USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.197! (180deg=-0.298!) USER MOD Single : A 3 HIS : no HE2:sc= 0.012 X(o=0.012,f=-0.17) USER MOD Single : A 4 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.085) USER MOD Single : A 6 HIS : no HE2:sc= 0.322 K(o=0.32,f=-5.5!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.334 USER MOD Single : A 10 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.0071) USER MOD Single : A 11 MET CE :methyl -155:sc= -0.395 (180deg=-1.9) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0.125 K(o=0.12,f=-3.6!) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0.946 (180deg=0.929) USER MOD Single : A 18 ASN : amide:sc= -0.162 K(o=-0.16,f=-10!) USER MOD Single : A 21 MET CE :methyl -158:sc= -0.485 (180deg=-1.45) USER MOD Single : A 24 ASN : amide:sc= 1.01 K(o=1,f=-0.27) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0.302 (180deg=-0.48!) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0.413 (180deg=-0.624) USER MOD Single : A 32 TYR OH : rot 66:sc= -0.869 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -179:sc= -0.737 (180deg=-0.737) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.18) USER MOD Single : A 58 GLN : amide:sc= 0.539 K(o=0.54,f=-0.87) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.14 K(o=-1.1,f=-7.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0561) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0698) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc=-0.00403 (180deg=-0.0986) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.543 23.921 28.149 1.00 22.25 N ATOM 2 CA MET A 1 -11.632 25.002 28.614 1.00 1.14 C ATOM 3 C MET A 1 -10.223 24.826 28.030 1.00 10.24 C ATOM 4 O MET A 1 -9.893 23.769 27.494 1.00 20.44 O ATOM 5 CB MET A 1 -11.559 25.012 30.146 1.00 54.21 C ATOM 6 CG MET A 1 -12.901 25.234 30.827 1.00 13.00 C ATOM 7 SD MET A 1 -14.113 23.965 30.411 1.00 1.02 S ATOM 8 CE MET A 1 -15.523 24.523 31.371 1.00 71.32 C ATOM 0 H1 MET A 1 -13.303 23.784 28.845 1.00 22.25 H new ATOM 0 H2 MET A 1 -12.956 24.186 27.232 1.00 22.25 H new ATOM 0 H3 MET A 1 -12.007 23.036 28.044 1.00 22.25 H new ATOM 0 HA MET A 1 -12.034 25.953 28.265 1.00 1.14 H new ATOM 0 HB2 MET A 1 -11.143 24.064 30.486 1.00 54.21 H new ATOM 0 HB3 MET A 1 -10.869 25.794 30.462 1.00 54.21 H new ATOM 0 HG2 MET A 1 -12.757 25.252 31.907 1.00 13.00 H new ATOM 0 HG3 MET A 1 -13.291 26.211 30.541 1.00 13.00 H new ATOM 0 HE1 MET A 1 -16.359 23.840 31.220 1.00 71.32 H new ATOM 0 HE2 MET A 1 -15.258 24.545 32.428 1.00 71.32 H new ATOM 0 HE3 MET A 1 -15.810 25.524 31.048 1.00 71.32 H new ATOM 20 N GLY A 2 -9.401 25.868 28.132 1.00 0.11 N ATOM 21 CA GLY A 2 -8.023 25.790 27.657 1.00 43.53 C ATOM 22 C GLY A 2 -7.891 25.924 26.143 1.00 10.22 C ATOM 23 O GLY A 2 -8.813 26.385 25.467 1.00 45.01 O ATOM 0 H GLY A 2 -9.662 26.768 28.535 1.00 0.11 H new ATOM 0 HA2 GLY A 2 -7.438 26.575 28.135 1.00 43.53 H new ATOM 0 HA3 GLY A 2 -7.594 24.838 27.968 1.00 43.53 H new ATOM 27 N HIS A 3 -6.744 25.508 25.606 1.00 4.14 N ATOM 28 CA HIS A 3 -6.475 25.612 24.164 1.00 11.42 C ATOM 29 C HIS A 3 -5.769 24.354 23.619 1.00 61.24 C ATOM 30 O HIS A 3 -4.733 24.438 22.953 1.00 43.45 O ATOM 31 CB HIS A 3 -5.651 26.875 23.872 1.00 72.43 C ATOM 32 CG HIS A 3 -4.492 27.073 24.803 1.00 62.22 C ATOM 33 ND1 HIS A 3 -3.283 26.435 24.644 1.00 20.24 N ATOM 34 CD2 HIS A 3 -4.361 27.838 25.916 1.00 44.34 C ATOM 35 CE1 HIS A 3 -2.462 26.799 25.606 1.00 60.23 C ATOM 36 NE2 HIS A 3 -3.090 27.646 26.390 1.00 2.23 N ATOM 0 H HIS A 3 -5.983 25.095 26.145 1.00 4.14 H new ATOM 0 HA HIS A 3 -7.432 25.688 23.648 1.00 11.42 H new ATOM 0 HB2 HIS A 3 -5.278 26.825 22.849 1.00 72.43 H new ATOM 0 HB3 HIS A 3 -6.305 27.745 23.931 1.00 72.43 H new ATOM 0 HD1 HIS A 3 -3.058 25.780 23.895 1.00 20.24 H new ATOM 0 HD2 HIS A 3 -5.117 28.478 26.347 1.00 44.34 H new ATOM 0 HE1 HIS A 3 -1.444 26.459 25.730 1.00 60.23 H new ATOM 45 N HIS A 4 -6.361 23.188 23.884 1.00 25.32 N ATOM 46 CA HIS A 4 -5.800 21.906 23.435 1.00 72.11 C ATOM 47 C HIS A 4 -6.216 21.607 21.984 1.00 14.30 C ATOM 48 O HIS A 4 -7.095 20.779 21.733 1.00 64.24 O ATOM 49 CB HIS A 4 -6.263 20.767 24.359 1.00 40.10 C ATOM 50 CG HIS A 4 -5.878 20.950 25.798 1.00 34.02 C ATOM 51 ND1 HIS A 4 -4.892 20.212 26.417 1.00 11.12 N ATOM 52 CD2 HIS A 4 -6.368 21.782 26.749 1.00 60.32 C ATOM 53 CE1 HIS A 4 -4.793 20.579 27.678 1.00 43.14 C ATOM 54 NE2 HIS A 4 -5.674 21.529 27.907 1.00 4.40 N ATOM 0 H HIS A 4 -7.231 23.102 24.409 1.00 25.32 H new ATOM 0 HA HIS A 4 -4.713 21.977 23.477 1.00 72.11 H new ATOM 0 HB2 HIS A 4 -7.347 20.678 24.293 1.00 40.10 H new ATOM 0 HB3 HIS A 4 -5.843 19.828 23.998 1.00 40.10 H new ATOM 0 HD2 HIS A 4 -7.157 22.508 26.620 1.00 60.32 H new ATOM 0 HE1 HIS A 4 -4.105 20.169 28.402 1.00 43.14 H new ATOM 0 HE2 HIS A 4 -5.818 22.001 28.800 1.00 4.40 H new ATOM 63 N HIS A 5 -5.580 22.290 21.033 1.00 22.51 N ATOM 64 CA HIS A 5 -5.971 22.197 19.619 1.00 45.01 C ATOM 65 C HIS A 5 -5.026 21.294 18.802 1.00 35.30 C ATOM 66 O HIS A 5 -3.802 21.439 18.863 1.00 32.03 O ATOM 67 CB HIS A 5 -6.029 23.605 18.992 1.00 71.03 C ATOM 68 CG HIS A 5 -4.724 24.353 19.019 1.00 55.31 C ATOM 69 ND1 HIS A 5 -4.436 25.341 19.936 1.00 70.20 N ATOM 70 CD2 HIS A 5 -3.627 24.259 18.226 1.00 21.22 C ATOM 71 CE1 HIS A 5 -3.227 25.815 19.708 1.00 22.54 C ATOM 72 NE2 HIS A 5 -2.714 25.177 18.676 1.00 72.41 N ATOM 0 H HIS A 5 -4.793 22.914 21.211 1.00 22.51 H new ATOM 0 HA HIS A 5 -6.959 21.739 19.589 1.00 45.01 H new ATOM 0 HB2 HIS A 5 -6.361 23.515 17.958 1.00 71.03 H new ATOM 0 HB3 HIS A 5 -6.781 24.193 19.518 1.00 71.03 H new ATOM 0 HD2 HIS A 5 -3.497 23.584 17.393 1.00 21.22 H new ATOM 0 HE1 HIS A 5 -2.739 26.596 20.273 1.00 22.54 H new ATOM 0 HE2 HIS A 5 -1.789 25.339 18.277 1.00 72.41 H new ATOM 81 N HIS A 6 -5.607 20.355 18.046 1.00 50.42 N ATOM 82 CA HIS A 6 -4.859 19.542 17.070 1.00 2.21 C ATOM 83 C HIS A 6 -3.612 18.875 17.694 1.00 50.14 C ATOM 84 O HIS A 6 -2.553 18.815 17.068 1.00 21.44 O ATOM 85 CB HIS A 6 -4.452 20.439 15.883 1.00 61.24 C ATOM 86 CG HIS A 6 -4.136 19.704 14.613 1.00 31.15 C ATOM 87 ND1 HIS A 6 -3.411 18.535 14.570 1.00 24.43 N ATOM 88 CD2 HIS A 6 -4.455 19.987 13.329 1.00 64.01 C ATOM 89 CE1 HIS A 6 -3.294 18.138 13.323 1.00 55.14 C ATOM 90 NE2 HIS A 6 -3.918 18.998 12.545 1.00 61.02 N ATOM 0 H HIS A 6 -6.602 20.135 18.090 1.00 50.42 H new ATOM 0 HA HIS A 6 -5.507 18.735 16.729 1.00 2.21 H new ATOM 0 HB2 HIS A 6 -5.260 21.144 15.686 1.00 61.24 H new ATOM 0 HB3 HIS A 6 -3.580 21.026 16.172 1.00 61.24 H new ATOM 0 HD1 HIS A 6 -3.024 18.052 15.381 1.00 24.43 H new ATOM 0 HD2 HIS A 6 -5.027 20.836 12.985 1.00 64.01 H new ATOM 0 HE1 HIS A 6 -2.772 17.253 12.991 1.00 55.14 H new ATOM 99 N HIS A 7 -3.747 18.355 18.914 1.00 14.13 N ATOM 100 CA HIS A 7 -2.609 17.747 19.620 1.00 44.22 C ATOM 101 C HIS A 7 -2.175 16.429 18.946 1.00 50.33 C ATOM 102 O HIS A 7 -1.007 16.042 19.008 1.00 22.52 O ATOM 103 CB HIS A 7 -2.959 17.518 21.096 1.00 4.52 C ATOM 104 CG HIS A 7 -1.758 17.293 21.971 1.00 55.33 C ATOM 105 ND1 HIS A 7 -1.564 16.154 22.719 1.00 71.04 N ATOM 106 CD2 HIS A 7 -0.691 18.089 22.227 1.00 20.02 C ATOM 107 CE1 HIS A 7 -0.439 16.257 23.397 1.00 62.21 C ATOM 108 NE2 HIS A 7 0.110 17.418 23.118 1.00 34.34 N ATOM 0 H HIS A 7 -4.624 18.340 19.434 1.00 14.13 H new ATOM 0 HA HIS A 7 -1.767 18.437 19.567 1.00 44.22 H new ATOM 0 HB2 HIS A 7 -3.512 18.380 21.468 1.00 4.52 H new ATOM 0 HB3 HIS A 7 -3.622 16.656 21.174 1.00 4.52 H new ATOM 0 HD2 HIS A 7 -0.506 19.067 21.809 1.00 20.02 H new ATOM 0 HE1 HIS A 7 -0.036 15.513 24.068 1.00 62.21 H new ATOM 0 HE2 HIS A 7 0.989 17.765 23.501 1.00 34.34 H new ATOM 117 N HIS A 8 -3.128 15.742 18.315 1.00 52.11 N ATOM 118 CA HIS A 8 -2.831 14.571 17.475 1.00 4.32 C ATOM 119 C HIS A 8 -2.874 14.951 15.985 1.00 31.43 C ATOM 120 O HIS A 8 -3.244 16.073 15.632 1.00 41.31 O ATOM 121 CB HIS A 8 -3.830 13.435 17.749 1.00 52.11 C ATOM 122 CG HIS A 8 -3.681 12.796 19.097 1.00 40.42 C ATOM 123 ND1 HIS A 8 -4.531 13.049 20.151 1.00 40.42 N ATOM 124 CD2 HIS A 8 -2.787 11.883 19.555 1.00 45.12 C ATOM 125 CE1 HIS A 8 -4.171 12.326 21.193 1.00 51.42 C ATOM 126 NE2 HIS A 8 -3.119 11.611 20.858 1.00 32.24 N ATOM 0 H HIS A 8 -4.120 15.975 18.368 1.00 52.11 H new ATOM 0 HA HIS A 8 -1.828 14.225 17.725 1.00 4.32 H new ATOM 0 HB2 HIS A 8 -4.843 13.827 17.655 1.00 52.11 H new ATOM 0 HB3 HIS A 8 -3.712 12.670 16.982 1.00 52.11 H new ATOM 0 HD2 HIS A 8 -1.968 11.452 18.998 1.00 45.12 H new ATOM 0 HE1 HIS A 8 -4.657 12.322 22.157 1.00 51.42 H new ATOM 0 HE2 HIS A 8 -2.628 10.958 21.469 1.00 32.24 H new ATOM 135 N SER A 9 -2.494 14.018 15.115 1.00 63.51 N ATOM 136 CA SER A 9 -2.508 14.260 13.664 1.00 24.23 C ATOM 137 C SER A 9 -2.939 13.010 12.883 1.00 1.22 C ATOM 138 O SER A 9 -3.168 11.944 13.461 1.00 42.51 O ATOM 139 CB SER A 9 -1.122 14.715 13.186 1.00 54.35 C ATOM 140 OG SER A 9 -1.104 14.928 11.781 1.00 2.34 O ATOM 0 H SER A 9 -2.172 13.088 15.383 1.00 63.51 H new ATOM 0 HA SER A 9 -3.237 15.047 13.472 1.00 24.23 H new ATOM 0 HB2 SER A 9 -0.842 15.635 13.699 1.00 54.35 H new ATOM 0 HB3 SER A 9 -0.379 13.963 13.451 1.00 54.35 H new ATOM 0 HG SER A 9 -0.210 15.219 11.506 1.00 2.34 H new ATOM 146 N HIS A 10 -3.056 13.156 11.564 1.00 23.45 N ATOM 147 CA HIS A 10 -3.442 12.053 10.676 1.00 33.34 C ATOM 148 C HIS A 10 -3.129 12.395 9.205 1.00 34.03 C ATOM 149 O HIS A 10 -3.710 13.316 8.631 1.00 15.10 O ATOM 150 CB HIS A 10 -4.931 11.704 10.856 1.00 23.14 C ATOM 151 CG HIS A 10 -5.863 12.880 10.798 1.00 13.14 C ATOM 152 ND1 HIS A 10 -6.357 13.505 11.924 1.00 72.34 N ATOM 153 CD2 HIS A 10 -6.410 13.536 9.744 1.00 31.54 C ATOM 154 CE1 HIS A 10 -7.167 14.481 11.568 1.00 52.54 C ATOM 155 NE2 HIS A 10 -7.213 14.522 10.254 1.00 0.23 N ATOM 0 H HIS A 10 -2.887 14.037 11.079 1.00 23.45 H new ATOM 0 HA HIS A 10 -2.854 11.177 10.948 1.00 33.34 H new ATOM 0 HB2 HIS A 10 -5.219 10.991 10.083 1.00 23.14 H new ATOM 0 HB3 HIS A 10 -5.059 11.203 11.816 1.00 23.14 H new ATOM 0 HD2 HIS A 10 -6.244 13.321 8.699 1.00 31.54 H new ATOM 0 HE1 HIS A 10 -7.702 15.136 12.240 1.00 52.54 H new ATOM 0 HE2 HIS A 10 -7.760 15.183 9.702 1.00 0.23 H new ATOM 164 N MET A 11 -2.199 11.649 8.608 1.00 74.24 N ATOM 165 CA MET A 11 -1.737 11.917 7.239 1.00 13.34 C ATOM 166 C MET A 11 -2.739 11.399 6.191 1.00 42.22 C ATOM 167 O MET A 11 -3.032 10.205 6.125 1.00 74.30 O ATOM 168 CB MET A 11 -0.348 11.279 7.027 1.00 52.21 C ATOM 169 CG MET A 11 0.300 11.594 5.680 1.00 64.31 C ATOM 170 SD MET A 11 -0.484 10.735 4.296 1.00 1.51 S ATOM 171 CE MET A 11 -0.217 9.019 4.756 1.00 70.21 C ATOM 0 H MET A 11 -1.747 10.849 9.051 1.00 74.24 H new ATOM 0 HA MET A 11 -1.662 12.996 7.108 1.00 13.34 H new ATOM 0 HB2 MET A 11 0.317 11.616 7.822 1.00 52.21 H new ATOM 0 HB3 MET A 11 -0.441 10.198 7.126 1.00 52.21 H new ATOM 0 HG2 MET A 11 0.255 12.669 5.505 1.00 64.31 H new ATOM 0 HG3 MET A 11 1.355 11.321 5.718 1.00 64.31 H new ATOM 0 HE1 MET A 11 -0.224 8.397 3.861 1.00 70.21 H new ATOM 0 HE2 MET A 11 0.746 8.922 5.257 1.00 70.21 H new ATOM 0 HE3 MET A 11 -1.011 8.695 5.429 1.00 70.21 H new ATOM 181 N LEU A 12 -3.264 12.314 5.376 1.00 70.02 N ATOM 182 CA LEU A 12 -4.221 11.971 4.314 1.00 71.03 C ATOM 183 C LEU A 12 -3.757 12.525 2.957 1.00 50.40 C ATOM 184 O LEU A 12 -3.179 13.612 2.887 1.00 10.35 O ATOM 185 CB LEU A 12 -5.611 12.527 4.660 1.00 63.11 C ATOM 186 CG LEU A 12 -6.201 12.045 5.999 1.00 14.22 C ATOM 187 CD1 LEU A 12 -7.527 12.739 6.289 1.00 73.03 C ATOM 188 CD2 LEU A 12 -6.371 10.525 6.009 1.00 34.34 C ATOM 0 H LEU A 12 -3.042 13.308 5.429 1.00 70.02 H new ATOM 0 HA LEU A 12 -4.276 10.885 4.240 1.00 71.03 H new ATOM 0 HB2 LEU A 12 -5.554 13.615 4.678 1.00 63.11 H new ATOM 0 HB3 LEU A 12 -6.301 12.257 3.860 1.00 63.11 H new ATOM 0 HG LEU A 12 -5.498 12.310 6.789 1.00 14.22 H new ATOM 0 HD11 LEU A 12 -7.924 12.382 7.239 1.00 73.03 H new ATOM 0 HD12 LEU A 12 -7.370 13.816 6.343 1.00 73.03 H new ATOM 0 HD13 LEU A 12 -8.237 12.515 5.492 1.00 73.03 H new ATOM 0 HD21 LEU A 12 -6.789 10.212 6.966 1.00 34.34 H new ATOM 0 HD22 LEU A 12 -7.044 10.229 5.204 1.00 34.34 H new ATOM 0 HD23 LEU A 12 -5.401 10.049 5.864 1.00 34.34 H new ATOM 200 N THR A 13 -4.021 11.783 1.883 1.00 50.54 N ATOM 201 CA THR A 13 -3.611 12.203 0.531 1.00 54.24 C ATOM 202 C THR A 13 -4.479 13.359 -0.003 1.00 24.11 C ATOM 203 O THR A 13 -5.468 13.147 -0.706 1.00 32.33 O ATOM 204 CB THR A 13 -3.624 11.017 -0.477 1.00 15.11 C ATOM 205 OG1 THR A 13 -3.330 11.484 -1.801 1.00 35.04 O ATOM 206 CG2 THR A 13 -4.965 10.284 -0.473 1.00 21.32 C ATOM 0 H THR A 13 -4.514 10.891 1.915 1.00 50.54 H new ATOM 0 HA THR A 13 -2.586 12.561 0.624 1.00 54.24 H new ATOM 0 HB THR A 13 -2.855 10.313 -0.161 1.00 15.11 H new ATOM 0 HG1 THR A 13 -3.340 10.728 -2.424 1.00 35.04 H new ATOM 0 HG21 THR A 13 -4.933 9.463 -1.190 1.00 21.32 H new ATOM 0 HG22 THR A 13 -5.160 9.888 0.524 1.00 21.32 H new ATOM 0 HG23 THR A 13 -5.759 10.977 -0.750 1.00 21.32 H new ATOM 214 N LYS A 14 -4.110 14.585 0.382 1.00 64.44 N ATOM 215 CA LYS A 14 -4.797 15.817 -0.061 1.00 71.25 C ATOM 216 C LYS A 14 -6.263 15.871 0.404 1.00 12.44 C ATOM 217 O LYS A 14 -6.614 16.653 1.291 1.00 53.23 O ATOM 218 CB LYS A 14 -4.706 15.977 -1.588 1.00 74.24 C ATOM 219 CG LYS A 14 -3.277 16.076 -2.142 1.00 33.33 C ATOM 220 CD LYS A 14 -2.514 17.299 -1.614 1.00 23.30 C ATOM 221 CE LYS A 14 -1.778 17.017 -0.302 1.00 25.13 C ATOM 222 NZ LYS A 14 -1.077 18.222 0.218 1.00 71.14 N ATOM 0 H LYS A 14 -3.326 14.758 1.011 1.00 64.44 H new ATOM 0 HA LYS A 14 -4.280 16.653 0.410 1.00 71.25 H new ATOM 0 HB2 LYS A 14 -5.205 15.130 -2.058 1.00 74.24 H new ATOM 0 HB3 LYS A 14 -5.256 16.872 -1.879 1.00 74.24 H new ATOM 0 HG2 LYS A 14 -2.728 15.171 -1.881 1.00 33.33 H new ATOM 0 HG3 LYS A 14 -3.317 16.121 -3.230 1.00 33.33 H new ATOM 0 HD2 LYS A 14 -1.795 17.626 -2.366 1.00 23.30 H new ATOM 0 HD3 LYS A 14 -3.214 18.121 -1.463 1.00 23.30 H new ATOM 0 HE2 LYS A 14 -2.490 16.663 0.443 1.00 25.13 H new ATOM 0 HE3 LYS A 14 -1.055 16.217 -0.458 1.00 25.13 H new ATOM 0 HZ1 LYS A 14 -0.592 17.985 1.107 1.00 71.14 H new ATOM 0 HZ2 LYS A 14 -0.379 18.546 -0.481 1.00 71.14 H new ATOM 0 HZ3 LYS A 14 -1.769 18.978 0.392 1.00 71.14 H new ATOM 236 N HIS A 15 -7.123 15.059 -0.208 1.00 41.31 N ATOM 237 CA HIS A 15 -8.526 14.981 0.207 1.00 73.42 C ATOM 238 C HIS A 15 -8.710 13.913 1.300 1.00 75.45 C ATOM 239 O HIS A 15 -8.011 12.896 1.314 1.00 13.04 O ATOM 240 CB HIS A 15 -9.441 14.701 -0.995 1.00 53.54 C ATOM 241 CG HIS A 15 -9.190 13.390 -1.680 1.00 35.02 C ATOM 242 ND1 HIS A 15 -10.073 12.334 -1.626 1.00 73.22 N ATOM 243 CD2 HIS A 15 -8.163 12.975 -2.457 1.00 12.02 C ATOM 244 CE1 HIS A 15 -9.602 11.329 -2.337 1.00 33.10 C ATOM 245 NE2 HIS A 15 -8.446 11.690 -2.852 1.00 44.33 N ATOM 0 H HIS A 15 -6.877 14.449 -0.988 1.00 41.31 H new ATOM 0 HA HIS A 15 -8.811 15.947 0.624 1.00 73.42 H new ATOM 0 HB2 HIS A 15 -10.478 14.728 -0.660 1.00 53.54 H new ATOM 0 HB3 HIS A 15 -9.320 15.504 -1.722 1.00 53.54 H new ATOM 0 HD2 HIS A 15 -7.285 13.547 -2.718 1.00 12.02 H new ATOM 0 HE1 HIS A 15 -10.083 10.372 -2.474 1.00 33.10 H new ATOM 0 HE2 HIS A 15 -7.856 11.110 -3.448 1.00 44.33 H new ATOM 254 N GLY A 16 -9.654 14.142 2.206 1.00 53.43 N ATOM 255 CA GLY A 16 -9.805 13.283 3.379 1.00 42.52 C ATOM 256 C GLY A 16 -10.487 11.943 3.105 1.00 71.50 C ATOM 257 O GLY A 16 -11.575 11.682 3.612 1.00 73.41 O ATOM 0 H GLY A 16 -10.323 14.910 2.153 1.00 53.43 H new ATOM 0 HA2 GLY A 16 -8.819 13.093 3.803 1.00 42.52 H new ATOM 0 HA3 GLY A 16 -10.379 13.820 4.134 1.00 42.52 H new ATOM 261 N LYS A 17 -9.846 11.083 2.315 1.00 52.51 N ATOM 262 CA LYS A 17 -10.350 9.720 2.088 1.00 10.43 C ATOM 263 C LYS A 17 -9.324 8.645 2.472 1.00 33.40 C ATOM 264 O LYS A 17 -9.588 7.462 2.290 1.00 32.24 O ATOM 265 CB LYS A 17 -10.762 9.522 0.618 1.00 54.10 C ATOM 266 CG LYS A 17 -12.221 9.862 0.321 1.00 21.35 C ATOM 267 CD LYS A 17 -13.194 9.007 1.141 1.00 75.03 C ATOM 268 CE LYS A 17 -13.008 7.507 0.901 1.00 2.54 C ATOM 269 NZ LYS A 17 -13.348 7.106 -0.487 1.00 13.42 N ATOM 0 H LYS A 17 -8.980 11.300 1.821 1.00 52.51 H new ATOM 0 HA LYS A 17 -11.221 9.606 2.733 1.00 10.43 H new ATOM 0 HB2 LYS A 17 -10.122 10.139 -0.012 1.00 54.10 H new ATOM 0 HB3 LYS A 17 -10.579 8.484 0.339 1.00 54.10 H new ATOM 0 HG2 LYS A 17 -12.397 10.916 0.535 1.00 21.35 H new ATOM 0 HG3 LYS A 17 -12.417 9.715 -0.741 1.00 21.35 H new ATOM 0 HD2 LYS A 17 -13.055 9.221 2.201 1.00 75.03 H new ATOM 0 HD3 LYS A 17 -14.217 9.287 0.890 1.00 75.03 H new ATOM 0 HE2 LYS A 17 -11.974 7.234 1.111 1.00 2.54 H new ATOM 0 HE3 LYS A 17 -13.633 6.951 1.600 1.00 2.54 H new ATOM 0 HZ1 LYS A 17 -13.173 6.088 -0.607 1.00 13.42 H new ATOM 0 HZ2 LYS A 17 -14.351 7.309 -0.671 1.00 13.42 H new ATOM 0 HZ3 LYS A 17 -12.758 7.640 -1.157 1.00 13.42 H new ATOM 283 N ASN A 18 -8.166 9.057 3.005 1.00 25.30 N ATOM 284 CA ASN A 18 -7.092 8.109 3.363 1.00 21.14 C ATOM 285 C ASN A 18 -6.537 7.396 2.105 1.00 45.12 C ATOM 286 O ASN A 18 -7.296 6.820 1.326 1.00 4.22 O ATOM 287 CB ASN A 18 -7.615 7.085 4.398 1.00 4.14 C ATOM 288 CG ASN A 18 -6.563 6.105 4.899 1.00 22.41 C ATOM 289 OD1 ASN A 18 -5.647 5.718 4.183 1.00 11.35 O ATOM 290 ND2 ASN A 18 -6.691 5.688 6.145 1.00 44.32 N ATOM 0 H ASN A 18 -7.946 10.034 3.199 1.00 25.30 H new ATOM 0 HA ASN A 18 -6.270 8.667 3.811 1.00 21.14 H new ATOM 0 HB2 ASN A 18 -8.026 7.626 5.251 1.00 4.14 H new ATOM 0 HB3 ASN A 18 -8.435 6.522 3.952 1.00 4.14 H new ATOM 0 HD21 ASN A 18 -6.018 5.028 6.533 1.00 44.32 H new ATOM 0 HD22 ASN A 18 -7.463 6.026 6.719 1.00 44.32 H new ATOM 297 N PRO A 19 -5.200 7.418 1.890 1.00 74.33 N ATOM 298 CA PRO A 19 -4.568 6.801 0.706 1.00 31.34 C ATOM 299 C PRO A 19 -5.068 5.375 0.424 1.00 43.32 C ATOM 300 O PRO A 19 -5.213 4.977 -0.732 1.00 23.22 O ATOM 301 CB PRO A 19 -3.066 6.793 1.053 1.00 21.23 C ATOM 302 CG PRO A 19 -2.980 7.180 2.494 1.00 13.45 C ATOM 303 CD PRO A 19 -4.191 8.024 2.771 1.00 53.02 C ATOM 0 HA PRO A 19 -4.806 7.356 -0.202 1.00 31.34 H new ATOM 0 HB2 PRO A 19 -2.631 5.808 0.886 1.00 21.23 H new ATOM 0 HB3 PRO A 19 -2.516 7.495 0.426 1.00 21.23 H new ATOM 0 HG2 PRO A 19 -2.965 6.298 3.134 1.00 13.45 H new ATOM 0 HG3 PRO A 19 -2.064 7.735 2.695 1.00 13.45 H new ATOM 0 HD2 PRO A 19 -4.487 7.980 3.819 1.00 53.02 H new ATOM 0 HD3 PRO A 19 -4.019 9.073 2.532 1.00 53.02 H new ATOM 311 N VAL A 20 -5.334 4.615 1.489 1.00 32.23 N ATOM 312 CA VAL A 20 -5.847 3.245 1.357 1.00 65.35 C ATOM 313 C VAL A 20 -7.193 3.216 0.610 1.00 42.12 C ATOM 314 O VAL A 20 -7.335 2.550 -0.420 1.00 42.41 O ATOM 315 CB VAL A 20 -6.017 2.571 2.746 1.00 70.12 C ATOM 316 CG1 VAL A 20 -6.574 1.153 2.607 1.00 45.01 C ATOM 317 CG2 VAL A 20 -4.687 2.561 3.504 1.00 44.12 C ATOM 0 H VAL A 20 -5.203 4.923 2.453 1.00 32.23 H new ATOM 0 HA VAL A 20 -5.111 2.688 0.778 1.00 65.35 H new ATOM 0 HB VAL A 20 -6.736 3.156 3.320 1.00 70.12 H new ATOM 0 HG11 VAL A 20 -6.682 0.706 3.595 1.00 45.01 H new ATOM 0 HG12 VAL A 20 -7.547 1.191 2.117 1.00 45.01 H new ATOM 0 HG13 VAL A 20 -5.890 0.550 2.009 1.00 45.01 H new ATOM 0 HG21 VAL A 20 -4.825 2.085 4.475 1.00 44.12 H new ATOM 0 HG22 VAL A 20 -3.945 2.006 2.930 1.00 44.12 H new ATOM 0 HG23 VAL A 20 -4.342 3.585 3.648 1.00 44.12 H new ATOM 327 N MET A 21 -8.175 3.956 1.126 1.00 14.01 N ATOM 328 CA MET A 21 -9.514 3.987 0.523 1.00 52.53 C ATOM 329 C MET A 21 -9.505 4.706 -0.841 1.00 22.53 C ATOM 330 O MET A 21 -10.292 4.376 -1.728 1.00 33.31 O ATOM 331 CB MET A 21 -10.526 4.636 1.476 1.00 33.11 C ATOM 332 CG MET A 21 -10.723 3.859 2.775 1.00 74.12 C ATOM 333 SD MET A 21 -12.099 4.476 3.775 1.00 42.15 S ATOM 334 CE MET A 21 -11.497 6.090 4.263 1.00 60.15 C ATOM 0 H MET A 21 -8.073 4.540 1.956 1.00 14.01 H new ATOM 0 HA MET A 21 -9.820 2.956 0.348 1.00 52.53 H new ATOM 0 HB2 MET A 21 -10.194 5.647 1.713 1.00 33.11 H new ATOM 0 HB3 MET A 21 -11.486 4.727 0.967 1.00 33.11 H new ATOM 0 HG2 MET A 21 -10.896 2.809 2.540 1.00 74.12 H new ATOM 0 HG3 MET A 21 -9.806 3.907 3.362 1.00 74.12 H new ATOM 0 HE1 MET A 21 -12.021 6.418 5.161 1.00 60.15 H new ATOM 0 HE2 MET A 21 -10.428 6.033 4.468 1.00 60.15 H new ATOM 0 HE3 MET A 21 -11.675 6.803 3.458 1.00 60.15 H new ATOM 344 N GLU A 22 -8.610 5.683 -1.000 1.00 11.13 N ATOM 345 CA GLU A 22 -8.376 6.319 -2.304 1.00 41.23 C ATOM 346 C GLU A 22 -7.968 5.270 -3.350 1.00 44.34 C ATOM 347 O GLU A 22 -8.544 5.189 -4.437 1.00 2.03 O ATOM 348 CB GLU A 22 -7.271 7.388 -2.193 1.00 21.15 C ATOM 349 CG GLU A 22 -6.692 7.840 -3.539 1.00 72.43 C ATOM 350 CD GLU A 22 -7.620 8.735 -4.353 1.00 4.33 C ATOM 351 OE1 GLU A 22 -8.718 8.286 -4.736 1.00 2.55 O ATOM 352 OE2 GLU A 22 -7.239 9.889 -4.638 1.00 11.31 O ATOM 0 H GLU A 22 -8.034 6.053 -0.244 1.00 11.13 H new ATOM 0 HA GLU A 22 -9.305 6.795 -2.618 1.00 41.23 H new ATOM 0 HB2 GLU A 22 -7.674 8.258 -1.674 1.00 21.15 H new ATOM 0 HB3 GLU A 22 -6.462 6.995 -1.577 1.00 21.15 H new ATOM 0 HG2 GLU A 22 -5.758 8.373 -3.359 1.00 72.43 H new ATOM 0 HG3 GLU A 22 -6.447 6.958 -4.130 1.00 72.43 H new ATOM 359 N LEU A 23 -6.974 4.458 -3.004 1.00 43.13 N ATOM 360 CA LEU A 23 -6.481 3.411 -3.897 1.00 75.13 C ATOM 361 C LEU A 23 -7.594 2.404 -4.241 1.00 74.20 C ATOM 362 O LEU A 23 -7.635 1.867 -5.348 1.00 32.12 O ATOM 363 CB LEU A 23 -5.287 2.700 -3.248 1.00 53.31 C ATOM 364 CG LEU A 23 -4.543 1.703 -4.149 1.00 25.43 C ATOM 365 CD1 LEU A 23 -3.933 2.419 -5.353 1.00 23.35 C ATOM 366 CD2 LEU A 23 -3.467 0.968 -3.356 1.00 4.21 C ATOM 0 H LEU A 23 -6.491 4.504 -2.107 1.00 43.13 H new ATOM 0 HA LEU A 23 -6.157 3.873 -4.830 1.00 75.13 H new ATOM 0 HB2 LEU A 23 -4.578 3.455 -2.907 1.00 53.31 H new ATOM 0 HB3 LEU A 23 -5.639 2.171 -2.363 1.00 53.31 H new ATOM 0 HG LEU A 23 -5.259 0.969 -4.517 1.00 25.43 H new ATOM 0 HD11 LEU A 23 -3.410 1.696 -5.980 1.00 23.35 H new ATOM 0 HD12 LEU A 23 -4.724 2.896 -5.932 1.00 23.35 H new ATOM 0 HD13 LEU A 23 -3.229 3.176 -5.008 1.00 23.35 H new ATOM 0 HD21 LEU A 23 -2.950 0.266 -4.009 1.00 4.21 H new ATOM 0 HD22 LEU A 23 -2.752 1.688 -2.959 1.00 4.21 H new ATOM 0 HD23 LEU A 23 -3.930 0.424 -2.532 1.00 4.21 H new ATOM 378 N ASN A 24 -8.499 2.165 -3.287 1.00 11.13 N ATOM 379 CA ASN A 24 -9.677 1.310 -3.525 1.00 4.43 C ATOM 380 C ASN A 24 -10.665 1.953 -4.520 1.00 53.22 C ATOM 381 O ASN A 24 -11.450 1.254 -5.165 1.00 55.41 O ATOM 382 CB ASN A 24 -10.391 0.978 -2.202 1.00 4.41 C ATOM 383 CG ASN A 24 -9.680 -0.105 -1.408 1.00 11.20 C ATOM 384 OD1 ASN A 24 -9.939 -1.291 -1.585 1.00 70.30 O ATOM 385 ND2 ASN A 24 -8.790 0.288 -0.523 1.00 64.05 N ATOM 0 H ASN A 24 -8.443 2.548 -2.343 1.00 11.13 H new ATOM 0 HA ASN A 24 -9.315 0.384 -3.971 1.00 4.43 H new ATOM 0 HB2 ASN A 24 -10.461 1.881 -1.595 1.00 4.41 H new ATOM 0 HB3 ASN A 24 -11.411 0.657 -2.415 1.00 4.41 H new ATOM 0 HD21 ASN A 24 -8.292 -0.401 0.040 1.00 64.05 H new ATOM 0 HD22 ASN A 24 -8.598 1.282 -0.400 1.00 64.05 H new ATOM 392 N GLU A 25 -10.639 3.281 -4.637 1.00 31.12 N ATOM 393 CA GLU A 25 -11.440 3.981 -5.654 1.00 52.55 C ATOM 394 C GLU A 25 -10.697 4.027 -7.002 1.00 72.32 C ATOM 395 O GLU A 25 -11.307 3.920 -8.066 1.00 75.14 O ATOM 396 CB GLU A 25 -11.778 5.414 -5.203 1.00 4.21 C ATOM 397 CG GLU A 25 -12.700 5.488 -3.989 1.00 74.40 C ATOM 398 CD GLU A 25 -13.174 6.906 -3.697 1.00 52.44 C ATOM 399 OE1 GLU A 25 -12.494 7.630 -2.942 1.00 1.40 O ATOM 400 OE2 GLU A 25 -14.237 7.305 -4.225 1.00 2.32 O ATOM 0 H GLU A 25 -10.077 3.894 -4.047 1.00 31.12 H new ATOM 0 HA GLU A 25 -12.368 3.423 -5.779 1.00 52.55 H new ATOM 0 HB2 GLU A 25 -10.851 5.939 -4.973 1.00 4.21 H new ATOM 0 HB3 GLU A 25 -12.246 5.943 -6.033 1.00 4.21 H new ATOM 0 HG2 GLU A 25 -13.566 4.847 -4.156 1.00 74.40 H new ATOM 0 HG3 GLU A 25 -12.177 5.097 -3.116 1.00 74.40 H new ATOM 407 N LYS A 26 -9.376 4.186 -6.939 1.00 11.33 N ATOM 408 CA LYS A 26 -8.533 4.267 -8.142 1.00 21.53 C ATOM 409 C LYS A 26 -8.409 2.909 -8.865 1.00 52.44 C ATOM 410 O LYS A 26 -8.464 2.841 -10.097 1.00 22.32 O ATOM 411 CB LYS A 26 -7.141 4.801 -7.761 1.00 5.30 C ATOM 412 CG LYS A 26 -7.125 6.285 -7.389 1.00 11.12 C ATOM 413 CD LYS A 26 -7.466 7.174 -8.586 1.00 54.42 C ATOM 414 CE LYS A 26 -7.396 8.660 -8.241 1.00 35.22 C ATOM 415 NZ LYS A 26 -8.464 9.064 -7.292 1.00 52.22 N ATOM 0 H LYS A 26 -8.859 4.262 -6.063 1.00 11.33 H new ATOM 0 HA LYS A 26 -9.014 4.953 -8.839 1.00 21.53 H new ATOM 0 HB2 LYS A 26 -6.758 4.222 -6.920 1.00 5.30 H new ATOM 0 HB3 LYS A 26 -6.460 4.639 -8.596 1.00 5.30 H new ATOM 0 HG2 LYS A 26 -7.840 6.466 -6.586 1.00 11.12 H new ATOM 0 HG3 LYS A 26 -6.140 6.553 -7.006 1.00 11.12 H new ATOM 0 HD2 LYS A 26 -6.777 6.960 -9.403 1.00 54.42 H new ATOM 0 HD3 LYS A 26 -8.468 6.932 -8.942 1.00 54.42 H new ATOM 0 HE2 LYS A 26 -6.422 8.885 -7.807 1.00 35.22 H new ATOM 0 HE3 LYS A 26 -7.482 9.248 -9.155 1.00 35.22 H new ATOM 0 HZ1 LYS A 26 -8.204 9.963 -6.839 1.00 52.22 H new ATOM 0 HZ2 LYS A 26 -9.360 9.182 -7.807 1.00 52.22 H new ATOM 0 HZ3 LYS A 26 -8.577 8.330 -6.564 1.00 52.22 H new ATOM 429 N ARG A 27 -8.237 1.832 -8.097 1.00 45.11 N ATOM 430 CA ARG A 27 -8.118 0.473 -8.656 1.00 71.32 C ATOM 431 C ARG A 27 -9.030 -0.520 -7.922 1.00 0.44 C ATOM 432 O ARG A 27 -9.692 -0.171 -6.945 1.00 20.25 O ATOM 433 CB ARG A 27 -6.656 -0.014 -8.596 1.00 73.34 C ATOM 434 CG ARG A 27 -5.748 0.595 -9.664 1.00 2.23 C ATOM 435 CD ARG A 27 -6.215 0.221 -11.069 1.00 3.24 C ATOM 436 NE ARG A 27 -5.320 0.719 -12.112 1.00 13.50 N ATOM 437 CZ ARG A 27 -5.717 1.366 -13.174 1.00 43.40 C ATOM 438 NH1 ARG A 27 -6.969 1.641 -13.357 1.00 54.34 N ATOM 439 NH2 ARG A 27 -4.857 1.722 -14.065 1.00 41.44 N ATOM 0 H ARG A 27 -8.176 1.869 -7.080 1.00 45.11 H new ATOM 0 HA ARG A 27 -8.436 0.520 -9.698 1.00 71.32 H new ATOM 0 HB2 ARG A 27 -6.248 0.218 -7.612 1.00 73.34 H new ATOM 0 HB3 ARG A 27 -6.642 -1.099 -8.699 1.00 73.34 H new ATOM 0 HG2 ARG A 27 -5.737 1.680 -9.559 1.00 2.23 H new ATOM 0 HG3 ARG A 27 -4.725 0.250 -9.515 1.00 2.23 H new ATOM 0 HD2 ARG A 27 -6.288 -0.864 -11.146 1.00 3.24 H new ATOM 0 HD3 ARG A 27 -7.216 0.621 -11.233 1.00 3.24 H new ATOM 0 HE ARG A 27 -4.320 0.550 -12.003 1.00 13.50 H new ATOM 0 HH11 ARG A 27 -7.661 1.351 -12.666 1.00 54.34 H new ATOM 0 HH12 ARG A 27 -7.263 2.147 -14.192 1.00 54.34 H new ATOM 0 HH21 ARG A 27 -3.870 1.498 -13.939 1.00 41.44 H new ATOM 0 HH22 ARG A 27 -5.163 2.228 -14.896 1.00 41.44 H new ATOM 453 N ARG A 28 -9.072 -1.762 -8.410 1.00 4.34 N ATOM 454 CA ARG A 28 -9.863 -2.822 -7.775 1.00 54.51 C ATOM 455 C ARG A 28 -9.077 -4.144 -7.732 1.00 53.22 C ATOM 456 O ARG A 28 -8.115 -4.328 -8.482 1.00 5.24 O ATOM 457 CB ARG A 28 -11.209 -3.016 -8.500 1.00 11.21 C ATOM 458 CG ARG A 28 -11.117 -3.575 -9.924 1.00 75.02 C ATOM 459 CD ARG A 28 -10.603 -2.548 -10.933 1.00 63.15 C ATOM 460 NE ARG A 28 -10.569 -3.095 -12.287 1.00 34.32 N ATOM 461 CZ ARG A 28 -10.044 -2.492 -13.324 1.00 54.43 C ATOM 462 NH1 ARG A 28 -9.506 -1.318 -13.216 1.00 52.24 N ATOM 463 NH2 ARG A 28 -10.060 -3.077 -14.474 1.00 33.35 N ATOM 0 H ARG A 28 -8.567 -2.060 -9.245 1.00 4.34 H new ATOM 0 HA ARG A 28 -10.070 -2.514 -6.750 1.00 54.51 H new ATOM 0 HB2 ARG A 28 -11.829 -3.686 -7.905 1.00 11.21 H new ATOM 0 HB3 ARG A 28 -11.723 -2.056 -8.538 1.00 11.21 H new ATOM 0 HG2 ARG A 28 -10.456 -4.442 -9.927 1.00 75.02 H new ATOM 0 HG3 ARG A 28 -12.101 -3.923 -10.237 1.00 75.02 H new ATOM 0 HD2 ARG A 28 -11.242 -1.665 -10.912 1.00 63.15 H new ATOM 0 HD3 ARG A 28 -9.603 -2.224 -10.646 1.00 63.15 H new ATOM 0 HE ARG A 28 -10.985 -4.014 -12.436 1.00 34.32 H new ATOM 0 HH11 ARG A 28 -9.486 -0.847 -12.311 1.00 52.24 H new ATOM 0 HH12 ARG A 28 -9.102 -0.865 -14.036 1.00 52.24 H new ATOM 0 HH21 ARG A 28 -10.479 -4.002 -14.570 1.00 33.35 H new ATOM 0 HH22 ARG A 28 -9.653 -2.615 -15.287 1.00 33.35 H new ATOM 477 N GLY A 29 -9.491 -5.061 -6.857 1.00 12.11 N ATOM 478 CA GLY A 29 -8.771 -6.324 -6.693 1.00 51.24 C ATOM 479 C GLY A 29 -7.427 -6.138 -5.989 1.00 13.50 C ATOM 480 O GLY A 29 -6.398 -6.632 -6.450 1.00 15.30 O ATOM 0 H GLY A 29 -10.310 -4.956 -6.258 1.00 12.11 H new ATOM 0 HA2 GLY A 29 -9.386 -7.018 -6.120 1.00 51.24 H new ATOM 0 HA3 GLY A 29 -8.607 -6.776 -7.671 1.00 51.24 H new ATOM 484 N LEU A 30 -7.444 -5.416 -4.867 1.00 13.51 N ATOM 485 CA LEU A 30 -6.218 -5.097 -4.124 1.00 1.22 C ATOM 486 C LEU A 30 -5.906 -6.163 -3.060 1.00 42.00 C ATOM 487 O LEU A 30 -6.749 -7.004 -2.744 1.00 61.23 O ATOM 488 CB LEU A 30 -6.365 -3.727 -3.443 1.00 20.44 C ATOM 489 CG LEU A 30 -6.758 -2.563 -4.370 1.00 34.12 C ATOM 490 CD1 LEU A 30 -6.867 -1.261 -3.583 1.00 52.30 C ATOM 491 CD2 LEU A 30 -5.762 -2.418 -5.516 1.00 25.43 C ATOM 0 H LEU A 30 -8.295 -5.039 -4.450 1.00 13.51 H new ATOM 0 HA LEU A 30 -5.394 -5.076 -4.837 1.00 1.22 H new ATOM 0 HB2 LEU A 30 -7.115 -3.811 -2.656 1.00 20.44 H new ATOM 0 HB3 LEU A 30 -5.421 -3.479 -2.958 1.00 20.44 H new ATOM 0 HG LEU A 30 -7.735 -2.788 -4.798 1.00 34.12 H new ATOM 0 HD11 LEU A 30 -7.146 -0.451 -4.257 1.00 52.30 H new ATOM 0 HD12 LEU A 30 -7.627 -1.366 -2.809 1.00 52.30 H new ATOM 0 HD13 LEU A 30 -5.906 -1.034 -3.120 1.00 52.30 H new ATOM 0 HD21 LEU A 30 -6.062 -1.589 -6.156 1.00 25.43 H new ATOM 0 HD22 LEU A 30 -4.768 -2.223 -5.112 1.00 25.43 H new ATOM 0 HD23 LEU A 30 -5.742 -3.338 -6.100 1.00 25.43 H new ATOM 503 N LYS A 31 -4.694 -6.123 -2.509 1.00 63.10 N ATOM 504 CA LYS A 31 -4.318 -7.022 -1.410 1.00 35.30 C ATOM 505 C LYS A 31 -3.256 -6.381 -0.506 1.00 33.45 C ATOM 506 O LYS A 31 -2.087 -6.296 -0.875 1.00 70.44 O ATOM 507 CB LYS A 31 -3.802 -8.365 -1.957 1.00 14.33 C ATOM 508 CG LYS A 31 -3.518 -9.408 -0.870 1.00 75.03 C ATOM 509 CD LYS A 31 -3.248 -10.802 -1.454 1.00 12.21 C ATOM 510 CE LYS A 31 -1.781 -11.022 -1.818 1.00 14.33 C ATOM 511 NZ LYS A 31 -1.269 -10.020 -2.789 1.00 72.41 N ATOM 0 H LYS A 31 -3.956 -5.482 -2.801 1.00 63.10 H new ATOM 0 HA LYS A 31 -5.212 -7.204 -0.813 1.00 35.30 H new ATOM 0 HB2 LYS A 31 -4.537 -8.770 -2.653 1.00 14.33 H new ATOM 0 HB3 LYS A 31 -2.889 -8.188 -2.525 1.00 14.33 H new ATOM 0 HG2 LYS A 31 -2.657 -9.091 -0.281 1.00 75.03 H new ATOM 0 HG3 LYS A 31 -4.368 -9.460 -0.189 1.00 75.03 H new ATOM 0 HD2 LYS A 31 -3.555 -11.558 -0.732 1.00 12.21 H new ATOM 0 HD3 LYS A 31 -3.862 -10.943 -2.343 1.00 12.21 H new ATOM 0 HE2 LYS A 31 -1.177 -10.983 -0.911 1.00 14.33 H new ATOM 0 HE3 LYS A 31 -1.662 -12.021 -2.238 1.00 14.33 H new ATOM 0 HZ1 LYS A 31 -0.397 -10.377 -3.229 1.00 72.41 H new ATOM 0 HZ2 LYS A 31 -1.985 -9.853 -3.525 1.00 72.41 H new ATOM 0 HZ3 LYS A 31 -1.067 -9.128 -2.294 1.00 72.41 H new ATOM 525 N TYR A 32 -3.677 -5.909 0.668 1.00 53.12 N ATOM 526 CA TYR A 32 -2.753 -5.333 1.654 1.00 61.13 C ATOM 527 C TYR A 32 -2.232 -6.419 2.616 1.00 41.21 C ATOM 528 O TYR A 32 -2.936 -6.831 3.545 1.00 15.53 O ATOM 529 CB TYR A 32 -3.450 -4.221 2.457 1.00 10.34 C ATOM 530 CG TYR A 32 -3.862 -2.996 1.643 1.00 22.10 C ATOM 531 CD1 TYR A 32 -5.062 -2.969 0.934 1.00 20.22 C ATOM 532 CD2 TYR A 32 -3.052 -1.862 1.598 1.00 3.43 C ATOM 533 CE1 TYR A 32 -5.439 -1.851 0.205 1.00 53.34 C ATOM 534 CE2 TYR A 32 -3.425 -0.744 0.873 1.00 54.32 C ATOM 535 CZ TYR A 32 -4.617 -0.744 0.180 1.00 65.31 C ATOM 536 OH TYR A 32 -4.985 0.369 -0.544 1.00 15.14 O ATOM 0 H TYR A 32 -4.654 -5.913 0.963 1.00 53.12 H new ATOM 0 HA TYR A 32 -1.907 -4.908 1.114 1.00 61.13 H new ATOM 0 HB2 TYR A 32 -4.338 -4.639 2.931 1.00 10.34 H new ATOM 0 HB3 TYR A 32 -2.783 -3.899 3.257 1.00 10.34 H new ATOM 0 HD1 TYR A 32 -5.709 -3.833 0.953 1.00 20.22 H new ATOM 0 HD2 TYR A 32 -2.117 -1.856 2.139 1.00 3.43 H new ATOM 0 HE1 TYR A 32 -6.371 -1.847 -0.340 1.00 53.34 H new ATOM 0 HE2 TYR A 32 -2.785 0.125 0.850 1.00 54.32 H new ATOM 0 HH TYR A 32 -5.786 0.769 -0.145 1.00 15.14 H new ATOM 546 N GLU A 33 -1.005 -6.881 2.386 1.00 31.25 N ATOM 547 CA GLU A 33 -0.383 -7.926 3.216 1.00 60.21 C ATOM 548 C GLU A 33 0.810 -7.378 4.025 1.00 52.25 C ATOM 549 O GLU A 33 1.291 -6.272 3.775 1.00 24.20 O ATOM 550 CB GLU A 33 0.082 -9.086 2.326 1.00 22.02 C ATOM 551 CG GLU A 33 1.160 -8.695 1.321 1.00 53.12 C ATOM 552 CD GLU A 33 1.509 -9.824 0.366 1.00 2.04 C ATOM 553 OE1 GLU A 33 2.406 -10.632 0.689 1.00 24.11 O ATOM 554 OE2 GLU A 33 0.882 -9.914 -0.709 1.00 42.34 O ATOM 0 H GLU A 33 -0.412 -6.548 1.626 1.00 31.25 H new ATOM 0 HA GLU A 33 -1.132 -8.280 3.925 1.00 60.21 H new ATOM 0 HB2 GLU A 33 0.462 -9.888 2.959 1.00 22.02 H new ATOM 0 HB3 GLU A 33 -0.777 -9.485 1.787 1.00 22.02 H new ATOM 0 HG2 GLU A 33 0.821 -7.832 0.748 1.00 53.12 H new ATOM 0 HG3 GLU A 33 2.058 -8.388 1.858 1.00 53.12 H new ATOM 561 N LEU A 34 1.290 -8.168 4.986 1.00 32.13 N ATOM 562 CA LEU A 34 2.401 -7.753 5.859 1.00 0.45 C ATOM 563 C LEU A 34 3.723 -8.422 5.444 1.00 62.01 C ATOM 564 O LEU A 34 3.819 -9.648 5.379 1.00 60.00 O ATOM 565 CB LEU A 34 2.084 -8.089 7.327 1.00 34.44 C ATOM 566 CG LEU A 34 3.178 -7.715 8.349 1.00 31.24 C ATOM 567 CD1 LEU A 34 3.443 -6.209 8.351 1.00 43.15 C ATOM 568 CD2 LEU A 34 2.798 -8.194 9.748 1.00 35.04 C ATOM 0 H LEU A 34 0.930 -9.101 5.184 1.00 32.13 H new ATOM 0 HA LEU A 34 2.518 -6.674 5.754 1.00 0.45 H new ATOM 0 HB2 LEU A 34 1.162 -7.579 7.606 1.00 34.44 H new ATOM 0 HB3 LEU A 34 1.892 -9.159 7.403 1.00 34.44 H new ATOM 0 HG LEU A 34 4.098 -8.218 8.050 1.00 31.24 H new ATOM 0 HD11 LEU A 34 4.218 -5.977 9.081 1.00 43.15 H new ATOM 0 HD12 LEU A 34 3.772 -5.896 7.360 1.00 43.15 H new ATOM 0 HD13 LEU A 34 2.527 -5.679 8.613 1.00 43.15 H new ATOM 0 HD21 LEU A 34 3.583 -7.920 10.452 1.00 35.04 H new ATOM 0 HD22 LEU A 34 1.860 -7.727 10.050 1.00 35.04 H new ATOM 0 HD23 LEU A 34 2.679 -9.277 9.742 1.00 35.04 H new ATOM 580 N ILE A 35 4.740 -7.607 5.177 1.00 55.52 N ATOM 581 CA ILE A 35 6.058 -8.104 4.767 1.00 41.10 C ATOM 582 C ILE A 35 7.015 -8.243 5.963 1.00 34.01 C ATOM 583 O ILE A 35 7.593 -9.307 6.182 1.00 62.32 O ATOM 584 CB ILE A 35 6.700 -7.170 3.708 1.00 61.11 C ATOM 585 CG1 ILE A 35 5.773 -7.021 2.490 1.00 25.20 C ATOM 586 CG2 ILE A 35 8.074 -7.690 3.282 1.00 1.40 C ATOM 587 CD1 ILE A 35 5.442 -8.333 1.800 1.00 54.52 C ATOM 0 H ILE A 35 4.679 -6.591 5.237 1.00 55.52 H new ATOM 0 HA ILE A 35 5.898 -9.091 4.333 1.00 41.10 H new ATOM 0 HB ILE A 35 6.838 -6.187 4.159 1.00 61.11 H new ATOM 0 HG12 ILE A 35 4.845 -6.546 2.809 1.00 25.20 H new ATOM 0 HG13 ILE A 35 6.242 -6.352 1.769 1.00 25.20 H new ATOM 0 HG21 ILE A 35 8.503 -7.018 2.539 1.00 1.40 H new ATOM 0 HG22 ILE A 35 8.731 -7.737 4.151 1.00 1.40 H new ATOM 0 HG23 ILE A 35 7.969 -8.686 2.852 1.00 1.40 H new ATOM 0 HD11 ILE A 35 4.784 -8.142 0.952 1.00 54.52 H new ATOM 0 HD12 ILE A 35 6.361 -8.801 1.448 1.00 54.52 H new ATOM 0 HD13 ILE A 35 4.942 -8.998 2.504 1.00 54.52 H new ATOM 599 N SER A 36 7.178 -7.172 6.740 1.00 52.41 N ATOM 600 CA SER A 36 8.124 -7.178 7.873 1.00 44.33 C ATOM 601 C SER A 36 7.519 -6.544 9.129 1.00 34.11 C ATOM 602 O SER A 36 6.696 -5.630 9.045 1.00 63.30 O ATOM 603 CB SER A 36 9.417 -6.441 7.501 1.00 4.22 C ATOM 604 OG SER A 36 10.344 -6.453 8.577 1.00 61.52 O ATOM 0 H SER A 36 6.676 -6.293 6.613 1.00 52.41 H new ATOM 0 HA SER A 36 8.348 -8.222 8.094 1.00 44.33 H new ATOM 0 HB2 SER A 36 9.866 -6.909 6.625 1.00 4.22 H new ATOM 0 HB3 SER A 36 9.186 -5.411 7.228 1.00 4.22 H new ATOM 0 HG SER A 36 11.159 -5.978 8.312 1.00 61.52 H new ATOM 610 N GLU A 37 7.953 -7.030 10.292 1.00 25.13 N ATOM 611 CA GLU A 37 7.453 -6.552 11.587 1.00 32.21 C ATOM 612 C GLU A 37 8.615 -6.311 12.570 1.00 34.24 C ATOM 613 O GLU A 37 9.143 -7.255 13.161 1.00 71.20 O ATOM 614 CB GLU A 37 6.470 -7.578 12.172 1.00 31.53 C ATOM 615 CG GLU A 37 5.904 -7.200 13.541 1.00 21.14 C ATOM 616 CD GLU A 37 5.009 -8.285 14.128 1.00 4.33 C ATOM 617 OE1 GLU A 37 5.543 -9.237 14.736 1.00 54.24 O ATOM 618 OE2 GLU A 37 3.770 -8.198 13.976 1.00 12.11 O ATOM 0 H GLU A 37 8.658 -7.763 10.366 1.00 25.13 H new ATOM 0 HA GLU A 37 6.938 -5.604 11.432 1.00 32.21 H new ATOM 0 HB2 GLU A 37 5.643 -7.710 11.474 1.00 31.53 H new ATOM 0 HB3 GLU A 37 6.974 -8.541 12.254 1.00 31.53 H new ATOM 0 HG2 GLU A 37 6.727 -7.003 14.228 1.00 21.14 H new ATOM 0 HG3 GLU A 37 5.335 -6.275 13.451 1.00 21.14 H new ATOM 625 N THR A 38 9.018 -5.053 12.727 1.00 44.31 N ATOM 626 CA THR A 38 10.153 -4.696 13.597 1.00 11.22 C ATOM 627 C THR A 38 9.745 -3.636 14.634 1.00 41.35 C ATOM 628 O THR A 38 8.836 -2.843 14.392 1.00 42.03 O ATOM 629 CB THR A 38 11.343 -4.164 12.754 1.00 44.13 C ATOM 630 OG1 THR A 38 11.775 -5.173 11.825 1.00 64.52 O ATOM 631 CG2 THR A 38 12.525 -3.747 13.627 1.00 50.43 C ATOM 0 H THR A 38 8.579 -4.256 12.265 1.00 44.31 H new ATOM 0 HA THR A 38 10.461 -5.600 14.123 1.00 11.22 H new ATOM 0 HB THR A 38 10.991 -3.282 12.218 1.00 44.13 H new ATOM 0 HG1 THR A 38 12.525 -4.830 11.295 1.00 64.52 H new ATOM 0 HG21 THR A 38 13.334 -3.382 12.994 1.00 50.43 H new ATOM 0 HG22 THR A 38 12.212 -2.956 14.309 1.00 50.43 H new ATOM 0 HG23 THR A 38 12.874 -4.605 14.202 1.00 50.43 H new ATOM 639 N GLY A 39 10.403 -3.633 15.796 1.00 35.15 N ATOM 640 CA GLY A 39 10.106 -2.635 16.825 1.00 20.22 C ATOM 641 C GLY A 39 10.594 -3.025 18.219 1.00 45.35 C ATOM 642 O GLY A 39 11.065 -4.144 18.436 1.00 72.53 O ATOM 0 H GLY A 39 11.134 -4.300 16.045 1.00 35.15 H new ATOM 0 HA2 GLY A 39 10.564 -1.687 16.542 1.00 20.22 H new ATOM 0 HA3 GLY A 39 9.029 -2.471 16.860 1.00 20.22 H new ATOM 646 N GLY A 40 10.485 -2.093 19.166 1.00 1.21 N ATOM 647 CA GLY A 40 10.938 -2.341 20.533 1.00 23.22 C ATOM 648 C GLY A 40 12.459 -2.352 20.657 1.00 32.51 C ATOM 649 O GLY A 40 13.061 -1.397 21.156 1.00 24.43 O ATOM 0 H GLY A 40 10.089 -1.165 19.012 1.00 1.21 H new ATOM 0 HA2 GLY A 40 10.530 -1.574 21.191 1.00 23.22 H new ATOM 0 HA3 GLY A 40 10.543 -3.298 20.874 1.00 23.22 H new ATOM 653 N SER A 41 13.079 -3.438 20.194 1.00 65.40 N ATOM 654 CA SER A 41 14.545 -3.557 20.168 1.00 71.55 C ATOM 655 C SER A 41 15.167 -2.406 19.367 1.00 32.42 C ATOM 656 O SER A 41 16.254 -1.922 19.684 1.00 64.52 O ATOM 657 CB SER A 41 14.962 -4.895 19.540 1.00 51.41 C ATOM 658 OG SER A 41 14.290 -5.985 20.151 1.00 22.23 O ATOM 0 H SER A 41 12.589 -4.255 19.829 1.00 65.40 H new ATOM 0 HA SER A 41 14.905 -3.512 21.196 1.00 71.55 H new ATOM 0 HB2 SER A 41 14.742 -4.882 18.473 1.00 51.41 H new ATOM 0 HB3 SER A 41 16.039 -5.026 19.642 1.00 51.41 H new ATOM 0 HG SER A 41 14.574 -6.823 19.729 1.00 22.23 H new ATOM 664 N HIS A 42 14.456 -1.989 18.323 1.00 12.44 N ATOM 665 CA HIS A 42 14.840 -0.838 17.506 1.00 64.14 C ATOM 666 C HIS A 42 13.573 -0.031 17.148 1.00 71.03 C ATOM 667 O HIS A 42 12.546 -0.175 17.813 1.00 11.11 O ATOM 668 CB HIS A 42 15.574 -1.326 16.246 1.00 41.23 C ATOM 669 CG HIS A 42 16.474 -0.302 15.621 1.00 63.45 C ATOM 670 ND1 HIS A 42 16.831 -0.325 14.290 1.00 23.24 N ATOM 671 CD2 HIS A 42 17.108 0.773 16.153 1.00 43.24 C ATOM 672 CE1 HIS A 42 17.639 0.682 14.032 1.00 1.21 C ATOM 673 NE2 HIS A 42 17.822 1.361 15.142 1.00 14.11 N ATOM 0 H HIS A 42 13.594 -2.440 18.017 1.00 12.44 H new ATOM 0 HA HIS A 42 15.518 -0.187 18.058 1.00 64.14 H new ATOM 0 HB2 HIS A 42 16.166 -2.205 16.502 1.00 41.23 H new ATOM 0 HB3 HIS A 42 14.836 -1.642 15.509 1.00 41.23 H new ATOM 0 HD2 HIS A 42 17.059 1.103 17.180 1.00 43.24 H new ATOM 0 HE1 HIS A 42 18.077 0.911 13.072 1.00 1.21 H new ATOM 0 HE2 HIS A 42 18.403 2.194 15.236 1.00 14.11 H new ATOM 682 N ASP A 43 13.629 0.808 16.115 1.00 41.12 N ATOM 683 CA ASP A 43 12.470 1.625 15.727 1.00 73.42 C ATOM 684 C ASP A 43 11.284 0.757 15.253 1.00 1.25 C ATOM 685 O ASP A 43 11.474 -0.263 14.589 1.00 62.22 O ATOM 686 CB ASP A 43 12.869 2.624 14.634 1.00 21.24 C ATOM 687 CG ASP A 43 13.495 1.951 13.423 1.00 63.24 C ATOM 688 OD1 ASP A 43 14.694 1.604 13.487 1.00 73.12 O ATOM 689 OD2 ASP A 43 12.804 1.771 12.400 1.00 75.24 O ATOM 0 H ASP A 43 14.456 0.943 15.533 1.00 41.12 H new ATOM 0 HA ASP A 43 12.142 2.171 16.612 1.00 73.42 H new ATOM 0 HB2 ASP A 43 11.988 3.182 14.319 1.00 21.24 H new ATOM 0 HB3 ASP A 43 13.573 3.346 15.047 1.00 21.24 H new ATOM 694 N LYS A 44 10.066 1.156 15.629 1.00 34.43 N ATOM 695 CA LYS A 44 8.848 0.497 15.141 1.00 72.50 C ATOM 696 C LYS A 44 8.756 0.592 13.613 1.00 75.44 C ATOM 697 O LYS A 44 8.388 1.631 13.058 1.00 2.12 O ATOM 698 CB LYS A 44 7.597 1.110 15.795 1.00 3.34 C ATOM 699 CG LYS A 44 7.342 0.647 17.231 1.00 41.11 C ATOM 700 CD LYS A 44 6.891 -0.813 17.285 1.00 41.44 C ATOM 701 CE LYS A 44 6.620 -1.284 18.711 1.00 53.21 C ATOM 702 NZ LYS A 44 6.017 -2.646 18.736 1.00 25.22 N ATOM 0 H LYS A 44 9.895 1.931 16.269 1.00 34.43 H new ATOM 0 HA LYS A 44 8.898 -0.556 15.418 1.00 72.50 H new ATOM 0 HB2 LYS A 44 7.694 2.196 15.788 1.00 3.34 H new ATOM 0 HB3 LYS A 44 6.727 0.864 15.187 1.00 3.34 H new ATOM 0 HG2 LYS A 44 8.252 0.768 17.819 1.00 41.11 H new ATOM 0 HG3 LYS A 44 6.581 1.280 17.687 1.00 41.11 H new ATOM 0 HD2 LYS A 44 5.988 -0.934 16.687 1.00 41.44 H new ATOM 0 HD3 LYS A 44 7.658 -1.444 16.836 1.00 41.44 H new ATOM 0 HE2 LYS A 44 7.552 -1.288 19.276 1.00 53.21 H new ATOM 0 HE3 LYS A 44 5.950 -0.580 19.206 1.00 53.21 H new ATOM 0 HZ1 LYS A 44 5.847 -2.932 19.721 1.00 25.22 H new ATOM 0 HZ2 LYS A 44 5.115 -2.636 18.218 1.00 25.22 H new ATOM 0 HZ3 LYS A 44 6.667 -3.322 18.286 1.00 25.22 H new ATOM 716 N ARG A 45 9.106 -0.496 12.949 1.00 71.32 N ATOM 717 CA ARG A 45 9.181 -0.532 11.493 1.00 34.14 C ATOM 718 C ARG A 45 8.302 -1.657 10.925 1.00 61.50 C ATOM 719 O ARG A 45 8.713 -2.821 10.870 1.00 15.25 O ATOM 720 CB ARG A 45 10.642 -0.728 11.076 1.00 31.40 C ATOM 721 CG ARG A 45 10.919 -0.473 9.601 1.00 1.31 C ATOM 722 CD ARG A 45 12.375 -0.773 9.259 1.00 55.21 C ATOM 723 NE ARG A 45 13.296 -0.170 10.225 1.00 22.43 N ATOM 724 CZ ARG A 45 14.577 -0.413 10.274 1.00 54.24 C ATOM 725 NH1 ARG A 45 15.133 -1.205 9.415 1.00 22.14 N ATOM 726 NH2 ARG A 45 15.303 0.139 11.191 1.00 34.32 N ATOM 0 H ARG A 45 9.346 -1.379 13.400 1.00 71.32 H new ATOM 0 HA ARG A 45 8.809 0.410 11.091 1.00 34.14 H new ATOM 0 HB2 ARG A 45 11.268 -0.063 11.670 1.00 31.40 H new ATOM 0 HB3 ARG A 45 10.942 -1.748 11.318 1.00 31.40 H new ATOM 0 HG2 ARG A 45 10.263 -1.094 8.991 1.00 1.31 H new ATOM 0 HG3 ARG A 45 10.691 0.565 9.359 1.00 1.31 H new ATOM 0 HD2 ARG A 45 12.528 -1.852 9.236 1.00 55.21 H new ATOM 0 HD3 ARG A 45 12.599 -0.398 8.260 1.00 55.21 H new ATOM 0 HE ARG A 45 12.910 0.484 10.906 1.00 22.43 H new ATOM 0 HH11 ARG A 45 14.569 -1.647 8.689 1.00 22.14 H new ATOM 0 HH12 ARG A 45 16.135 -1.387 9.464 1.00 22.14 H new ATOM 0 HH21 ARG A 45 14.874 0.763 11.874 1.00 34.32 H new ATOM 0 HH22 ARG A 45 16.305 -0.050 11.231 1.00 34.32 H new ATOM 740 N PHE A 46 7.080 -1.309 10.543 1.00 73.31 N ATOM 741 CA PHE A 46 6.159 -2.260 9.916 1.00 44.30 C ATOM 742 C PHE A 46 6.099 -2.029 8.404 1.00 10.32 C ATOM 743 O PHE A 46 5.788 -0.932 7.950 1.00 11.03 O ATOM 744 CB PHE A 46 4.758 -2.127 10.528 1.00 52.13 C ATOM 745 CG PHE A 46 4.685 -2.570 11.969 1.00 63.45 C ATOM 746 CD1 PHE A 46 5.199 -1.777 12.985 1.00 14.44 C ATOM 747 CD2 PHE A 46 4.103 -3.784 12.307 1.00 34.14 C ATOM 748 CE1 PHE A 46 5.134 -2.186 14.304 1.00 34.55 C ATOM 749 CE2 PHE A 46 4.035 -4.195 13.624 1.00 23.14 C ATOM 750 CZ PHE A 46 4.549 -3.394 14.624 1.00 34.30 C ATOM 0 H PHE A 46 6.698 -0.370 10.656 1.00 73.31 H new ATOM 0 HA PHE A 46 6.527 -3.269 10.099 1.00 44.30 H new ATOM 0 HB2 PHE A 46 4.438 -1.087 10.459 1.00 52.13 H new ATOM 0 HB3 PHE A 46 4.056 -2.717 9.939 1.00 52.13 H new ATOM 0 HD1 PHE A 46 5.655 -0.829 12.742 1.00 14.44 H new ATOM 0 HD2 PHE A 46 3.698 -4.415 11.530 1.00 34.14 H new ATOM 0 HE1 PHE A 46 5.541 -1.560 15.084 1.00 34.55 H new ATOM 0 HE2 PHE A 46 3.580 -5.143 13.871 1.00 23.14 H new ATOM 0 HZ PHE A 46 4.493 -3.712 15.655 1.00 34.30 H new ATOM 760 N VAL A 47 6.413 -3.062 7.631 1.00 53.23 N ATOM 761 CA VAL A 47 6.418 -2.961 6.171 1.00 24.32 C ATOM 762 C VAL A 47 5.254 -3.750 5.558 1.00 2.43 C ATOM 763 O VAL A 47 5.198 -4.974 5.671 1.00 44.12 O ATOM 764 CB VAL A 47 7.753 -3.481 5.578 1.00 63.55 C ATOM 765 CG1 VAL A 47 7.771 -3.324 4.059 1.00 61.25 C ATOM 766 CG2 VAL A 47 8.947 -2.774 6.223 1.00 61.33 C ATOM 0 H VAL A 47 6.668 -3.982 7.989 1.00 53.23 H new ATOM 0 HA VAL A 47 6.305 -1.906 5.923 1.00 24.32 H new ATOM 0 HB VAL A 47 7.834 -4.544 5.803 1.00 63.55 H new ATOM 0 HG11 VAL A 47 8.717 -3.696 3.666 1.00 61.25 H new ATOM 0 HG12 VAL A 47 6.949 -3.893 3.625 1.00 61.25 H new ATOM 0 HG13 VAL A 47 7.659 -2.271 3.801 1.00 61.25 H new ATOM 0 HG21 VAL A 47 9.872 -3.155 5.791 1.00 61.33 H new ATOM 0 HG22 VAL A 47 8.877 -1.702 6.041 1.00 61.33 H new ATOM 0 HG23 VAL A 47 8.944 -2.961 7.297 1.00 61.33 H new ATOM 776 N MET A 48 4.329 -3.044 4.916 1.00 65.41 N ATOM 777 CA MET A 48 3.173 -3.672 4.261 1.00 2.44 C ATOM 778 C MET A 48 3.312 -3.603 2.731 1.00 5.53 C ATOM 779 O MET A 48 3.899 -2.661 2.196 1.00 1.51 O ATOM 780 CB MET A 48 1.879 -2.970 4.693 1.00 25.24 C ATOM 781 CG MET A 48 1.629 -2.996 6.199 1.00 23.04 C ATOM 782 SD MET A 48 1.175 -4.630 6.819 1.00 24.34 S ATOM 783 CE MET A 48 -0.440 -4.845 6.071 1.00 71.24 C ATOM 0 H MET A 48 4.353 -2.028 4.832 1.00 65.41 H new ATOM 0 HA MET A 48 3.135 -4.719 4.562 1.00 2.44 H new ATOM 0 HB2 MET A 48 1.912 -1.933 4.359 1.00 25.24 H new ATOM 0 HB3 MET A 48 1.036 -3.441 4.187 1.00 25.24 H new ATOM 0 HG2 MET A 48 2.527 -2.656 6.715 1.00 23.04 H new ATOM 0 HG3 MET A 48 0.835 -2.290 6.441 1.00 23.04 H new ATOM 0 HE1 MET A 48 -0.858 -5.804 6.377 1.00 71.24 H new ATOM 0 HE2 MET A 48 -1.101 -4.041 6.395 1.00 71.24 H new ATOM 0 HE3 MET A 48 -0.344 -4.820 4.985 1.00 71.24 H new ATOM 793 N GLU A 49 2.779 -4.601 2.032 1.00 71.12 N ATOM 794 CA GLU A 49 2.777 -4.606 0.563 1.00 71.21 C ATOM 795 C GLU A 49 1.345 -4.630 0.025 1.00 25.41 C ATOM 796 O GLU A 49 0.500 -5.386 0.510 1.00 71.44 O ATOM 797 CB GLU A 49 3.555 -5.815 0.015 1.00 3.12 C ATOM 798 CG GLU A 49 3.680 -5.826 -1.508 1.00 52.13 C ATOM 799 CD GLU A 49 4.476 -7.013 -2.031 1.00 60.23 C ATOM 800 OE1 GLU A 49 5.719 -6.909 -2.134 1.00 13.52 O ATOM 801 OE2 GLU A 49 3.862 -8.054 -2.350 1.00 24.44 O ATOM 0 H GLU A 49 2.341 -5.420 2.455 1.00 71.12 H new ATOM 0 HA GLU A 49 3.268 -3.692 0.228 1.00 71.21 H new ATOM 0 HB2 GLU A 49 4.553 -5.822 0.453 1.00 3.12 H new ATOM 0 HB3 GLU A 49 3.059 -6.731 0.337 1.00 3.12 H new ATOM 0 HG2 GLU A 49 2.683 -5.842 -1.949 1.00 52.13 H new ATOM 0 HG3 GLU A 49 4.158 -4.903 -1.834 1.00 52.13 H new ATOM 808 N VAL A 50 1.066 -3.793 -0.964 1.00 72.41 N ATOM 809 CA VAL A 50 -0.251 -3.757 -1.590 1.00 24.13 C ATOM 810 C VAL A 50 -0.196 -4.221 -3.052 1.00 2.24 C ATOM 811 O VAL A 50 0.513 -3.648 -3.883 1.00 73.22 O ATOM 812 CB VAL A 50 -0.890 -2.347 -1.506 1.00 64.12 C ATOM 813 CG1 VAL A 50 -0.015 -1.290 -2.179 1.00 35.22 C ATOM 814 CG2 VAL A 50 -2.296 -2.361 -2.103 1.00 74.42 C ATOM 0 H VAL A 50 1.735 -3.128 -1.352 1.00 72.41 H new ATOM 0 HA VAL A 50 -0.878 -4.451 -1.031 1.00 24.13 H new ATOM 0 HB VAL A 50 -0.966 -2.077 -0.453 1.00 64.12 H new ATOM 0 HG11 VAL A 50 -0.496 -0.315 -2.100 1.00 35.22 H new ATOM 0 HG12 VAL A 50 0.957 -1.256 -1.688 1.00 35.22 H new ATOM 0 HG13 VAL A 50 0.119 -1.544 -3.231 1.00 35.22 H new ATOM 0 HG21 VAL A 50 -2.730 -1.363 -2.036 1.00 74.42 H new ATOM 0 HG22 VAL A 50 -2.244 -2.665 -3.149 1.00 74.42 H new ATOM 0 HG23 VAL A 50 -2.919 -3.065 -1.551 1.00 74.42 H new ATOM 824 N GLU A 51 -0.923 -5.290 -3.344 1.00 64.32 N ATOM 825 CA GLU A 51 -1.076 -5.773 -4.712 1.00 2.51 C ATOM 826 C GLU A 51 -2.120 -4.929 -5.460 1.00 22.11 C ATOM 827 O GLU A 51 -3.326 -5.083 -5.264 1.00 62.40 O ATOM 828 CB GLU A 51 -1.476 -7.254 -4.687 1.00 21.11 C ATOM 829 CG GLU A 51 -1.765 -7.864 -6.053 1.00 61.23 C ATOM 830 CD GLU A 51 -2.007 -9.364 -5.968 1.00 20.33 C ATOM 831 OE1 GLU A 51 -2.817 -9.795 -5.121 1.00 53.20 O ATOM 832 OE2 GLU A 51 -1.361 -10.123 -6.722 1.00 22.25 O ATOM 0 H GLU A 51 -1.420 -5.844 -2.647 1.00 64.32 H new ATOM 0 HA GLU A 51 -0.129 -5.677 -5.242 1.00 2.51 H new ATOM 0 HB2 GLU A 51 -0.676 -7.823 -4.213 1.00 21.11 H new ATOM 0 HB3 GLU A 51 -2.361 -7.366 -4.061 1.00 21.11 H new ATOM 0 HG2 GLU A 51 -2.639 -7.380 -6.489 1.00 61.23 H new ATOM 0 HG3 GLU A 51 -0.926 -7.669 -6.722 1.00 61.23 H new ATOM 839 N VAL A 52 -1.639 -4.018 -6.299 1.00 71.23 N ATOM 840 CA VAL A 52 -2.505 -3.089 -7.034 1.00 23.23 C ATOM 841 C VAL A 52 -2.569 -3.439 -8.523 1.00 72.23 C ATOM 842 O VAL A 52 -1.592 -3.243 -9.247 1.00 65.13 O ATOM 843 CB VAL A 52 -1.991 -1.632 -6.898 1.00 5.05 C ATOM 844 CG1 VAL A 52 -2.971 -0.641 -7.529 1.00 5.13 C ATOM 845 CG2 VAL A 52 -1.727 -1.290 -5.436 1.00 45.54 C ATOM 0 H VAL A 52 -0.644 -3.899 -6.492 1.00 71.23 H new ATOM 0 HA VAL A 52 -3.501 -3.177 -6.599 1.00 23.23 H new ATOM 0 HB VAL A 52 -1.048 -1.553 -7.440 1.00 5.05 H new ATOM 0 HG11 VAL A 52 -2.585 0.372 -7.419 1.00 5.13 H new ATOM 0 HG12 VAL A 52 -3.090 -0.871 -8.588 1.00 5.13 H new ATOM 0 HG13 VAL A 52 -3.937 -0.717 -7.030 1.00 5.13 H new ATOM 0 HG21 VAL A 52 -1.367 -0.264 -5.362 1.00 45.54 H new ATOM 0 HG22 VAL A 52 -2.650 -1.393 -4.866 1.00 45.54 H new ATOM 0 HG23 VAL A 52 -0.975 -1.968 -5.034 1.00 45.54 H new ATOM 855 N ASP A 53 -3.708 -3.967 -8.976 1.00 35.44 N ATOM 856 CA ASP A 53 -3.906 -4.261 -10.404 1.00 35.14 C ATOM 857 C ASP A 53 -2.900 -5.334 -10.896 1.00 2.25 C ATOM 858 O ASP A 53 -2.743 -5.573 -12.092 1.00 44.22 O ATOM 859 CB ASP A 53 -3.772 -2.944 -11.197 1.00 24.44 C ATOM 860 CG ASP A 53 -4.049 -3.088 -12.682 1.00 12.03 C ATOM 861 OD1 ASP A 53 -5.218 -3.317 -13.054 1.00 3.22 O ATOM 862 OD2 ASP A 53 -3.097 -2.952 -13.481 1.00 12.44 O ATOM 0 H ASP A 53 -4.504 -4.200 -8.383 1.00 35.44 H new ATOM 0 HA ASP A 53 -4.902 -4.675 -10.564 1.00 35.14 H new ATOM 0 HB2 ASP A 53 -4.459 -2.208 -10.779 1.00 24.44 H new ATOM 0 HB3 ASP A 53 -2.764 -2.551 -11.062 1.00 24.44 H new ATOM 867 N GLY A 54 -2.243 -6.002 -9.945 1.00 50.33 N ATOM 868 CA GLY A 54 -1.199 -6.972 -10.272 1.00 62.43 C ATOM 869 C GLY A 54 0.204 -6.452 -9.980 1.00 41.45 C ATOM 870 O GLY A 54 1.155 -7.224 -9.878 1.00 13.25 O ATOM 0 H GLY A 54 -2.416 -5.889 -8.946 1.00 50.33 H new ATOM 0 HA2 GLY A 54 -1.368 -7.886 -9.703 1.00 62.43 H new ATOM 0 HA3 GLY A 54 -1.272 -7.235 -11.327 1.00 62.43 H new ATOM 874 N GLN A 55 0.325 -5.136 -9.843 1.00 42.41 N ATOM 875 CA GLN A 55 1.601 -4.485 -9.524 1.00 74.24 C ATOM 876 C GLN A 55 1.756 -4.310 -8.005 1.00 15.22 C ATOM 877 O GLN A 55 0.891 -3.728 -7.351 1.00 32.14 O ATOM 878 CB GLN A 55 1.658 -3.122 -10.228 1.00 13.14 C ATOM 879 CG GLN A 55 1.549 -3.217 -11.748 1.00 12.31 C ATOM 880 CD GLN A 55 1.313 -1.872 -12.416 1.00 10.53 C ATOM 881 OE1 GLN A 55 2.249 -1.157 -12.759 1.00 41.13 O ATOM 882 NE2 GLN A 55 0.055 -1.523 -12.621 1.00 63.43 N ATOM 0 H GLN A 55 -0.455 -4.487 -9.949 1.00 42.41 H new ATOM 0 HA GLN A 55 2.422 -5.111 -9.874 1.00 74.24 H new ATOM 0 HB2 GLN A 55 0.850 -2.494 -9.852 1.00 13.14 H new ATOM 0 HB3 GLN A 55 2.594 -2.627 -9.969 1.00 13.14 H new ATOM 0 HG2 GLN A 55 2.464 -3.657 -12.145 1.00 12.31 H new ATOM 0 HG3 GLN A 55 0.733 -3.892 -12.006 1.00 12.31 H new ATOM 0 HE21 GLN A 55 -0.700 -2.140 -12.324 1.00 63.43 H new ATOM 0 HE22 GLN A 55 -0.160 -0.636 -13.077 1.00 63.43 H new ATOM 891 N LYS A 56 2.855 -4.811 -7.444 1.00 22.33 N ATOM 892 CA LYS A 56 3.049 -4.809 -5.985 1.00 3.41 C ATOM 893 C LYS A 56 3.924 -3.634 -5.513 1.00 73.21 C ATOM 894 O LYS A 56 5.040 -3.438 -5.997 1.00 23.34 O ATOM 895 CB LYS A 56 3.675 -6.134 -5.516 1.00 1.15 C ATOM 896 CG LYS A 56 2.793 -7.368 -5.723 1.00 10.51 C ATOM 897 CD LYS A 56 2.750 -7.827 -7.181 1.00 71.41 C ATOM 898 CE LYS A 56 1.898 -9.083 -7.353 1.00 43.33 C ATOM 899 NZ LYS A 56 1.896 -9.579 -8.758 1.00 14.25 N ATOM 0 H LYS A 56 3.625 -5.223 -7.970 1.00 22.33 H new ATOM 0 HA LYS A 56 2.061 -4.693 -5.540 1.00 3.41 H new ATOM 0 HB2 LYS A 56 4.615 -6.283 -6.047 1.00 1.15 H new ATOM 0 HB3 LYS A 56 3.917 -6.051 -4.456 1.00 1.15 H new ATOM 0 HG2 LYS A 56 3.164 -8.183 -5.101 1.00 10.51 H new ATOM 0 HG3 LYS A 56 1.780 -7.146 -5.387 1.00 10.51 H new ATOM 0 HD2 LYS A 56 2.348 -7.027 -7.803 1.00 71.41 H new ATOM 0 HD3 LYS A 56 3.763 -8.024 -7.531 1.00 71.41 H new ATOM 0 HE2 LYS A 56 2.273 -9.866 -6.694 1.00 43.33 H new ATOM 0 HE3 LYS A 56 0.875 -8.870 -7.044 1.00 43.33 H new ATOM 0 HZ1 LYS A 56 1.122 -10.263 -8.884 1.00 14.25 H new ATOM 0 HZ2 LYS A 56 1.760 -8.779 -9.408 1.00 14.25 H new ATOM 0 HZ3 LYS A 56 2.804 -10.042 -8.964 1.00 14.25 H new ATOM 913 N PHE A 57 3.411 -2.867 -4.549 1.00 35.22 N ATOM 914 CA PHE A 57 4.150 -1.740 -3.957 1.00 2.13 C ATOM 915 C PHE A 57 4.240 -1.882 -2.426 1.00 44.31 C ATOM 916 O PHE A 57 3.263 -2.243 -1.772 1.00 31.11 O ATOM 917 CB PHE A 57 3.466 -0.411 -4.313 1.00 1.51 C ATOM 918 CG PHE A 57 3.347 -0.163 -5.798 1.00 33.41 C ATOM 919 CD1 PHE A 57 4.359 0.482 -6.495 1.00 72.13 C ATOM 920 CD2 PHE A 57 2.219 -0.575 -6.495 1.00 41.24 C ATOM 921 CE1 PHE A 57 4.249 0.709 -7.854 1.00 20.13 C ATOM 922 CE2 PHE A 57 2.105 -0.350 -7.855 1.00 3.45 C ATOM 923 CZ PHE A 57 3.122 0.292 -8.534 1.00 74.33 C ATOM 0 H PHE A 57 2.480 -3.004 -4.156 1.00 35.22 H new ATOM 0 HA PHE A 57 5.160 -1.748 -4.366 1.00 2.13 H new ATOM 0 HB2 PHE A 57 2.470 -0.397 -3.871 1.00 1.51 H new ATOM 0 HB3 PHE A 57 4.027 0.407 -3.862 1.00 1.51 H new ATOM 0 HD1 PHE A 57 5.243 0.811 -5.969 1.00 72.13 H new ATOM 0 HD2 PHE A 57 1.421 -1.077 -5.969 1.00 41.24 H new ATOM 0 HE1 PHE A 57 5.044 1.212 -8.384 1.00 20.13 H new ATOM 0 HE2 PHE A 57 1.222 -0.676 -8.385 1.00 3.45 H new ATOM 0 HZ PHE A 57 3.036 0.468 -9.596 1.00 74.33 H new ATOM 933 N GLN A 58 5.411 -1.588 -1.855 1.00 61.31 N ATOM 934 CA GLN A 58 5.613 -1.705 -0.398 1.00 63.55 C ATOM 935 C GLN A 58 5.745 -0.338 0.293 1.00 52.40 C ATOM 936 O GLN A 58 6.125 0.657 -0.324 1.00 40.13 O ATOM 937 CB GLN A 58 6.856 -2.556 -0.089 1.00 51.44 C ATOM 938 CG GLN A 58 6.659 -4.046 -0.338 1.00 13.05 C ATOM 939 CD GLN A 58 7.863 -4.876 0.067 1.00 70.11 C ATOM 940 OE1 GLN A 58 8.617 -4.509 0.963 1.00 25.13 O ATOM 941 NE2 GLN A 58 8.040 -6.015 -0.569 1.00 3.01 N ATOM 0 H GLN A 58 6.232 -1.269 -2.370 1.00 61.31 H new ATOM 0 HA GLN A 58 4.723 -2.193 -0.002 1.00 63.55 H new ATOM 0 HB2 GLN A 58 7.688 -2.202 -0.698 1.00 51.44 H new ATOM 0 HB3 GLN A 58 7.138 -2.406 0.953 1.00 51.44 H new ATOM 0 HG2 GLN A 58 5.785 -4.389 0.215 1.00 13.05 H new ATOM 0 HG3 GLN A 58 6.451 -4.208 -1.396 1.00 13.05 H new ATOM 0 HE21 GLN A 58 7.395 -6.291 -1.309 1.00 3.01 H new ATOM 0 HE22 GLN A 58 8.822 -6.621 -0.321 1.00 3.01 H new ATOM 950 N GLY A 59 5.431 -0.313 1.586 1.00 15.33 N ATOM 951 CA GLY A 59 5.579 0.898 2.391 1.00 52.01 C ATOM 952 C GLY A 59 5.813 0.584 3.869 1.00 4.45 C ATOM 953 O GLY A 59 5.227 -0.359 4.406 1.00 54.43 O ATOM 0 H GLY A 59 5.072 -1.118 2.100 1.00 15.33 H new ATOM 0 HA2 GLY A 59 6.414 1.486 2.010 1.00 52.01 H new ATOM 0 HA3 GLY A 59 4.684 1.512 2.289 1.00 52.01 H new ATOM 957 N ALA A 60 6.669 1.366 4.529 1.00 35.40 N ATOM 958 CA ALA A 60 7.003 1.132 5.942 1.00 13.13 C ATOM 959 C ALA A 60 6.551 2.289 6.847 1.00 21.02 C ATOM 960 O ALA A 60 6.749 3.463 6.527 1.00 45.14 O ATOM 961 CB ALA A 60 8.502 0.905 6.091 1.00 74.13 C ATOM 0 H ALA A 60 7.145 2.166 4.112 1.00 35.40 H new ATOM 0 HA ALA A 60 6.463 0.241 6.262 1.00 13.13 H new ATOM 0 HB1 ALA A 60 8.741 0.732 7.140 1.00 74.13 H new ATOM 0 HB2 ALA A 60 8.799 0.036 5.504 1.00 74.13 H new ATOM 0 HB3 ALA A 60 9.040 1.784 5.736 1.00 74.13 H new ATOM 967 N GLY A 61 5.950 1.947 7.986 1.00 75.44 N ATOM 968 CA GLY A 61 5.493 2.958 8.938 1.00 64.14 C ATOM 969 C GLY A 61 5.613 2.511 10.393 1.00 34.34 C ATOM 970 O GLY A 61 6.004 1.376 10.670 1.00 51.32 O ATOM 0 H GLY A 61 5.769 0.984 8.271 1.00 75.44 H new ATOM 0 HA2 GLY A 61 6.073 3.870 8.796 1.00 64.14 H new ATOM 0 HA3 GLY A 61 4.453 3.205 8.725 1.00 64.14 H new ATOM 974 N SER A 62 5.258 3.402 11.323 1.00 73.23 N ATOM 975 CA SER A 62 5.338 3.110 12.768 1.00 22.15 C ATOM 976 C SER A 62 4.398 1.966 13.183 1.00 61.22 C ATOM 977 O SER A 62 4.513 1.422 14.282 1.00 65.33 O ATOM 978 CB SER A 62 4.999 4.365 13.581 1.00 31.13 C ATOM 979 OG SER A 62 5.827 5.460 13.215 1.00 30.33 O ATOM 0 H SER A 62 4.911 4.336 11.106 1.00 73.23 H new ATOM 0 HA SER A 62 6.361 2.796 12.974 1.00 22.15 H new ATOM 0 HB2 SER A 62 3.953 4.630 13.425 1.00 31.13 H new ATOM 0 HB3 SER A 62 5.120 4.155 14.644 1.00 31.13 H new ATOM 0 HG SER A 62 5.586 6.245 13.749 1.00 30.33 H new ATOM 985 N ASN A 63 3.453 1.636 12.304 1.00 35.45 N ATOM 986 CA ASN A 63 2.510 0.528 12.515 1.00 71.42 C ATOM 987 C ASN A 63 1.902 0.089 11.174 1.00 62.31 C ATOM 988 O ASN A 63 2.093 0.760 10.157 1.00 45.12 O ATOM 989 CB ASN A 63 1.399 0.932 13.491 1.00 40.24 C ATOM 990 CG ASN A 63 0.701 2.214 13.078 1.00 12.12 C ATOM 991 OD1 ASN A 63 -0.220 2.204 12.270 1.00 2.51 O ATOM 992 ND2 ASN A 63 1.123 3.328 13.642 1.00 20.25 N ATOM 0 H ASN A 63 3.316 2.128 11.421 1.00 35.45 H new ATOM 0 HA ASN A 63 3.058 -0.308 12.949 1.00 71.42 H new ATOM 0 HB2 ASN A 63 0.666 0.128 13.555 1.00 40.24 H new ATOM 0 HB3 ASN A 63 1.823 1.058 14.487 1.00 40.24 H new ATOM 0 HD21 ASN A 63 0.680 4.217 13.410 1.00 20.25 H new ATOM 0 HD22 ASN A 63 1.893 3.301 14.311 1.00 20.25 H new ATOM 999 N LYS A 64 1.163 -1.024 11.172 1.00 71.41 N ATOM 1000 CA LYS A 64 0.601 -1.568 9.927 1.00 23.13 C ATOM 1001 C LYS A 64 -0.356 -0.580 9.241 1.00 72.11 C ATOM 1002 O LYS A 64 -0.340 -0.446 8.022 1.00 61.30 O ATOM 1003 CB LYS A 64 -0.120 -2.900 10.179 1.00 44.20 C ATOM 1004 CG LYS A 64 0.802 -4.026 10.637 1.00 12.02 C ATOM 1005 CD LYS A 64 0.096 -5.383 10.609 1.00 22.43 C ATOM 1006 CE LYS A 64 -1.133 -5.413 11.512 1.00 13.44 C ATOM 1007 NZ LYS A 64 -1.851 -6.711 11.428 1.00 25.34 N ATOM 0 H LYS A 64 0.940 -1.563 12.008 1.00 71.41 H new ATOM 0 HA LYS A 64 1.443 -1.740 9.257 1.00 23.13 H new ATOM 0 HB2 LYS A 64 -0.892 -2.747 10.933 1.00 44.20 H new ATOM 0 HB3 LYS A 64 -0.625 -3.207 9.263 1.00 44.20 H new ATOM 0 HG2 LYS A 64 1.682 -4.060 9.994 1.00 12.02 H new ATOM 0 HG3 LYS A 64 1.154 -3.820 11.648 1.00 12.02 H new ATOM 0 HD2 LYS A 64 -0.201 -5.615 9.586 1.00 22.43 H new ATOM 0 HD3 LYS A 64 0.794 -6.160 10.922 1.00 22.43 H new ATOM 0 HE2 LYS A 64 -0.830 -5.232 12.543 1.00 13.44 H new ATOM 0 HE3 LYS A 64 -1.809 -4.605 11.232 1.00 13.44 H new ATOM 0 HZ1 LYS A 64 -2.680 -6.691 12.056 1.00 25.34 H new ATOM 0 HZ2 LYS A 64 -2.163 -6.873 10.449 1.00 25.34 H new ATOM 0 HZ3 LYS A 64 -1.214 -7.480 11.720 1.00 25.34 H new ATOM 1021 N LYS A 65 -1.183 0.115 10.024 1.00 44.42 N ATOM 1022 CA LYS A 65 -2.109 1.117 9.472 1.00 34.14 C ATOM 1023 C LYS A 65 -1.352 2.205 8.686 1.00 1.41 C ATOM 1024 O LYS A 65 -1.663 2.483 7.523 1.00 32.10 O ATOM 1025 CB LYS A 65 -2.938 1.755 10.597 1.00 5.50 C ATOM 1026 CG LYS A 65 -3.879 0.776 11.297 1.00 50.33 C ATOM 1027 CD LYS A 65 -4.616 1.428 12.466 1.00 4.13 C ATOM 1028 CE LYS A 65 -5.444 2.634 12.027 1.00 34.31 C ATOM 1029 NZ LYS A 65 -6.478 2.270 11.021 1.00 64.03 N ATOM 0 H LYS A 65 -1.234 0.007 11.037 1.00 44.42 H new ATOM 0 HA LYS A 65 -2.781 0.607 8.781 1.00 34.14 H new ATOM 0 HB2 LYS A 65 -2.262 2.186 11.335 1.00 5.50 H new ATOM 0 HB3 LYS A 65 -3.524 2.576 10.184 1.00 5.50 H new ATOM 0 HG2 LYS A 65 -4.604 0.394 10.579 1.00 50.33 H new ATOM 0 HG3 LYS A 65 -3.308 -0.079 11.660 1.00 50.33 H new ATOM 0 HD2 LYS A 65 -5.269 0.693 12.936 1.00 4.13 H new ATOM 0 HD3 LYS A 65 -3.893 1.741 13.220 1.00 4.13 H new ATOM 0 HE2 LYS A 65 -5.927 3.077 12.898 1.00 34.31 H new ATOM 0 HE3 LYS A 65 -4.783 3.393 11.608 1.00 34.31 H new ATOM 0 HZ1 LYS A 65 -7.091 3.091 10.841 1.00 64.03 H new ATOM 0 HZ2 LYS A 65 -6.015 1.983 10.135 1.00 64.03 H new ATOM 0 HZ3 LYS A 65 -7.052 1.482 11.383 1.00 64.03 H new ATOM 1043 N VAL A 66 -0.347 2.806 9.324 1.00 23.24 N ATOM 1044 CA VAL A 66 0.483 3.834 8.677 1.00 2.52 C ATOM 1045 C VAL A 66 1.277 3.251 7.490 1.00 43.34 C ATOM 1046 O VAL A 66 1.428 3.893 6.450 1.00 10.51 O ATOM 1047 CB VAL A 66 1.466 4.481 9.690 1.00 31.32 C ATOM 1048 CG1 VAL A 66 2.347 5.531 9.012 1.00 72.53 C ATOM 1049 CG2 VAL A 66 0.703 5.096 10.865 1.00 54.13 C ATOM 0 H VAL A 66 -0.085 2.602 10.288 1.00 23.24 H new ATOM 0 HA VAL A 66 -0.195 4.601 8.302 1.00 2.52 H new ATOM 0 HB VAL A 66 2.116 3.695 10.074 1.00 31.32 H new ATOM 0 HG11 VAL A 66 3.025 5.966 9.746 1.00 72.53 H new ATOM 0 HG12 VAL A 66 2.926 5.061 8.217 1.00 72.53 H new ATOM 0 HG13 VAL A 66 1.719 6.315 8.589 1.00 72.53 H new ATOM 0 HG21 VAL A 66 1.410 5.544 11.563 1.00 54.13 H new ATOM 0 HG22 VAL A 66 0.022 5.863 10.495 1.00 54.13 H new ATOM 0 HG23 VAL A 66 0.132 4.320 11.375 1.00 54.13 H new ATOM 1059 N ALA A 67 1.769 2.025 7.650 1.00 32.32 N ATOM 1060 CA ALA A 67 2.509 1.338 6.585 1.00 62.11 C ATOM 1061 C ALA A 67 1.623 1.093 5.353 1.00 63.41 C ATOM 1062 O ALA A 67 2.061 1.269 4.216 1.00 14.33 O ATOM 1063 CB ALA A 67 3.069 0.024 7.109 1.00 11.33 C ATOM 0 H ALA A 67 1.670 1.482 8.508 1.00 32.32 H new ATOM 0 HA ALA A 67 3.333 1.980 6.274 1.00 62.11 H new ATOM 0 HB1 ALA A 67 3.617 -0.481 6.314 1.00 11.33 H new ATOM 0 HB2 ALA A 67 3.741 0.222 7.944 1.00 11.33 H new ATOM 0 HB3 ALA A 67 2.250 -0.612 7.446 1.00 11.33 H new ATOM 1069 N LYS A 68 0.375 0.690 5.592 1.00 44.34 N ATOM 1070 CA LYS A 68 -0.608 0.513 4.515 1.00 42.02 C ATOM 1071 C LYS A 68 -0.858 1.838 3.786 1.00 20.02 C ATOM 1072 O LYS A 68 -1.057 1.864 2.570 1.00 45.43 O ATOM 1073 CB LYS A 68 -1.930 -0.038 5.075 1.00 41.11 C ATOM 1074 CG LYS A 68 -1.831 -1.475 5.579 1.00 34.14 C ATOM 1075 CD LYS A 68 -3.136 -1.961 6.208 1.00 40.42 C ATOM 1076 CE LYS A 68 -4.302 -1.894 5.230 1.00 55.34 C ATOM 1077 NZ LYS A 68 -5.529 -2.522 5.786 1.00 54.33 N ATOM 0 H LYS A 68 0.017 0.479 6.523 1.00 44.34 H new ATOM 0 HA LYS A 68 -0.203 -0.205 3.802 1.00 42.02 H new ATOM 0 HB2 LYS A 68 -2.263 0.602 5.892 1.00 41.11 H new ATOM 0 HB3 LYS A 68 -2.693 0.014 4.298 1.00 41.11 H new ATOM 0 HG2 LYS A 68 -1.564 -2.131 4.750 1.00 34.14 H new ATOM 0 HG3 LYS A 68 -1.028 -1.546 6.313 1.00 34.14 H new ATOM 0 HD2 LYS A 68 -3.011 -2.987 6.554 1.00 40.42 H new ATOM 0 HD3 LYS A 68 -3.363 -1.355 7.085 1.00 40.42 H new ATOM 0 HE2 LYS A 68 -4.508 -0.853 4.981 1.00 55.34 H new ATOM 0 HE3 LYS A 68 -4.027 -2.395 4.302 1.00 55.34 H new ATOM 0 HZ1 LYS A 68 -6.299 -2.456 5.090 1.00 54.33 H new ATOM 0 HZ2 LYS A 68 -5.341 -3.522 6.000 1.00 54.33 H new ATOM 0 HZ3 LYS A 68 -5.807 -2.028 6.658 1.00 54.33 H new ATOM 1091 N ALA A 69 -0.849 2.935 4.541 1.00 12.43 N ATOM 1092 CA ALA A 69 -0.962 4.275 3.959 1.00 12.44 C ATOM 1093 C ALA A 69 0.207 4.568 3.004 1.00 2.02 C ATOM 1094 O ALA A 69 0.006 5.055 1.890 1.00 33.33 O ATOM 1095 CB ALA A 69 -1.024 5.324 5.064 1.00 73.01 C ATOM 0 H ALA A 69 -0.765 2.924 5.557 1.00 12.43 H new ATOM 0 HA ALA A 69 -1.884 4.317 3.379 1.00 12.44 H new ATOM 0 HB1 ALA A 69 -1.108 6.316 4.620 1.00 73.01 H new ATOM 0 HB2 ALA A 69 -1.891 5.135 5.697 1.00 73.01 H new ATOM 0 HB3 ALA A 69 -0.117 5.272 5.667 1.00 73.01 H new ATOM 1101 N TYR A 70 1.430 4.262 3.451 1.00 11.24 N ATOM 1102 CA TYR A 70 2.627 4.417 2.610 1.00 54.13 C ATOM 1103 C TYR A 70 2.572 3.518 1.365 1.00 64.20 C ATOM 1104 O TYR A 70 2.851 3.970 0.257 1.00 61.31 O ATOM 1105 CB TYR A 70 3.902 4.104 3.406 1.00 35.33 C ATOM 1106 CG TYR A 70 4.369 5.227 4.310 1.00 14.10 C ATOM 1107 CD1 TYR A 70 4.973 6.362 3.778 1.00 15.25 C ATOM 1108 CD2 TYR A 70 4.225 5.148 5.689 1.00 71.42 C ATOM 1109 CE1 TYR A 70 5.417 7.381 4.594 1.00 55.21 C ATOM 1110 CE2 TYR A 70 4.673 6.163 6.512 1.00 14.50 C ATOM 1111 CZ TYR A 70 5.267 7.278 5.960 1.00 65.11 C ATOM 1112 OH TYR A 70 5.726 8.287 6.781 1.00 33.22 O ATOM 0 H TYR A 70 1.619 3.906 4.388 1.00 11.24 H new ATOM 0 HA TYR A 70 2.649 5.457 2.284 1.00 54.13 H new ATOM 0 HB2 TYR A 70 3.728 3.215 4.012 1.00 35.33 H new ATOM 0 HB3 TYR A 70 4.702 3.861 2.706 1.00 35.33 H new ATOM 0 HD1 TYR A 70 5.096 6.446 2.708 1.00 15.25 H new ATOM 0 HD2 TYR A 70 3.755 4.279 6.125 1.00 71.42 H new ATOM 0 HE1 TYR A 70 5.881 8.257 4.164 1.00 55.21 H new ATOM 0 HE2 TYR A 70 4.558 6.083 7.583 1.00 14.50 H new ATOM 0 HH TYR A 70 5.541 8.058 7.716 1.00 33.22 H new ATOM 1122 N ALA A 71 2.222 2.247 1.559 1.00 61.51 N ATOM 1123 CA ALA A 71 2.109 1.290 0.451 1.00 45.35 C ATOM 1124 C ALA A 71 1.100 1.773 -0.603 1.00 33.03 C ATOM 1125 O ALA A 71 1.381 1.756 -1.804 1.00 32.35 O ATOM 1126 CB ALA A 71 1.716 -0.087 0.980 1.00 32.13 C ATOM 0 H ALA A 71 2.010 1.852 2.475 1.00 61.51 H new ATOM 0 HA ALA A 71 3.083 1.216 -0.032 1.00 45.35 H new ATOM 0 HB1 ALA A 71 1.636 -0.787 0.148 1.00 32.13 H new ATOM 0 HB2 ALA A 71 2.475 -0.439 1.678 1.00 32.13 H new ATOM 0 HB3 ALA A 71 0.756 -0.020 1.492 1.00 32.13 H new ATOM 1132 N ALA A 72 -0.071 2.213 -0.142 1.00 54.24 N ATOM 1133 CA ALA A 72 -1.095 2.768 -1.032 1.00 20.53 C ATOM 1134 C ALA A 72 -0.574 4.007 -1.774 1.00 2.32 C ATOM 1135 O ALA A 72 -0.731 4.130 -2.992 1.00 13.32 O ATOM 1136 CB ALA A 72 -2.354 3.103 -0.240 1.00 45.04 C ATOM 0 H ALA A 72 -0.336 2.196 0.843 1.00 54.24 H new ATOM 0 HA ALA A 72 -1.342 2.014 -1.780 1.00 20.53 H new ATOM 0 HB1 ALA A 72 -3.108 3.514 -0.912 1.00 45.04 H new ATOM 0 HB2 ALA A 72 -2.741 2.198 0.228 1.00 45.04 H new ATOM 0 HB3 ALA A 72 -2.115 3.836 0.530 1.00 45.04 H new ATOM 1142 N LEU A 73 0.060 4.920 -1.039 1.00 51.11 N ATOM 1143 CA LEU A 73 0.672 6.110 -1.641 1.00 3.20 C ATOM 1144 C LEU A 73 1.766 5.729 -2.650 1.00 54.23 C ATOM 1145 O LEU A 73 1.909 6.373 -3.685 1.00 74.30 O ATOM 1146 CB LEU A 73 1.244 7.036 -0.556 1.00 52.05 C ATOM 1147 CG LEU A 73 0.208 7.884 0.196 1.00 4.32 C ATOM 1148 CD1 LEU A 73 0.870 8.689 1.309 1.00 33.44 C ATOM 1149 CD2 LEU A 73 -0.530 8.811 -0.770 1.00 60.33 C ATOM 0 H LEU A 73 0.165 4.861 -0.026 1.00 51.11 H new ATOM 0 HA LEU A 73 -0.110 6.645 -2.180 1.00 3.20 H new ATOM 0 HB2 LEU A 73 1.786 6.428 0.168 1.00 52.05 H new ATOM 0 HB3 LEU A 73 1.970 7.705 -1.018 1.00 52.05 H new ATOM 0 HG LEU A 73 -0.518 7.209 0.650 1.00 4.32 H new ATOM 0 HD11 LEU A 73 0.116 9.282 1.827 1.00 33.44 H new ATOM 0 HD12 LEU A 73 1.346 8.009 2.016 1.00 33.44 H new ATOM 0 HD13 LEU A 73 1.622 9.352 0.881 1.00 33.44 H new ATOM 0 HD21 LEU A 73 -1.260 9.404 -0.219 1.00 60.33 H new ATOM 0 HD22 LEU A 73 0.185 9.475 -1.255 1.00 60.33 H new ATOM 0 HD23 LEU A 73 -1.042 8.216 -1.526 1.00 60.33 H new ATOM 1161 N ALA A 74 2.520 4.673 -2.353 1.00 32.13 N ATOM 1162 CA ALA A 74 3.567 4.189 -3.261 1.00 61.54 C ATOM 1163 C ALA A 74 2.979 3.805 -4.627 1.00 42.04 C ATOM 1164 O ALA A 74 3.615 3.985 -5.669 1.00 51.11 O ATOM 1165 CB ALA A 74 4.297 3.004 -2.636 1.00 64.12 C ATOM 0 H ALA A 74 2.429 4.134 -1.492 1.00 32.13 H new ATOM 0 HA ALA A 74 4.282 4.996 -3.422 1.00 61.54 H new ATOM 0 HB1 ALA A 74 5.071 2.653 -3.318 1.00 64.12 H new ATOM 0 HB2 ALA A 74 4.754 3.313 -1.696 1.00 64.12 H new ATOM 0 HB3 ALA A 74 3.588 2.198 -2.447 1.00 64.12 H new ATOM 1171 N ALA A 75 1.754 3.280 -4.606 1.00 53.11 N ATOM 1172 CA ALA A 75 1.026 2.950 -5.833 1.00 63.01 C ATOM 1173 C ALA A 75 0.437 4.209 -6.488 1.00 31.44 C ATOM 1174 O ALA A 75 0.565 4.409 -7.694 1.00 21.14 O ATOM 1175 CB ALA A 75 -0.079 1.944 -5.531 1.00 71.24 C ATOM 0 H ALA A 75 1.242 3.073 -3.748 1.00 53.11 H new ATOM 0 HA ALA A 75 1.731 2.506 -6.536 1.00 63.01 H new ATOM 0 HB1 ALA A 75 -0.615 1.705 -6.450 1.00 71.24 H new ATOM 0 HB2 ALA A 75 0.359 1.035 -5.119 1.00 71.24 H new ATOM 0 HB3 ALA A 75 -0.773 2.372 -4.807 1.00 71.24 H new ATOM 1181 N LEU A 76 -0.202 5.057 -5.684 1.00 33.11 N ATOM 1182 CA LEU A 76 -0.814 6.301 -6.178 1.00 21.50 C ATOM 1183 C LEU A 76 0.217 7.213 -6.873 1.00 34.24 C ATOM 1184 O LEU A 76 0.024 7.617 -8.019 1.00 14.41 O ATOM 1185 CB LEU A 76 -1.483 7.051 -5.015 1.00 0.50 C ATOM 1186 CG LEU A 76 -2.663 6.319 -4.350 1.00 5.04 C ATOM 1187 CD1 LEU A 76 -3.158 7.093 -3.132 1.00 63.42 C ATOM 1188 CD2 LEU A 76 -3.799 6.103 -5.351 1.00 50.15 C ATOM 0 H LEU A 76 -0.313 4.909 -4.681 1.00 33.11 H new ATOM 0 HA LEU A 76 -1.565 6.030 -6.920 1.00 21.50 H new ATOM 0 HB2 LEU A 76 -0.729 7.255 -4.255 1.00 0.50 H new ATOM 0 HB3 LEU A 76 -1.835 8.015 -5.381 1.00 0.50 H new ATOM 0 HG LEU A 76 -2.314 5.342 -4.016 1.00 5.04 H new ATOM 0 HD11 LEU A 76 -3.992 6.559 -2.676 1.00 63.42 H new ATOM 0 HD12 LEU A 76 -2.349 7.188 -2.408 1.00 63.42 H new ATOM 0 HD13 LEU A 76 -3.487 8.085 -3.441 1.00 63.42 H new ATOM 0 HD21 LEU A 76 -4.623 5.584 -4.860 1.00 50.15 H new ATOM 0 HD22 LEU A 76 -4.147 7.068 -5.721 1.00 50.15 H new ATOM 0 HD23 LEU A 76 -3.439 5.503 -6.186 1.00 50.15 H new ATOM 1200 N GLU A 77 1.312 7.512 -6.172 1.00 71.44 N ATOM 1201 CA GLU A 77 2.398 8.358 -6.703 1.00 12.44 C ATOM 1202 C GLU A 77 2.896 7.883 -8.083 1.00 12.21 C ATOM 1203 O GLU A 77 3.275 8.694 -8.935 1.00 52.14 O ATOM 1204 CB GLU A 77 3.582 8.357 -5.719 1.00 2.22 C ATOM 1205 CG GLU A 77 3.306 9.051 -4.383 1.00 33.45 C ATOM 1206 CD GLU A 77 3.350 10.567 -4.486 1.00 21.31 C ATOM 1207 OE1 GLU A 77 4.438 11.110 -4.791 1.00 13.31 O ATOM 1208 OE2 GLU A 77 2.321 11.226 -4.236 1.00 54.40 O ATOM 0 H GLU A 77 1.477 7.179 -5.222 1.00 71.44 H new ATOM 0 HA GLU A 77 1.992 9.363 -6.822 1.00 12.44 H new ATOM 0 HB2 GLU A 77 3.873 7.325 -5.523 1.00 2.22 H new ATOM 0 HB3 GLU A 77 4.433 8.843 -6.196 1.00 2.22 H new ATOM 0 HG2 GLU A 77 2.327 8.745 -4.015 1.00 33.45 H new ATOM 0 HG3 GLU A 77 4.040 8.720 -3.648 1.00 33.45 H new ATOM 1215 N LYS A 78 2.899 6.567 -8.289 1.00 32.12 N ATOM 1216 CA LYS A 78 3.447 5.965 -9.513 1.00 32.34 C ATOM 1217 C LYS A 78 2.373 5.820 -10.607 1.00 73.15 C ATOM 1218 O LYS A 78 2.569 6.241 -11.750 1.00 72.30 O ATOM 1219 CB LYS A 78 4.062 4.589 -9.169 1.00 22.12 C ATOM 1220 CG LYS A 78 4.918 3.955 -10.276 1.00 74.42 C ATOM 1221 CD LYS A 78 4.082 3.214 -11.323 1.00 61.31 C ATOM 1222 CE LYS A 78 4.956 2.538 -12.375 1.00 41.40 C ATOM 1223 NZ LYS A 78 5.723 3.524 -13.180 1.00 1.11 N ATOM 0 H LYS A 78 2.527 5.890 -7.623 1.00 32.12 H new ATOM 0 HA LYS A 78 4.219 6.625 -9.909 1.00 32.34 H new ATOM 0 HB2 LYS A 78 4.676 4.698 -8.275 1.00 22.12 H new ATOM 0 HB3 LYS A 78 3.254 3.901 -8.919 1.00 22.12 H new ATOM 0 HG2 LYS A 78 5.501 4.733 -10.768 1.00 74.42 H new ATOM 0 HG3 LYS A 78 5.628 3.260 -9.827 1.00 74.42 H new ATOM 0 HD2 LYS A 78 3.463 2.465 -10.829 1.00 61.31 H new ATOM 0 HD3 LYS A 78 3.405 3.916 -11.810 1.00 61.31 H new ATOM 0 HE2 LYS A 78 5.648 1.853 -11.885 1.00 41.40 H new ATOM 0 HE3 LYS A 78 4.330 1.939 -13.036 1.00 41.40 H new ATOM 0 HZ1 LYS A 78 6.210 3.034 -13.957 1.00 1.11 H new ATOM 0 HZ2 LYS A 78 5.072 4.233 -13.573 1.00 1.11 H new ATOM 0 HZ3 LYS A 78 6.425 3.996 -12.574 1.00 1.11 H new ATOM 1237 N LEU A 79 1.241 5.221 -10.248 1.00 74.10 N ATOM 1238 CA LEU A 79 0.193 4.884 -11.219 1.00 35.13 C ATOM 1239 C LEU A 79 -0.729 6.072 -11.536 1.00 12.01 C ATOM 1240 O LEU A 79 -1.251 6.182 -12.649 1.00 70.13 O ATOM 1241 CB LEU A 79 -0.643 3.705 -10.698 1.00 11.13 C ATOM 1242 CG LEU A 79 0.128 2.391 -10.486 1.00 40.40 C ATOM 1243 CD1 LEU A 79 -0.790 1.312 -9.908 1.00 41.51 C ATOM 1244 CD2 LEU A 79 0.756 1.915 -11.794 1.00 22.45 C ATOM 0 H LEU A 79 1.021 4.956 -9.288 1.00 74.10 H new ATOM 0 HA LEU A 79 0.695 4.609 -12.147 1.00 35.13 H new ATOM 0 HB2 LEU A 79 -1.099 3.995 -9.752 1.00 11.13 H new ATOM 0 HB3 LEU A 79 -1.456 3.520 -11.400 1.00 11.13 H new ATOM 0 HG LEU A 79 0.928 2.580 -9.771 1.00 40.40 H new ATOM 0 HD11 LEU A 79 -0.225 0.391 -9.766 1.00 41.51 H new ATOM 0 HD12 LEU A 79 -1.186 1.646 -8.949 1.00 41.51 H new ATOM 0 HD13 LEU A 79 -1.615 1.129 -10.597 1.00 41.51 H new ATOM 0 HD21 LEU A 79 1.296 0.984 -11.621 1.00 22.45 H new ATOM 0 HD22 LEU A 79 -0.027 1.748 -12.534 1.00 22.45 H new ATOM 0 HD23 LEU A 79 1.448 2.673 -12.163 1.00 22.45 H new ATOM 1256 N PHE A 80 -0.939 6.960 -10.568 1.00 60.33 N ATOM 1257 CA PHE A 80 -1.875 8.081 -10.744 1.00 31.34 C ATOM 1258 C PHE A 80 -1.246 9.430 -10.340 1.00 42.22 C ATOM 1259 O PHE A 80 -1.599 10.004 -9.310 1.00 31.25 O ATOM 1260 CB PHE A 80 -3.159 7.835 -9.931 1.00 64.34 C ATOM 1261 CG PHE A 80 -3.821 6.509 -10.224 1.00 32.20 C ATOM 1262 CD1 PHE A 80 -4.620 6.349 -11.348 1.00 31.41 C ATOM 1263 CD2 PHE A 80 -3.638 5.422 -9.379 1.00 44.05 C ATOM 1264 CE1 PHE A 80 -5.218 5.135 -11.623 1.00 33.12 C ATOM 1265 CE2 PHE A 80 -4.236 4.206 -9.650 1.00 35.51 C ATOM 1266 CZ PHE A 80 -5.026 4.063 -10.775 1.00 52.24 C ATOM 0 H PHE A 80 -0.480 6.931 -9.657 1.00 60.33 H new ATOM 0 HA PHE A 80 -2.120 8.136 -11.805 1.00 31.34 H new ATOM 0 HB2 PHE A 80 -2.920 7.885 -8.869 1.00 64.34 H new ATOM 0 HB3 PHE A 80 -3.867 8.638 -10.136 1.00 64.34 H new ATOM 0 HD1 PHE A 80 -4.776 7.184 -12.015 1.00 31.41 H new ATOM 0 HD2 PHE A 80 -3.021 5.528 -8.499 1.00 44.05 H new ATOM 0 HE1 PHE A 80 -5.836 5.024 -12.502 1.00 33.12 H new ATOM 0 HE2 PHE A 80 -4.086 3.369 -8.984 1.00 35.51 H new ATOM 0 HZ PHE A 80 -5.493 3.113 -10.990 1.00 52.24 H new ATOM 1276 N PRO A 81 -0.295 9.952 -11.143 1.00 44.03 N ATOM 1277 CA PRO A 81 0.326 11.260 -10.877 1.00 74.42 C ATOM 1278 C PRO A 81 -0.577 12.442 -11.283 1.00 61.53 C ATOM 1279 O PRO A 81 -0.444 13.543 -10.748 1.00 11.32 O ATOM 1280 CB PRO A 81 1.594 11.216 -11.739 1.00 11.33 C ATOM 1281 CG PRO A 81 1.234 10.333 -12.889 1.00 64.32 C ATOM 1282 CD PRO A 81 0.265 9.306 -12.349 1.00 34.21 C ATOM 0 HA PRO A 81 0.517 11.419 -9.816 1.00 74.42 H new ATOM 0 HB2 PRO A 81 1.879 12.212 -12.077 1.00 11.33 H new ATOM 0 HB3 PRO A 81 2.440 10.815 -11.181 1.00 11.33 H new ATOM 0 HG2 PRO A 81 0.780 10.910 -13.695 1.00 64.32 H new ATOM 0 HG3 PRO A 81 2.121 9.852 -13.302 1.00 64.32 H new ATOM 0 HD2 PRO A 81 -0.513 9.070 -13.075 1.00 34.21 H new ATOM 0 HD3 PRO A 81 0.768 8.370 -12.105 1.00 34.21 H new ATOM 1290 N ASP A 82 -1.484 12.192 -12.242 1.00 63.23 N ATOM 1291 CA ASP A 82 -2.452 13.190 -12.739 1.00 24.41 C ATOM 1292 C ASP A 82 -1.786 14.325 -13.543 1.00 62.43 C ATOM 1293 O ASP A 82 -2.129 14.561 -14.705 1.00 13.20 O ATOM 1294 CB ASP A 82 -3.285 13.769 -11.588 1.00 34.54 C ATOM 1295 CG ASP A 82 -4.447 14.607 -12.093 1.00 63.32 C ATOM 1296 OD1 ASP A 82 -5.504 14.022 -12.412 1.00 72.22 O ATOM 1297 OD2 ASP A 82 -4.301 15.841 -12.199 1.00 63.44 O ATOM 0 H ASP A 82 -1.568 11.284 -12.699 1.00 63.23 H new ATOM 0 HA ASP A 82 -3.112 12.659 -13.425 1.00 24.41 H new ATOM 0 HB2 ASP A 82 -3.666 12.955 -10.971 1.00 34.54 H new ATOM 0 HB3 ASP A 82 -2.647 14.381 -10.950 1.00 34.54 H new ATOM 1302 N THR A 83 -0.859 15.027 -12.904 1.00 60.41 N ATOM 1303 CA THR A 83 -0.125 16.145 -13.526 1.00 21.25 C ATOM 1304 C THR A 83 0.444 15.774 -14.907 1.00 2.43 C ATOM 1305 O THR A 83 0.797 14.615 -15.147 1.00 24.12 O ATOM 1306 CB THR A 83 1.050 16.612 -12.629 1.00 61.21 C ATOM 1307 OG1 THR A 83 2.075 15.603 -12.582 1.00 42.12 O ATOM 1308 CG2 THR A 83 0.571 16.913 -11.216 1.00 65.33 C ATOM 0 H THR A 83 -0.587 14.845 -11.938 1.00 60.41 H new ATOM 0 HA THR A 83 -0.851 16.949 -13.645 1.00 21.25 H new ATOM 0 HB THR A 83 1.459 17.525 -13.063 1.00 61.21 H new ATOM 0 HG1 THR A 83 2.812 15.911 -12.014 1.00 42.12 H new ATOM 0 HG21 THR A 83 1.415 17.238 -10.607 1.00 65.33 H new ATOM 0 HG22 THR A 83 -0.180 17.702 -11.247 1.00 65.33 H new ATOM 0 HG23 THR A 83 0.135 16.014 -10.780 1.00 65.33 H new ATOM 1316 N PRO A 84 0.540 16.759 -15.831 1.00 14.23 N ATOM 1317 CA PRO A 84 1.050 16.545 -17.206 1.00 61.34 C ATOM 1318 C PRO A 84 2.371 15.758 -17.278 1.00 23.04 C ATOM 1319 O PRO A 84 3.103 15.642 -16.295 1.00 33.24 O ATOM 1320 CB PRO A 84 1.256 17.976 -17.721 1.00 51.14 C ATOM 1321 CG PRO A 84 0.243 18.784 -16.988 1.00 4.34 C ATOM 1322 CD PRO A 84 0.141 18.168 -15.615 1.00 22.12 C ATOM 0 HA PRO A 84 0.356 15.940 -17.790 1.00 61.34 H new ATOM 0 HB2 PRO A 84 2.267 18.329 -17.519 1.00 51.14 H new ATOM 0 HB3 PRO A 84 1.107 18.035 -18.799 1.00 51.14 H new ATOM 0 HG2 PRO A 84 0.547 19.829 -16.926 1.00 4.34 H new ATOM 0 HG3 PRO A 84 -0.719 18.761 -17.499 1.00 4.34 H new ATOM 0 HD2 PRO A 84 0.799 18.666 -14.903 1.00 22.12 H new ATOM 0 HD3 PRO A 84 -0.871 18.241 -15.218 1.00 22.12 H new ATOM 1330 N LEU A 85 2.677 15.227 -18.460 1.00 35.01 N ATOM 1331 CA LEU A 85 3.901 14.442 -18.663 1.00 74.03 C ATOM 1332 C LEU A 85 5.166 15.315 -18.549 1.00 54.13 C ATOM 1333 O LEU A 85 5.083 16.536 -18.394 1.00 1.01 O ATOM 1334 CB LEU A 85 3.873 13.738 -20.033 1.00 74.23 C ATOM 1335 CG LEU A 85 2.874 12.569 -20.171 1.00 52.52 C ATOM 1336 CD1 LEU A 85 1.428 13.054 -20.081 1.00 40.12 C ATOM 1337 CD2 LEU A 85 3.106 11.825 -21.482 1.00 21.51 C ATOM 0 H LEU A 85 2.097 15.324 -19.294 1.00 35.01 H new ATOM 0 HA LEU A 85 3.937 13.691 -17.874 1.00 74.03 H new ATOM 0 HB2 LEU A 85 3.641 14.481 -20.797 1.00 74.23 H new ATOM 0 HB3 LEU A 85 4.874 13.362 -20.247 1.00 74.23 H new ATOM 0 HG LEU A 85 3.046 11.884 -19.341 1.00 52.52 H new ATOM 0 HD11 LEU A 85 0.752 12.205 -20.182 1.00 40.12 H new ATOM 0 HD12 LEU A 85 1.265 13.535 -19.116 1.00 40.12 H new ATOM 0 HD13 LEU A 85 1.234 13.769 -20.880 1.00 40.12 H new ATOM 0 HD21 LEU A 85 2.394 11.004 -21.565 1.00 21.51 H new ATOM 0 HD22 LEU A 85 2.969 12.510 -22.318 1.00 21.51 H new ATOM 0 HD23 LEU A 85 4.121 11.429 -21.501 1.00 21.51 H new ATOM 1349 N ALA A 86 6.333 14.680 -18.620 1.00 14.31 N ATOM 1350 CA ALA A 86 7.614 15.393 -18.519 1.00 65.43 C ATOM 1351 C ALA A 86 8.770 14.548 -19.066 1.00 53.01 C ATOM 1352 O ALA A 86 8.667 13.323 -19.165 1.00 33.13 O ATOM 1353 CB ALA A 86 7.888 15.781 -17.069 1.00 24.32 C ATOM 0 H ALA A 86 6.423 13.672 -18.747 1.00 14.31 H new ATOM 0 HA ALA A 86 7.542 16.296 -19.125 1.00 65.43 H new ATOM 0 HB1 ALA A 86 8.840 16.309 -17.007 1.00 24.32 H new ATOM 0 HB2 ALA A 86 7.089 16.430 -16.709 1.00 24.32 H new ATOM 0 HB3 ALA A 86 7.931 14.882 -16.454 1.00 24.32 H new ATOM 1359 N LEU A 87 9.871 15.205 -19.422 1.00 4.12 N ATOM 1360 CA LEU A 87 11.053 14.513 -19.934 1.00 61.41 C ATOM 1361 C LEU A 87 11.771 13.756 -18.803 1.00 44.23 C ATOM 1362 O LEU A 87 12.136 12.586 -18.947 1.00 75.41 O ATOM 1363 CB LEU A 87 12.020 15.519 -20.586 1.00 34.10 C ATOM 1364 CG LEU A 87 11.512 16.233 -21.857 1.00 11.45 C ATOM 1365 CD1 LEU A 87 11.162 15.228 -22.949 1.00 13.24 C ATOM 1366 CD2 LEU A 87 10.322 17.145 -21.556 1.00 12.44 C ATOM 0 H LEU A 87 9.970 16.219 -19.365 1.00 4.12 H new ATOM 0 HA LEU A 87 10.728 13.793 -20.685 1.00 61.41 H new ATOM 0 HB2 LEU A 87 12.274 16.278 -19.846 1.00 34.10 H new ATOM 0 HB3 LEU A 87 12.943 14.995 -20.834 1.00 34.10 H new ATOM 0 HG LEU A 87 12.325 16.862 -22.221 1.00 11.45 H new ATOM 0 HD11 LEU A 87 10.807 15.759 -23.832 1.00 13.24 H new ATOM 0 HD12 LEU A 87 12.048 14.647 -23.206 1.00 13.24 H new ATOM 0 HD13 LEU A 87 10.381 14.558 -22.590 1.00 13.24 H new ATOM 0 HD21 LEU A 87 9.993 17.630 -22.475 1.00 12.44 H new ATOM 0 HD22 LEU A 87 9.504 16.553 -21.146 1.00 12.44 H new ATOM 0 HD23 LEU A 87 10.619 17.904 -20.832 1.00 12.44 H new ATOM 1378 N ASP A 88 11.946 14.430 -17.669 1.00 31.44 N ATOM 1379 CA ASP A 88 12.654 13.861 -16.518 1.00 63.23 C ATOM 1380 C ASP A 88 11.735 12.962 -15.660 1.00 4.34 C ATOM 1381 O ASP A 88 11.590 13.167 -14.452 1.00 73.43 O ATOM 1382 CB ASP A 88 13.244 14.994 -15.672 1.00 74.14 C ATOM 1383 CG ASP A 88 14.146 15.903 -16.486 1.00 24.12 C ATOM 1384 OD1 ASP A 88 15.354 15.613 -16.590 1.00 0.41 O ATOM 1385 OD2 ASP A 88 13.648 16.908 -17.037 1.00 10.31 O ATOM 0 H ASP A 88 11.605 15.380 -17.519 1.00 31.44 H new ATOM 0 HA ASP A 88 13.458 13.227 -16.892 1.00 63.23 H new ATOM 0 HB2 ASP A 88 12.435 15.581 -15.238 1.00 74.14 H new ATOM 0 HB3 ASP A 88 13.810 14.570 -14.843 1.00 74.14 H new ATOM 1390 N ALA A 89 11.122 11.966 -16.299 1.00 51.04 N ATOM 1391 CA ALA A 89 10.274 10.991 -15.598 1.00 32.23 C ATOM 1392 C ALA A 89 11.121 9.899 -14.921 1.00 40.44 C ATOM 1393 O ALA A 89 12.213 9.570 -15.390 1.00 22.35 O ATOM 1394 CB ALA A 89 9.282 10.364 -16.573 1.00 61.14 C ATOM 0 H ALA A 89 11.195 11.809 -17.304 1.00 51.04 H new ATOM 0 HA ALA A 89 9.724 11.518 -14.819 1.00 32.23 H new ATOM 0 HB1 ALA A 89 8.658 9.643 -16.044 1.00 61.14 H new ATOM 0 HB2 ALA A 89 8.652 11.143 -17.002 1.00 61.14 H new ATOM 0 HB3 ALA A 89 9.826 9.857 -17.370 1.00 61.14 H new ATOM 1400 N ASN A 90 10.607 9.330 -13.829 1.00 35.23 N ATOM 1401 CA ASN A 90 11.351 8.334 -13.040 1.00 51.53 C ATOM 1402 C ASN A 90 11.018 6.888 -13.465 1.00 34.22 C ATOM 1403 O ASN A 90 10.126 6.653 -14.283 1.00 52.42 O ATOM 1404 CB ASN A 90 11.042 8.517 -11.548 1.00 31.14 C ATOM 1405 CG ASN A 90 11.386 9.907 -11.049 1.00 70.21 C ATOM 1406 OD1 ASN A 90 10.564 10.818 -11.087 1.00 24.33 O ATOM 1407 ND2 ASN A 90 12.601 10.085 -10.574 1.00 14.25 N ATOM 0 H ASN A 90 9.677 9.539 -13.467 1.00 35.23 H new ATOM 0 HA ASN A 90 12.413 8.496 -13.225 1.00 51.53 H new ATOM 0 HB2 ASN A 90 9.984 8.324 -11.373 1.00 31.14 H new ATOM 0 HB3 ASN A 90 11.600 7.779 -10.972 1.00 31.14 H new ATOM 0 HD21 ASN A 90 12.883 11.001 -10.224 1.00 14.25 H new ATOM 0 HD22 ASN A 90 13.261 9.307 -10.556 1.00 14.25 H new ATOM 1414 N LYS A 91 11.752 5.925 -12.899 1.00 2.30 N ATOM 1415 CA LYS A 91 11.517 4.492 -13.148 1.00 45.41 C ATOM 1416 C LYS A 91 11.759 3.664 -11.869 1.00 12.31 C ATOM 1417 O LYS A 91 10.815 2.993 -11.395 1.00 37.74 O ATOM 1418 CB LYS A 91 12.415 4.000 -14.305 1.00 2.44 C ATOM 1419 CG LYS A 91 12.310 2.497 -14.612 1.00 31.21 C ATOM 1420 CD LYS A 91 13.339 1.671 -13.833 1.00 70.01 C ATOM 1421 CE LYS A 91 13.157 0.171 -14.041 1.00 54.31 C ATOM 1422 NZ LYS A 91 11.885 -0.327 -13.449 1.00 21.43 N ATOM 1423 OXT LYS A 91 12.889 3.709 -11.329 1.00 37.74 O ATOM 0 H LYS A 91 12.523 6.111 -12.258 1.00 2.30 H new ATOM 0 HA LYS A 91 10.475 4.356 -13.437 1.00 45.41 H new ATOM 0 HB2 LYS A 91 12.161 4.559 -15.206 1.00 2.44 H new ATOM 0 HB3 LYS A 91 13.452 4.236 -14.066 1.00 2.44 H new ATOM 0 HG2 LYS A 91 11.307 2.148 -14.368 1.00 31.21 H new ATOM 0 HG3 LYS A 91 12.452 2.336 -15.681 1.00 31.21 H new ATOM 0 HD2 LYS A 91 14.343 1.959 -14.144 1.00 70.01 H new ATOM 0 HD3 LYS A 91 13.256 1.901 -12.771 1.00 70.01 H new ATOM 0 HE2 LYS A 91 13.171 -0.051 -15.108 1.00 54.31 H new ATOM 0 HE3 LYS A 91 13.997 -0.361 -13.594 1.00 54.31 H new ATOM 0 HZ1 LYS A 91 11.880 -1.367 -13.462 1.00 21.43 H new ATOM 0 HZ2 LYS A 91 11.805 0.007 -12.468 1.00 21.43 H new ATOM 0 HZ3 LYS A 91 11.081 0.030 -14.003 1.00 21.43 H new TER 1437 LYS A 91