -12.444 14.055 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.391 -11.210 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.382 -9.072 12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.999 -9.607 13.131 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.959 -10.859 15.103 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.458 -10.031 14.738 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.088 -8.592 15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.899 -8.923 16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.390 -7.300 13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.691 -6.625 15.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.495 -6.704 15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.658 -8.383 16.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.277 -7.740 14.496 1.00 0.00 H new ATOM 167 N ASP A 9 -2.334 -11.171 12.806 1.00 0.00 N ATOM 168 CA ASP A 9 -0.916 -11.203 12.463 1.00 0.00 C ATOM 169 C ASP A 9 -0.583 -10.172 11.393 1.00 0.00 C ATOM 170 O ASP A 9 -0.796 -10.400 10.201 1.00 0.00 O ATOM 171 CB ASP A 9 -0.513 -12.598 11.998 1.00 0.00 C ATOM 172 CG ASP A 9 0.858 -12.624 11.351 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.859 -12.757 12.086 1.00 0.00 O ATOM 174 OD2 ASP A 9 0.931 -12.512 10.109 1.00 0.00 O ATOM 0 H ASP A 9 -2.518 -11.103 13.807 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.349 -10.952 13.359 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.521 -13.277 12.850 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.253 -12.968 11.288 1.00 0.00 H new ATOM 179 N ASN A 10 -0.054 -9.041 11.831 1.00 0.00 N ATOM 180 CA ASN A 10 0.301 -7.960 10.927 1.00 0.00 C ATOM 181 C ASN A 10 1.721 -7.472 11.159 1.00 0.00 C ATOM 182 O ASN A 10 2.622 -7.743 10.364 1.00 0.00 O ATOM 183 CB ASN A 10 -0.672 -6.804 11.115 1.00 0.00 C ATOM 184 CG ASN A 10 -1.324 -6.801 12.484 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.335 -7.467 12.702 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.751 -6.040 13.410 1.00 0.00 N ATOM 0 H ASN A 10 0.140 -8.848 12.814 1.00 0.00 H new ATOM 0 HA ASN A 10 0.243 -8.342 9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.143 -5.862 10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.446 -6.858 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.149 -5.991 14.348 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.087 -5.505 13.183 1.00 0.00 H new ATOM 193 N ASP A 11 1.895 -6.744 12.251 1.00 0.00 N ATOM 194 CA ASP A 11 3.179 -6.183 12.631 1.00 0.00 C ATOM 195 C ASP A 11 4.329 -7.132 12.317 1.00 0.00 C ATOM 196 O ASP A 11 4.630 -8.047 13.084 1.00 0.00 O ATOM 197 CB ASP A 11 3.159 -5.836 14.115 1.00 0.00 C ATOM 198 CG ASP A 11 2.708 -6.999 14.978 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.482 -7.177 15.139 1.00 0.00 O ATOM 200 OD2 ASP A 11 3.580 -7.730 15.494 1.00 0.00 O ATOM 0 H ASP A 11 1.142 -6.525 12.903 1.00 0.00 H new ATOM 0 HA ASP A 11 3.344 -5.279 12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.156 -5.523 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.494 -4.988 14.277 1.00 0.00 H new ATOM 205 N LYS A 12 4.961 -6.902 11.174 1.00 0.00 N ATOM 206 CA LYS A 12 6.082 -7.711 10.728 1.00 0.00 C ATOM 207 C LYS A 12 7.390 -6.930 10.860 1.00 0.00 C ATOM 208 O LYS A 12 7.773 -6.180 9.962 1.00 0.00 O ATOM 209 CB LYS A 12 5.857 -8.142 9.278 1.00 0.00 C ATOM 210 CG LYS A 12 7.052 -8.831 8.653 1.00 0.00 C ATOM 211 CD LYS A 12 7.311 -10.188 9.285 1.00 0.00 C ATOM 212 CE LYS A 12 8.338 -10.980 8.494 1.00 0.00 C ATOM 213 NZ LYS A 12 8.701 -12.255 9.171 1.00 0.00 N ATOM 0 H LYS A 12 4.710 -6.150 10.532 1.00 0.00 H new ATOM 0 HA LYS A 12 6.154 -8.600 11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.000 -8.814 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.603 -7.265 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.883 -8.954 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.935 -8.202 8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.662 -10.054 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.379 -10.750 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.943 -11.196 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.234 -10.375 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.404 -12.764 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.102 -12.049 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.851 -12.844 9.280 1.00 0.00 H new ATOM 227 N TRP A 13 8.063 -7.110 11.992 1.00 0.00 N ATOM 228 CA TRP A 13 9.313 -6.423 12.272 1.00 0.00 C ATOM 229 C TRP A 13 10.509 -7.216 11.758 1.00 0.00 C ATOM 230 O TRP A 13 10.899 -8.219 12.356 1.00 0.00 O ATOM 231 CB TRP A 13 9.426 -6.197 13.782 1.00 0.00 C ATOM 232 CG TRP A 13 8.098 -5.920 14.429 1.00 0.00 C ATOM 233 CD1 TRP A 13 7.146 -6.840 14.764 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.571 -4.641 14.810 1.00 0.00 C ATOM 235 NE1 TRP A 13 6.055 -6.213 15.312 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.289 -4.864 15.354 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.052 -3.332 14.743 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.484 -3.826 15.822 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.254 -2.303 15.211 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.983 -2.555 15.741 1.00 0.00 C ATOM 0 H TRP A 13 7.756 -7.735 12.737 1.00 0.00 H new ATOM 0 HA TRP A 13 9.315 -5.464 11.754 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.874 -7.077 14.244 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.099 -5.360 13.970 1.00 0.00 H new ATOM 0 HD1 TRP A 13 7.238 -7.906 14.619 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.206 -6.677 15.636 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.030 -3.126 14.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.504 -4.018 16.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.618 -1.287 15.167 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.384 -1.728 16.093 1.00 0.00 H new ATOM 251 N VAL A 14 11.098 -6.761 10.646 1.00 0.00 N ATOM 252 CA VAL A 14 12.250 -7.456 10.066 1.00 0.00 C ATOM 253 C VAL A 14 13.164 -6.509 9.311 1.00 0.00 C ATOM 254 O VAL A 14 12.961 -5.300 9.310 1.00 0.00 O ATOM 255 CB VAL A 14 11.813 -8.581 9.106 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.262 -9.766 9.881 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.798 -8.061 8.100 1.00 0.00 C ATOM 0 H VAL A 14 10.801 -5.928 10.137 1.00 0.00 H new ATOM 0 HA VAL A 14 12.793 -7.885 10.908 1.00 0.00 H new ATOM 0 HB VAL A 14 12.688 -8.923 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.960 -10.548 9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.031 -10.153 10.549 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.399 -9.448 10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.502 -8.869 7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.921 -7.687 8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.243 -7.254 7.518 1.00 0.00 H new ATOM 267 N ASP A 15 14.179 -7.089 8.678 1.00 0.00 N ATOM 268 CA ASP A 15 15.155 -6.337 7.900 1.00 0.00 C ATOM 269 C ASP A 15 14.828 -6.421 6.411 1.00 0.00 C ATOM 270 O ASP A 15 13.815 -7.009 6.030 1.00 0.00 O ATOM 271 CB ASP A 15 16.550 -6.896 8.169 1.00 0.00 C ATOM 272 CG ASP A 15 17.233 -6.219 9.341 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.891 -6.546 10.497 1.00 0.00 O ATOM 274 OD2 ASP A 15 18.110 -5.362 9.103 1.00 0.00 O ATOM 0 H ASP A 15 14.347 -8.095 8.691 1.00 0.00 H new ATOM 0 HA ASP A 15 15.122 -5.289 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.477 -7.966 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.164 -6.776 7.276 1.00 0.00 H new ATOM 279 N THR A 16 15.682 -5.840 5.567 1.00 0.00 N ATOM 280 CA THR A 16 15.447 -5.867 4.125 1.00 0.00 C ATOM 281 C THR A 16 16.607 -5.256 3.340 1.00 0.00 C ATOM 282 O THR A 16 17.615 -4.841 3.912 1.00 0.00 O ATOM 283 CB THR A 16 14.150 -5.116 3.766 1.00 0.00 C ATOM 284 OG1 THR A 16 13.565 -5.679 2.585 1.00 0.00 O ATOM 285 CG2 THR A 16 14.411 -3.634 3.542 1.00 0.00 C ATOM 0 H THR A 16 16.531 -5.352 5.853 1.00 0.00 H new ATOM 0 HA THR A 16 15.356 -6.917 3.847 1.00 0.00 H new ATOM 0 HB THR A 16 13.463 -5.223 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.741 -5.196 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.476 -3.134 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.824 -3.196 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.121 -3.509 2.724 1.00 0.00 H new ATOM 293 N HIS A 17 16.444 -5.210 2.018 1.00 0.00 N ATOM 294 CA HIS A 17 17.450 -4.642 1.127 1.00 0.00 C ATOM 295 C HIS A 17 16.904 -3.383 0.456 1.00 0.00 C ATOM 296 O HIS A 17 15.868 -2.865 0.861 1.00 0.00 O ATOM 297 CB HIS A 17 17.864 -5.670 0.074 1.00 0.00 C ATOM 298 CG HIS A 17 18.965 -6.578 0.524 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.748 -7.873 0.950 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.301 -6.375 0.612 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.902 -8.424 1.281 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.860 -7.537 1.084 1.00 0.00 N ATOM 0 H HIS A 17 15.616 -5.563 1.539 1.00 0.00 H new ATOM 0 HA HIS A 17 18.329 -4.373 1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.996 -6.271 -0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.182 -5.146 -0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.829 -5.468 0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.039 -9.430 1.650 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.854 -7.690 1.255 1.00 0.00 H new ATOM 311 N VAL A 18 17.591 -2.896 -0.572 1.00 0.00 N ATOM 312 CA VAL A 18 17.151 -1.687 -1.264 1.00 0.00 C ATOM 313 C VAL A 18 16.289 -2.006 -2.483 1.00 0.00 C ATOM 314 O VAL A 18 16.605 -2.895 -3.274 1.00 0.00 O ATOM 315 CB VAL A 18 18.348 -0.818 -1.701 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.249 -1.584 -2.659 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.864 0.481 -2.331 1.00 0.00 C ATOM 0 H VAL A 18 18.445 -3.313 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 18 16.547 -1.130 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 18 18.933 -0.569 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.087 -0.952 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.626 -2.480 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.680 -1.869 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.722 1.081 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.253 0.256 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.269 1.037 -1.606 1.00 0.00 H new ATOM 327 N GLY A 19 15.193 -1.263 -2.615 1.00 0.00 N ATOM 328 CA GLY A 19 14.278 -1.443 -3.730 1.00 0.00 C ATOM 329 C GLY A 19 13.731 -2.849 -3.842 1.00 0.00 C ATOM 330 O GLY A 19 13.181 -3.217 -4.878 1.00 0.00 O ATOM 0 H GLY A 19 14.920 -0.530 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.447 -0.746 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.792 -1.187 -4.656 1.00 0.00 H new ATOM 334 N LYS A 20 13.886 -3.643 -2.787 1.00 0.00 N ATOM 335 CA LYS A 20 13.375 -5.005 -2.790 1.00 0.00 C ATOM 336 C LYS A 20 11.854 -4.977 -2.855 1.00 0.00 C ATOM 337 O LYS A 20 11.173 -5.089 -1.836 1.00 0.00 O ATOM 338 CB LYS A 20 13.844 -5.761 -1.547 1.00 0.00 C ATOM 339 CG LYS A 20 14.332 -7.165 -1.842 1.00 0.00 C ATOM 340 CD LYS A 20 15.752 -7.129 -2.361 1.00 0.00 C ATOM 341 CE LYS A 20 16.418 -8.493 -2.274 1.00 0.00 C ATOM 342 NZ LYS A 20 15.695 -9.517 -3.077 1.00 0.00 N ATOM 0 H LYS A 20 14.358 -3.367 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 20 13.761 -5.527 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.647 -5.198 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.023 -5.813 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.283 -7.772 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.681 -7.637 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.752 -6.789 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.331 -6.404 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.447 -8.417 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.459 -8.811 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.252 -10.395 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.768 -9.707 -2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.559 -9.166 -4.046 1.00 0.00 H new ATOM 356 N THR A 21 11.336 -4.807 -4.067 1.00 0.00 N ATOM 357 CA THR A 21 9.900 -4.732 -4.293 1.00 0.00 C ATOM 358 C THR A 21 9.156 -5.848 -3.572 1.00 0.00 C ATOM 359 O THR A 21 9.127 -6.990 -4.033 1.00 0.00 O ATOM 360 CB THR A 21 9.565 -4.797 -5.792 1.00 0.00 C ATOM 361 OG1 THR A 21 10.463 -3.963 -6.533 1.00 0.00 O ATOM 362 CG2 THR A 21 8.133 -4.348 -6.040 1.00 0.00 C ATOM 0 H THR A 21 11.897 -4.718 -4.914 1.00 0.00 H new ATOM 0 HA THR A 21 9.575 -3.772 -3.891 1.00 0.00 H new ATOM 0 HB THR A 21 9.673 -5.830 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.070 -3.754 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.915 -4.401 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.448 -4.999 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.009 -3.322 -5.695 1.00 0.00 H new ATOM 370 N THR A 22 8.558 -5.508 -2.437 1.00 0.00 N ATOM 371 CA THR A 22 7.802 -6.472 -1.655 1.00 0.00 C ATOM 372 C THR A 22 6.324 -6.399 -2.007 1.00 0.00 C ATOM 373 O THR A 22 5.597 -5.530 -1.524 1.00 0.00 O ATOM 374 CB THR A 22 7.991 -6.246 -0.140 1.00 0.00 C ATOM 375 OG1 THR A 22 9.359 -6.467 0.219 1.00 0.00 O ATOM 376 CG2 THR A 22 7.095 -7.170 0.672 1.00 0.00 C ATOM 0 H THR A 22 8.583 -4.569 -2.039 1.00 0.00 H new ATOM 0 HA THR A 22 8.182 -7.464 -1.900 1.00 0.00 H new ATOM 0 HB THR A 22 7.714 -5.216 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.943 -5.991 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.251 -6.987 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.052 -6.979 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.339 -8.207 0.443 1.00 0.00 H new ATOM 384 N GLU A 23 5.901 -7.310 -2.875 1.00 0.00 N ATOM 385 CA GLU A 23 4.526 -7.383 -3.317 1.00 0.00 C ATOM 386 C GLU A 23 3.655 -8.058 -2.274 1.00 0.00 C ATOM 387 O GLU A 23 4.007 -9.111 -1.742 1.00 0.00 O ATOM 388 CB GLU A 23 4.463 -8.155 -4.628 1.00 0.00 C ATOM 389 CG GLU A 23 3.073 -8.207 -5.225 1.00 0.00 C ATOM 390 CD GLU A 23 3.069 -8.745 -6.642 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.218 -9.973 -6.812 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.920 -7.937 -7.584 1.00 0.00 O ATOM 0 H GLU A 23 6.508 -8.017 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 23 4.149 -6.371 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.142 -7.695 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.817 -9.172 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.436 -8.833 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.641 -7.206 -5.219 1.00 0.00 H new ATOM 399 N ILE A 24 2.516 -7.447 -1.985 1.00 0.00 N ATOM 400 CA ILE A 24 1.597 -7.990 -1.002 1.00 0.00 C ATOM 401 C ILE A 24 0.152 -7.900 -1.463 1.00 0.00 C ATOM 402 O ILE A 24 -0.448 -6.825 -1.460 1.00 0.00 O ATOM 403 CB ILE A 24 1.725 -7.254 0.337 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.185 -7.241 0.796 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.829 -7.901 1.383 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.405 -6.550 2.122 1.00 0.00 C ATOM 0 H ILE A 24 2.208 -6.576 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 24 1.866 -9.039 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 24 1.401 -6.222 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.541 -8.268 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.790 -6.747 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.930 -7.368 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.208 -7.857 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.122 -8.942 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.464 -6.583 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.081 -5.512 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.829 -7.056 2.896 1.00 0.00 H new ATOM 418 N HIS A 25 -0.395 -9.036 -1.870 1.00 0.00 N ATOM 419 CA HIS A 25 -1.780 -9.103 -2.301 1.00 0.00 C ATOM 420 C HIS A 25 -2.675 -9.321 -1.088 1.00 0.00 C ATOM 421 O HIS A 25 -2.823 -10.445 -0.609 1.00 0.00 O ATOM 422 CB HIS A 25 -1.986 -10.241 -3.297 1.00 0.00 C ATOM 423 CG HIS A 25 -0.855 -10.418 -4.260 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.115 -11.579 -4.345 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.345 -9.582 -5.195 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.800 -11.448 -5.287 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.680 -10.246 -5.820 1.00 0.00 N ATOM 0 H HIS A 25 0.103 -9.926 -1.910 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.038 -8.164 -2.792 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.130 -11.171 -2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.902 -10.058 -3.858 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.253 -12.410 -3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.682 -8.579 -5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.524 -12.197 -5.573 1.00 0.00 H new ATOM 436 N LEU A 26 -3.262 -8.244 -0.594 1.00 0.00 N ATOM 437 CA LEU A 26 -4.125 -8.319 0.576 1.00 0.00 C ATOM 438 C LEU A 26 -5.578 -8.466 0.160 1.00 0.00 C ATOM 439 O LEU A 26 -6.005 -7.907 -0.845 1.00 0.00 O ATOM 440 CB LEU A 26 -3.963 -7.069 1.437 1.00 0.00 C ATOM 441 CG LEU A 26 -2.538 -6.777 1.911 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.422 -5.336 2.384 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.137 -7.733 3.025 1.00 0.00 C ATOM 0 H LEU A 26 -3.158 -7.307 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.833 -9.194 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.322 -6.210 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.606 -7.166 2.312 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.860 -6.924 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.402 -5.144 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.668 -4.663 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.112 -5.168 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.120 -7.509 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.819 -7.617 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.184 -8.759 2.659 1.00 0.00 H new ATOM 455 N LYS A 27 -6.337 -9.216 0.942 1.00 0.00 N ATOM 456 CA LYS A 27 -7.743 -9.432 0.646 1.00 0.00 C ATOM 457 C LYS A 27 -8.613 -8.500 1.477 1.00 0.00 C ATOM 458 O LYS A 27 -8.166 -7.949 2.483 1.00 0.00 O ATOM 459 CB LYS A 27 -8.133 -10.885 0.907 1.00 0.00 C ATOM 460 CG LYS A 27 -7.095 -11.891 0.431 1.00 0.00 C ATOM 461 CD LYS A 27 -6.001 -12.107 1.466 1.00 0.00 C ATOM 462 CE LYS A 27 -4.995 -13.147 1.003 1.00 0.00 C ATOM 463 NZ LYS A 27 -3.919 -13.366 2.008 1.00 0.00 N ATOM 0 H LYS A 27 -6.004 -9.684 1.785 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.904 -9.214 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.296 -11.022 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.081 -11.092 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.583 -12.841 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.650 -11.541 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.489 -11.164 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.447 -12.425 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.509 -14.089 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.551 -12.828 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.254 -14.082 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.411 -12.474 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.339 -13.695 2.900 1.00 0.00 H new ATOM 477 N GLY A 28 -9.856 -8.337 1.052 1.00 0.00 N ATOM 478 CA GLY A 28 -10.771 -7.460 1.758 1.00 0.00 C ATOM 479 C GLY A 28 -12.095 -7.309 1.035 1.00 0.00 C ATOM 480 O GLY A 28 -12.610 -8.270 0.464 1.00 0.00 O ATOM 0 H GLY A 28 -10.250 -8.796 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.949 -7.853 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.311 -6.479 1.878 1.00 0.00 H new ATOM 484 N ASN A 29 -12.645 -6.098 1.057 1.00 0.00 N ATOM 485 CA ASN A 29 -13.915 -5.824 0.396 1.00 0.00 C ATOM 486 C ASN A 29 -14.227 -4.326 0.414 1.00 0.00 C ATOM 487 O ASN A 29 -14.668 -3.794 1.432 1.00 0.00 O ATOM 488 CB ASN A 29 -15.047 -6.601 1.073 1.00 0.00 C ATOM 489 CG ASN A 29 -16.332 -6.569 0.265 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.307 -6.389 -0.953 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.462 -6.753 0.938 1.00 0.00 N ATOM 0 H ASN A 29 -12.231 -5.292 1.525 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.833 -6.148 -0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.738 -7.636 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.232 -6.181 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.355 -6.749 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.437 -6.899 1.947 1.00 0.00 H new ATOM 498 N PRO A 30 -13.993 -3.623 -0.710 1.00 0.00 N ATOM 499 CA PRO A 30 -14.255 -2.182 -0.811 1.00 0.00 C ATOM 500 C PRO A 30 -15.706 -1.830 -0.490 1.00 0.00 C ATOM 501 O PRO A 30 -15.984 -0.796 0.118 1.00 0.00 O ATOM 502 CB PRO A 30 -13.944 -1.859 -2.275 1.00 0.00 C ATOM 503 CG PRO A 30 -13.026 -2.943 -2.720 1.00 0.00 C ATOM 504 CD PRO A 30 -13.448 -4.170 -1.967 1.00 0.00 C ATOM 0 HA PRO A 30 -13.657 -1.614 -0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.853 -1.839 -2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.475 -0.880 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.099 -3.100 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.988 -2.690 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.197 -4.741 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.607 -4.839 -1.784 1.00 0.00 H new ATOM 512 N THR A 31 -16.626 -2.697 -0.902 1.00 0.00 N ATOM 513 CA THR A 31 -18.048 -2.478 -0.663 1.00 0.00 C ATOM 514 C THR A 31 -18.376 -2.522 0.826 1.00 0.00 C ATOM 515 O THR A 31 -19.392 -1.982 1.263 1.00 0.00 O ATOM 516 CB THR A 31 -18.907 -3.523 -1.396 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.578 -4.839 -0.936 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.695 -3.439 -2.900 1.00 0.00 C ATOM 0 H THR A 31 -16.411 -3.559 -1.404 1.00 0.00 H new ATOM 0 HA THR A 31 -18.281 -1.486 -1.051 1.00 0.00 H new ATOM 0 HB THR A 31 -19.955 -3.315 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.687 -5.086 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.313 -4.187 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.975 -2.446 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.646 -3.624 -3.130 1.00 0.00 H new ATOM 526 N THR A 32 -17.509 -3.168 1.600 1.00 0.00 N ATOM 527 CA THR A 32 -17.708 -3.282 3.041 1.00 0.00 C ATOM 528 C THR A 32 -17.661 -1.914 3.713 1.00 0.00 C ATOM 529 O THR A 32 -18.547 -1.569 4.496 1.00 0.00 O ATOM 530 CB THR A 32 -16.652 -4.206 3.679 1.00 0.00 C ATOM 531 OG1 THR A 32 -16.845 -5.549 3.227 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.727 -4.170 5.196 1.00 0.00 C ATOM 0 H THR A 32 -16.663 -3.620 1.254 1.00 0.00 H new ATOM 0 HA THR A 32 -18.695 -3.717 3.195 1.00 0.00 H new ATOM 0 HB THR A 32 -15.668 -3.848 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.713 -5.878 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.969 -4.833 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.552 -3.152 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.715 -4.499 5.519 1.00 0.00 H new ATOM 540 N GLY A 33 -16.626 -1.139 3.406 1.00 0.00 N ATOM 541 CA GLY A 33 -16.496 0.182 3.991 1.00 0.00 C ATOM 542 C GLY A 33 -15.053 0.632 4.118 1.00 0.00 C ATOM 543 O GLY A 33 -14.613 1.533 3.405 1.00 0.00 O ATOM 0 H GLY A 33 -15.877 -1.401 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.043 0.900 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.960 0.184 4.977 1.00 0.00 H new ATOM 547 N TYR A 34 -14.314 0.003 5.027 1.00 0.00 N ATOM 548 CA TYR A 34 -12.916 0.353 5.249 1.00 0.00 C ATOM 549 C TYR A 34 -12.072 0.103 4.000 1.00 0.00 C ATOM 550 O TYR A 34 -12.579 -0.333 2.967 1.00 0.00 O ATOM 551 CB TYR A 34 -12.348 -0.435 6.433 1.00 0.00 C ATOM 552 CG TYR A 34 -13.001 -0.107 7.758 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.260 -0.605 8.074 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.360 0.697 8.697 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.861 -0.314 9.284 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.956 0.992 9.909 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.206 0.486 10.196 1.00 0.00 C ATOM 558 OH TYR A 34 -14.802 0.779 11.402 1.00 0.00 O ATOM 0 H TYR A 34 -14.660 -0.751 5.621 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.875 1.418 5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.463 -1.501 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.278 -0.239 6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.777 -1.230 7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.382 1.097 8.475 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.839 -0.711 9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.445 1.616 10.627 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.111 0.911 12.085 1.00 0.00 H new ATOM 568 N MET A 35 -10.778 0.384 4.113 1.00 0.00 N ATOM 569 CA MET A 35 -9.842 0.219 3.024 1.00 0.00 C ATOM 570 C MET A 35 -8.480 -0.188 3.561 1.00 0.00 C ATOM 571 O MET A 35 -8.127 0.135 4.693 1.00 0.00 O ATOM 572 CB MET A 35 -9.704 1.537 2.261 1.00 0.00 C ATOM 573 CG MET A 35 -8.321 1.744 1.667 1.00 0.00 C ATOM 574 SD MET A 35 -8.114 3.366 0.904 1.00 0.00 S ATOM 575 CE MET A 35 -9.375 3.314 -0.368 1.00 0.00 C ATOM 0 H MET A 35 -10.354 0.735 4.972 1.00 0.00 H new ATOM 0 HA MET A 35 -10.214 -0.558 2.357 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.444 1.565 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.931 2.364 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.573 1.619 2.450 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.133 0.972 0.921 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.856 4.289 -0.444 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.917 3.060 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.120 2.561 -0.111 1.00 0.00 H new ATOM 585 N TRP A 36 -7.716 -0.884 2.738 1.00 0.00 N ATOM 586 CA TRP A 36 -6.383 -1.304 3.121 1.00 0.00 C ATOM 587 C TRP A 36 -5.346 -0.450 2.404 1.00 0.00 C ATOM 588 O TRP A 36 -4.974 -0.732 1.265 1.00 0.00 O ATOM 589 CB TRP A 36 -6.168 -2.773 2.790 1.00 0.00 C ATOM 590 CG TRP A 36 -6.347 -3.680 3.964 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.287 -4.659 4.114 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.568 -3.684 5.160 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.135 -5.273 5.335 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.086 -4.692 5.994 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.480 -2.934 5.606 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.552 -4.966 7.247 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.952 -3.207 6.849 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.487 -4.216 7.658 1.00 0.00 C ATOM 0 H TRP A 36 -7.997 -1.170 1.800 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.273 -1.174 4.198 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.865 -3.066 2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.163 -2.904 2.390 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.039 -4.914 3.382 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.710 -6.036 5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.059 -2.154 4.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.964 -5.744 7.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.110 -2.632 7.205 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.049 -4.405 8.627 1.00 0.00 H new ATOM 609 N THR A 37 -4.890 0.598 3.077 1.00 0.00 N ATOM 610 CA THR A 37 -3.911 1.509 2.494 1.00 0.00 C ATOM 611 C THR A 37 -2.883 1.945 3.548 1.00 0.00 C ATOM 612 O THR A 37 -2.858 1.394 4.649 1.00 0.00 O ATOM 613 CB THR A 37 -4.617 2.738 1.895 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.664 3.609 1.277 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.375 3.486 2.974 1.00 0.00 C ATOM 0 H THR A 37 -5.181 0.839 4.025 1.00 0.00 H new ATOM 0 HA THR A 37 -3.384 0.985 1.697 1.00 0.00 H new ATOM 0 HB THR A 37 -5.323 2.395 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.099 4.455 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.870 4.353 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.122 2.827 3.417 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.679 3.816 3.745 1.00 0.00 H new ATOM 623 N ARG A 38 -2.038 2.931 3.224 1.00 0.00 N ATOM 624 CA ARG A 38 -1.018 3.397 4.165 1.00 0.00 C ATOM 625 C ARG A 38 -1.571 4.476 5.102 1.00 0.00 C ATOM 626 O ARG A 38 -2.553 5.146 4.782 1.00 0.00 O ATOM 627 CB ARG A 38 0.212 3.920 3.410 1.00 0.00 C ATOM 628 CG ARG A 38 1.234 2.851 3.093 1.00 0.00 C ATOM 629 CD ARG A 38 2.274 3.345 2.098 1.00 0.00 C ATOM 630 NE ARG A 38 2.644 4.744 2.286 1.00 0.00 N ATOM 631 CZ ARG A 38 3.858 5.132 2.672 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.767 4.231 3.014 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.162 6.421 2.725 1.00 0.00 N ATOM 0 H ARG A 38 -2.041 3.416 2.327 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.718 2.547 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.115 4.384 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.688 4.699 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.729 2.537 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.730 1.974 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.168 2.727 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.889 3.212 1.087 1.00 0.00 H new ATOM 0 HE ARG A 38 1.938 5.460 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.538 3.238 2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.696 4.531 3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.465 7.120 2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.093 6.714 3.021 1.00 0.00 H new ATOM 647 N VAL A 39 -0.929 4.631 6.262 1.00 0.00 N ATOM 648 CA VAL A 39 -1.355 5.612 7.264 1.00 0.00 C ATOM 649 C VAL A 39 -1.035 7.041 6.835 1.00 0.00 C ATOM 650 O VAL A 39 0.084 7.340 6.427 1.00 0.00 O ATOM 651 CB VAL A 39 -0.678 5.354 8.626 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.174 6.348 9.667 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.920 3.928 9.088 1.00 0.00 C ATOM 0 H VAL A 39 -0.109 4.088 6.532 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.435 5.497 7.358 1.00 0.00 H new ATOM 0 HB VAL A 39 0.396 5.492 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.685 6.150 10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.940 7.362 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.253 6.245 9.784 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.433 3.770 10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.991 3.756 9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.509 3.233 8.355 1.00 0.00 H new ATOM 663 N GLY A 40 -2.022 7.924 6.956 1.00 0.00 N ATOM 664 CA GLY A 40 -1.827 9.314 6.584 1.00 0.00 C ATOM 665 C GLY A 40 -1.838 9.519 5.083 1.00 0.00 C ATOM 666 O GLY A 40 -1.596 10.623 4.596 1.00 0.00 O ATOM 0 H GLY A 40 -2.954 7.701 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.611 9.921 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.878 9.666 6.989 1.00 0.00 H new ATOM 670 N PHE A 41 -2.121 8.449 4.350 1.00 0.00 N ATOM 671 CA PHE A 41 -2.166 8.504 2.896 1.00 0.00 C ATOM 672 C PHE A 41 -3.483 7.950 2.385 1.00 0.00 C ATOM 673 O PHE A 41 -3.738 7.925 1.184 1.00 0.00 O ATOM 674 CB PHE A 41 -0.996 7.721 2.311 1.00 0.00 C ATOM 675 CG PHE A 41 0.320 8.176 2.859 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.853 9.401 2.495 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.010 7.389 3.758 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.058 9.828 3.016 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.213 7.810 4.289 1.00 0.00 C ATOM 680 CZ PHE A 41 2.740 9.031 3.917 1.00 0.00 C ATOM 0 H PHE A 41 -2.323 7.529 4.742 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.087 9.544 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.129 6.660 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.994 7.831 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.320 10.029 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.604 6.432 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.467 10.783 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.741 7.185 4.994 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.682 9.362 4.329 1.00 0.00 H new ATOM 690 N VAL A 42 -4.308 7.492 3.316 1.00 0.00 N ATOM 691 CA VAL A 42 -5.615 6.946 2.986 1.00 0.00 C ATOM 692 C VAL A 42 -6.385 7.878 2.054 1.00 0.00 C ATOM 693 O VAL A 42 -6.776 8.979 2.444 1.00 0.00 O ATOM 694 CB VAL A 42 -6.446 6.702 4.257 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.732 5.965 3.918 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.623 5.944 5.288 1.00 0.00 C ATOM 0 H VAL A 42 -4.092 7.488 4.313 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.447 5.996 2.478 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.721 7.664 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.308 5.800 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.320 6.561 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.492 5.004 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.224 5.778 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.316 4.984 4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.739 6.526 5.547 1.00 0.00 H new ATOM 706 N GLY A 43 -6.595 7.428 0.820 1.00 0.00 N ATOM 707 CA GLY A 43 -7.311 8.230 -0.156 1.00 0.00 C ATOM 708 C GLY A 43 -6.443 8.599 -1.342 1.00 0.00 C ATOM 709 O GLY A 43 -6.950 8.986 -2.396 1.00 0.00 O ATOM 0 H GLY A 43 -6.281 6.520 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.185 7.680 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.676 9.139 0.321 1.00 0.00 H new ATOM 713 N LYS A 44 -5.132 8.479 -1.168 1.00 0.00 N ATOM 714 CA LYS A 44 -4.180 8.799 -2.220 1.00 0.00 C ATOM 715 C LYS A 44 -4.074 7.654 -3.222 1.00 0.00 C ATOM 716 O LYS A 44 -4.974 6.817 -3.319 1.00 0.00 O ATOM 717 CB LYS A 44 -2.811 9.088 -1.604 1.00 0.00 C ATOM 718 CG LYS A 44 -2.824 10.233 -0.603 1.00 0.00 C ATOM 719 CD LYS A 44 -1.424 10.565 -0.111 1.00 0.00 C ATOM 720 CE LYS A 44 -0.560 11.143 -1.222 1.00 0.00 C ATOM 721 NZ LYS A 44 -1.136 12.400 -1.776 1.00 0.00 N ATOM 0 H LYS A 44 -4.703 8.159 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.531 9.684 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.447 8.188 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.105 9.321 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.266 11.116 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.455 9.968 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.487 11.279 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.954 9.665 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.441 11.341 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.456 10.408 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.409 12.903 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.939 12.170 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.463 13.005 -0.996 1.00 0.00 H new ATOM 735 N ASP A 45 -2.974 7.620 -3.969 1.00 0.00 N ATOM 736 CA ASP A 45 -2.760 6.579 -4.967 1.00 0.00 C ATOM 737 C ASP A 45 -1.498 5.778 -4.669 1.00 0.00 C ATOM 738 O ASP A 45 -1.540 4.554 -4.540 1.00 0.00 O ATOM 739 CB ASP A 45 -2.657 7.198 -6.361 1.00 0.00 C ATOM 740 CG ASP A 45 -2.590 6.151 -7.456 1.00 0.00 C ATOM 741 OD1 ASP A 45 -3.660 5.748 -7.958 1.00 0.00 O ATOM 742 OD2 ASP A 45 -1.468 5.733 -7.810 1.00 0.00 O ATOM 0 H ASP A 45 -2.218 8.301 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.614 5.902 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.518 7.845 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.769 7.829 -6.411 1.00 0.00 H new ATOM 747 N VAL A 46 -0.377 6.480 -4.561 1.00 0.00 N ATOM 748 CA VAL A 46 0.907 5.841 -4.294 1.00 0.00 C ATOM 749 C VAL A 46 1.144 5.651 -2.805 1.00 0.00 C ATOM 750 O VAL A 46 1.674 4.625 -2.383 1.00 0.00 O ATOM 751 CB VAL A 46 2.072 6.662 -4.869 1.00 0.00 C ATOM 752 CG1 VAL A 46 3.367 5.872 -4.796 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.774 7.077 -6.296 1.00 0.00 C ATOM 0 H VAL A 46 -0.330 7.495 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 46 0.868 4.866 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 46 2.190 7.564 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.181 6.469 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.586 5.627 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.265 4.952 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.609 7.658 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.629 6.189 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.869 7.684 -6.317 1.00 0.00 H new ATOM 763 N LEU A 47 0.745 6.647 -2.018 1.00 0.00 N ATOM 764 CA LEU A 47 0.918 6.618 -0.568 1.00 0.00 C ATOM 765 C LEU A 47 2.373 6.901 -0.190 1.00 0.00 C ATOM 766 O LEU A 47 2.645 7.659 0.740 1.00 0.00 O ATOM 767 CB LEU A 47 0.473 5.277 0.009 1.00 0.00 C ATOM 768 CG LEU A 47 -0.787 4.671 -0.619 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.984 3.238 -0.146 1.00 0.00 C ATOM 770 CD2 LEU A 47 -2.008 5.518 -0.299 1.00 0.00 C ATOM 0 H LEU A 47 0.294 7.494 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 47 0.290 7.400 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.291 4.565 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.301 5.401 1.078 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.658 4.658 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.883 2.825 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.121 2.638 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.088 3.224 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.891 5.070 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.143 5.568 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.867 6.524 -0.694 1.00 0.00 H new ATOM 782 N SER A 48 3.300 6.281 -0.918 1.00 0.00 N ATOM 783 CA SER A 48 4.730 6.458 -0.684 1.00 0.00 C ATOM 784 C SER A 48 5.138 7.931 -0.726 1.00 0.00 C ATOM 785 O SER A 48 4.296 8.818 -0.871 1.00 0.00 O ATOM 786 CB SER A 48 5.514 5.690 -1.740 1.00 0.00 C ATOM 787 OG SER A 48 5.581 6.416 -2.955 1.00 0.00 O ATOM 0 H SER A 48 3.081 5.644 -1.684 1.00 0.00 H new ATOM 0 HA SER A 48 4.954 6.076 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.522 5.491 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.042 4.723 -1.916 1.00 0.00 H new ATOM 0 HG SER A 48 5.810 5.807 -3.688 1.00 0.00 H new ATOM 793 N ASP A 49 6.444 8.179 -0.615 1.00 0.00 N ATOM 794 CA ASP A 49 6.974 9.538 -0.637 1.00 0.00 C ATOM 795 C ASP A 49 8.437 9.556 -1.068 1.00 0.00 C ATOM 796 O ASP A 49 8.747 9.724 -2.248 1.00 0.00 O ATOM 797 CB ASP A 49 6.841 10.194 0.738 1.00 0.00 C ATOM 798 CG ASP A 49 5.409 10.555 1.077 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.705 9.703 1.657 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.992 11.689 0.763 1.00 0.00 O ATOM 0 H ASP A 49 7.153 7.453 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 49 6.389 10.102 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.231 9.517 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.455 11.094 0.768 1.00 0.00 H new ATOM 805 N GLU A 50 9.330 9.384 -0.099 1.00 0.00 N ATOM 806 CA GLU A 50 10.761 9.397 -0.362 1.00 0.00 C ATOM 807 C GLU A 50 11.460 8.211 0.297 1.00 0.00 C ATOM 808 O GLU A 50 12.461 7.706 -0.210 1.00 0.00 O ATOM 809 CB GLU A 50 11.350 10.703 0.161 1.00 0.00 C ATOM 810 CG GLU A 50 11.250 10.853 1.671 1.00 0.00 C ATOM 811 CD GLU A 50 11.775 12.188 2.162 1.00 0.00 C ATOM 812 OE1 GLU A 50 10.987 13.155 2.208 1.00 0.00 O ATOM 813 OE2 GLU A 50 12.975 12.265 2.502 1.00 0.00 O ATOM 0 H GLU A 50 9.084 9.233 0.879 1.00 0.00 H new ATOM 0 HA GLU A 50 10.918 9.318 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.398 10.763 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.837 11.539 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.209 10.742 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.809 10.049 2.150 1.00 0.00 H new ATOM 820 N ILE A 51 10.926 7.775 1.432 1.00 0.00 N ATOM 821 CA ILE A 51 11.499 6.657 2.173 1.00 0.00 C ATOM 822 C ILE A 51 11.235 5.333 1.471 1.00 0.00 C ATOM 823 O ILE A 51 12.121 4.773 0.830 1.00 0.00 O ATOM 824 CB ILE A 51 10.919 6.593 3.596 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.973 7.975 4.247 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.668 5.569 4.436 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.379 8.463 4.523 1.00 0.00 C ATOM 0 H ILE A 51 10.094 8.180 1.861 1.00 0.00 H new ATOM 0 HA ILE A 51 12.575 6.823 2.223 1.00 0.00 H new ATOM 0 HB ILE A 51 9.877 6.279 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.470 8.692 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.417 7.947 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.242 5.539 5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.579 4.585 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.720 5.848 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.338 9.449 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.880 7.768 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.933 8.524 3.586 1.00 0.00 H new ATOM 839 N LEU A 52 10.021 4.823 1.624 1.00 0.00 N ATOM 840 CA LEU A 52 9.636 3.566 0.992 1.00 0.00 C ATOM 841 C LEU A 52 8.774 3.802 -0.239 1.00 0.00 C ATOM 842 O LEU A 52 7.661 4.309 -0.130 1.00 0.00 O ATOM 843 CB LEU A 52 8.869 2.688 1.981 1.00 0.00 C ATOM 844 CG LEU A 52 9.715 1.649 2.711 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.937 1.042 3.866 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.176 0.566 1.750 1.00 0.00 C ATOM 0 H LEU A 52 9.285 5.259 2.180 1.00 0.00 H new ATOM 0 HA LEU A 52 10.552 3.062 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.392 3.331 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.072 2.174 1.445 1.00 0.00 H new ATOM 0 HG LEU A 52 10.596 2.147 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.557 0.303 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.658 1.827 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.037 0.560 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.778 -0.166 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.307 0.072 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.774 1.014 0.956 1.00 0.00 H new ATOM 858 N GLU A 53 9.302 3.448 -1.411 1.00 0.00 N ATOM 859 CA GLU A 53 8.560 3.585 -2.658 1.00 0.00 C ATOM 860 C GLU A 53 7.403 2.597 -2.685 1.00 0.00 C ATOM 861 O GLU A 53 7.421 1.618 -3.432 1.00 0.00 O ATOM 862 CB GLU A 53 9.480 3.342 -3.853 1.00 0.00 C ATOM 863 CG GLU A 53 9.861 4.609 -4.589 1.00 0.00 C ATOM 864 CD GLU A 53 9.023 4.840 -5.831 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.423 4.364 -6.914 1.00 0.00 O ATOM 866 OE2 GLU A 53 7.966 5.496 -5.720 1.00 0.00 O ATOM 0 H GLU A 53 10.241 3.065 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 53 8.165 4.599 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.387 2.845 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.988 2.662 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.751 5.461 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.913 4.558 -4.870 1.00 0.00 H new ATOM 873 N VAL A 54 6.404 2.858 -1.857 1.00 0.00 N ATOM 874 CA VAL A 54 5.245 1.991 -1.763 1.00 0.00 C ATOM 875 C VAL A 54 4.317 2.156 -2.951 1.00 0.00 C ATOM 876 O VAL A 54 3.345 2.906 -2.888 1.00 0.00 O ATOM 877 CB VAL A 54 4.440 2.259 -0.484 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.401 1.168 -0.284 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.361 2.374 0.719 1.00 0.00 C ATOM 0 H VAL A 54 6.375 3.668 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 54 5.635 0.973 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 54 3.919 3.211 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.835 1.367 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.723 1.151 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.899 0.202 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.769 2.564 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.917 1.444 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.060 3.196 0.565 1.00 0.00 H new ATOM 889 N VAL A 55 4.619 1.467 -4.036 1.00 0.00 N ATOM 890 CA VAL A 55 3.777 1.529 -5.211 1.00 0.00 C ATOM 891 C VAL A 55 2.561 0.647 -4.998 1.00 0.00 C ATOM 892 O VAL A 55 2.520 -0.506 -5.425 1.00 0.00 O ATOM 893 CB VAL A 55 4.511 1.078 -6.476 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.642 1.327 -7.697 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.849 1.792 -6.602 1.00 0.00 C ATOM 0 H VAL A 55 5.436 0.863 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 55 3.483 2.569 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 55 4.710 0.008 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.172 1.003 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.712 0.766 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.417 2.391 -7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.356 1.458 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.684 2.868 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.467 1.562 -5.734 1.00 0.00 H new ATOM 905 N CYS A 56 1.583 1.206 -4.314 1.00 0.00 N ATOM 906 CA CYS A 56 0.358 0.491 -3.994 1.00 0.00 C ATOM 907 C CYS A 56 -0.726 0.767 -5.022 1.00 0.00 C ATOM 908 O CYS A 56 -0.893 1.897 -5.481 1.00 0.00 O ATOM 909 CB CYS A 56 -0.136 0.882 -2.600 1.00 0.00 C ATOM 910 SG CYS A 56 -1.706 0.117 -2.132 1.00 0.00 S ATOM 0 H CYS A 56 1.612 2.164 -3.965 1.00 0.00 H new ATOM 0 HA CYS A 56 0.581 -0.576 -4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.623 0.607 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.245 1.966 -2.555 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.039 0.506 -0.937 1.00 0.00 H new ATOM 916 N LYS A 57 -1.460 -0.278 -5.375 1.00 0.00 N ATOM 917 CA LYS A 57 -2.536 -0.163 -6.339 1.00 0.00 C ATOM 918 C LYS A 57 -3.785 -0.850 -5.814 1.00 0.00 C ATOM 919 O LYS A 57 -3.851 -2.080 -5.739 1.00 0.00 O ATOM 920 CB LYS A 57 -2.132 -0.780 -7.673 1.00 0.00 C ATOM 921 CG LYS A 57 -0.716 -0.431 -8.103 1.00 0.00 C ATOM 922 CD LYS A 57 -0.357 -1.088 -9.426 1.00 0.00 C ATOM 923 CE LYS A 57 1.069 -0.762 -9.841 1.00 0.00 C ATOM 924 NZ LYS A 57 2.062 -1.244 -8.842 1.00 0.00 N ATOM 0 H LYS A 57 -1.326 -1.219 -5.004 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.745 0.896 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.225 -1.864 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.829 -0.448 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.619 0.651 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.012 -0.750 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.474 -2.168 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.048 -0.752 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.278 -1.217 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.173 0.316 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.009 -0.900 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.808 -0.885 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.063 -2.284 -8.828 1.00 0.00 H new ATOM 938 N TYR A 58 -4.763 -0.046 -5.443 1.00 0.00 N ATOM 939 CA TYR A 58 -6.021 -0.560 -4.928 1.00 0.00 C ATOM 940 C TYR A 58 -6.895 -1.018 -6.092 1.00 0.00 C ATOM 941 O TYR A 58 -7.353 -0.202 -6.893 1.00 0.00 O ATOM 942 CB TYR A 58 -6.731 0.518 -4.098 1.00 0.00 C ATOM 943 CG TYR A 58 -7.883 0.008 -3.262 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.854 -0.826 -3.811 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.010 0.373 -1.925 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.912 -1.286 -3.058 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.073 -0.082 -1.168 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.018 -0.912 -1.738 1.00 0.00 C ATOM 949 OH TYR A 58 -11.075 -1.361 -0.980 1.00 0.00 O ATOM 0 H TYR A 58 -4.711 0.972 -5.489 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.829 -1.413 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.002 0.990 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.101 1.291 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.776 -1.118 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.270 1.018 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.653 -1.935 -3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.164 0.211 -0.133 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.999 -1.005 -0.070 1.00 0.00 H new ATOM 959 N THR A 59 -7.123 -2.325 -6.180 1.00 0.00 N ATOM 960 CA THR A 59 -7.925 -2.889 -7.261 1.00 0.00 C ATOM 961 C THR A 59 -9.235 -3.481 -6.753 1.00 0.00 C ATOM 962 O THR A 59 -9.236 -4.494 -6.057 1.00 0.00 O ATOM 963 CB THR A 59 -7.153 -3.990 -8.008 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.857 -3.510 -8.388 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.912 -4.442 -9.246 1.00 0.00 C ATOM 0 H THR A 59 -6.765 -3.012 -5.517 1.00 0.00 H new ATOM 0 HA THR A 59 -8.146 -2.064 -7.938 1.00 0.00 H new ATOM 0 HB THR A 59 -7.044 -4.842 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.372 -4.218 -8.861 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.345 -5.221 -9.756 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.885 -4.835 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.050 -3.595 -9.918 1.00 0.00 H new ATOM 973 N PRO A 60 -10.371 -2.848 -7.092 1.00 0.00 N ATOM 974 CA PRO A 60 -11.689 -3.302 -6.707 1.00 0.00 C ATOM 975 C PRO A 60 -12.386 -4.020 -7.860 1.00 0.00 C ATOM 976 O PRO A 60 -12.920 -3.380 -8.766 1.00 0.00 O ATOM 977 CB PRO A 60 -12.376 -1.978 -6.397 1.00 0.00 C ATOM 978 CG PRO A 60 -11.771 -1.001 -7.362 1.00 0.00 C ATOM 979 CD PRO A 60 -10.478 -1.603 -7.858 1.00 0.00 C ATOM 0 HA PRO A 60 -11.693 -4.018 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.455 -2.051 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.203 -1.674 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.450 -0.811 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.587 -0.043 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.508 -1.792 -8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.630 -0.943 -7.674 1.00 0.00 H new ATOM 987 N THR A 61 -12.368 -5.348 -7.835 1.00 0.00 N ATOM 988 CA THR A 61 -12.989 -6.134 -8.895 1.00 0.00 C ATOM 989 C THR A 61 -14.037 -7.095 -8.334 1.00 0.00 C ATOM 990 O THR A 61 -13.809 -7.739 -7.312 1.00 0.00 O ATOM 991 CB THR A 61 -11.937 -6.943 -9.674 1.00 0.00 C ATOM 992 OG1 THR A 61 -10.723 -6.191 -9.787 1.00 0.00 O ATOM 993 CG2 THR A 61 -12.438 -7.304 -11.065 1.00 0.00 C ATOM 0 H THR A 61 -11.933 -5.901 -7.096 1.00 0.00 H new ATOM 0 HA THR A 61 -13.475 -5.428 -9.569 1.00 0.00 H new ATOM 0 HB THR A 61 -11.750 -7.864 -9.123 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.059 -6.714 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.673 -7.875 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.344 -7.903 -10.981 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.656 -6.392 -11.621 1.00 0.00 H new ATOM 1001 N PRO A 62 -15.202 -7.204 -9.000 1.00 0.00 N ATOM 1002 CA PRO A 62 -16.286 -8.095 -8.572 1.00 0.00 C ATOM 1003 C PRO A 62 -15.796 -9.513 -8.300 1.00 0.00 C ATOM 1004 O PRO A 62 -15.065 -10.093 -9.104 1.00 0.00 O ATOM 1005 CB PRO A 62 -17.262 -8.086 -9.759 1.00 0.00 C ATOM 1006 CG PRO A 62 -16.534 -7.406 -10.874 1.00 0.00 C ATOM 1007 CD PRO A 62 -15.560 -6.476 -10.221 1.00 0.00 C ATOM 0 HA PRO A 62 -16.735 -7.761 -7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.548 -9.100 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -18.179 -7.554 -9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -16.019 -8.131 -11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.225 -6.860 -11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.691 -6.289 -10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.008 -5.507 -10.000 1.00 0.00 H new ATOM 1015 N SER A 63 -16.204 -10.067 -7.162 1.00 0.00 N ATOM 1016 CA SER A 63 -15.809 -11.420 -6.785 1.00 0.00 C ATOM 1017 C SER A 63 -16.473 -12.450 -7.694 1.00 0.00 C ATOM 1018 O SER A 63 -17.189 -12.095 -8.630 1.00 0.00 O ATOM 1019 CB SER A 63 -16.177 -11.692 -5.325 1.00 0.00 C ATOM 1020 OG SER A 63 -15.686 -12.951 -4.899 1.00 0.00 O ATOM 0 H SER A 63 -16.808 -9.600 -6.485 1.00 0.00 H new ATOM 0 HA SER A 63 -14.728 -11.505 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.767 -10.906 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.260 -11.663 -5.209 1.00 0.00 H new ATOM 0 HG SER A 63 -15.934 -13.099 -3.962 1.00 0.00 H new ATOM 1026 N SER A 64 -16.232 -13.726 -7.412 1.00 0.00 N ATOM 1027 CA SER A 64 -16.805 -14.805 -8.208 1.00 0.00 C ATOM 1028 C SER A 64 -18.100 -15.321 -7.587 1.00 0.00 C ATOM 1029 O SER A 64 -18.815 -16.116 -8.198 1.00 0.00 O ATOM 1030 CB SER A 64 -15.802 -15.951 -8.348 1.00 0.00 C ATOM 1031 OG SER A 64 -15.445 -16.476 -7.080 1.00 0.00 O ATOM 0 H SER A 64 -15.644 -14.038 -6.639 1.00 0.00 H new ATOM 0 HA SER A 64 -17.035 -14.406 -9.196 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.232 -16.741 -8.964 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.909 -15.596 -8.862 1.00 0.00 H new ATOM 0 HG SER A 64 -14.804 -17.208 -7.198 1.00 0.00 H new ATOM 1037 N THR A 65 -18.398 -14.869 -6.372 1.00 0.00 N ATOM 1038 CA THR A 65 -19.607 -15.294 -5.680 1.00 0.00 C ATOM 1039 C THR A 65 -20.729 -14.268 -5.824 1.00 0.00 C ATOM 1040 O THR A 65 -20.473 -13.073 -5.976 1.00 0.00 O ATOM 1041 CB THR A 65 -19.351 -15.535 -4.183 1.00 0.00 C ATOM 1042 OG1 THR A 65 -18.808 -14.353 -3.581 1.00 0.00 O ATOM 1043 CG2 THR A 65 -18.395 -16.701 -3.977 1.00 0.00 C ATOM 0 H THR A 65 -17.820 -14.211 -5.849 1.00 0.00 H new ATOM 0 HA THR A 65 -19.911 -16.230 -6.149 1.00 0.00 H new ATOM 0 HB THR A 65 -20.302 -15.779 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 65 -18.650 -14.515 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 65 -18.230 -16.852 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.825 -17.605 -4.409 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.445 -16.483 -4.464 1.00 0.00 H new ATOM 1051 N PRO A 66 -21.990 -14.731 -5.776 1.00 0.00 N ATOM 1052 CA PRO A 66 -23.169 -13.862 -5.894 1.00 0.00 C ATOM 1053 C PRO A 66 -23.502 -13.144 -4.591 1.00 0.00 C ATOM 1054 O PRO A 66 -24.669 -12.890 -4.293 1.00 0.00 O ATOM 1055 CB PRO A 66 -24.272 -14.856 -6.238 1.00 0.00 C ATOM 1056 CG PRO A 66 -23.870 -16.085 -5.501 1.00 0.00 C ATOM 1057 CD PRO A 66 -22.375 -16.149 -5.619 1.00 0.00 C ATOM 0 HA PRO A 66 -23.025 -13.066 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -25.250 -14.497 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -24.333 -15.033 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -24.180 -16.036 -4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -24.336 -16.971 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.920 -16.595 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.063 -16.748 -6.474 1.00 0.00 H new ATOM 1065 N MET A 67 -22.474 -12.815 -3.825 1.00 0.00 N ATOM 1066 CA MET A 67 -22.660 -12.133 -2.549 1.00 0.00 C ATOM 1067 C MET A 67 -21.753 -10.911 -2.454 1.00 0.00 C ATOM 1068 O MET A 67 -21.791 -10.167 -1.473 1.00 0.00 O ATOM 1069 CB MET A 67 -22.373 -13.095 -1.392 1.00 0.00 C ATOM 1070 CG MET A 67 -22.733 -12.535 -0.026 1.00 0.00 C ATOM 1071 SD MET A 67 -22.408 -13.701 1.311 1.00 0.00 S ATOM 1072 CE MET A 67 -20.635 -13.907 1.161 1.00 0.00 C ATOM 0 H MET A 67 -21.501 -13.008 -4.063 1.00 0.00 H new ATOM 0 HA MET A 67 -23.695 -11.798 -2.484 1.00 0.00 H new ATOM 0 HB2 MET A 67 -22.928 -14.019 -1.554 1.00 0.00 H new ATOM 0 HB3 MET A 67 -21.314 -13.354 -1.401 1.00 0.00 H new ATOM 0 HG2 MET A 67 -22.166 -11.621 0.149 1.00 0.00 H new ATOM 0 HG3 MET A 67 -23.788 -12.262 -0.016 1.00 0.00 H new ATOM 0 HE1 MET A 67 -20.233 -14.295 2.097 1.00 0.00 H new ATOM 0 HE2 MET A 67 -20.417 -14.607 0.355 1.00 0.00 H new ATOM 0 HE3 MET A 67 -20.174 -12.944 0.940 1.00 0.00 H new ATOM 1082 N VAL A 68 -20.943 -10.706 -3.485 1.00 0.00 N ATOM 1083 CA VAL A 68 -20.021 -9.580 -3.521 1.00 0.00 C ATOM 1084 C VAL A 68 -20.176 -8.782 -4.813 1.00 0.00 C ATOM 1085 O VAL A 68 -20.198 -9.350 -5.905 1.00 0.00 O ATOM 1086 CB VAL A 68 -18.563 -10.057 -3.389 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -17.592 -8.905 -3.599 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -18.338 -10.714 -2.036 1.00 0.00 C ATOM 0 H VAL A 68 -20.907 -11.307 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 68 -20.265 -8.936 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.376 -10.798 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.569 -9.269 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.734 -8.487 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.776 -8.133 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.302 -11.045 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.549 -9.996 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -19.002 -11.573 -1.934 1.00 0.00 H new ATOM 1098 N GLY A 69 -20.281 -7.463 -4.678 1.00 0.00 N ATOM 1099 CA GLY A 69 -20.431 -6.607 -5.840 1.00 0.00 C ATOM 1100 C GLY A 69 -19.100 -6.268 -6.483 1.00 0.00 C ATOM 1101 O GLY A 69 -18.893 -6.527 -7.667 1.00 0.00 O ATOM 0 H GLY A 69 -20.265 -6.972 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -21.070 -7.101 -6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.935 -5.686 -5.547 1.00 0.00 H new ATOM 1105 N VAL A 70 -18.198 -5.687 -5.697 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.877 -5.312 -6.190 1.00 0.00 C ATOM 1107 C VAL A 70 -15.819 -5.534 -5.114 1.00 0.00 C ATOM 1108 O VAL A 70 -15.439 -4.606 -4.399 1.00 0.00 O ATOM 1109 CB VAL A 70 -16.834 -3.836 -6.645 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -15.463 -3.484 -7.202 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -17.918 -3.560 -7.676 1.00 0.00 C ATOM 0 H VAL A 70 -18.359 -5.466 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.666 -5.947 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 70 -17.021 -3.206 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.455 -2.440 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.707 -3.637 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.243 -4.122 -8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.870 -2.515 -7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.766 -4.201 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.896 -3.766 -7.240 1.00 0.00 H new ATOM 1121 N GLY A 71 -15.358 -6.776 -4.993 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.351 -7.100 -3.998 1.00 0.00 C ATOM 1123 C GLY A 71 -13.047 -7.569 -4.611 1.00 0.00 C ATOM 1124 O GLY A 71 -12.934 -8.712 -5.052 1.00 0.00 O ATOM 0 H GLY A 71 -15.664 -7.563 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.162 -6.222 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.736 -7.877 -3.338 1.00 0.00 H new ATOM 1128 N GLY A 72 -12.059 -6.682 -4.632 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.764 -7.019 -5.193 1.00 0.00 C ATOM 1130 C GLY A 72 -9.718 -7.230 -4.120 1.00 0.00 C ATOM 1131 O GLY A 72 -9.953 -7.957 -3.154 1.00 0.00 O ATOM 0 H GLY A 72 -12.132 -5.732 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.854 -7.924 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.441 -6.222 -5.863 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.562 -6.595 -4.284 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.490 -6.718 -3.312 1.00 0.00 C ATOM 1137 C ILE A 73 -6.683 -5.433 -3.222 1.00 0.00 C ATOM 1138 O ILE A 73 -7.096 -4.385 -3.722 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.523 -7.872 -3.638 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.913 -7.710 -5.026 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.207 -9.220 -3.503 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.550 -8.356 -5.141 1.00 0.00 C ATOM 0 H ILE A 73 -8.347 -5.993 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.977 -6.928 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.713 -7.833 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.582 -8.148 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.829 -6.649 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.498 -10.013 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.564 -9.346 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.051 -9.270 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.162 -8.211 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.870 -7.901 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.635 -9.423 -4.935 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.527 -5.525 -2.578 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.645 -4.384 -2.408 1.00 0.00 C ATOM 1156 C TYR A 74 -3.205 -4.783 -2.723 1.00 0.00 C ATOM 1157 O TYR A 74 -2.526 -5.390 -1.894 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.756 -3.861 -0.975 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.152 -3.987 -0.396 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.573 -5.166 0.207 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.050 -2.928 -0.453 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.842 -5.287 0.735 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.323 -3.046 0.076 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.712 -4.226 0.668 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.979 -4.343 1.194 1.00 0.00 O ATOM 0 H TYR A 74 -5.178 -6.388 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.940 -3.592 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.057 -4.407 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.455 -2.814 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.894 -6.004 0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.750 -2.000 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.150 -6.212 1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.010 -2.214 0.024 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.466 -3.502 1.065 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.751 -4.450 -3.930 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.396 -4.782 -4.360 1.00 0.00 C ATOM 1177 C VAL A 75 -0.407 -3.721 -3.902 1.00 0.00 C ATOM 1178 O VAL A 75 -0.310 -2.648 -4.495 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.309 -4.929 -5.893 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.137 -5.112 -6.337 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.165 -6.092 -6.367 1.00 0.00 C ATOM 0 H VAL A 75 -3.303 -3.950 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.141 -5.737 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.691 -4.014 -6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.174 -5.214 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.723 -4.245 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.549 -6.009 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.091 -6.180 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.815 -7.014 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.204 -5.917 -6.087 1.00 0.00 H new ATOM 1191 N VAL A 76 0.331 -4.031 -2.846 1.00 0.00 N ATOM 1192 CA VAL A 76 1.306 -3.095 -2.301 1.00 0.00 C ATOM 1193 C VAL A 76 2.740 -3.484 -2.655 1.00 0.00 C ATOM 1194 O VAL A 76 3.205 -4.569 -2.302 1.00 0.00 O ATOM 1195 CB VAL A 76 1.187 -2.998 -0.768 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.130 -1.934 -0.229 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.249 -2.709 -0.356 1.00 0.00 C ATOM 0 H VAL A 76 0.274 -4.921 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 76 1.083 -2.128 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 76 1.473 -3.958 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.034 -1.878 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.157 -2.192 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.877 -0.968 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.310 -2.645 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.570 -1.764 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.897 -3.511 -0.709 1.00 0.00 H new ATOM 1207 N LEU A 77 3.433 -2.591 -3.361 1.00 0.00 N ATOM 1208 CA LEU A 77 4.825 -2.815 -3.735 1.00 0.00 C ATOM 1209 C LEU A 77 5.722 -1.877 -2.949 1.00 0.00 C ATOM 1210 O LEU A 77 5.894 -0.718 -3.314 1.00 0.00 O ATOM 1211 CB LEU A 77 5.038 -2.594 -5.233 1.00 0.00 C ATOM 1212 CG LEU A 77 4.360 -3.622 -6.141 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.632 -3.303 -7.603 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.835 -5.026 -5.802 1.00 0.00 C ATOM 0 H LEU A 77 3.049 -1.703 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 77 5.078 -3.850 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.670 -1.602 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.109 -2.601 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 77 3.284 -3.574 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.142 -4.044 -8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.243 -2.312 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.706 -3.323 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.343 -5.745 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.914 -5.088 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.589 -5.253 -4.765 1.00 0.00 H new ATOM 1226 N VAL A 78 6.302 -2.381 -1.875 1.00 0.00 N ATOM 1227 CA VAL A 78 7.159 -1.560 -1.035 1.00 0.00 C ATOM 1228 C VAL A 78 8.618 -1.667 -1.464 1.00 0.00 C ATOM 1229 O VAL A 78 9.288 -2.664 -1.193 1.00 0.00 O ATOM 1230 CB VAL A 78 7.021 -1.937 0.453 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.647 -0.711 1.281 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.994 -3.044 0.639 1.00 0.00 C ATOM 0 H VAL A 78 6.198 -3.347 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 78 6.833 -0.528 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 78 7.984 -2.309 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.553 -0.995 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.423 0.048 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.697 -0.309 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.915 -3.293 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.025 -2.707 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.306 -3.927 0.081 1.00 0.00 H new ATOM 1242 N LYS A 79 9.097 -0.628 -2.147 1.00 0.00 N ATOM 1243 CA LYS A 79 10.474 -0.588 -2.630 1.00 0.00 C ATOM 1244 C LYS A 79 11.325 0.373 -1.800 1.00 0.00 C ATOM 1245 O LYS A 79 11.219 1.588 -1.950 1.00 0.00 O ATOM 1246 CB LYS A 79 10.505 -0.165 -4.099 1.00 0.00 C ATOM 1247 CG LYS A 79 10.406 -1.332 -5.068 1.00 0.00 C ATOM 1248 CD LYS A 79 10.564 -0.880 -6.512 1.00 0.00 C ATOM 1249 CE LYS A 79 9.308 -0.197 -7.037 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.098 1.143 -6.424 1.00 0.00 N ATOM 0 H LYS A 79 8.548 0.200 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 79 10.892 -1.590 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.682 0.525 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.429 0.380 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.174 -2.068 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.442 -1.826 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.408 -0.194 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.797 -1.741 -7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.379 -0.092 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.442 -0.827 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.712 1.794 -7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.429 1.061 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.006 1.511 -6.074 1.00 0.00 H new ATOM 1264 N PRO A 80 12.184 -0.162 -0.914 1.00 0.00 N ATOM 1265 CA PRO A 80 13.054 0.661 -0.063 1.00 0.00 C ATOM 1266 C PRO A 80 13.902 1.643 -0.868 1.00 0.00 C ATOM 1267 O PRO A 80 14.957 1.287 -1.393 1.00 0.00 O ATOM 1268 CB PRO A 80 13.944 -0.366 0.643 1.00 0.00 C ATOM 1269 CG PRO A 80 13.171 -1.638 0.603 1.00 0.00 C ATOM 1270 CD PRO A 80 12.369 -1.602 -0.665 1.00 0.00 C ATOM 0 HA PRO A 80 12.477 1.284 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.903 -0.471 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.156 -0.065 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.839 -2.500 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.520 -1.725 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.896 -2.087 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.414 -2.116 -0.551 1.00 0.00 H new ATOM 1278 N ARG A 81 13.426 2.880 -0.965 1.00 0.00 N ATOM 1279 CA ARG A 81 14.129 3.924 -1.701 1.00 0.00 C ATOM 1280 C ARG A 81 15.472 4.252 -1.056 1.00 0.00 C ATOM 1281 O ARG A 81 16.474 4.437 -1.747 1.00 0.00 O ATOM 1282 CB ARG A 81 13.268 5.184 -1.769 1.00 0.00 C ATOM 1283 CG ARG A 81 12.884 5.580 -3.180 1.00 0.00 C ATOM 1284 CD ARG A 81 11.966 6.791 -3.182 1.00 0.00 C ATOM 1285 NE ARG A 81 11.592 7.192 -4.536 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.136 8.401 -4.849 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.004 9.327 -3.909 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.815 8.685 -6.104 1.00 0.00 N ATOM 0 H ARG A 81 12.550 3.185 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 81 14.318 3.554 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.361 5.026 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.808 6.009 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.783 5.801 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.388 4.744 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.066 6.565 -2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.462 7.623 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 81 11.686 6.505 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.253 9.112 -2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.654 10.254 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.918 7.976 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.465 9.613 -6.343 1.00 0.00 H new ATOM 1302 N LYS A 82 15.485 4.324 0.271 1.00 0.00 N ATOM 1303 CA LYS A 82 16.703 4.643 1.006 1.00 0.00 C ATOM 1304 C LYS A 82 17.173 3.448 1.831 1.00 0.00 C ATOM 1305 O LYS A 82 16.484 2.432 1.918 1.00 0.00 O ATOM 1306 CB LYS A 82 16.468 5.847 1.920 1.00 0.00 C ATOM 1307 CG LYS A 82 15.898 7.058 1.198 1.00 0.00 C ATOM 1308 CD LYS A 82 15.802 8.262 2.119 1.00 0.00 C ATOM 1309 CE LYS A 82 15.250 9.477 1.390 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.194 10.676 2.271 1.00 0.00 N ATOM 0 H LYS A 82 14.666 4.166 0.859 1.00 0.00 H new ATOM 0 HA LYS A 82 17.481 4.888 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.787 5.558 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.411 6.125 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.528 7.302 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.909 6.818 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.161 8.023 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.788 8.494 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.873 9.693 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.250 9.253 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.216 11.026 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.518 10.421 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.809 11.420 1.884 1.00 0.00 H new ATOM 1324 N ARG A 83 18.352 3.578 2.430 1.00 0.00 N ATOM 1325 CA ARG A 83 18.917 2.514 3.250 1.00 0.00 C ATOM 1326 C ARG A 83 18.987 2.935 4.714 1.00 0.00 C ATOM 1327 O ARG A 83 19.820 3.759 5.094 1.00 0.00 O ATOM 1328 CB ARG A 83 20.311 2.149 2.742 1.00 0.00 C ATOM 1329 CG ARG A 83 20.342 1.798 1.266 1.00 0.00 C ATOM 1330 CD ARG A 83 21.763 1.580 0.782 1.00 0.00 C ATOM 1331 NE ARG A 83 22.354 0.368 1.341 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.477 -0.182 0.888 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.128 0.370 -0.127 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.950 -1.285 1.452 1.00 0.00 N ATOM 0 H ARG A 83 18.935 4.412 2.362 1.00 0.00 H new ATOM 0 HA ARG A 83 18.268 1.641 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.986 2.985 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.689 1.304 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.754 0.897 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.878 2.598 0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.769 1.517 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.374 2.440 1.055 1.00 0.00 H new ATOM 0 HE ARG A 83 21.879 -0.083 2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 83 23.768 1.219 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 83 24.989 -0.054 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.453 -1.712 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.811 -1.707 1.104 1.00 0.00 H new ATOM 1348 N GLY A 84 18.107 2.367 5.531 1.00 0.00 N ATOM 1349 CA GLY A 84 18.083 2.696 6.945 1.00 0.00 C ATOM 1350 C GLY A 84 16.880 2.109 7.656 1.00 0.00 C ATOM 1351 O GLY A 84 16.661 0.899 7.621 1.00 0.00 O ATOM 0 H GLY A 84 17.408 1.683 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.995 2.328 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.078 3.780 7.063 1.00 0.00 H new ATOM 1355 N HIS A 85 16.099 2.969 8.304 1.00 0.00 N ATOM 1356 CA HIS A 85 14.911 2.527 9.026 1.00 0.00 C ATOM 1357 C HIS A 85 13.644 2.850 8.240 1.00 0.00 C ATOM 1358 O HIS A 85 13.149 3.977 8.274 1.00 0.00 O ATOM 1359 CB HIS A 85 14.850 3.185 10.406 1.00 0.00 C ATOM 1360 CG HIS A 85 16.032 2.872 11.271 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.073 3.754 11.472 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.333 1.766 11.992 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.963 3.203 12.279 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.538 1.998 12.609 1.00 0.00 N ATOM 0 H HIS A 85 16.267 3.974 8.344 1.00 0.00 H new ATOM 0 HA HIS A 85 14.975 1.446 9.150 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.777 4.265 10.281 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.942 2.861 10.914 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.737 0.869 12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.882 3.661 12.612 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.025 1.345 13.223 1.00 0.00 H new ATOM 1373 N HIS A 86 13.131 1.852 7.530 1.00 0.00 N ATOM 1374 CA HIS A 86 11.921 2.021 6.731 1.00 0.00 C ATOM 1375 C HIS A 86 10.791 1.153 7.273 1.00 0.00 C ATOM 1376 O HIS A 86 11.036 0.168 7.970 1.00 0.00 O ATOM 1377 CB HIS A 86 12.193 1.659 5.270 1.00 0.00 C ATOM 1378 CG HIS A 86 13.248 2.501 4.620 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.335 3.007 5.299 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.375 2.923 3.341 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.084 3.707 4.466 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.524 3.672 3.271 1.00 0.00 N ATOM 0 H HIS A 86 13.534 0.916 7.491 1.00 0.00 H new ATOM 0 HA HIS A 86 11.620 3.067 6.790 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.493 0.613 5.215 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.266 1.755 4.704 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.531 2.864 6.290 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.699 2.710 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.999 4.221 4.720 1.00 0.00 H new ATOM 1391 N THR A 87 9.554 1.520 6.947 1.00 0.00 N ATOM 1392 CA THR A 87 8.394 0.766 7.408 1.00 0.00 C ATOM 1393 C THR A 87 7.163 1.048 6.548 1.00 0.00 C ATOM 1394 O THR A 87 7.027 2.129 5.976 1.00 0.00 O ATOM 1395 CB THR A 87 8.059 1.095 8.872 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.216 0.912 9.698 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.933 0.207 9.372 1.00 0.00 C ATOM 0 H THR A 87 9.331 2.330 6.369 1.00 0.00 H new ATOM 0 HA THR A 87 8.657 -0.288 7.324 1.00 0.00 H new ATOM 0 HB THR A 87 7.740 2.136 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.027 0.234 10.380 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.709 0.453 10.410 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.045 0.367 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.236 -0.838 9.304 1.00 0.00 H new ATOM 1405 N LEU A 88 6.265 0.067 6.470 1.00 0.00 N ATOM 1406 CA LEU A 88 5.045 0.203 5.685 1.00 0.00 C ATOM 1407 C LEU A 88 3.812 0.124 6.577 1.00 0.00 C ATOM 1408 O LEU A 88 3.288 -0.959 6.835 1.00 0.00 O ATOM 1409 CB LEU A 88 4.977 -0.888 4.619 1.00 0.00 C ATOM 1410 CG LEU A 88 3.666 -0.942 3.831 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.527 0.285 2.948 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.597 -2.212 3.000 1.00 0.00 C ATOM 0 H LEU A 88 6.362 -0.831 6.943 1.00 0.00 H new ATOM 0 HA LEU A 88 5.064 1.180 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.799 -0.742 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.135 -1.854 5.099 1.00 0.00 H new ATOM 0 HG LEU A 88 2.837 -0.951 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.589 0.231 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.531 1.182 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.360 0.325 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.658 -2.234 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.432 -2.234 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.651 -3.080 3.657 1.00 0.00 H new ATOM 1424 N GLU A 89 3.360 1.276 7.050 1.00 0.00 N ATOM 1425 CA GLU A 89 2.192 1.342 7.911 1.00 0.00 C ATOM 1426 C GLU A 89 0.895 1.175 7.131 1.00 0.00 C ATOM 1427 O GLU A 89 0.388 2.128 6.544 1.00 0.00 O ATOM 1428 CB GLU A 89 2.175 2.671 8.653 1.00 0.00 C ATOM 1429 CG GLU A 89 3.196 2.739 9.762 1.00 0.00 C ATOM 1430 CD GLU A 89 3.245 4.097 10.435 1.00 0.00 C ATOM 1431 OE1 GLU A 89 2.499 4.301 11.416 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.028 4.958 9.980 1.00 0.00 O ATOM 0 H GLU A 89 3.787 2.180 6.850 1.00 0.00 H new ATOM 0 HA GLU A 89 2.260 0.517 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.361 3.479 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.182 2.835 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.967 1.978 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.181 2.503 9.358 1.00 0.00 H new ATOM 1439 N LEU A 90 0.364 -0.043 7.128 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.892 -0.322 6.444 1.00 0.00 C ATOM 1441 C LEU A 90 -1.997 -0.561 7.465 1.00 0.00 C ATOM 1442 O LEU A 90 -1.811 -1.301 8.432 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.762 -1.531 5.516 1.00 0.00 C ATOM 1444 CG LEU A 90 0.066 -1.297 4.249 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.137 -2.570 3.420 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.519 -0.158 3.427 1.00 0.00 C ATOM 0 H LEU A 90 0.783 -0.850 7.590 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.146 0.544 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.314 -2.352 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.761 -1.853 5.223 1.00 0.00 H new ATOM 0 HG LEU A 90 1.077 -1.019 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.729 -2.388 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.603 -3.361 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.870 -2.875 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.084 -0.008 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.541 -0.405 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.520 0.756 4.021 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.143 0.069 7.246 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.273 -0.066 8.156 1.00 0.00 C ATOM 1460 C VAL A 91 -5.588 -0.230 7.401 1.00 0.00 C ATOM 1461 O VAL A 91 -5.661 -0.004 6.187 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.405 1.167 9.070 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -3.881 0.867 10.466 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.700 2.370 8.457 1.00 0.00 C ATOM 0 H VAL A 91 -3.315 0.679 6.446 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.077 -0.957 8.753 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.463 1.413 9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.985 1.753 11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.452 0.047 10.900 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.830 0.586 10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.806 3.230 9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.642 2.143 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.147 2.600 7.490 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.622 -0.625 8.139 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.958 -0.796 7.583 1.00 0.00 C ATOM 1476 C TYR A 92 -8.838 0.355 8.060 1.00 0.00 C ATOM 1477 O TYR A 92 -9.482 0.263 9.104 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.543 -2.142 8.023 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.614 -2.695 7.105 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.500 -2.590 5.722 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.734 -3.333 7.622 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.473 -3.103 4.886 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.710 -3.850 6.792 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.575 -3.733 5.425 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.545 -4.246 4.594 1.00 0.00 O ATOM 0 H TYR A 92 -6.556 -0.834 9.135 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.912 -0.789 6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.734 -2.869 8.095 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.962 -2.032 9.023 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.637 -2.100 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.844 -3.427 8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.371 -3.011 3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.574 -4.343 7.212 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.253 -4.658 5.132 1.00 0.00 H new ATOM 1495 N THR A 93 -8.846 1.445 7.296 1.00 0.00 N ATOM 1496 CA THR A 93 -9.604 2.640 7.662 1.00 0.00 C ATOM 1497 C THR A 93 -10.683 2.994 6.648 1.00 0.00 C ATOM 1498 O THR A 93 -10.730 2.443 5.559 1.00 0.00 O ATOM 1499 CB THR A 93 -8.665 3.847 7.776 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.416 5.030 8.067 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.898 4.036 6.478 1.00 0.00 C ATOM 0 H THR A 93 -8.335 1.526 6.417 1.00 0.00 H new ATOM 0 HA THR A 93 -10.082 2.411 8.615 1.00 0.00 H new ATOM 0 HB THR A 93 -7.959 3.664 8.586 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.993 4.869 8.843 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.234 4.896 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.309 3.143 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.600 4.205 5.662 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.537 3.942 7.020 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.604 4.404 6.143 1.00 0.00 C ATOM 1511 C ARG A 94 -12.226 5.749 5.521 1.00 0.00 C ATOM 1512 O ARG A 94 -12.426 6.796 6.136 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.916 4.544 6.919 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.408 3.241 7.526 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.746 3.421 8.223 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.784 3.881 7.305 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.051 4.076 7.660 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.435 3.851 8.910 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.935 4.497 6.766 1.00 0.00 N ATOM 0 H ARG A 94 -11.509 4.406 7.928 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.742 3.667 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.781 5.277 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.683 4.936 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.502 2.487 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.672 2.870 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.051 2.475 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.637 4.139 9.036 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.523 4.063 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.758 3.528 9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.407 4.001 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.644 4.672 5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.906 4.646 7.040 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.657 5.735 4.300 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.245 6.955 3.600 1.00 0.00 C ATOM 1535 C PRO A 95 -12.264 8.086 3.721 1.00 0.00 C ATOM 1536 O PRO A 95 -11.898 9.255 3.830 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.128 6.487 2.153 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.695 5.066 2.267 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.365 4.525 3.502 1.00 0.00 C ATOM 0 HA PRO A 95 -10.327 7.375 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.079 6.573 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.402 7.082 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.987 4.497 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.610 4.994 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.275 3.978 3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.715 3.837 4.042 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.543 7.728 3.701 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.614 8.706 3.807 1.00 0.00 C ATOM 1549 C PHE A 96 -14.699 9.285 5.219 1.00 0.00 C ATOM 1550 O PHE A 96 -14.909 10.485 5.393 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.951 8.068 3.424 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.838 6.664 2.900 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.427 6.427 1.598 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.142 5.582 3.711 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.321 5.138 1.114 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -16.038 4.290 3.233 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.626 4.068 1.932 1.00 0.00 C ATOM 0 H PHE A 96 -13.862 6.763 3.612 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.393 9.521 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.603 8.066 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.433 8.688 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.187 7.260 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.464 5.751 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.000 4.967 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.278 3.455 3.874 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.543 3.059 1.556 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.534 8.426 6.221 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.598 8.857 7.616 1.00 0.00 C ATOM 1569 C GLU A 97 -13.214 9.208 8.154 1.00 0.00 C ATOM 1570 O GLU A 97 -12.853 10.380 8.254 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.226 7.761 8.483 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.637 7.384 8.060 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.601 8.551 8.140 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.214 8.743 9.211 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.743 9.274 7.132 1.00 0.00 O ATOM 0 H GLU A 97 -14.355 7.430 6.095 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.219 9.752 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.595 6.873 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.244 8.095 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.617 7.004 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.999 6.575 8.694 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.445 8.180 8.498 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.112 8.386 9.033 1.00 0.00 C ATOM 1584 C GLY A 98 -10.549 7.127 9.644 1.00 0.00 C ATOM 1585 O GLY A 98 -11.215 6.093 9.683 1.00 0.00 O ATOM 0 H GLY A 98 -12.724 7.202 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.451 8.730 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.141 9.173 9.786 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.320 7.215 10.125 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.655 6.071 10.720 1.00 0.00 C ATOM 1591 C ILE A 99 -8.854 6.029 12.227 1.00 0.00 C ATOM 1592 O ILE A 99 -9.060 7.060 12.867 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.157 6.085 10.403 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.935 6.557 8.964 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.565 4.699 10.619 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.495 6.892 8.659 1.00 0.00 C ATOM 0 H ILE A 99 -8.763 8.069 10.114 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.106 5.178 10.287 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.652 6.779 11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.273 5.780 8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.552 7.436 8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.499 4.719 10.391 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.708 4.400 11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.063 3.984 9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.409 7.219 7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.159 7.690 9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.875 6.008 8.813 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.786 4.827 12.784 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.976 4.631 14.210 1.00 0.00 C ATOM 1610 C LYS A 100 -8.089 3.503 14.732 1.00 0.00 C ATOM 1611 O LYS A 100 -7.566 2.704 13.957 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.446 4.319 14.477 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.375 5.468 14.114 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.832 5.035 14.093 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.217 4.429 12.753 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.596 3.869 12.772 1.00 0.00 N ATOM 0 H LYS A 100 -8.599 3.970 12.264 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.692 5.543 14.735 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.733 3.434 13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.574 4.075 15.532 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.248 6.278 14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.099 5.862 13.136 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.007 4.308 14.886 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.470 5.894 14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.145 5.190 11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.509 3.642 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.591 2.919 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.933 3.809 13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.229 4.487 12.226 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.902 3.435 16.059 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.077 2.401 16.691 1.00 0.00 C ATOM 1632 C PRO A 101 -7.612 1.000 16.423 1.00 0.00 C ATOM 1633 O PRO A 101 -6.847 0.056 16.226 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.160 2.729 18.187 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.363 3.598 18.331 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.484 4.355 17.046 1.00 0.00 C ATOM 0 HA PRO A 101 -6.058 2.401 16.303 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.256 1.822 18.784 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.261 3.242 18.528 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.255 3.000 18.517 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.253 4.278 19.175 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.523 4.591 16.814 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.943 5.301 17.083 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.934 0.875 16.420 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.584 -0.407 16.174 1.00 0.00 C ATOM 1646 C GLU A 102 -9.286 -0.911 14.765 1.00 0.00 C ATOM 1647 O GLU A 102 -9.357 -2.112 14.500 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.091 -0.282 16.375 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.695 0.851 15.579 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.190 0.989 15.791 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.958 0.352 15.041 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.592 1.735 16.709 1.00 0.00 O ATOM 0 H GLU A 102 -9.578 1.648 16.586 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.187 -1.129 16.887 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.570 -1.218 16.088 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.300 -0.128 17.434 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.206 1.785 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.497 0.690 14.519 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.959 0.013 13.866 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.648 -0.337 12.481 1.00 0.00 C ATOM 1661 C ASN A 103 -7.594 -1.436 12.415 1.00 0.00 C ATOM 1662 O ASN A 103 -6.601 -1.399 13.141 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.156 0.892 11.717 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.235 1.944 11.532 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.156 2.773 10.628 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.256 1.912 12.381 1.00 0.00 N ATOM 0 H ASN A 103 -8.902 1.011 14.071 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.564 -0.706 12.019 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.314 1.332 12.251 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.787 0.582 10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.012 2.592 12.296 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.284 1.208 13.118 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.822 -2.414 11.541 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.890 -3.516 11.369 1.00 0.00 C ATOM 1675 C GLU A 104 -5.485 -2.979 11.128 1.00 0.00 C ATOM 1676 O GLU A 104 -5.316 -1.847 10.674 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.334 -4.398 10.204 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.960 -5.857 10.374 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.748 -6.775 9.458 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.980 -6.872 9.633 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.132 -7.395 8.565 1.00 0.00 O ATOM 0 H GLU A 104 -8.646 -2.462 10.942 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.879 -4.119 12.277 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.415 -4.319 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.888 -4.022 9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.895 -5.980 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.128 -6.152 11.410 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.483 -3.793 11.425 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.097 -3.372 11.264 1.00 0.00 C ATOM 1690 C ARG A 105 -2.346 -4.245 10.266 1.00 0.00 C ATOM 1691 O ARG A 105 -2.754 -5.365 9.967 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.378 -3.413 12.617 1.00 0.00 C ATOM 1693 CG ARG A 105 -0.987 -2.799 12.594 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.006 -1.391 13.154 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.437 -1.369 14.549 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.442 -0.274 15.303 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.037 0.885 14.799 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -1.851 -0.336 16.563 1.00 0.00 N ATOM 0 H ARG A 105 -4.601 -4.743 11.777 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.110 -2.353 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.984 -2.888 13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.302 -4.449 12.946 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.303 -3.417 13.176 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.610 -2.783 11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.010 -0.954 13.074 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.675 -0.771 12.557 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.752 -2.244 14.969 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.721 0.937 13.831 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.042 1.723 15.380 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.162 -1.225 16.955 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.854 0.505 17.140 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.265 -3.685 9.732 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.384 -4.379 8.802 1.00 0.00 C ATOM 1714 C TYR A 106 0.848 -3.518 8.559 1.00 0.00 C ATOM 1715 O TYR A 106 1.081 -3.024 7.457 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.094 -4.708 7.487 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.348 -5.699 6.630 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.623 -5.287 5.728 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.620 -7.055 6.729 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.303 -6.201 4.948 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.054 -7.975 5.955 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.015 -7.544 5.064 1.00 0.00 C ATOM 1723 OH TYR A 106 1.690 -8.460 4.291 1.00 0.00 O ATOM 0 H TYR A 106 -0.974 -2.729 9.935 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.085 -5.331 9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.085 -5.105 7.708 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.238 -3.787 6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.850 -4.235 5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.373 -7.396 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.056 -5.866 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.169 -9.028 6.046 1.00 0.00 H new ATOM 0 HH TYR A 106 1.368 -9.362 4.497 1.00 0.00 H new ATOM 1733 N THR A 107 1.619 -3.321 9.622 1.00 0.00 N ATOM 1734 CA THR A 107 2.824 -2.509 9.559 1.00 0.00 C ATOM 1735 C THR A 107 4.041 -3.363 9.224 1.00 0.00 C ATOM 1736 O THR A 107 4.611 -4.019 10.095 1.00 0.00 O ATOM 1737 CB THR A 107 3.063 -1.779 10.894 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.826 -1.256 11.393 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.058 -0.645 10.719 1.00 0.00 C ATOM 0 H THR A 107 1.428 -3.716 10.543 1.00 0.00 H new ATOM 0 HA THR A 107 2.681 -1.771 8.769 1.00 0.00 H new ATOM 0 HB THR A 107 3.471 -2.496 11.606 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.985 -0.795 12.243 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.211 -0.144 11.675 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.007 -1.046 10.363 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.671 0.070 9.993 1.00 0.00 H new ATOM 1747 N LEU A 108 4.430 -3.353 7.953 1.00 0.00 N ATOM 1748 CA LEU A 108 5.577 -4.129 7.499 1.00 0.00 C ATOM 1749 C LEU A 108 6.881 -3.381 7.748 1.00 0.00 C ATOM 1750 O LEU A 108 7.303 -2.559 6.935 1.00 0.00 O ATOM 1751 CB LEU A 108 5.438 -4.463 6.012 1.00 0.00 C ATOM 1752 CG LEU A 108 6.616 -5.231 5.400 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.916 -6.486 6.203 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.325 -5.579 3.949 1.00 0.00 C ATOM 0 H LEU A 108 3.967 -2.816 7.220 1.00 0.00 H new ATOM 0 HA LEU A 108 5.602 -5.056 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.531 -5.050 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.305 -3.533 5.459 1.00 0.00 H new ATOM 0 HG LEU A 108 7.497 -4.590 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.755 -7.015 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.170 -6.211 7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.039 -7.133 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.170 -6.124 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.431 -6.200 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.165 -4.663 3.380 1.00 0.00 H new ATOM 1766 N HIS A 109 7.513 -3.671 8.880 1.00 0.00 N ATOM 1767 CA HIS A 109 8.774 -3.033 9.235 1.00 0.00 C ATOM 1768 C HIS A 109 9.934 -3.679 8.487 1.00 0.00 C ATOM 1769 O HIS A 109 9.979 -4.899 8.317 1.00 0.00 O ATOM 1770 CB HIS A 109 9.002 -3.102 10.739 1.00 0.00 C ATOM 1771 CG HIS A 109 8.268 -2.049 11.506 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.874 -0.911 11.993 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.966 -1.964 11.869 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.980 -0.171 12.623 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.813 -0.788 12.562 1.00 0.00 N ATOM 0 H HIS A 109 7.172 -4.344 9.567 1.00 0.00 H new ATOM 0 HA HIS A 109 8.721 -1.984 8.942 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.694 -4.083 11.100 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.069 -3.009 10.941 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.192 -2.686 11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.170 0.776 13.106 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.940 -0.446 12.964 1.00 0.00 H new ATOM 1784 N LEU A 110 10.876 -2.848 8.065 1.00 0.00 N ATOM 1785 CA LEU A 110 12.031 -3.306 7.303 1.00 0.00 C ATOM 1786 C LEU A 110 13.281 -2.502 7.646 1.00 0.00 C ATOM 1787 O LEU A 110 13.416 -1.349 7.237 1.00 0.00 O ATOM 1788 CB LEU A 110 11.758 -3.176 5.801 1.00 0.00 C ATOM 1789 CG LEU A 110 10.584 -3.999 5.267 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.340 -3.677 3.800 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.837 -5.489 5.452 1.00 0.00 C ATOM 0 H LEU A 110 10.863 -1.843 8.239 1.00 0.00 H new ATOM 0 HA LEU A 110 12.201 -4.350 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.575 -2.126 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.658 -3.468 5.260 1.00 0.00 H new ATOM 0 HG LEU A 110 9.693 -3.735 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.502 -4.269 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.110 -2.617 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.233 -3.914 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.988 -6.053 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.740 -5.775 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.964 -5.708 6.512 1.00 0.00 H new ATOM 1803 N ASN A 111 14.188 -3.111 8.401 1.00 0.00 N ATOM 1804 CA ASN A 111 15.434 -2.460 8.760 1.00 0.00 C ATOM 1805 C ASN A 111 16.387 -2.523 7.577 1.00 0.00 C ATOM 1806 O ASN A 111 17.338 -3.304 7.567 1.00 0.00 O ATOM 1807 CB ASN A 111 16.054 -3.133 9.984 1.00 0.00 C ATOM 1808 CG ASN A 111 15.389 -2.713 11.277 1.00 0.00 C ATOM 1809 OD1 ASN A 111 14.407 -3.317 11.711 1.00 0.00 O ATOM 1810 ND2 ASN A 111 15.924 -1.671 11.903 1.00 0.00 N ATOM 0 H ASN A 111 14.080 -4.054 8.774 1.00 0.00 H new ATOM 0 HA ASN A 111 15.239 -1.417 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.980 -4.215 9.876 1.00 0.00 H new ATOM 0 HB3 ASN A 111 17.115 -2.889 10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.521 -1.341 12.780 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.738 -1.201 11.507 1.00 0.00 H new ATOM 1817 N VAL A 112 16.105 -1.704 6.574 1.00 0.00 N ATOM 1818 CA VAL A 112 16.906 -1.668 5.357 1.00 0.00 C ATOM 1819 C VAL A 112 18.378 -1.411 5.666 1.00 0.00 C ATOM 1820 O VAL A 112 18.735 -0.361 6.199 1.00 0.00 O ATOM 1821 CB VAL A 112 16.399 -0.584 4.387 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.751 -0.946 2.957 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.898 -0.383 4.535 1.00 0.00 C ATOM 0 H VAL A 112 15.322 -1.051 6.579 1.00 0.00 H new ATOM 0 HA VAL A 112 16.807 -2.646 4.886 1.00 0.00 H new ATOM 0 HB VAL A 112 16.892 0.355 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.386 -0.170 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.833 -1.031 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.287 -1.898 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.564 0.387 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.382 -1.318 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.671 -0.074 5.555 1.00 0.00 H new ATOM 1833 N LYS A 113 19.226 -2.378 5.327 1.00 0.00 N ATOM 1834 CA LYS A 113 20.660 -2.256 5.565 1.00 0.00 C ATOM 1835 C LYS A 113 21.442 -2.401 4.264 1.00 0.00 C ATOM 1836 O LYS A 113 21.728 -1.364 3.629 1.00 0.00 O ATOM 1837 CB LYS A 113 21.120 -3.311 6.571 1.00 0.00 C ATOM 1838 CG LYS A 113 20.487 -3.166 7.939 1.00 0.00 C ATOM 1839 CD LYS A 113 21.007 -1.938 8.668 1.00 0.00 C ATOM 1840 CE LYS A 113 20.359 -1.785 10.034 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.640 -2.950 10.917 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.762 -3.549 3.890 1.00 0.00 O ATOM 0 H LYS A 113 18.945 -3.254 4.887 1.00 0.00 H new ATOM 0 HA LYS A 113 20.853 -1.264 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.889 -4.301 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.204 -3.254 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.404 -3.096 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.693 -4.057 8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.088 -2.013 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.811 -1.048 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.724 -0.874 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.282 -1.672 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.359 -2.722 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.101 -3.775 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.657 -3.168 10.891 1.00 0.00 H new TER 1856 LYS A 113