USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 777 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 38 TYR OH : rot 180:sc= 0.729 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 148:sc= 0.831 (180deg=-0.0421) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.22! USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.043 (180deg=-0.423) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc=-0.00467 (180deg=-0.54) USER MOD Single : A -1 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-1) USER MOD Single : A -2 SER OG : rot -150:sc= -0.248 USER MOD Single : A -3 GLY N :NH3+ -109:sc= 0.159 (180deg=0) USER MOD Single : A 10 SER OG : rot -12:sc= 0.729 USER MOD Single : A 12 SER OG : rot 180:sc= -0.24 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.201 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.72 F(o=-3.6!,f=-1.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= -3.97! C(o=-4!,f=-10!) USER MOD Single : A 32 TYR OH : rot 42:sc= 0.0333 USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= -0.483 (180deg=-0.642) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.107 F(o=-1.7!,f=-0.11) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 127:sc= -0.0641! USER MOD Single : A 55 TYR OH : rot -62:sc= 0.644 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= -0.0106 (180deg=-0.228) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 64 ASN : amide:sc= -0.0199 K(o=-0.02,f=-0.8) USER MOD Single : A 65 THR OG1 : rot -130:sc= -0.342 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -101:sc= -1.56! USER MOD Single : A 70 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.1!) USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= 0.155 (180deg=0.029) USER MOD Single : A 75 CYS SG : rot -116:sc= -2.39 USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= -0.0324 (180deg=-1.14) USER MOD Single : A 81 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.56) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -128:sc= -0.265! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 76.545 10.383 16.583 1.00 0.00 N ATOM 2 CA GLY A -3 76.430 8.957 16.160 1.00 0.00 C ATOM 3 C GLY A -3 75.633 8.182 17.202 1.00 0.00 C ATOM 4 O GLY A -3 75.282 8.721 18.252 1.00 0.00 O ATOM 0 H1 GLY A -3 75.956 10.977 15.965 1.00 0.00 H new ATOM 0 H2 GLY A -3 76.223 10.480 17.567 1.00 0.00 H new ATOM 0 H3 GLY A -3 77.537 10.687 16.512 1.00 0.00 H new ATOM 0 HA2 GLY A -3 75.939 8.893 15.189 1.00 0.00 H new ATOM 0 HA3 GLY A -3 77.422 8.519 16.045 1.00 0.00 H new ATOM 10 N SER A -2 75.354 6.915 16.905 1.00 0.00 N ATOM 11 CA SER A -2 74.598 6.073 17.825 1.00 0.00 C ATOM 12 C SER A -2 75.398 4.826 18.190 1.00 0.00 C ATOM 13 O SER A -2 75.364 3.824 17.479 1.00 0.00 O ATOM 14 CB SER A -2 73.274 5.659 17.181 1.00 0.00 C ATOM 15 OG SER A -2 72.571 4.797 18.065 1.00 0.00 O ATOM 0 H SER A -2 75.638 6.453 16.041 1.00 0.00 H new ATOM 0 HA SER A -2 74.400 6.643 18.733 1.00 0.00 H new ATOM 0 HB2 SER A -2 72.673 6.541 16.960 1.00 0.00 H new ATOM 0 HB3 SER A -2 73.460 5.154 16.233 1.00 0.00 H new ATOM 0 HG SER A -2 72.020 4.175 17.546 1.00 0.00 H new ATOM 21 N HIS A -1 76.111 4.897 19.310 1.00 0.00 N ATOM 22 CA HIS A -1 76.910 3.767 19.768 1.00 0.00 C ATOM 23 C HIS A -1 76.022 2.557 20.034 1.00 0.00 C ATOM 24 O HIS A -1 76.344 1.437 19.635 1.00 0.00 O ATOM 25 CB HIS A -1 77.663 4.142 21.046 1.00 0.00 C ATOM 26 CG HIS A -1 78.569 3.010 21.445 1.00 0.00 C ATOM 27 ND1 HIS A -1 78.130 1.949 22.222 1.00 0.00 N ATOM 28 CD2 HIS A -1 79.893 2.757 21.181 1.00 0.00 C ATOM 29 CE1 HIS A -1 79.170 1.116 22.399 1.00 0.00 C ATOM 30 NE2 HIS A -1 80.269 1.560 21.785 1.00 0.00 N ATOM 0 H HIS A -1 76.152 5.719 19.913 1.00 0.00 H new ATOM 0 HA HIS A -1 77.627 3.513 18.987 1.00 0.00 H new ATOM 0 HB2 HIS A -1 78.246 5.049 20.884 1.00 0.00 H new ATOM 0 HB3 HIS A -1 76.956 4.356 21.848 1.00 0.00 H new ATOM 0 HD2 HIS A -1 80.543 3.390 20.595 1.00 0.00 H new ATOM 0 HE1 HIS A -1 79.122 0.200 22.968 1.00 0.00 H new ATOM 0 HE2 HIS A -1 81.188 1.117 21.763 1.00 0.00 H new ATOM 38 N MET A 0 74.902 2.790 20.710 1.00 0.00 N ATOM 39 CA MET A 0 73.973 1.710 21.024 1.00 0.00 C ATOM 40 C MET A 0 72.592 2.269 21.346 1.00 0.00 C ATOM 41 O MET A 0 72.334 2.691 22.473 1.00 0.00 O ATOM 42 CB MET A 0 74.489 0.905 22.219 1.00 0.00 C ATOM 43 CG MET A 0 73.721 -0.414 22.317 1.00 0.00 C ATOM 44 SD MET A 0 73.401 -0.799 24.055 1.00 0.00 S ATOM 45 CE MET A 0 73.061 -2.564 23.838 1.00 0.00 C ATOM 0 H MET A 0 74.617 3.709 21.049 1.00 0.00 H new ATOM 0 HA MET A 0 73.897 1.059 20.153 1.00 0.00 H new ATOM 0 HB2 MET A 0 75.555 0.709 22.106 1.00 0.00 H new ATOM 0 HB3 MET A 0 74.366 1.479 23.138 1.00 0.00 H new ATOM 0 HG2 MET A 0 72.781 -0.341 21.771 1.00 0.00 H new ATOM 0 HG3 MET A 0 74.296 -1.217 21.856 1.00 0.00 H new ATOM 0 HE1 MET A 0 72.834 -3.012 24.805 1.00 0.00 H new ATOM 0 HE2 MET A 0 72.209 -2.691 23.170 1.00 0.00 H new ATOM 0 HE3 MET A 0 73.935 -3.053 23.408 1.00 0.00 H new ATOM 55 N MET A 1 71.708 2.262 20.349 1.00 0.00 N ATOM 56 CA MET A 1 70.354 2.766 20.539 1.00 0.00 C ATOM 57 C MET A 1 69.332 1.699 20.161 1.00 0.00 C ATOM 58 O MET A 1 69.358 1.164 19.054 1.00 0.00 O ATOM 59 CB MET A 1 70.135 4.017 19.683 1.00 0.00 C ATOM 60 CG MET A 1 68.786 4.653 20.033 1.00 0.00 C ATOM 61 SD MET A 1 68.849 5.311 21.717 1.00 0.00 S ATOM 62 CE MET A 1 67.093 5.707 21.872 1.00 0.00 C ATOM 0 H MET A 1 71.905 1.915 19.410 1.00 0.00 H new ATOM 0 HA MET A 1 70.224 3.023 21.590 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.940 4.732 19.854 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.161 3.755 18.625 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.554 5.451 19.328 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.990 3.913 19.950 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.902 6.135 22.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 66.813 6.427 21.103 1.00 0.00 H new ATOM 0 HE3 MET A 1 66.503 4.799 21.751 1.00 0.00 H new ATOM 72 N ALA A 2 68.426 1.403 21.087 1.00 0.00 N ATOM 73 CA ALA A 2 67.393 0.405 20.843 1.00 0.00 C ATOM 74 C ALA A 2 66.340 0.944 19.878 1.00 0.00 C ATOM 75 O ALA A 2 66.112 2.152 19.809 1.00 0.00 O ATOM 76 CB ALA A 2 66.726 0.005 22.159 1.00 0.00 C ATOM 0 H ALA A 2 68.386 1.838 22.009 1.00 0.00 H new ATOM 0 HA ALA A 2 67.863 -0.471 20.396 1.00 0.00 H new ATOM 0 HB1 ALA A 2 65.956 -0.741 21.964 1.00 0.00 H new ATOM 0 HB2 ALA A 2 67.473 -0.412 22.834 1.00 0.00 H new ATOM 0 HB3 ALA A 2 66.273 0.883 22.619 1.00 0.00 H new ATOM 82 N THR A 3 65.702 0.041 19.141 1.00 0.00 N ATOM 83 CA THR A 3 64.674 0.440 18.187 1.00 0.00 C ATOM 84 C THR A 3 65.276 1.280 17.066 1.00 0.00 C ATOM 85 O THR A 3 64.571 2.031 16.393 1.00 0.00 O ATOM 86 CB THR A 3 63.580 1.241 18.900 1.00 0.00 C ATOM 87 OG1 THR A 3 63.772 1.160 20.306 1.00 0.00 O ATOM 88 CG2 THR A 3 62.208 0.670 18.540 1.00 0.00 C ATOM 0 H THR A 3 65.876 -0.963 19.185 1.00 0.00 H new ATOM 0 HA THR A 3 64.240 -0.461 17.754 1.00 0.00 H new ATOM 0 HB THR A 3 63.633 2.283 18.585 1.00 0.00 H new ATOM 0 HG1 THR A 3 63.073 1.674 20.762 1.00 0.00 H new ATOM 0 HG21 THR A 3 61.431 1.241 19.048 1.00 0.00 H new ATOM 0 HG22 THR A 3 62.059 0.734 17.462 1.00 0.00 H new ATOM 0 HG23 THR A 3 62.155 -0.373 18.853 1.00 0.00 H new ATOM 96 N SER A 4 66.584 1.146 16.871 1.00 0.00 N ATOM 97 CA SER A 4 67.270 1.895 15.827 1.00 0.00 C ATOM 98 C SER A 4 68.551 1.179 15.410 1.00 0.00 C ATOM 99 O SER A 4 68.875 1.105 14.225 1.00 0.00 O ATOM 100 CB SER A 4 67.606 3.301 16.324 1.00 0.00 C ATOM 101 OG SER A 4 68.986 3.560 16.103 1.00 0.00 O ATOM 0 H SER A 4 67.185 0.530 17.418 1.00 0.00 H new ATOM 0 HA SER A 4 66.609 1.967 14.963 1.00 0.00 H new ATOM 0 HB2 SER A 4 66.997 4.039 15.801 1.00 0.00 H new ATOM 0 HB3 SER A 4 67.373 3.389 17.385 1.00 0.00 H new ATOM 0 HG SER A 4 69.204 4.462 16.419 1.00 0.00 H new ATOM 107 N ASP A 5 69.276 0.655 16.393 1.00 0.00 N ATOM 108 CA ASP A 5 70.522 -0.052 16.117 1.00 0.00 C ATOM 109 C ASP A 5 70.243 -1.508 15.757 1.00 0.00 C ATOM 110 O ASP A 5 69.836 -2.299 16.608 1.00 0.00 O ATOM 111 CB ASP A 5 71.439 0.005 17.340 1.00 0.00 C ATOM 112 CG ASP A 5 72.768 -0.670 17.027 1.00 0.00 C ATOM 113 OD1 ASP A 5 73.500 -0.142 16.205 1.00 0.00 O ATOM 114 OD2 ASP A 5 73.038 -1.706 17.612 1.00 0.00 O ATOM 0 H ASP A 5 69.025 0.706 17.380 1.00 0.00 H new ATOM 0 HA ASP A 5 71.012 0.433 15.273 1.00 0.00 H new ATOM 0 HB2 ASP A 5 71.608 1.042 17.630 1.00 0.00 H new ATOM 0 HB3 ASP A 5 70.961 -0.489 18.186 1.00 0.00 H new ATOM 119 N VAL A 6 70.466 -1.854 14.492 1.00 0.00 N ATOM 120 CA VAL A 6 70.233 -3.216 14.028 1.00 0.00 C ATOM 121 C VAL A 6 71.559 -3.942 13.828 1.00 0.00 C ATOM 122 O VAL A 6 72.459 -3.439 13.152 1.00 0.00 O ATOM 123 CB VAL A 6 69.456 -3.199 12.713 1.00 0.00 C ATOM 124 CG1 VAL A 6 69.244 -4.634 12.227 1.00 0.00 C ATOM 125 CG2 VAL A 6 68.099 -2.530 12.935 1.00 0.00 C ATOM 0 H VAL A 6 70.806 -1.213 13.775 1.00 0.00 H new ATOM 0 HA VAL A 6 69.649 -3.742 14.783 1.00 0.00 H new ATOM 0 HB VAL A 6 70.019 -2.642 11.964 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.690 -4.622 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 6 70.211 -5.112 12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.680 -5.192 12.975 1.00 0.00 H new ATOM 0 HG21 VAL A 6 67.542 -2.517 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 6 67.536 -3.088 13.683 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.250 -1.508 13.282 1.00 0.00 H new ATOM 135 N LYS A 7 71.672 -5.123 14.425 1.00 0.00 N ATOM 136 CA LYS A 7 72.890 -5.904 14.311 1.00 0.00 C ATOM 137 C LYS A 7 72.734 -7.001 13.254 1.00 0.00 C ATOM 138 O LYS A 7 71.630 -7.502 13.029 1.00 0.00 O ATOM 139 CB LYS A 7 73.246 -6.540 15.659 1.00 0.00 C ATOM 140 CG LYS A 7 71.969 -7.002 16.355 1.00 0.00 C ATOM 141 CD LYS A 7 72.328 -7.771 17.625 1.00 0.00 C ATOM 142 CE LYS A 7 71.048 -8.121 18.386 1.00 0.00 C ATOM 143 NZ LYS A 7 70.186 -8.990 17.537 1.00 0.00 N ATOM 0 H LYS A 7 70.939 -5.555 14.988 1.00 0.00 H new ATOM 0 HA LYS A 7 73.693 -5.232 14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.917 -7.385 15.509 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.774 -5.821 16.285 1.00 0.00 H new ATOM 0 HG2 LYS A 7 71.346 -6.142 16.602 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.387 -7.636 15.686 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.873 -8.680 17.371 1.00 0.00 H new ATOM 0 HD3 LYS A 7 72.985 -7.170 18.254 1.00 0.00 H new ATOM 0 HE2 LYS A 7 71.294 -8.633 19.316 1.00 0.00 H new ATOM 0 HE3 LYS A 7 70.512 -7.211 18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 69.462 -9.446 18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 69.723 -8.412 16.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 70.770 -9.720 17.081 1.00 0.00 H new ATOM 157 N PRO A 8 73.810 -7.383 12.617 1.00 0.00 N ATOM 158 CA PRO A 8 73.796 -8.442 11.565 1.00 0.00 C ATOM 159 C PRO A 8 73.485 -9.821 12.132 1.00 0.00 C ATOM 160 O PRO A 8 73.581 -10.041 13.337 1.00 0.00 O ATOM 161 CB PRO A 8 75.207 -8.398 10.991 1.00 0.00 C ATOM 162 CG PRO A 8 76.057 -7.797 12.047 1.00 0.00 C ATOM 163 CD PRO A 8 75.165 -6.846 12.822 1.00 0.00 C ATOM 0 HA PRO A 8 73.019 -8.264 10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 8 75.555 -9.398 10.732 1.00 0.00 H new ATOM 0 HB3 PRO A 8 75.239 -7.803 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 8 76.466 -8.567 12.702 1.00 0.00 H new ATOM 0 HG3 PRO A 8 76.903 -7.267 11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 8 75.429 -6.823 13.879 1.00 0.00 H new ATOM 0 HD3 PRO A 8 75.251 -5.825 12.449 1.00 0.00 H new ATOM 171 N LYS A 9 73.103 -10.741 11.253 1.00 0.00 N ATOM 172 CA LYS A 9 72.770 -12.095 11.681 1.00 0.00 C ATOM 173 C LYS A 9 73.914 -13.050 11.366 1.00 0.00 C ATOM 174 O LYS A 9 74.182 -13.981 12.125 1.00 0.00 O ATOM 175 CB LYS A 9 71.495 -12.566 10.972 1.00 0.00 C ATOM 176 CG LYS A 9 70.384 -11.524 11.157 1.00 0.00 C ATOM 177 CD LYS A 9 69.637 -11.794 12.464 1.00 0.00 C ATOM 178 CE LYS A 9 68.867 -10.540 12.874 1.00 0.00 C ATOM 179 NZ LYS A 9 68.133 -10.000 11.697 1.00 0.00 N ATOM 0 H LYS A 9 73.017 -10.577 10.250 1.00 0.00 H new ATOM 0 HA LYS A 9 72.605 -12.088 12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 9 71.692 -12.717 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 9 71.176 -13.527 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 9 70.811 -10.521 11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.691 -11.563 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 9 68.950 -12.631 12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 9 70.341 -12.075 13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 9 68.167 -10.776 13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 9 69.555 -9.789 13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 67.365 -9.379 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 68.788 -9.457 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 67.733 -10.787 11.147 1.00 0.00 H new ATOM 193 N SER A 10 74.586 -12.809 10.246 1.00 0.00 N ATOM 194 CA SER A 10 75.705 -13.649 9.842 1.00 0.00 C ATOM 195 C SER A 10 76.624 -12.898 8.886 1.00 0.00 C ATOM 196 O SER A 10 76.244 -11.872 8.323 1.00 0.00 O ATOM 197 CB SER A 10 75.197 -14.919 9.168 1.00 0.00 C ATOM 198 OG SER A 10 74.477 -15.699 10.114 1.00 0.00 O ATOM 0 H SER A 10 74.376 -12.043 9.606 1.00 0.00 H new ATOM 0 HA SER A 10 76.268 -13.916 10.736 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.554 -14.665 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.034 -15.492 8.769 1.00 0.00 H new ATOM 0 HG SER A 10 74.630 -15.345 11.015 1.00 0.00 H new ATOM 204 N ILE A 11 77.836 -13.411 8.714 1.00 0.00 N ATOM 205 CA ILE A 11 78.810 -12.789 7.822 1.00 0.00 C ATOM 206 C ILE A 11 79.385 -13.813 6.854 1.00 0.00 C ATOM 207 O ILE A 11 79.752 -14.915 7.257 1.00 0.00 O ATOM 208 CB ILE A 11 79.936 -12.148 8.629 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.349 -11.109 9.589 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.923 -11.467 7.679 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.372 -11.664 11.014 1.00 0.00 C ATOM 0 H ILE A 11 78.169 -14.255 9.179 1.00 0.00 H new ATOM 0 HA ILE A 11 78.299 -12.016 7.248 1.00 0.00 H new ATOM 0 HB ILE A 11 80.456 -12.917 9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.924 -10.184 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.327 -10.865 9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.727 -11.010 8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.342 -12.207 6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.405 -10.698 7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.955 -10.926 11.699 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.778 -12.577 11.059 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.400 -11.885 11.302 1.00 0.00 H new ATOM 223 N SER A 12 79.453 -13.446 5.577 1.00 0.00 N ATOM 224 CA SER A 12 79.978 -14.344 4.553 1.00 0.00 C ATOM 225 C SER A 12 81.106 -13.673 3.782 1.00 0.00 C ATOM 226 O SER A 12 81.439 -12.515 4.034 1.00 0.00 O ATOM 227 CB SER A 12 78.864 -14.748 3.588 1.00 0.00 C ATOM 228 OG SER A 12 79.376 -15.688 2.652 1.00 0.00 O ATOM 0 H SER A 12 79.152 -12.536 5.228 1.00 0.00 H new ATOM 0 HA SER A 12 80.369 -15.235 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.029 -15.182 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.481 -13.870 3.068 1.00 0.00 H new ATOM 0 HG SER A 12 78.665 -15.952 2.031 1.00 0.00 H new ATOM 234 N ARG A 13 81.693 -14.407 2.841 1.00 0.00 N ATOM 235 CA ARG A 13 82.784 -13.876 2.031 1.00 0.00 C ATOM 236 C ARG A 13 82.390 -13.835 0.560 1.00 0.00 C ATOM 237 O ARG A 13 81.857 -14.804 0.023 1.00 0.00 O ATOM 238 CB ARG A 13 84.031 -14.743 2.207 1.00 0.00 C ATOM 239 CG ARG A 13 84.623 -14.515 3.600 1.00 0.00 C ATOM 240 CD ARG A 13 85.626 -13.362 3.548 1.00 0.00 C ATOM 241 NE ARG A 13 86.167 -13.107 4.877 1.00 0.00 N ATOM 242 CZ ARG A 13 86.995 -12.091 5.096 1.00 0.00 C ATOM 243 NH1 ARG A 13 87.336 -11.302 4.113 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.467 -11.879 6.295 1.00 0.00 N ATOM 0 H ARG A 13 81.432 -15.368 2.621 1.00 0.00 H new ATOM 0 HA ARG A 13 82.998 -12.860 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.776 -15.795 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.768 -14.497 1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 13 83.829 -14.288 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 13 85.115 -15.423 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 13 86.435 -13.604 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 13 85.140 -12.464 3.167 1.00 0.00 H new ATOM 0 HE ARG A 13 85.906 -13.718 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 13 86.967 -11.465 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 13 87.972 -10.522 4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 13 87.200 -12.493 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 13 88.103 -11.099 6.462 1.00 0.00 H new ATOM 258 N ALA A 14 82.656 -12.703 -0.085 1.00 0.00 N ATOM 259 CA ALA A 14 82.327 -12.543 -1.494 1.00 0.00 C ATOM 260 C ALA A 14 83.182 -13.464 -2.353 1.00 0.00 C ATOM 261 O ALA A 14 84.326 -13.756 -2.005 1.00 0.00 O ATOM 262 CB ALA A 14 82.551 -11.095 -1.922 1.00 0.00 C ATOM 0 H ALA A 14 83.096 -11.889 0.344 1.00 0.00 H new ATOM 0 HA ALA A 14 81.278 -12.805 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.302 -10.985 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.915 -10.438 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.596 -10.827 -1.766 1.00 0.00 H new ATOM 268 N LYS A 15 82.624 -13.913 -3.476 1.00 0.00 N ATOM 269 CA LYS A 15 83.339 -14.797 -4.385 1.00 0.00 C ATOM 270 C LYS A 15 83.516 -14.134 -5.745 1.00 0.00 C ATOM 271 O LYS A 15 83.864 -14.793 -6.726 1.00 0.00 O ATOM 272 CB LYS A 15 82.589 -16.111 -4.549 1.00 0.00 C ATOM 273 CG LYS A 15 82.227 -16.665 -3.170 1.00 0.00 C ATOM 274 CD LYS A 15 82.648 -18.134 -3.077 1.00 0.00 C ATOM 275 CE LYS A 15 84.155 -18.213 -2.821 1.00 0.00 C ATOM 276 NZ LYS A 15 84.410 -18.209 -1.353 1.00 0.00 N ATOM 0 H LYS A 15 81.678 -13.677 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 15 84.322 -15.000 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.686 -15.956 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 15 83.205 -16.829 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 15 82.724 -16.085 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 15 81.154 -16.573 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.104 -18.630 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 15 82.397 -18.655 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 15 84.564 -19.118 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 15 84.659 -17.369 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 85.434 -18.263 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 84.033 -17.333 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 83.941 -19.028 -0.917 1.00 0.00 H new ATOM 290 N LYS A 16 83.284 -12.824 -5.799 1.00 0.00 N ATOM 291 CA LYS A 16 83.439 -12.082 -7.043 1.00 0.00 C ATOM 292 C LYS A 16 83.369 -10.581 -6.789 1.00 0.00 C ATOM 293 O LYS A 16 82.941 -10.148 -5.731 1.00 0.00 O ATOM 294 CB LYS A 16 82.351 -12.498 -8.028 1.00 0.00 C ATOM 295 CG LYS A 16 82.843 -12.287 -9.463 1.00 0.00 C ATOM 296 CD LYS A 16 81.793 -12.815 -10.442 1.00 0.00 C ATOM 297 CE LYS A 16 82.064 -14.294 -10.731 1.00 0.00 C ATOM 298 NZ LYS A 16 81.032 -14.813 -11.670 1.00 0.00 N ATOM 0 H LYS A 16 82.990 -12.260 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 16 84.417 -12.311 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.089 -13.545 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 81.447 -11.914 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.026 -11.228 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 16 83.790 -12.804 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 16 80.795 -12.692 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 16 81.822 -12.241 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 16 83.058 -14.415 -11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 16 82.047 -14.866 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 81.215 -15.818 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 80.090 -14.711 -11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 81.069 -14.274 -12.559 1.00 0.00 H new ATOM 312 N TRP A 17 83.782 -9.796 -7.774 1.00 0.00 N ATOM 313 CA TRP A 17 83.753 -8.341 -7.648 1.00 0.00 C ATOM 314 C TRP A 17 82.488 -7.757 -8.261 1.00 0.00 C ATOM 315 O TRP A 17 82.200 -7.972 -9.438 1.00 0.00 O ATOM 316 CB TRP A 17 84.978 -7.736 -8.330 1.00 0.00 C ATOM 317 CG TRP A 17 84.800 -6.256 -8.447 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.991 -5.367 -7.446 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.412 -5.479 -9.617 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.733 -4.093 -7.924 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.376 -4.111 -9.257 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.088 -5.823 -10.942 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.030 -3.124 -10.180 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.741 -4.830 -11.871 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.713 -3.481 -11.489 1.00 0.00 C ATOM 0 H TRP A 17 84.140 -10.137 -8.666 1.00 0.00 H new ATOM 0 HA TRP A 17 83.763 -8.096 -6.586 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.876 -7.961 -7.755 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.113 -8.177 -9.318 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.295 -5.611 -6.439 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.799 -3.246 -7.360 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.106 -6.859 -11.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 84.008 -2.086 -9.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.494 -5.106 -12.885 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.446 -2.720 -12.208 1.00 0.00 H new ATOM 336 N SER A 18 81.735 -7.012 -7.457 1.00 0.00 N ATOM 337 CA SER A 18 80.507 -6.390 -7.936 1.00 0.00 C ATOM 338 C SER A 18 80.179 -5.144 -7.116 1.00 0.00 C ATOM 339 O SER A 18 80.601 -5.019 -5.968 1.00 0.00 O ATOM 340 CB SER A 18 79.348 -7.381 -7.848 1.00 0.00 C ATOM 341 OG SER A 18 79.644 -8.521 -8.645 1.00 0.00 O ATOM 0 H SER A 18 81.952 -6.826 -6.478 1.00 0.00 H new ATOM 0 HA SER A 18 80.655 -6.098 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.187 -7.679 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.426 -6.912 -8.192 1.00 0.00 H new ATOM 0 HG SER A 18 78.903 -9.160 -8.590 1.00 0.00 H new ATOM 347 N GLU A 19 79.425 -4.230 -7.716 1.00 0.00 N ATOM 348 CA GLU A 19 79.050 -2.998 -7.032 1.00 0.00 C ATOM 349 C GLU A 19 78.620 -3.314 -5.605 1.00 0.00 C ATOM 350 O GLU A 19 78.751 -2.484 -4.714 1.00 0.00 O ATOM 351 CB GLU A 19 77.891 -2.325 -7.773 1.00 0.00 C ATOM 352 CG GLU A 19 77.560 -0.988 -7.106 1.00 0.00 C ATOM 353 CD GLU A 19 76.422 -0.300 -7.849 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.954 -0.861 -8.827 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.029 0.774 -7.426 1.00 0.00 O ATOM 0 H GLU A 19 79.064 -4.317 -8.666 1.00 0.00 H new ATOM 0 HA GLU A 19 79.908 -2.326 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 78.158 -2.165 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.015 -2.974 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.279 -1.151 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.442 -0.347 -7.101 1.00 0.00 H new ATOM 362 N GLU A 20 78.106 -4.517 -5.388 1.00 0.00 N ATOM 363 CA GLU A 20 77.672 -4.916 -4.055 1.00 0.00 C ATOM 364 C GLU A 20 78.874 -5.100 -3.127 1.00 0.00 C ATOM 365 O GLU A 20 78.868 -4.639 -1.981 1.00 0.00 O ATOM 366 CB GLU A 20 76.885 -6.229 -4.138 1.00 0.00 C ATOM 367 CG GLU A 20 76.358 -6.611 -2.748 1.00 0.00 C ATOM 368 CD GLU A 20 75.344 -5.575 -2.276 1.00 0.00 C ATOM 369 OE1 GLU A 20 74.806 -4.876 -3.118 1.00 0.00 O ATOM 370 OE2 GLU A 20 75.127 -5.491 -1.079 1.00 0.00 O ATOM 0 H GLU A 20 77.980 -5.227 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 20 77.034 -4.130 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 20 76.054 -6.121 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 20 77.524 -7.023 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.894 -7.597 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 20 77.185 -6.673 -2.040 1.00 0.00 H new ATOM 377 N ILE A 21 79.905 -5.787 -3.625 1.00 0.00 N ATOM 378 CA ILE A 21 81.092 -6.035 -2.812 1.00 0.00 C ATOM 379 C ILE A 21 81.911 -4.763 -2.689 1.00 0.00 C ATOM 380 O ILE A 21 82.124 -4.257 -1.590 1.00 0.00 O ATOM 381 CB ILE A 21 81.937 -7.136 -3.465 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.027 -8.304 -3.851 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.013 -7.624 -2.481 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.200 -8.747 -2.641 1.00 0.00 C ATOM 0 H ILE A 21 79.941 -6.174 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 21 80.786 -6.355 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 21 82.425 -6.739 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.365 -8.007 -4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.627 -9.137 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.609 -8.406 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.660 -6.791 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.534 -8.022 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.555 -9.579 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.868 -9.063 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.587 -7.915 -2.295 1.00 0.00 H new ATOM 396 N GLU A 22 82.393 -4.255 -3.815 1.00 0.00 N ATOM 397 CA GLU A 22 83.208 -3.056 -3.805 1.00 0.00 C ATOM 398 C GLU A 22 82.594 -2.015 -2.894 1.00 0.00 C ATOM 399 O GLU A 22 83.280 -1.406 -2.081 1.00 0.00 O ATOM 400 CB GLU A 22 83.306 -2.496 -5.230 1.00 0.00 C ATOM 401 CG GLU A 22 83.994 -1.129 -5.200 1.00 0.00 C ATOM 402 CD GLU A 22 85.362 -1.244 -4.538 1.00 0.00 C ATOM 403 OE1 GLU A 22 85.968 -2.297 -4.652 1.00 0.00 O ATOM 404 OE2 GLU A 22 85.780 -0.281 -3.918 1.00 0.00 O ATOM 0 H GLU A 22 82.233 -4.654 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 22 84.204 -3.305 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.868 -3.183 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.310 -2.404 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.104 -0.746 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.377 -0.415 -4.655 1.00 0.00 H new ATOM 411 N ASN A 23 81.303 -1.800 -3.045 1.00 0.00 N ATOM 412 CA ASN A 23 80.616 -0.807 -2.219 1.00 0.00 C ATOM 413 C ASN A 23 80.802 -1.117 -0.737 1.00 0.00 C ATOM 414 O ASN A 23 81.187 -0.246 0.035 1.00 0.00 O ATOM 415 CB ASN A 23 79.120 -0.831 -2.522 1.00 0.00 C ATOM 416 CG ASN A 23 78.375 0.125 -1.611 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.181 -0.230 -0.380 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.947 1.190 -2.039 1.00 0.00 N flip ATOM 0 H ASN A 23 80.710 -2.286 -3.718 1.00 0.00 H new ATOM 0 HA ASN A 23 81.039 0.171 -2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.950 -0.557 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.733 -1.842 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.110 1.451 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.427 1.815 -1.423 1.00 0.00 H new ATOM 425 N LEU A 24 80.547 -2.365 -0.351 1.00 0.00 N ATOM 426 CA LEU A 24 80.694 -2.753 1.045 1.00 0.00 C ATOM 427 C LEU A 24 82.077 -2.416 1.546 1.00 0.00 C ATOM 428 O LEU A 24 82.219 -1.936 2.650 1.00 0.00 O ATOM 429 CB LEU A 24 80.442 -4.254 1.198 1.00 0.00 C ATOM 430 CG LEU A 24 78.938 -4.527 1.126 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.704 -6.028 0.951 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.264 -4.060 2.426 1.00 0.00 C ATOM 0 H LEU A 24 80.243 -3.112 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 24 79.963 -2.201 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.960 -4.803 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.842 -4.606 2.149 1.00 0.00 H new ATOM 0 HG LEU A 24 78.513 -3.985 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.633 -6.226 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.180 -6.366 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.132 -6.564 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.193 -4.256 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.689 -4.601 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.431 -2.991 2.559 1.00 0.00 H new ATOM 444 N TYR A 25 83.085 -2.622 0.721 1.00 0.00 N ATOM 445 CA TYR A 25 84.453 -2.290 1.098 1.00 0.00 C ATOM 446 C TYR A 25 84.580 -0.797 1.375 1.00 0.00 C ATOM 447 O TYR A 25 85.160 -0.393 2.377 1.00 0.00 O ATOM 448 CB TYR A 25 85.413 -2.690 -0.023 1.00 0.00 C ATOM 449 CG TYR A 25 86.803 -2.196 0.298 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.561 -2.828 1.288 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.335 -1.103 -0.401 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.850 -2.368 1.583 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.623 -0.644 -0.106 1.00 0.00 C ATOM 454 CZ TYR A 25 89.382 -1.276 0.886 1.00 0.00 C ATOM 455 OH TYR A 25 90.652 -0.824 1.177 1.00 0.00 O ATOM 0 H TYR A 25 82.987 -3.017 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 25 84.708 -2.839 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.420 -3.774 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.077 -2.269 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.152 -3.671 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.750 -0.616 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.435 -2.856 2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.032 0.198 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 25 90.867 -0.060 0.602 1.00 0.00 H new ATOM 465 N ARG A 26 84.050 0.020 0.465 1.00 0.00 N ATOM 466 CA ARG A 26 84.134 1.469 0.621 1.00 0.00 C ATOM 467 C ARG A 26 83.434 1.910 1.909 1.00 0.00 C ATOM 468 O ARG A 26 83.980 2.666 2.701 1.00 0.00 O ATOM 469 CB ARG A 26 83.447 2.153 -0.566 1.00 0.00 C ATOM 470 CG ARG A 26 84.213 1.842 -1.854 1.00 0.00 C ATOM 471 CD ARG A 26 83.598 2.625 -3.012 1.00 0.00 C ATOM 472 NE ARG A 26 83.953 2.007 -4.285 1.00 0.00 N ATOM 473 CZ ARG A 26 83.131 2.064 -5.328 1.00 0.00 C ATOM 474 NH1 ARG A 26 81.985 2.676 -5.229 1.00 0.00 N ATOM 475 NH2 ARG A 26 83.470 1.497 -6.450 1.00 0.00 N ATOM 0 H ARG A 26 83.565 -0.292 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 26 85.186 1.751 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.417 1.807 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.409 3.230 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.264 2.108 -1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.176 0.773 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.514 2.655 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.950 3.657 -2.990 1.00 0.00 H new ATOM 0 HE ARG A 26 84.846 1.523 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 26 81.715 3.114 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 26 81.358 2.717 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 26 84.364 1.011 -6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 26 82.842 1.539 -7.253 1.00 0.00 H new ATOM 489 N PHE A 27 82.219 1.428 2.123 1.00 0.00 N ATOM 490 CA PHE A 27 81.479 1.784 3.330 1.00 0.00 C ATOM 491 C PHE A 27 82.144 1.182 4.570 1.00 0.00 C ATOM 492 O PHE A 27 82.317 1.850 5.587 1.00 0.00 O ATOM 493 CB PHE A 27 80.037 1.299 3.216 1.00 0.00 C ATOM 494 CG PHE A 27 79.241 2.280 2.389 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.223 2.176 0.995 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.524 3.303 3.014 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.486 3.084 0.231 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.791 4.212 2.238 1.00 0.00 C ATOM 499 CZ PHE A 27 77.772 4.100 0.853 1.00 0.00 C ATOM 0 H PHE A 27 81.728 0.798 1.489 1.00 0.00 H new ATOM 0 HA PHE A 27 81.483 2.869 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.009 0.312 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.596 1.200 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.781 1.391 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.534 3.393 4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.471 2.996 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 27 77.238 5.004 2.720 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.203 4.802 0.261 1.00 0.00 H new ATOM 509 N GLN A 28 82.517 -0.085 4.472 1.00 0.00 N ATOM 510 CA GLN A 28 83.159 -0.769 5.583 1.00 0.00 C ATOM 511 C GLN A 28 84.422 -0.034 5.999 1.00 0.00 C ATOM 512 O GLN A 28 84.647 0.196 7.186 1.00 0.00 O ATOM 513 CB GLN A 28 83.528 -2.202 5.180 1.00 0.00 C ATOM 514 CG GLN A 28 82.294 -3.104 5.277 1.00 0.00 C ATOM 515 CD GLN A 28 82.622 -4.496 4.746 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.782 -4.907 4.748 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.660 -5.255 4.297 1.00 0.00 N ATOM 0 H GLN A 28 82.387 -0.658 3.638 1.00 0.00 H new ATOM 0 HA GLN A 28 82.459 -0.791 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.919 -2.214 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.318 -2.580 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.962 -3.170 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.472 -2.672 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.699 -4.913 4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.869 -6.190 3.947 1.00 0.00 H new ATOM 526 N GLN A 29 85.240 0.340 5.023 1.00 0.00 N ATOM 527 CA GLN A 29 86.480 1.048 5.315 1.00 0.00 C ATOM 528 C GLN A 29 86.190 2.420 5.918 1.00 0.00 C ATOM 529 O GLN A 29 87.052 3.023 6.559 1.00 0.00 O ATOM 530 CB GLN A 29 87.310 1.194 4.033 1.00 0.00 C ATOM 531 CG GLN A 29 86.931 2.485 3.304 1.00 0.00 C ATOM 532 CD GLN A 29 87.826 3.625 3.768 1.00 0.00 C ATOM 533 OE1 GLN A 29 87.465 4.373 4.677 1.00 0.00 O ATOM 534 NE2 GLN A 29 88.975 3.801 3.192 1.00 0.00 N ATOM 0 H GLN A 29 85.070 0.167 4.032 1.00 0.00 H new ATOM 0 HA GLN A 29 87.048 0.470 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 29 88.372 1.204 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.141 0.337 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.031 2.348 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 85.887 2.729 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 29 89.269 3.178 2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 29 89.584 4.562 3.492 1.00 0.00 H new ATOM 543 N ALA A 30 84.973 2.909 5.688 1.00 0.00 N ATOM 544 CA ALA A 30 84.577 4.213 6.202 1.00 0.00 C ATOM 545 C ALA A 30 84.082 4.082 7.637 1.00 0.00 C ATOM 546 O ALA A 30 83.915 5.077 8.340 1.00 0.00 O ATOM 547 CB ALA A 30 83.484 4.822 5.325 1.00 0.00 C ATOM 0 H ALA A 30 84.252 2.425 5.154 1.00 0.00 H new ATOM 0 HA ALA A 30 85.445 4.872 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.199 5.796 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.857 4.940 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.615 4.165 5.318 1.00 0.00 H new ATOM 553 N GLY A 31 83.849 2.843 8.064 1.00 0.00 N ATOM 554 CA GLY A 31 83.370 2.591 9.416 1.00 0.00 C ATOM 555 C GLY A 31 81.867 2.304 9.432 1.00 0.00 C ATOM 556 O GLY A 31 81.285 2.078 10.492 1.00 0.00 O ATOM 0 H GLY A 31 83.983 2.006 7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.908 1.744 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.584 3.454 10.046 1.00 0.00 H new ATOM 560 N TYR A 32 81.248 2.310 8.252 1.00 0.00 N ATOM 561 CA TYR A 32 79.828 2.052 8.145 1.00 0.00 C ATOM 562 C TYR A 32 79.584 0.637 7.633 1.00 0.00 C ATOM 563 O TYR A 32 80.354 0.113 6.829 1.00 0.00 O ATOM 564 CB TYR A 32 79.203 3.053 7.175 1.00 0.00 C ATOM 565 CG TYR A 32 79.478 4.458 7.656 1.00 0.00 C ATOM 566 CD1 TYR A 32 80.762 4.990 7.535 1.00 0.00 C ATOM 567 CD2 TYR A 32 78.459 5.238 8.207 1.00 0.00 C ATOM 568 CE1 TYR A 32 81.028 6.291 7.970 1.00 0.00 C ATOM 569 CE2 TYR A 32 78.725 6.535 8.635 1.00 0.00 C ATOM 570 CZ TYR A 32 80.009 7.065 8.521 1.00 0.00 C ATOM 571 OH TYR A 32 80.271 8.351 8.954 1.00 0.00 O ATOM 0 H TYR A 32 81.714 2.491 7.363 1.00 0.00 H new ATOM 0 HA TYR A 32 79.375 2.156 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.614 2.912 6.175 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.128 2.885 7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 32 81.553 4.394 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 32 77.462 4.834 8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.025 6.697 7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 32 77.932 7.134 9.058 1.00 0.00 H new ATOM 0 HH TYR A 32 80.858 8.800 8.310 1.00 0.00 H new ATOM 581 N ARG A 33 78.498 0.035 8.089 1.00 0.00 N ATOM 582 CA ARG A 33 78.139 -1.317 7.661 1.00 0.00 C ATOM 583 C ARG A 33 77.501 -1.272 6.276 1.00 0.00 C ATOM 584 O ARG A 33 77.733 -2.150 5.446 1.00 0.00 O ATOM 585 CB ARG A 33 77.174 -1.953 8.660 1.00 0.00 C ATOM 586 CG ARG A 33 76.093 -0.941 9.051 1.00 0.00 C ATOM 587 CD ARG A 33 76.222 -0.605 10.538 1.00 0.00 C ATOM 588 NE ARG A 33 75.796 -1.739 11.347 1.00 0.00 N ATOM 589 CZ ARG A 33 76.160 -1.848 12.619 1.00 0.00 C ATOM 590 NH1 ARG A 33 76.913 -0.932 13.165 1.00 0.00 N ATOM 591 NH2 ARG A 33 75.764 -2.871 13.325 1.00 0.00 N ATOM 0 H ARG A 33 77.848 0.455 8.754 1.00 0.00 H new ATOM 0 HA ARG A 33 79.045 -1.922 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.715 -2.839 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.717 -2.280 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.194 -0.036 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.104 -1.351 8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.255 -0.349 10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 33 75.615 0.269 10.775 1.00 0.00 H new ATOM 0 HE ARG A 33 75.209 -2.461 10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.222 -0.131 12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 33 77.192 -1.017 14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 33 75.175 -3.587 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 33 76.044 -2.955 14.302 1.00 0.00 H new ATOM 605 N ASP A 34 76.698 -0.241 6.030 1.00 0.00 N ATOM 606 CA ASP A 34 76.039 -0.079 4.742 1.00 0.00 C ATOM 607 C ASP A 34 75.528 1.350 4.579 1.00 0.00 C ATOM 608 O ASP A 34 75.557 2.147 5.526 1.00 0.00 O ATOM 609 CB ASP A 34 74.886 -1.070 4.601 1.00 0.00 C ATOM 610 CG ASP A 34 73.984 -0.988 5.827 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.317 -0.243 6.733 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.973 -1.667 5.843 1.00 0.00 O ATOM 0 H ASP A 34 76.489 0.493 6.706 1.00 0.00 H new ATOM 0 HA ASP A 34 76.768 -0.280 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.313 -0.850 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.275 -2.082 4.491 1.00 0.00 H new ATOM 617 N GLU A 35 75.064 1.672 3.375 1.00 0.00 N ATOM 618 CA GLU A 35 74.561 3.008 3.100 1.00 0.00 C ATOM 619 C GLU A 35 73.592 3.448 4.189 1.00 0.00 C ATOM 620 O GLU A 35 73.455 4.642 4.450 1.00 0.00 O ATOM 621 CB GLU A 35 73.851 3.029 1.741 1.00 0.00 C ATOM 622 CG GLU A 35 72.676 2.047 1.763 1.00 0.00 C ATOM 623 CD GLU A 35 71.987 2.025 0.402 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.378 2.806 -0.450 1.00 0.00 O ATOM 625 OE2 GLU A 35 71.080 1.228 0.234 1.00 0.00 O ATOM 0 H GLU A 35 75.027 1.031 2.583 1.00 0.00 H new ATOM 0 HA GLU A 35 75.405 3.698 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.494 4.035 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.550 2.759 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.031 1.048 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.964 2.337 2.535 1.00 0.00 H new ATOM 632 N ILE A 36 72.900 2.484 4.789 1.00 0.00 N ATOM 633 CA ILE A 36 71.922 2.804 5.819 1.00 0.00 C ATOM 634 C ILE A 36 72.559 3.599 6.952 1.00 0.00 C ATOM 635 O ILE A 36 72.052 4.652 7.348 1.00 0.00 O ATOM 636 CB ILE A 36 71.340 1.504 6.384 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.490 0.812 5.317 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.471 1.820 7.603 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.142 -0.608 5.775 1.00 0.00 C ATOM 0 H ILE A 36 72.997 1.490 4.583 1.00 0.00 H new ATOM 0 HA ILE A 36 71.135 3.410 5.370 1.00 0.00 H new ATOM 0 HB ILE A 36 72.155 0.844 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.577 1.381 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 36 71.033 0.777 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.057 0.895 8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.078 2.307 8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.658 2.483 7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.536 -1.098 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.060 -1.176 5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.582 -0.562 6.709 1.00 0.00 H new ATOM 651 N GLU A 37 73.677 3.105 7.463 1.00 0.00 N ATOM 652 CA GLU A 37 74.373 3.784 8.546 1.00 0.00 C ATOM 653 C GLU A 37 74.901 5.136 8.081 1.00 0.00 C ATOM 654 O GLU A 37 74.875 6.118 8.826 1.00 0.00 O ATOM 655 CB GLU A 37 75.532 2.920 9.051 1.00 0.00 C ATOM 656 CG GLU A 37 76.056 3.491 10.371 1.00 0.00 C ATOM 657 CD GLU A 37 77.500 3.067 10.588 1.00 0.00 C ATOM 658 OE1 GLU A 37 77.724 1.898 10.844 1.00 0.00 O ATOM 659 OE2 GLU A 37 78.367 3.917 10.482 1.00 0.00 O ATOM 0 H GLU A 37 74.120 2.242 7.148 1.00 0.00 H new ATOM 0 HA GLU A 37 73.666 3.946 9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.198 1.892 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.331 2.895 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.986 4.579 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.438 3.141 11.198 1.00 0.00 H new ATOM 666 N TYR A 38 75.396 5.177 6.849 1.00 0.00 N ATOM 667 CA TYR A 38 75.942 6.411 6.294 1.00 0.00 C ATOM 668 C TYR A 38 74.883 7.498 6.246 1.00 0.00 C ATOM 669 O TYR A 38 75.147 8.646 6.608 1.00 0.00 O ATOM 670 CB TYR A 38 76.480 6.160 4.893 1.00 0.00 C ATOM 671 CG TYR A 38 76.940 7.464 4.283 1.00 0.00 C ATOM 672 CD1 TYR A 38 78.032 8.145 4.832 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.278 7.990 3.164 1.00 0.00 C ATOM 674 CE1 TYR A 38 78.459 9.354 4.270 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.708 9.198 2.601 1.00 0.00 C ATOM 676 CZ TYR A 38 77.796 9.880 3.154 1.00 0.00 C ATOM 677 OH TYR A 38 78.217 11.073 2.600 1.00 0.00 O ATOM 0 H TYR A 38 75.431 4.376 6.219 1.00 0.00 H new ATOM 0 HA TYR A 38 76.754 6.744 6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.309 5.453 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.706 5.709 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.546 7.738 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.437 7.464 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 38 79.299 9.881 4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.199 9.603 1.739 1.00 0.00 H new ATOM 0 HH TYR A 38 77.650 11.295 1.832 1.00 0.00 H new ATOM 687 N LYS A 39 73.690 7.140 5.783 1.00 0.00 N ATOM 688 CA LYS A 39 72.606 8.100 5.679 1.00 0.00 C ATOM 689 C LYS A 39 72.238 8.660 7.045 1.00 0.00 C ATOM 690 O LYS A 39 71.946 9.847 7.175 1.00 0.00 O ATOM 691 CB LYS A 39 71.378 7.433 5.059 1.00 0.00 C ATOM 692 CG LYS A 39 71.613 7.210 3.562 1.00 0.00 C ATOM 693 CD LYS A 39 70.933 5.910 3.121 1.00 0.00 C ATOM 694 CE LYS A 39 69.431 5.998 3.396 1.00 0.00 C ATOM 695 NZ LYS A 39 69.089 5.132 4.560 1.00 0.00 N ATOM 0 H LYS A 39 73.453 6.196 5.476 1.00 0.00 H new ATOM 0 HA LYS A 39 72.942 8.921 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.181 6.481 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.498 8.058 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.216 8.051 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.682 7.161 3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 39 71.109 5.738 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.362 5.063 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.148 7.030 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.870 5.682 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.339 5.584 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.757 4.207 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.933 4.999 5.154 1.00 0.00 H new ATOM 709 N GLN A 40 72.235 7.797 8.057 1.00 0.00 N ATOM 710 CA GLN A 40 71.881 8.229 9.404 1.00 0.00 C ATOM 711 C GLN A 40 72.836 9.307 9.906 1.00 0.00 C ATOM 712 O GLN A 40 72.409 10.335 10.427 1.00 0.00 O ATOM 713 CB GLN A 40 71.935 7.031 10.356 1.00 0.00 C ATOM 714 CG GLN A 40 70.783 6.075 10.047 1.00 0.00 C ATOM 715 CD GLN A 40 70.840 4.870 10.980 1.00 0.00 C ATOM 716 OE1 GLN A 40 70.810 3.666 10.476 1.00 0.00 O flip ATOM 717 NE2 GLN A 40 70.917 5.029 12.199 1.00 0.00 N flip ATOM 0 H GLN A 40 72.470 6.808 7.972 1.00 0.00 H new ATOM 0 HA GLN A 40 70.873 8.643 9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.888 6.513 10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.870 7.372 11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 40 69.830 6.591 10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.842 5.745 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.940 5.971 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.958 4.219 12.817 1.00 0.00 H new ATOM 726 N VAL A 41 74.128 9.079 9.719 1.00 0.00 N ATOM 727 CA VAL A 41 75.134 10.047 10.145 1.00 0.00 C ATOM 728 C VAL A 41 75.008 11.353 9.378 1.00 0.00 C ATOM 729 O VAL A 41 75.131 12.436 9.954 1.00 0.00 O ATOM 730 CB VAL A 41 76.534 9.465 9.954 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.576 10.566 10.134 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.781 8.360 10.993 1.00 0.00 C ATOM 0 H VAL A 41 74.505 8.239 9.279 1.00 0.00 H new ATOM 0 HA VAL A 41 74.969 10.259 11.201 1.00 0.00 H new ATOM 0 HB VAL A 41 76.614 9.047 8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.574 10.149 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.407 11.351 9.397 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.492 10.986 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.780 7.947 10.854 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.697 8.778 11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.041 7.570 10.867 1.00 0.00 H new ATOM 742 N LYS A 42 74.762 11.245 8.081 1.00 0.00 N ATOM 743 CA LYS A 42 74.617 12.425 7.243 1.00 0.00 C ATOM 744 C LYS A 42 73.172 12.895 7.205 1.00 0.00 C ATOM 745 O LYS A 42 72.865 13.939 6.625 1.00 0.00 O ATOM 746 CB LYS A 42 75.098 12.114 5.824 1.00 0.00 C ATOM 747 CG LYS A 42 76.624 11.994 5.805 1.00 0.00 C ATOM 748 CD LYS A 42 77.260 13.368 6.054 1.00 0.00 C ATOM 749 CE LYS A 42 78.605 13.445 5.347 1.00 0.00 C ATOM 750 NZ LYS A 42 78.390 13.703 3.896 1.00 0.00 N ATOM 0 H LYS A 42 74.659 10.358 7.588 1.00 0.00 H new ATOM 0 HA LYS A 42 75.225 13.223 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.647 11.186 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.778 12.901 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.951 11.288 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.954 11.600 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.601 14.156 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.391 13.531 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.212 14.239 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.154 12.513 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.179 14.268 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.341 12.798 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.499 14.223 3.764 1.00 0.00 H new ATOM 764 N GLN A 43 72.288 12.124 7.828 1.00 0.00 N ATOM 765 CA GLN A 43 70.875 12.476 7.861 1.00 0.00 C ATOM 766 C GLN A 43 70.364 12.794 6.460 1.00 0.00 C ATOM 767 O GLN A 43 69.709 13.814 6.249 1.00 0.00 O ATOM 768 CB GLN A 43 70.658 13.682 8.771 1.00 0.00 C ATOM 769 CG GLN A 43 71.151 13.352 10.180 1.00 0.00 C ATOM 770 CD GLN A 43 70.892 14.530 11.113 1.00 0.00 C ATOM 771 OE1 GLN A 43 69.739 14.880 11.364 1.00 0.00 O ATOM 772 NE2 GLN A 43 71.901 15.167 11.642 1.00 0.00 N ATOM 0 H GLN A 43 72.523 11.258 8.313 1.00 0.00 H new ATOM 0 HA GLN A 43 70.320 11.623 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.194 14.547 8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.601 13.946 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.642 12.463 10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 43 72.216 13.123 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 43 72.855 14.875 11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 43 71.735 15.957 12.265 1.00 0.00 H new ATOM 781 N VAL A 44 70.672 11.921 5.509 1.00 0.00 N ATOM 782 CA VAL A 44 70.247 12.115 4.124 1.00 0.00 C ATOM 783 C VAL A 44 69.560 10.862 3.596 1.00 0.00 C ATOM 784 O VAL A 44 69.319 9.914 4.342 1.00 0.00 O ATOM 785 CB VAL A 44 71.446 12.454 3.239 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.037 13.801 3.665 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.507 11.365 3.385 1.00 0.00 C ATOM 0 H VAL A 44 71.214 11.072 5.669 1.00 0.00 H new ATOM 0 HA VAL A 44 69.541 12.945 4.099 1.00 0.00 H new ATOM 0 HB VAL A 44 71.123 12.514 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.892 14.040 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.281 14.579 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.360 13.744 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.363 11.605 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.827 11.306 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.089 10.406 3.079 1.00 0.00 H new ATOM 797 N ALA A 45 69.239 10.869 2.307 1.00 0.00 N ATOM 798 CA ALA A 45 68.571 9.730 1.689 1.00 0.00 C ATOM 799 C ALA A 45 69.142 9.457 0.302 1.00 0.00 C ATOM 800 O ALA A 45 68.514 8.787 -0.518 1.00 0.00 O ATOM 801 CB ALA A 45 67.069 10.000 1.582 1.00 0.00 C ATOM 0 H ALA A 45 69.429 11.645 1.673 1.00 0.00 H new ATOM 0 HA ALA A 45 68.739 8.853 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.578 9.144 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.656 10.161 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.901 10.888 0.972 1.00 0.00 H new ATOM 807 N MET A 46 70.335 9.982 0.047 1.00 0.00 N ATOM 808 CA MET A 46 70.982 9.790 -1.246 1.00 0.00 C ATOM 809 C MET A 46 72.488 9.989 -1.128 1.00 0.00 C ATOM 810 O MET A 46 72.956 10.733 -0.268 1.00 0.00 O ATOM 811 CB MET A 46 70.414 10.787 -2.261 1.00 0.00 C ATOM 812 CG MET A 46 70.582 12.214 -1.728 1.00 0.00 C ATOM 813 SD MET A 46 71.770 13.108 -2.760 1.00 0.00 S ATOM 814 CE MET A 46 72.024 14.513 -1.645 1.00 0.00 C ATOM 0 H MET A 46 70.871 10.540 0.712 1.00 0.00 H new ATOM 0 HA MET A 46 70.788 8.771 -1.582 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.928 10.682 -3.216 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.360 10.577 -2.442 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.622 12.730 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.928 12.189 -0.695 1.00 0.00 H new ATOM 0 HE1 MET A 46 72.737 15.207 -2.091 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.075 15.023 -1.481 1.00 0.00 H new ATOM 0 HE3 MET A 46 72.413 14.155 -0.692 1.00 0.00 H new ATOM 824 N VAL A 47 73.240 9.319 -2.000 1.00 0.00 N ATOM 825 CA VAL A 47 74.694 9.432 -1.985 1.00 0.00 C ATOM 826 C VAL A 47 75.200 9.866 -3.357 1.00 0.00 C ATOM 827 O VAL A 47 74.744 9.367 -4.382 1.00 0.00 O ATOM 828 CB VAL A 47 75.322 8.094 -1.609 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.819 8.287 -1.362 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.652 7.559 -0.348 1.00 0.00 C ATOM 0 H VAL A 47 72.869 8.698 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 47 74.977 10.180 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 47 75.182 7.380 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.270 7.332 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.291 8.669 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.965 8.998 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 47 75.099 6.603 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.791 8.269 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.586 7.423 -0.532 1.00 0.00 H new ATOM 840 N ASP A 48 76.131 10.816 -3.368 1.00 0.00 N ATOM 841 CA ASP A 48 76.683 11.315 -4.622 1.00 0.00 C ATOM 842 C ASP A 48 77.492 10.230 -5.326 1.00 0.00 C ATOM 843 O ASP A 48 78.348 9.589 -4.716 1.00 0.00 O ATOM 844 CB ASP A 48 77.583 12.524 -4.350 1.00 0.00 C ATOM 845 CG ASP A 48 76.733 13.725 -3.954 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.527 13.653 -4.121 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.301 14.701 -3.491 1.00 0.00 O ATOM 0 H ASP A 48 76.516 11.252 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 48 75.855 11.611 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.290 12.290 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.169 12.759 -5.238 1.00 0.00 H new ATOM 852 N ARG A 49 77.226 10.041 -6.616 1.00 0.00 N ATOM 853 CA ARG A 49 77.941 9.037 -7.394 1.00 0.00 C ATOM 854 C ARG A 49 78.237 9.556 -8.793 1.00 0.00 C ATOM 855 O ARG A 49 77.689 10.582 -9.215 1.00 0.00 O ATOM 856 CB ARG A 49 77.119 7.753 -7.490 1.00 0.00 C ATOM 857 CG ARG A 49 76.646 7.344 -6.095 1.00 0.00 C ATOM 858 CD ARG A 49 76.320 5.854 -6.077 1.00 0.00 C ATOM 859 NE ARG A 49 75.630 5.500 -4.844 1.00 0.00 N ATOM 860 CZ ARG A 49 75.494 4.232 -4.473 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.989 3.278 -5.214 1.00 0.00 N ATOM 862 NH2 ARG A 49 74.867 3.939 -3.365 1.00 0.00 N ATOM 0 H ARG A 49 76.526 10.566 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 49 78.882 8.823 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.262 7.906 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.719 6.957 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.419 7.566 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.765 7.922 -5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.697 5.601 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 49 77.238 5.273 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 49 75.245 6.239 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 49 76.480 3.506 -6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.884 2.304 -4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 49 74.482 4.684 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 49 74.763 2.965 -3.080 1.00 0.00 H new ATOM 876 N TRP A 50 79.109 8.847 -9.508 1.00 0.00 N ATOM 877 CA TRP A 50 79.466 9.263 -10.855 1.00 0.00 C ATOM 878 C TRP A 50 78.645 8.505 -11.903 1.00 0.00 C ATOM 879 O TRP A 50 78.424 7.313 -11.771 1.00 0.00 O ATOM 880 CB TRP A 50 80.948 9.020 -11.116 1.00 0.00 C ATOM 881 CG TRP A 50 81.748 9.842 -10.161 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.971 9.528 -8.864 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.447 11.098 -10.403 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.748 10.520 -8.291 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.072 11.505 -9.202 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.595 11.916 -11.537 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.819 12.681 -9.127 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.345 13.102 -11.465 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.956 13.482 -10.263 1.00 0.00 C ATOM 0 H TRP A 50 79.571 7.998 -9.182 1.00 0.00 H new ATOM 0 HA TRP A 50 79.250 10.328 -10.935 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.184 7.963 -10.993 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.198 9.285 -12.143 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.603 8.647 -8.358 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.045 10.523 -7.315 1.00 0.00 H new ATOM 0 HE3 TRP A 50 82.129 11.631 -12.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.288 12.970 -8.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.451 13.724 -12.341 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.533 14.394 -10.215 1.00 0.00 H new ATOM 900 N PRO A 51 78.204 9.160 -12.938 1.00 0.00 N ATOM 901 CA PRO A 51 77.387 8.517 -14.012 1.00 0.00 C ATOM 902 C PRO A 51 78.169 7.457 -14.781 1.00 0.00 C ATOM 903 O PRO A 51 77.592 6.520 -15.331 1.00 0.00 O ATOM 904 CB PRO A 51 77.010 9.690 -14.920 1.00 0.00 C ATOM 905 CG PRO A 51 78.051 10.724 -14.666 1.00 0.00 C ATOM 906 CD PRO A 51 78.446 10.580 -13.217 1.00 0.00 C ATOM 0 HA PRO A 51 76.525 7.985 -13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.999 9.390 -15.968 1.00 0.00 H new ATOM 0 HB3 PRO A 51 76.014 10.066 -14.686 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.911 10.579 -15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.664 11.723 -14.866 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.490 10.849 -13.057 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.848 11.224 -12.572 1.00 0.00 H new ATOM 914 N GLU A 52 79.484 7.635 -14.845 1.00 0.00 N ATOM 915 CA GLU A 52 80.328 6.699 -15.585 1.00 0.00 C ATOM 916 C GLU A 52 80.046 5.265 -15.158 1.00 0.00 C ATOM 917 O GLU A 52 79.763 4.408 -15.996 1.00 0.00 O ATOM 918 CB GLU A 52 81.803 7.018 -15.318 1.00 0.00 C ATOM 919 CG GLU A 52 82.130 8.415 -15.845 1.00 0.00 C ATOM 920 CD GLU A 52 82.056 8.429 -17.366 1.00 0.00 C ATOM 921 OE1 GLU A 52 82.112 7.361 -17.954 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.942 9.509 -17.925 1.00 0.00 O ATOM 0 H GLU A 52 79.984 8.405 -14.402 1.00 0.00 H new ATOM 0 HA GLU A 52 80.107 6.802 -16.647 1.00 0.00 H new ATOM 0 HB2 GLU A 52 82.009 6.964 -14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.439 6.277 -15.803 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.430 9.141 -15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 52 83.127 8.712 -15.519 1.00 0.00 H new ATOM 929 N THR A 53 80.109 5.011 -13.856 1.00 0.00 N ATOM 930 CA THR A 53 79.845 3.675 -13.332 1.00 0.00 C ATOM 931 C THR A 53 78.785 3.720 -12.240 1.00 0.00 C ATOM 932 O THR A 53 78.045 2.756 -12.038 1.00 0.00 O ATOM 933 CB THR A 53 81.134 3.086 -12.772 1.00 0.00 C ATOM 934 OG1 THR A 53 81.697 4.018 -11.867 1.00 0.00 O ATOM 935 CG2 THR A 53 82.120 2.810 -13.907 1.00 0.00 C ATOM 0 H THR A 53 80.339 5.707 -13.147 1.00 0.00 H new ATOM 0 HA THR A 53 79.475 3.050 -14.144 1.00 0.00 H new ATOM 0 HB THR A 53 80.920 2.147 -12.261 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.874 3.576 -11.010 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.038 2.389 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.678 2.102 -14.609 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.348 3.741 -14.426 1.00 0.00 H new ATOM 943 N GLY A 54 78.707 4.849 -11.539 1.00 0.00 N ATOM 944 CA GLY A 54 77.725 4.994 -10.466 1.00 0.00 C ATOM 945 C GLY A 54 78.326 4.645 -9.117 1.00 0.00 C ATOM 946 O GLY A 54 77.606 4.285 -8.190 1.00 0.00 O ATOM 0 H GLY A 54 79.301 5.664 -11.690 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.353 6.018 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.870 4.348 -10.663 1.00 0.00 H new ATOM 950 N TYR A 55 79.648 4.747 -9.014 1.00 0.00 N ATOM 951 CA TYR A 55 80.330 4.442 -7.764 1.00 0.00 C ATOM 952 C TYR A 55 80.245 5.612 -6.804 1.00 0.00 C ATOM 953 O TYR A 55 79.955 6.735 -7.212 1.00 0.00 O ATOM 954 CB TYR A 55 81.799 4.096 -8.032 1.00 0.00 C ATOM 955 CG TYR A 55 81.899 2.781 -8.780 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.182 1.651 -8.354 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.713 2.693 -9.911 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.276 0.460 -9.052 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.808 1.488 -10.617 1.00 0.00 C ATOM 960 CZ TYR A 55 82.085 0.372 -10.187 1.00 0.00 C ATOM 961 OH TYR A 55 82.172 -0.819 -10.874 1.00 0.00 O ATOM 0 H TYR A 55 80.262 5.036 -9.775 1.00 0.00 H new ATOM 0 HA TYR A 55 79.837 3.583 -7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.267 4.890 -8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.342 4.029 -7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.554 1.712 -7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.271 3.557 -10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.722 -0.405 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.438 1.421 -11.491 1.00 0.00 H new ATOM 0 HH TYR A 55 82.553 -1.507 -10.289 1.00 0.00 H new ATOM 971 N VAL A 56 80.484 5.334 -5.518 1.00 0.00 N ATOM 972 CA VAL A 56 80.416 6.378 -4.505 1.00 0.00 C ATOM 973 C VAL A 56 81.431 7.473 -4.808 1.00 0.00 C ATOM 974 O VAL A 56 82.622 7.205 -4.947 1.00 0.00 O ATOM 975 CB VAL A 56 80.702 5.781 -3.123 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.683 6.887 -2.068 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.631 4.740 -2.785 1.00 0.00 C ATOM 0 H VAL A 56 80.722 4.408 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 56 79.415 6.809 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 56 81.684 5.308 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.887 6.458 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.446 7.629 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.703 7.364 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.834 4.315 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.650 5.216 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.645 3.947 -3.533 1.00 0.00 H new ATOM 987 N LYS A 57 80.948 8.707 -4.907 1.00 0.00 N ATOM 988 CA LYS A 57 81.820 9.841 -5.184 1.00 0.00 C ATOM 989 C LYS A 57 82.575 10.271 -3.934 1.00 0.00 C ATOM 990 O LYS A 57 83.794 10.448 -3.961 1.00 0.00 O ATOM 991 CB LYS A 57 81.000 11.011 -5.726 1.00 0.00 C ATOM 992 CG LYS A 57 81.891 12.247 -5.849 1.00 0.00 C ATOM 993 CD LYS A 57 81.208 13.283 -6.742 1.00 0.00 C ATOM 994 CE LYS A 57 82.007 14.589 -6.721 1.00 0.00 C ATOM 995 NZ LYS A 57 81.799 15.275 -5.416 1.00 0.00 N ATOM 0 H LYS A 57 79.962 8.946 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 57 82.549 9.533 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.580 10.754 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.161 11.219 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.081 12.671 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.858 11.971 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.135 12.906 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.190 13.462 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.067 14.382 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.690 15.236 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.074 16.274 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.796 15.214 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.381 14.817 -4.686 1.00 0.00 H new ATOM 1009 N LYS A 58 81.842 10.432 -2.837 1.00 0.00 N ATOM 1010 CA LYS A 58 82.457 10.840 -1.581 1.00 0.00 C ATOM 1011 C LYS A 58 81.791 10.128 -0.413 1.00 0.00 C ATOM 1012 O LYS A 58 80.584 9.896 -0.428 1.00 0.00 O ATOM 1013 CB LYS A 58 82.318 12.357 -1.404 1.00 0.00 C ATOM 1014 CG LYS A 58 80.855 12.720 -1.131 1.00 0.00 C ATOM 1015 CD LYS A 58 80.685 14.237 -1.180 1.00 0.00 C ATOM 1016 CE LYS A 58 79.258 14.603 -0.767 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.067 16.076 -0.889 1.00 0.00 N ATOM 0 H LYS A 58 80.833 10.288 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 58 83.513 10.572 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 58 82.945 12.694 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 82.668 12.870 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.209 12.248 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.552 12.341 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.402 14.716 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 58 80.890 14.604 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 58 78.540 14.079 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.072 14.285 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.097 16.325 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.743 16.566 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 79.227 16.366 -1.875 1.00 0.00 H new ATOM 1031 N LEU A 59 82.584 9.799 0.605 1.00 0.00 N ATOM 1032 CA LEU A 59 82.048 9.125 1.779 1.00 0.00 C ATOM 1033 C LEU A 59 82.800 9.553 3.036 1.00 0.00 C ATOM 1034 O LEU A 59 84.017 9.401 3.131 1.00 0.00 O ATOM 1035 CB LEU A 59 82.173 7.611 1.600 1.00 0.00 C ATOM 1036 CG LEU A 59 80.961 6.905 2.168 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.706 7.323 1.400 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.134 5.389 2.061 1.00 0.00 C ATOM 0 H LEU A 59 83.586 9.986 0.639 1.00 0.00 H new ATOM 0 HA LEU A 59 80.999 9.399 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.277 7.372 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.075 7.254 2.097 1.00 0.00 H new ATOM 0 HG LEU A 59 80.857 7.183 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.838 6.811 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.568 8.401 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.817 7.056 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.255 4.893 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.251 5.109 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.019 5.083 2.620 1.00 0.00 H new ATOM 1050 N GLN A 60 82.059 10.091 4.002 1.00 0.00 N ATOM 1051 CA GLN A 60 82.659 10.540 5.254 1.00 0.00 C ATOM 1052 C GLN A 60 82.885 9.357 6.188 1.00 0.00 C ATOM 1053 O GLN A 60 82.018 8.499 6.349 1.00 0.00 O ATOM 1054 CB GLN A 60 81.751 11.558 5.938 1.00 0.00 C ATOM 1055 CG GLN A 60 82.528 12.265 7.052 1.00 0.00 C ATOM 1056 CD GLN A 60 81.550 12.908 8.032 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.487 12.348 8.304 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.853 14.044 8.593 1.00 0.00 N ATOM 0 H GLN A 60 81.050 10.226 3.942 1.00 0.00 H new ATOM 0 HA GLN A 60 83.618 11.006 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.391 12.287 5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 60 80.874 11.060 6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.165 11.551 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.183 13.025 6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.734 14.506 8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.210 14.472 9.259 1.00 0.00 H new ATOM 1067 N ARG A 61 84.069 9.304 6.780 1.00 0.00 N ATOM 1068 CA ARG A 61 84.416 8.208 7.680 1.00 0.00 C ATOM 1069 C ARG A 61 83.708 8.366 9.022 1.00 0.00 C ATOM 1070 O ARG A 61 83.143 9.417 9.327 1.00 0.00 O ATOM 1071 CB ARG A 61 85.931 8.160 7.902 1.00 0.00 C ATOM 1072 CG ARG A 61 86.649 8.262 6.554 1.00 0.00 C ATOM 1073 CD ARG A 61 87.891 7.369 6.562 1.00 0.00 C ATOM 1074 NE ARG A 61 88.793 7.766 7.636 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.771 6.962 8.042 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.936 5.797 7.477 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.565 7.338 9.006 1.00 0.00 N ATOM 0 H ARG A 61 84.803 10.001 6.656 1.00 0.00 H new ATOM 0 HA ARG A 61 84.091 7.276 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.240 8.978 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.206 7.232 8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 61 85.978 7.960 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 61 86.934 9.296 6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.597 6.327 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.404 7.439 5.603 1.00 0.00 H new ATOM 0 HE ARG A 61 88.672 8.675 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.314 5.503 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 61 90.686 5.181 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.435 8.248 9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.316 6.722 9.318 1.00 0.00 H new ATOM 1091 N ARG A 62 83.776 7.326 9.838 1.00 0.00 N ATOM 1092 CA ARG A 62 83.162 7.366 11.163 1.00 0.00 C ATOM 1093 C ARG A 62 83.922 8.328 12.069 1.00 0.00 C ATOM 1094 O ARG A 62 83.505 8.598 13.196 1.00 0.00 O ATOM 1095 CB ARG A 62 83.143 5.974 11.793 1.00 0.00 C ATOM 1096 CG ARG A 62 81.770 5.321 11.578 1.00 0.00 C ATOM 1097 CD ARG A 62 81.465 4.398 12.742 1.00 0.00 C ATOM 1098 NE ARG A 62 81.249 5.176 13.960 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.841 4.592 15.084 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.620 3.306 15.111 1.00 0.00 N ATOM 1101 NH2 ARG A 62 80.660 5.307 16.162 1.00 0.00 N ATOM 0 H ARG A 62 84.245 6.449 9.612 1.00 0.00 H new ATOM 0 HA ARG A 62 82.135 7.714 11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.923 5.355 11.351 1.00 0.00 H new ATOM 0 HB3 ARG A 62 83.359 6.045 12.859 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.999 6.087 11.495 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.764 4.760 10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 62 80.580 3.802 12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.290 3.701 12.889 1.00 0.00 H new ATOM 0 HE ARG A 62 81.414 6.183 13.948 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.760 2.747 14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 62 80.307 2.860 15.974 1.00 0.00 H new ATOM 0 HH21 ARG A 62 80.831 6.312 16.142 1.00 0.00 H new ATOM 0 HH22 ARG A 62 80.347 4.860 17.024 1.00 0.00 H new ATOM 1115 N ASP A 63 85.037 8.845 11.566 1.00 0.00 N ATOM 1116 CA ASP A 63 85.849 9.784 12.327 1.00 0.00 C ATOM 1117 C ASP A 63 85.578 11.211 11.886 1.00 0.00 C ATOM 1118 O ASP A 63 86.319 12.119 12.255 1.00 0.00 O ATOM 1119 CB ASP A 63 87.329 9.471 12.153 1.00 0.00 C ATOM 1120 CG ASP A 63 87.671 8.166 12.863 1.00 0.00 C ATOM 1121 OD1 ASP A 63 86.850 7.705 13.640 1.00 0.00 O ATOM 1122 OD2 ASP A 63 88.749 7.650 12.621 1.00 0.00 O ATOM 0 H ASP A 63 85.398 8.630 10.637 1.00 0.00 H new ATOM 0 HA ASP A 63 85.582 9.682 13.379 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.571 9.392 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 63 87.932 10.284 12.558 1.00 0.00 H new ATOM 1127 N ASN A 64 84.524 11.399 11.094 1.00 0.00 N ATOM 1128 CA ASN A 64 84.165 12.721 10.606 1.00 0.00 C ATOM 1129 C ASN A 64 85.229 13.265 9.660 1.00 0.00 C ATOM 1130 O ASN A 64 85.501 14.465 9.644 1.00 0.00 O ATOM 1131 CB ASN A 64 83.983 13.683 11.779 1.00 0.00 C ATOM 1132 CG ASN A 64 83.021 13.086 12.799 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.124 12.326 12.439 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.149 13.399 14.058 1.00 0.00 N ATOM 0 H ASN A 64 83.907 10.651 10.779 1.00 0.00 H new ATOM 0 HA ASN A 64 83.227 12.633 10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 84.946 13.883 12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.599 14.638 11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 64 82.504 13.013 14.748 1.00 0.00 H new ATOM 0 HD22 ASN A 64 83.894 14.030 14.354 1.00 0.00 H new ATOM 1141 N THR A 65 85.807 12.372 8.860 1.00 0.00 N ATOM 1142 CA THR A 65 86.825 12.774 7.891 1.00 0.00 C ATOM 1143 C THR A 65 86.342 12.496 6.473 1.00 0.00 C ATOM 1144 O THR A 65 85.934 11.381 6.152 1.00 0.00 O ATOM 1145 CB THR A 65 88.126 12.015 8.152 1.00 0.00 C ATOM 1146 OG1 THR A 65 87.850 10.632 8.301 1.00 0.00 O ATOM 1147 CG2 THR A 65 88.781 12.550 9.424 1.00 0.00 C ATOM 0 H THR A 65 85.591 11.375 8.862 1.00 0.00 H new ATOM 0 HA THR A 65 87.007 13.843 8.000 1.00 0.00 H new ATOM 0 HB THR A 65 88.803 12.156 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.280 10.299 9.116 1.00 0.00 H new ATOM 0 HG21 THR A 65 89.709 12.009 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 65 88.998 13.611 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.104 12.412 10.267 1.00 0.00 H new ATOM 1155 N PHE A 66 86.379 13.520 5.630 1.00 0.00 N ATOM 1156 CA PHE A 66 85.928 13.369 4.250 1.00 0.00 C ATOM 1157 C PHE A 66 86.897 12.499 3.461 1.00 0.00 C ATOM 1158 O PHE A 66 88.082 12.816 3.359 1.00 0.00 O ATOM 1159 CB PHE A 66 85.827 14.747 3.582 1.00 0.00 C ATOM 1160 CG PHE A 66 84.648 15.500 4.149 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.345 15.118 3.805 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.854 16.577 5.018 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.249 15.814 4.330 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.758 17.273 5.545 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.456 16.892 5.199 1.00 0.00 C ATOM 0 H PHE A 66 86.712 14.453 5.872 1.00 0.00 H new ATOM 0 HA PHE A 66 84.949 12.890 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.745 15.311 3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.714 14.632 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.186 14.286 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.859 16.872 5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.244 15.519 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.918 18.103 6.218 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.611 17.430 5.603 1.00 0.00 H new ATOM 1175 N PHE A 67 86.383 11.404 2.900 1.00 0.00 N ATOM 1176 CA PHE A 67 87.210 10.494 2.117 1.00 0.00 C ATOM 1177 C PHE A 67 86.626 10.331 0.717 1.00 0.00 C ATOM 1178 O PHE A 67 85.536 9.784 0.550 1.00 0.00 O ATOM 1179 CB PHE A 67 87.285 9.132 2.804 1.00 0.00 C ATOM 1180 CG PHE A 67 88.347 8.292 2.137 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.044 7.576 0.973 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.637 8.235 2.676 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.028 6.799 0.351 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.622 7.458 2.056 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.317 6.740 0.893 1.00 0.00 C ATOM 0 H PHE A 67 85.403 11.129 2.974 1.00 0.00 H new ATOM 0 HA PHE A 67 88.214 10.911 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.517 9.258 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.319 8.630 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.050 7.623 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 67 89.873 8.791 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.793 6.246 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.617 7.412 2.474 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.077 6.140 0.414 1.00 0.00 H new ATOM 1195 N TYR A 68 87.352 10.823 -0.281 1.00 0.00 N ATOM 1196 CA TYR A 68 86.889 10.734 -1.659 1.00 0.00 C ATOM 1197 C TYR A 68 87.226 9.371 -2.256 1.00 0.00 C ATOM 1198 O TYR A 68 88.330 8.859 -2.066 1.00 0.00 O ATOM 1199 CB TYR A 68 87.544 11.837 -2.499 1.00 0.00 C ATOM 1200 CG TYR A 68 87.113 13.189 -1.983 1.00 0.00 C ATOM 1201 CD1 TYR A 68 85.852 13.697 -2.313 1.00 0.00 C ATOM 1202 CD2 TYR A 68 87.977 13.933 -1.168 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.453 14.950 -1.832 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.577 15.187 -0.688 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.316 15.695 -1.020 1.00 0.00 C ATOM 1206 OH TYR A 68 85.924 16.930 -0.545 1.00 0.00 O ATOM 0 H TYR A 68 88.255 11.283 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 68 85.806 10.861 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.629 11.748 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.260 11.728 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.186 13.122 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 68 88.950 13.540 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.479 15.342 -2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.242 15.762 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 68 86.641 17.312 0.004 1.00 0.00 H new ATOM 1216 N TYR A 69 86.279 8.803 -2.993 1.00 0.00 N ATOM 1217 CA TYR A 69 86.482 7.507 -3.631 1.00 0.00 C ATOM 1218 C TYR A 69 86.685 7.680 -5.131 1.00 0.00 C ATOM 1219 O TYR A 69 86.210 8.653 -5.721 1.00 0.00 O ATOM 1220 CB TYR A 69 85.295 6.589 -3.365 1.00 0.00 C ATOM 1221 CG TYR A 69 85.415 5.994 -1.982 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.095 4.780 -1.804 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.850 6.647 -0.880 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.210 4.221 -0.524 1.00 0.00 C ATOM 1225 CE2 TYR A 69 84.968 6.080 0.394 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.645 4.873 0.572 1.00 0.00 C ATOM 1227 OH TYR A 69 85.756 4.328 1.832 1.00 0.00 O ATOM 0 H TYR A 69 85.363 9.219 -3.164 1.00 0.00 H new ATOM 0 HA TYR A 69 87.377 7.052 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.363 7.148 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.261 5.796 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.530 4.276 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.326 7.582 -1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 69 86.735 3.287 -0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.532 6.580 1.246 1.00 0.00 H new ATOM 0 HH TYR A 69 84.917 3.881 2.070 1.00 0.00 H new ATOM 1237 N ASN A 70 87.387 6.734 -5.745 1.00 0.00 N ATOM 1238 CA ASN A 70 87.644 6.799 -7.180 1.00 0.00 C ATOM 1239 C ASN A 70 86.638 5.947 -7.950 1.00 0.00 C ATOM 1240 O ASN A 70 86.323 4.825 -7.549 1.00 0.00 O ATOM 1241 CB ASN A 70 89.064 6.305 -7.472 1.00 0.00 C ATOM 1242 CG ASN A 70 89.061 4.795 -7.685 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.921 4.328 -8.814 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.201 4.000 -6.660 1.00 0.00 N ATOM 0 H ASN A 70 87.785 5.920 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 70 87.541 7.835 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.456 6.804 -8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.724 6.562 -6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.194 2.989 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.317 4.390 -5.725 1.00 0.00 H new ATOM 1251 N LYS A 71 86.143 6.487 -9.060 1.00 0.00 N ATOM 1252 CA LYS A 71 85.180 5.770 -9.889 1.00 0.00 C ATOM 1253 C LYS A 71 85.889 4.731 -10.757 1.00 0.00 C ATOM 1254 O LYS A 71 85.309 3.724 -11.147 1.00 0.00 O ATOM 1255 CB LYS A 71 84.406 6.751 -10.763 1.00 0.00 C ATOM 1256 CG LYS A 71 85.388 7.674 -11.477 1.00 0.00 C ATOM 1257 CD LYS A 71 84.769 8.165 -12.782 1.00 0.00 C ATOM 1258 CE LYS A 71 85.715 9.164 -13.449 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.556 10.504 -12.812 1.00 0.00 N ATOM 0 H LYS A 71 86.391 7.414 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 71 84.478 5.252 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.803 6.209 -11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.718 7.336 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.636 8.522 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.319 7.145 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.583 7.323 -13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.805 8.635 -12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.746 8.824 -13.353 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.499 9.229 -14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.825 11.245 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.565 10.638 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.168 10.564 -11.973 1.00 0.00 H new ATOM 1273 N GLU A 72 87.154 4.980 -11.054 1.00 0.00 N ATOM 1274 CA GLU A 72 87.929 4.048 -11.864 1.00 0.00 C ATOM 1275 C GLU A 72 88.251 2.811 -11.045 1.00 0.00 C ATOM 1276 O GLU A 72 89.410 2.422 -10.949 1.00 0.00 O ATOM 1277 CB GLU A 72 89.241 4.706 -12.303 1.00 0.00 C ATOM 1278 CG GLU A 72 88.939 5.974 -13.098 1.00 0.00 C ATOM 1279 CD GLU A 72 88.147 5.621 -14.353 1.00 0.00 C ATOM 1280 OE1 GLU A 72 88.265 4.494 -14.802 1.00 0.00 O ATOM 1281 OE2 GLU A 72 87.426 6.479 -14.834 1.00 0.00 O ATOM 0 H GLU A 72 87.664 5.810 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 72 87.346 3.772 -12.742 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.848 4.948 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.821 4.013 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.372 6.673 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.869 6.473 -13.372 1.00 0.00 H new ATOM 1288 N ARG A 73 87.216 2.204 -10.465 1.00 0.00 N ATOM 1289 CA ARG A 73 87.390 1.011 -9.646 1.00 0.00 C ATOM 1290 C ARG A 73 88.578 0.177 -10.110 1.00 0.00 C ATOM 1291 O ARG A 73 88.691 -0.149 -11.291 1.00 0.00 O ATOM 1292 CB ARG A 73 86.133 0.139 -9.699 1.00 0.00 C ATOM 1293 CG ARG A 73 85.527 0.029 -8.307 1.00 0.00 C ATOM 1294 CD ARG A 73 86.512 -0.679 -7.369 1.00 0.00 C ATOM 1295 NE ARG A 73 86.817 0.180 -6.228 1.00 0.00 N ATOM 1296 CZ ARG A 73 87.965 0.066 -5.568 1.00 0.00 C ATOM 1297 NH1 ARG A 73 88.844 -0.824 -5.942 1.00 0.00 N ATOM 1298 NH2 ARG A 73 88.213 0.840 -4.549 1.00 0.00 N ATOM 0 H ARG A 73 86.250 2.521 -10.549 1.00 0.00 H new ATOM 0 HA ARG A 73 87.572 1.349 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.408 0.571 -10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.382 -0.852 -10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.293 1.022 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 73 84.589 -0.525 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 73 86.085 -1.620 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 73 87.428 -0.923 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 73 86.137 0.880 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 73 88.649 -1.430 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 73 89.726 -0.913 -5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 73 87.526 1.535 -4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 73 89.095 0.751 -4.044 1.00 0.00 H new ATOM 1312 N GLU A 74 89.459 -0.165 -9.175 1.00 0.00 N ATOM 1313 CA GLU A 74 90.634 -0.968 -9.499 1.00 0.00 C ATOM 1314 C GLU A 74 90.679 -2.185 -8.578 1.00 0.00 C ATOM 1315 O GLU A 74 91.750 -2.614 -8.151 1.00 0.00 O ATOM 1316 CB GLU A 74 91.913 -0.151 -9.310 1.00 0.00 C ATOM 1317 CG GLU A 74 91.763 1.202 -10.002 1.00 0.00 C ATOM 1318 CD GLU A 74 93.105 1.922 -10.044 1.00 0.00 C ATOM 1319 OE1 GLU A 74 93.851 1.794 -9.087 1.00 0.00 O ATOM 1320 OE2 GLU A 74 93.364 2.592 -11.029 1.00 0.00 O ATOM 0 H GLU A 74 89.383 0.099 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 74 90.567 -1.283 -10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 74 92.111 -0.008 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 74 92.765 -0.690 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 74 91.386 1.061 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 74 91.031 1.811 -9.471 1.00 0.00 H new ATOM 1327 N CYS A 75 89.507 -2.736 -8.279 1.00 0.00 N ATOM 1328 CA CYS A 75 89.414 -3.902 -7.405 1.00 0.00 C ATOM 1329 C CYS A 75 89.586 -5.201 -8.185 1.00 0.00 C ATOM 1330 O CYS A 75 89.114 -5.327 -9.315 1.00 0.00 O ATOM 1331 CB CYS A 75 88.061 -3.911 -6.694 1.00 0.00 C ATOM 1332 SG CYS A 75 87.868 -5.449 -5.765 1.00 0.00 S ATOM 0 H CYS A 75 88.611 -2.396 -8.627 1.00 0.00 H new ATOM 0 HA CYS A 75 90.219 -3.835 -6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 75 87.988 -3.057 -6.021 1.00 0.00 H new ATOM 0 HB3 CYS A 75 87.256 -3.812 -7.423 1.00 0.00 H new ATOM 0 HG CYS A 75 86.877 -6.132 -6.257 1.00 0.00 H new ATOM 1338 N GLU A 76 90.268 -6.165 -7.572 1.00 0.00 N ATOM 1339 CA GLU A 76 90.501 -7.456 -8.209 1.00 0.00 C ATOM 1340 C GLU A 76 90.075 -8.591 -7.286 1.00 0.00 C ATOM 1341 O GLU A 76 89.711 -8.363 -6.131 1.00 0.00 O ATOM 1342 CB GLU A 76 91.979 -7.608 -8.568 1.00 0.00 C ATOM 1343 CG GLU A 76 92.262 -6.905 -9.895 1.00 0.00 C ATOM 1344 CD GLU A 76 91.668 -7.704 -11.049 1.00 0.00 C ATOM 1345 OE1 GLU A 76 92.359 -8.572 -11.558 1.00 0.00 O ATOM 1346 OE2 GLU A 76 90.531 -7.442 -11.404 1.00 0.00 O ATOM 0 H GLU A 76 90.668 -6.076 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 76 89.905 -7.502 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.600 -7.182 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.238 -8.664 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.838 -5.901 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.337 -6.794 -10.035 1.00 0.00 H new ATOM 1353 N ASP A 77 90.108 -9.813 -7.808 1.00 0.00 N ATOM 1354 CA ASP A 77 89.708 -10.976 -7.027 1.00 0.00 C ATOM 1355 C ASP A 77 90.421 -10.979 -5.682 1.00 0.00 C ATOM 1356 O ASP A 77 89.942 -11.585 -4.723 1.00 0.00 O ATOM 1357 CB ASP A 77 90.055 -12.259 -7.791 1.00 0.00 C ATOM 1358 CG ASP A 77 89.089 -12.452 -8.956 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.093 -11.750 -8.997 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.360 -13.300 -9.789 1.00 0.00 O ATOM 0 H ASP A 77 90.405 -10.022 -8.761 1.00 0.00 H new ATOM 0 HA ASP A 77 88.632 -10.931 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 77 91.079 -12.205 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 77 90.004 -13.116 -7.120 1.00 0.00 H new ATOM 1365 N LYS A 78 91.563 -10.300 -5.617 1.00 0.00 N ATOM 1366 CA LYS A 78 92.325 -10.232 -4.375 1.00 0.00 C ATOM 1367 C LYS A 78 91.515 -9.542 -3.278 1.00 0.00 C ATOM 1368 O LYS A 78 91.571 -9.929 -2.112 1.00 0.00 O ATOM 1369 CB LYS A 78 93.621 -9.445 -4.613 1.00 0.00 C ATOM 1370 CG LYS A 78 93.294 -7.964 -4.837 1.00 0.00 C ATOM 1371 CD LYS A 78 94.557 -7.222 -5.276 1.00 0.00 C ATOM 1372 CE LYS A 78 94.226 -5.745 -5.503 1.00 0.00 C ATOM 1373 NZ LYS A 78 93.808 -5.126 -4.212 1.00 0.00 N ATOM 0 H LYS A 78 91.977 -9.795 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 78 92.555 -11.248 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.287 -9.555 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.147 -9.846 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.518 -7.863 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.902 -7.525 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 78 95.332 -7.320 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 78 94.951 -7.663 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.095 -5.224 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 78 93.429 -5.649 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 92.782 -4.958 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 94.045 -5.766 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 94.305 -4.222 -4.084 1.00 0.00 H new ATOM 1387 N GLU A 79 90.737 -8.537 -3.663 1.00 0.00 N ATOM 1388 CA GLU A 79 89.914 -7.807 -2.706 1.00 0.00 C ATOM 1389 C GLU A 79 88.614 -8.548 -2.451 1.00 0.00 C ATOM 1390 O GLU A 79 88.056 -8.487 -1.359 1.00 0.00 O ATOM 1391 CB GLU A 79 89.628 -6.400 -3.224 1.00 0.00 C ATOM 1392 CG GLU A 79 90.516 -5.390 -2.496 1.00 0.00 C ATOM 1393 CD GLU A 79 90.295 -3.994 -3.069 1.00 0.00 C ATOM 1394 OE1 GLU A 79 89.167 -3.690 -3.421 1.00 0.00 O ATOM 1395 OE2 GLU A 79 91.257 -3.247 -3.145 1.00 0.00 O ATOM 0 H GLU A 79 90.659 -8.210 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 79 90.459 -7.731 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.812 -6.353 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.578 -6.152 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.288 -5.395 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.563 -5.673 -2.600 1.00 0.00 H new ATOM 1402 N VAL A 80 88.124 -9.246 -3.465 1.00 0.00 N ATOM 1403 CA VAL A 80 86.877 -9.982 -3.319 1.00 0.00 C ATOM 1404 C VAL A 80 86.973 -10.955 -2.150 1.00 0.00 C ATOM 1405 O VAL A 80 86.071 -11.044 -1.326 1.00 0.00 O ATOM 1406 CB VAL A 80 86.600 -10.768 -4.606 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.423 -11.722 -4.404 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.266 -9.788 -5.740 1.00 0.00 C ATOM 0 H VAL A 80 88.562 -9.318 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 80 86.068 -9.276 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 80 87.487 -11.347 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.239 -12.273 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.656 -12.423 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.533 -11.151 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.069 -10.345 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.383 -9.208 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.108 -9.115 -5.899 1.00 0.00 H new ATOM 1418 N HIS A 81 88.060 -11.703 -2.106 1.00 0.00 N ATOM 1419 CA HIS A 81 88.261 -12.689 -1.044 1.00 0.00 C ATOM 1420 C HIS A 81 88.543 -12.008 0.288 1.00 0.00 C ATOM 1421 O HIS A 81 88.020 -12.417 1.329 1.00 0.00 O ATOM 1422 CB HIS A 81 89.430 -13.615 -1.391 1.00 0.00 C ATOM 1423 CG HIS A 81 89.462 -14.770 -0.427 1.00 0.00 C ATOM 1424 ND1 HIS A 81 90.091 -14.692 0.807 1.00 0.00 N ATOM 1425 CD2 HIS A 81 88.942 -16.041 -0.500 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.937 -15.881 1.418 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.244 -16.739 0.666 1.00 0.00 N ATOM 0 H HIS A 81 88.818 -11.652 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 81 87.344 -13.272 -0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.325 -13.983 -2.412 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.369 -13.064 -1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.384 -16.438 -1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 81 90.327 -16.113 2.398 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.990 -17.700 0.896 1.00 0.00 H new ATOM 1435 N LYS A 82 89.361 -10.957 0.249 1.00 0.00 N ATOM 1436 CA LYS A 82 89.698 -10.223 1.461 1.00 0.00 C ATOM 1437 C LYS A 82 88.495 -9.442 1.979 1.00 0.00 C ATOM 1438 O LYS A 82 88.402 -9.146 3.171 1.00 0.00 O ATOM 1439 CB LYS A 82 90.848 -9.263 1.180 1.00 0.00 C ATOM 1440 CG LYS A 82 92.125 -10.064 0.894 1.00 0.00 C ATOM 1441 CD LYS A 82 93.153 -9.814 1.997 1.00 0.00 C ATOM 1442 CE LYS A 82 93.749 -8.413 1.826 1.00 0.00 C ATOM 1443 NZ LYS A 82 94.992 -8.497 1.009 1.00 0.00 N ATOM 0 H LYS A 82 89.797 -10.600 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 82 89.997 -10.942 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.606 -8.628 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.003 -8.604 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.892 -11.127 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.538 -9.774 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.682 -9.904 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.942 -10.565 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.027 -7.756 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.971 -7.979 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 95.396 -7.546 0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 95.682 -9.110 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.767 -8.894 0.074 1.00 0.00 H new ATOM 1457 N VAL A 83 87.580 -9.111 1.080 1.00 0.00 N ATOM 1458 CA VAL A 83 86.383 -8.364 1.449 1.00 0.00 C ATOM 1459 C VAL A 83 85.286 -9.308 1.924 1.00 0.00 C ATOM 1460 O VAL A 83 85.062 -10.360 1.328 1.00 0.00 O ATOM 1461 CB VAL A 83 85.881 -7.551 0.260 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.527 -6.929 0.603 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.886 -6.438 -0.054 1.00 0.00 C ATOM 0 H VAL A 83 87.642 -9.347 0.090 1.00 0.00 H new ATOM 0 HA VAL A 83 86.641 -7.687 2.263 1.00 0.00 H new ATOM 0 HB VAL A 83 85.773 -8.203 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.168 -6.348 -0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.811 -7.719 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.635 -6.276 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.530 -5.855 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.991 -5.787 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.853 -6.879 -0.296 1.00 0.00 H new ATOM 1473 N LYS A 84 84.603 -8.928 3.000 1.00 0.00 N ATOM 1474 CA LYS A 84 83.531 -9.751 3.547 1.00 0.00 C ATOM 1475 C LYS A 84 82.175 -9.125 3.242 1.00 0.00 C ATOM 1476 O LYS A 84 82.084 -7.925 2.979 1.00 0.00 O ATOM 1477 CB LYS A 84 83.703 -9.886 5.064 1.00 0.00 C ATOM 1478 CG LYS A 84 83.342 -8.570 5.750 1.00 0.00 C ATOM 1479 CD LYS A 84 83.759 -8.636 7.217 1.00 0.00 C ATOM 1480 CE LYS A 84 83.064 -7.518 7.986 1.00 0.00 C ATOM 1481 NZ LYS A 84 83.497 -7.547 9.414 1.00 0.00 N ATOM 0 H LYS A 84 84.772 -8.060 3.508 1.00 0.00 H new ATOM 0 HA LYS A 84 83.578 -10.738 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.068 -10.688 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.732 -10.158 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 84 83.843 -7.739 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.270 -8.388 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.493 -9.605 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.841 -8.536 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 84 83.306 -6.553 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 84 81.982 -7.636 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 83.022 -6.784 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 83.244 -8.464 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 84.527 -7.414 9.467 1.00 0.00 H new ATOM 1495 N VAL A 85 81.124 -9.943 3.292 1.00 0.00 N ATOM 1496 CA VAL A 85 79.776 -9.450 3.030 1.00 0.00 C ATOM 1497 C VAL A 85 78.851 -9.790 4.195 1.00 0.00 C ATOM 1498 O VAL A 85 78.557 -10.958 4.447 1.00 0.00 O ATOM 1499 CB VAL A 85 79.235 -10.078 1.745 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.089 -9.224 1.203 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.354 -10.154 0.706 1.00 0.00 C ATOM 0 H VAL A 85 81.180 -10.938 3.509 1.00 0.00 H new ATOM 0 HA VAL A 85 79.816 -8.367 2.915 1.00 0.00 H new ATOM 0 HB VAL A 85 78.868 -11.082 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.703 -9.672 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.292 -9.172 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.453 -8.219 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.970 -10.602 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.722 -9.150 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.170 -10.765 1.094 1.00 0.00 H new ATOM 1511 N TYR A 86 78.399 -8.760 4.905 1.00 0.00 N ATOM 1512 CA TYR A 86 77.513 -8.963 6.046 1.00 0.00 C ATOM 1513 C TYR A 86 76.075 -9.136 5.576 1.00 0.00 C ATOM 1514 O TYR A 86 75.636 -8.467 4.640 1.00 0.00 O ATOM 1515 CB TYR A 86 77.600 -7.766 6.995 1.00 0.00 C ATOM 1516 CG TYR A 86 76.577 -6.729 6.595 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.813 -5.896 5.502 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.394 -6.606 7.320 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.857 -4.937 5.135 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.438 -5.650 6.959 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.672 -4.814 5.865 1.00 0.00 C ATOM 1522 OH TYR A 86 73.734 -3.871 5.502 1.00 0.00 O ATOM 0 H TYR A 86 78.629 -7.785 4.713 1.00 0.00 H new ATOM 0 HA TYR A 86 77.826 -9.865 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.424 -8.089 8.021 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.601 -7.336 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.730 -5.989 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.213 -7.253 8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 86 76.037 -4.293 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.522 -5.559 7.524 1.00 0.00 H new ATOM 0 HH TYR A 86 73.492 -3.333 6.284 1.00 0.00 H new ATOM 1532 N VAL A 87 75.345 -10.033 6.235 1.00 0.00 N ATOM 1533 CA VAL A 87 73.952 -10.284 5.879 1.00 0.00 C ATOM 1534 C VAL A 87 73.052 -10.170 7.106 1.00 0.00 C ATOM 1535 O VAL A 87 73.245 -10.864 8.103 1.00 0.00 O ATOM 1536 CB VAL A 87 73.813 -11.682 5.274 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.270 -11.659 3.813 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.685 -12.668 6.060 1.00 0.00 C ATOM 0 H VAL A 87 75.692 -10.594 7.013 1.00 0.00 H new ATOM 0 HA VAL A 87 73.645 -9.536 5.148 1.00 0.00 H new ATOM 0 HB VAL A 87 72.770 -11.993 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.170 -12.656 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.653 -10.959 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.313 -11.346 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.586 -13.664 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.727 -12.352 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.362 -12.689 7.101 1.00 0.00 H new ATOM 1548 N TYR A 88 72.064 -9.286 7.021 1.00 0.00 N ATOM 1549 CA TYR A 88 71.134 -9.088 8.128 1.00 0.00 C ATOM 1550 C TYR A 88 69.866 -9.904 7.911 1.00 0.00 C ATOM 1551 O TYR A 88 69.886 -10.775 7.057 1.00 0.00 O ATOM 1552 CB TYR A 88 70.779 -7.605 8.255 1.00 0.00 C ATOM 1553 CG TYR A 88 69.972 -7.177 7.053 1.00 0.00 C ATOM 1554 CD1 TYR A 88 70.623 -6.777 5.882 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.573 -7.183 7.110 1.00 0.00 C ATOM 1556 CE1 TYR A 88 69.876 -6.381 4.765 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.826 -6.787 5.995 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.477 -6.384 4.823 1.00 0.00 C ATOM 1559 OH TYR A 88 67.741 -5.993 3.723 1.00 0.00 O ATOM 1560 OXT TYR A 88 68.892 -9.645 8.599 1.00 0.00 O ATOM 0 H TYR A 88 71.887 -8.700 6.205 1.00 0.00 H new ATOM 0 HA TYR A 88 71.614 -9.423 9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 88 70.210 -7.433 9.169 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.688 -7.007 8.328 1.00 0.00 H new ATOM 0 HD1 TYR A 88 71.702 -6.773 5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 88 68.071 -7.493 8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 88 70.379 -6.074 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.747 -6.792 6.039 1.00 0.00 H new ATOM 0 HH TYR A 88 66.785 -6.055 3.930 1.00 0.00 H new TER 1570 TYR A 88