USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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: B 44 THR OG1 : rot 148:sc= 1.31 USER MOD Set 1.2: B 47 SER OG : rot -74:sc= 0.616! USER MOD Set 2.1: B 19 LYS NZ :NH3+ 156:sc= -0.188 (180deg=-0.946) USER MOD Set 2.2: B 62 TYR OH : rot 180:sc= -0.0128 USER MOD Set 3.1: A 44 THR OG1 : rot 148:sc= 1.22 USER MOD Set 3.2: A 47 SER OG : rot -73:sc= 0.331! USER MOD Set 4.1: A 19 LYS NZ :NH3+ 153:sc= -0.199 (180deg=-0.973) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= -0.0087 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.151 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.587 USER MOD Single : A 14 SER OG : rot -78:sc= 1.38 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.352 USER MOD Single : A 23 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.7!) USER MOD Single : A 28 TYR OH : rot -53:sc= 0.253 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 13:sc= -1.36 USER MOD Single : A 32 SER OG : rot -130:sc= -0.128 USER MOD Single : A 33 SER OG : rot 180:sc= -0.139 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 43 GLN : amide:sc= -3.88 K(o=-3.9,f=-12!) USER MOD Single : A 45 LYS NZ :NH3+ -123:sc= -1.83 (180deg=-4.09!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.776 K(o=-0.78,f=-1.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.16) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.765 K(o=-0.77,f=-2.5!) USER MOD Single : B 1 ALA N :NH3+ -119:sc= 0.134 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 171:sc= -0.541 USER MOD Single : B 14 SER OG : rot -73:sc= 1.39 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.223! USER MOD Single : B 23 ASN : amide:sc= -1.74! C(o=-1.7!,f=-4.8!) USER MOD Single : B 28 TYR OH : rot -52:sc= 0.254 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 27:sc= -1.33 USER MOD Single : B 32 SER OG : rot -130:sc= -0.129 USER MOD Single : B 33 SER OG : rot 180:sc= -0.132 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 43 GLN : amide:sc= -3.89 K(o=-3.9,f=-12!) USER MOD Single : B 45 LYS NZ :NH3+ -120:sc= -1.89 (180deg=-4.1!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.759 K(o=-0.76,f=-1.8!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.0956 X(o=-0.096,f=-0.13) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -0.712 K(o=-0.71,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.686 14.911 -13.703 1.00 0.00 N ATOM 2 CA ALA A 1 -8.093 14.514 -13.415 1.00 0.00 C ATOM 3 C ALA A 1 -8.345 14.643 -11.899 1.00 0.00 C ATOM 4 O ALA A 1 -7.405 14.724 -11.133 1.00 0.00 O ATOM 5 CB ALA A 1 -8.303 13.055 -13.884 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.680 15.780 -14.274 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.183 15.081 -12.809 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.211 14.149 -14.228 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.795 15.159 -13.944 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.330 12.751 -13.679 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.111 12.986 -14.955 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.617 12.399 -13.349 1.00 0.00 H new ATOM 13 N PRO A 2 -9.601 14.655 -11.498 1.00 0.00 N ATOM 14 CA PRO A 2 -9.950 14.767 -10.069 1.00 0.00 C ATOM 15 C PRO A 2 -9.257 13.649 -9.276 1.00 0.00 C ATOM 16 O PRO A 2 -9.138 12.531 -9.737 1.00 0.00 O ATOM 17 CB PRO A 2 -11.491 14.630 -10.022 1.00 0.00 C ATOM 18 CG PRO A 2 -11.992 14.456 -11.487 1.00 0.00 C ATOM 19 CD PRO A 2 -10.760 14.556 -12.414 1.00 0.00 C ATOM 0 HA PRO A 2 -9.625 15.708 -9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.781 13.773 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.940 15.512 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.488 13.493 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.723 15.225 -11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.680 13.682 -13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.825 15.428 -13.065 1.00 0.00 H new ATOM 27 N MET A 3 -8.801 13.944 -8.090 1.00 0.00 N ATOM 28 CA MET A 3 -8.120 12.900 -7.274 1.00 0.00 C ATOM 29 C MET A 3 -9.170 11.995 -6.627 1.00 0.00 C ATOM 30 O MET A 3 -10.258 12.425 -6.300 1.00 0.00 O ATOM 31 CB MET A 3 -7.282 13.570 -6.183 1.00 0.00 C ATOM 32 CG MET A 3 -6.263 14.514 -6.827 1.00 0.00 C ATOM 33 SD MET A 3 -7.104 16.008 -7.406 1.00 0.00 S ATOM 34 CE MET A 3 -5.620 16.985 -7.751 1.00 0.00 C ATOM 0 H MET A 3 -8.870 14.862 -7.651 1.00 0.00 H new ATOM 0 HA MET A 3 -7.471 12.304 -7.915 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.928 14.125 -5.503 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.768 12.814 -5.589 1.00 0.00 H new ATOM 0 HG2 MET A 3 -5.488 14.776 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 3 -5.767 14.017 -7.661 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.910 17.966 -8.127 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.041 17.104 -6.835 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.014 16.474 -8.499 1.00 0.00 H new ATOM 44 N GLY A 4 -8.854 10.742 -6.441 1.00 0.00 N ATOM 45 CA GLY A 4 -9.835 9.811 -5.816 1.00 0.00 C ATOM 46 C GLY A 4 -10.294 10.379 -4.473 1.00 0.00 C ATOM 47 O GLY A 4 -9.944 11.482 -4.103 1.00 0.00 O ATOM 0 H GLY A 4 -7.959 10.323 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.691 9.672 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.381 8.831 -5.672 1.00 0.00 H new ATOM 51 N SER A 5 -11.081 9.637 -3.736 1.00 0.00 N ATOM 52 CA SER A 5 -11.566 10.140 -2.416 1.00 0.00 C ATOM 53 C SER A 5 -10.547 9.786 -1.322 1.00 0.00 C ATOM 54 O SER A 5 -9.976 10.652 -0.690 1.00 0.00 O ATOM 55 CB SER A 5 -12.939 9.514 -2.110 1.00 0.00 C ATOM 56 OG SER A 5 -13.879 10.554 -1.871 1.00 0.00 O ATOM 0 H SER A 5 -11.408 8.705 -3.991 1.00 0.00 H new ATOM 0 HA SER A 5 -11.673 11.224 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.266 8.896 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.870 8.862 -1.240 1.00 0.00 H new ATOM 0 HG SER A 5 -14.757 10.163 -1.677 1.00 0.00 H new ATOM 62 N ASP A 6 -10.319 8.519 -1.093 1.00 0.00 N ATOM 63 CA ASP A 6 -9.341 8.112 -0.038 1.00 0.00 C ATOM 64 C ASP A 6 -8.835 6.689 -0.324 1.00 0.00 C ATOM 65 O ASP A 6 -9.161 5.772 0.402 1.00 0.00 O ATOM 66 CB ASP A 6 -10.031 8.132 1.331 1.00 0.00 C ATOM 67 CG ASP A 6 -10.722 9.482 1.535 1.00 0.00 C ATOM 68 OD1 ASP A 6 -11.838 9.632 1.066 1.00 0.00 O ATOM 69 OD2 ASP A 6 -10.123 10.343 2.159 1.00 0.00 O ATOM 0 H ASP A 6 -10.767 7.749 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.501 8.806 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.761 7.325 1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.300 7.963 2.121 1.00 0.00 H new ATOM 74 N PRO A 7 -8.060 6.537 -1.377 1.00 0.00 N ATOM 75 CA PRO A 7 -7.524 5.213 -1.754 1.00 0.00 C ATOM 76 C PRO A 7 -6.594 4.680 -0.638 1.00 0.00 C ATOM 77 O PRO A 7 -6.233 5.420 0.256 1.00 0.00 O ATOM 78 CB PRO A 7 -6.747 5.461 -3.070 1.00 0.00 C ATOM 79 CG PRO A 7 -6.858 6.979 -3.404 1.00 0.00 C ATOM 80 CD PRO A 7 -7.663 7.649 -2.268 1.00 0.00 C ATOM 0 HA PRO A 7 -8.304 4.463 -1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.703 5.169 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.162 4.860 -3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.867 7.426 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.355 7.125 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.059 8.385 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.535 8.174 -2.658 1.00 0.00 H new ATOM 88 N PRO A 8 -6.229 3.413 -0.722 1.00 0.00 N ATOM 89 CA PRO A 8 -5.338 2.792 0.282 1.00 0.00 C ATOM 90 C PRO A 8 -3.968 3.491 0.275 1.00 0.00 C ATOM 91 O PRO A 8 -3.836 4.615 -0.166 1.00 0.00 O ATOM 92 CB PRO A 8 -5.217 1.312 -0.158 1.00 0.00 C ATOM 93 CG PRO A 8 -5.932 1.177 -1.534 1.00 0.00 C ATOM 94 CD PRO A 8 -6.667 2.506 -1.807 1.00 0.00 C ATOM 0 HA PRO A 8 -5.723 2.877 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.170 1.020 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.676 0.653 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.209 0.970 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.636 0.345 -1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.407 2.907 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.748 2.369 -1.795 1.00 0.00 H new ATOM 102 N THR A 9 -2.950 2.827 0.762 1.00 0.00 N ATOM 103 CA THR A 9 -1.593 3.447 0.784 1.00 0.00 C ATOM 104 C THR A 9 -0.525 2.354 0.799 1.00 0.00 C ATOM 105 O THR A 9 -0.545 1.460 1.621 1.00 0.00 O ATOM 106 CB THR A 9 -1.449 4.307 2.039 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.599 5.128 2.186 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.202 5.184 1.920 1.00 0.00 C ATOM 0 H THR A 9 -3.001 1.883 1.145 1.00 0.00 H new ATOM 0 HA THR A 9 -1.466 4.065 -0.105 1.00 0.00 H new ATOM 0 HB THR A 9 -1.352 3.661 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.580 5.564 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.101 5.797 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.679 4.551 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.294 5.830 1.047 1.00 0.00 H new ATOM 116 N ALA A 10 0.409 2.427 -0.107 1.00 0.00 N ATOM 117 CA ALA A 10 1.488 1.402 -0.154 1.00 0.00 C ATOM 118 C ALA A 10 2.410 1.570 1.053 1.00 0.00 C ATOM 119 O ALA A 10 3.465 2.164 0.959 1.00 0.00 O ATOM 120 CB ALA A 10 2.298 1.588 -1.437 1.00 0.00 C ATOM 0 H ALA A 10 0.472 3.155 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 10 1.046 0.406 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.090 0.841 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.643 1.471 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.739 2.585 -1.448 1.00 0.00 H new ATOM 126 N CYS A 11 2.022 1.039 2.184 1.00 0.00 N ATOM 127 CA CYS A 11 2.872 1.148 3.412 1.00 0.00 C ATOM 128 C CYS A 11 3.461 -0.230 3.721 1.00 0.00 C ATOM 129 O CYS A 11 2.793 -1.238 3.613 1.00 0.00 O ATOM 130 CB CYS A 11 2.009 1.613 4.589 1.00 0.00 C ATOM 131 SG CYS A 11 1.105 3.111 4.120 1.00 0.00 S ATOM 0 H CYS A 11 1.147 0.531 2.312 1.00 0.00 H new ATOM 0 HA CYS A 11 3.674 1.868 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.309 0.827 4.874 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.636 1.811 5.458 1.00 0.00 H new ATOM 136 N CYS A 12 4.711 -0.283 4.091 1.00 0.00 N ATOM 137 CA CYS A 12 5.339 -1.601 4.394 1.00 0.00 C ATOM 138 C CYS A 12 4.819 -2.118 5.736 1.00 0.00 C ATOM 139 O CYS A 12 4.556 -1.357 6.646 1.00 0.00 O ATOM 140 CB CYS A 12 6.859 -1.439 4.464 1.00 0.00 C ATOM 141 SG CYS A 12 7.494 -0.976 2.833 1.00 0.00 S ATOM 0 H CYS A 12 5.323 0.526 4.197 1.00 0.00 H new ATOM 0 HA CYS A 12 5.086 -2.312 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.120 -0.676 5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.320 -2.370 4.794 1.00 0.00 H new ATOM 146 N PHE A 13 4.677 -3.412 5.867 1.00 0.00 N ATOM 147 CA PHE A 13 4.181 -4.002 7.148 1.00 0.00 C ATOM 148 C PHE A 13 5.369 -4.595 7.908 1.00 0.00 C ATOM 149 O PHE A 13 5.310 -4.826 9.099 1.00 0.00 O ATOM 150 CB PHE A 13 3.174 -5.111 6.841 1.00 0.00 C ATOM 151 CG PHE A 13 3.866 -6.218 6.083 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.139 -6.064 4.711 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.241 -7.401 6.749 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.786 -7.094 4.005 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.888 -8.431 6.043 1.00 0.00 C ATOM 156 CZ PHE A 13 5.162 -8.278 4.669 1.00 0.00 C ATOM 0 H PHE A 13 4.885 -4.091 5.135 1.00 0.00 H new ATOM 0 HA PHE A 13 3.699 -3.232 7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.750 -5.499 7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.347 -4.714 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.852 -5.156 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.032 -7.517 7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.995 -6.977 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.175 -9.339 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.660 -9.068 4.126 1.00 0.00 H new ATOM 166 N SER A 14 6.448 -4.840 7.217 1.00 0.00 N ATOM 167 CA SER A 14 7.652 -5.415 7.875 1.00 0.00 C ATOM 168 C SER A 14 8.885 -5.070 7.040 1.00 0.00 C ATOM 169 O SER A 14 8.919 -4.067 6.355 1.00 0.00 O ATOM 170 CB SER A 14 7.507 -6.934 7.971 1.00 0.00 C ATOM 171 OG SER A 14 7.428 -7.482 6.661 1.00 0.00 O ATOM 0 H SER A 14 6.547 -4.665 6.217 1.00 0.00 H new ATOM 0 HA SER A 14 7.758 -5.002 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.357 -7.359 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.613 -7.190 8.539 1.00 0.00 H new ATOM 0 HG SER A 14 6.526 -7.346 6.303 1.00 0.00 H new ATOM 177 N TYR A 15 9.901 -5.890 7.086 1.00 0.00 N ATOM 178 CA TYR A 15 11.130 -5.600 6.289 1.00 0.00 C ATOM 179 C TYR A 15 11.862 -6.911 5.996 1.00 0.00 C ATOM 180 O TYR A 15 11.646 -7.912 6.649 1.00 0.00 O ATOM 181 CB TYR A 15 12.052 -4.666 7.084 1.00 0.00 C ATOM 182 CG TYR A 15 11.228 -3.619 7.794 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.904 -2.413 7.142 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.783 -3.849 9.111 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.135 -1.439 7.806 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.014 -2.874 9.774 1.00 0.00 C ATOM 187 CZ TYR A 15 9.691 -1.669 9.123 1.00 0.00 C ATOM 188 OH TYR A 15 8.938 -0.713 9.774 1.00 0.00 O ATOM 0 H TYR A 15 9.934 -6.746 7.639 1.00 0.00 H new ATOM 0 HA TYR A 15 10.851 -5.118 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.630 -5.240 7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.766 -4.187 6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.246 -2.236 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.032 -4.773 9.612 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.885 -0.515 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.672 -3.051 10.783 1.00 0.00 H new ATOM 0 HH TYR A 15 8.713 -1.030 10.674 1.00 0.00 H new ATOM 198 N THR A 16 12.732 -6.912 5.022 1.00 0.00 N ATOM 199 CA THR A 16 13.477 -8.162 4.703 1.00 0.00 C ATOM 200 C THR A 16 14.263 -8.600 5.944 1.00 0.00 C ATOM 201 O THR A 16 13.954 -8.202 7.049 1.00 0.00 O ATOM 202 CB THR A 16 14.419 -7.913 3.515 1.00 0.00 C ATOM 203 OG1 THR A 16 15.245 -9.048 3.311 1.00 0.00 O ATOM 204 CG2 THR A 16 15.290 -6.685 3.781 1.00 0.00 C ATOM 0 H THR A 16 12.957 -6.107 4.438 1.00 0.00 H new ATOM 0 HA THR A 16 12.783 -8.955 4.425 1.00 0.00 H new ATOM 0 HB THR A 16 13.820 -7.736 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.843 -8.885 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.953 -6.519 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.654 -5.811 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.885 -6.849 4.680 1.00 0.00 H new ATOM 212 N ALA A 17 15.265 -9.423 5.780 1.00 0.00 N ATOM 213 CA ALA A 17 16.057 -9.894 6.958 1.00 0.00 C ATOM 214 C ALA A 17 17.536 -9.947 6.585 1.00 0.00 C ATOM 215 O ALA A 17 18.365 -10.376 7.362 1.00 0.00 O ATOM 216 CB ALA A 17 15.596 -11.300 7.337 1.00 0.00 C ATOM 0 H ALA A 17 15.571 -9.791 4.879 1.00 0.00 H new ATOM 0 HA ALA A 17 15.910 -9.211 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.168 -11.652 8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.536 -11.279 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.754 -11.974 6.495 1.00 0.00 H new ATOM 222 N ARG A 18 17.869 -9.527 5.396 1.00 0.00 N ATOM 223 CA ARG A 18 19.292 -9.565 4.950 1.00 0.00 C ATOM 224 C ARG A 18 19.601 -8.309 4.132 1.00 0.00 C ATOM 225 O ARG A 18 18.856 -7.932 3.252 1.00 0.00 O ATOM 226 CB ARG A 18 19.497 -10.809 4.084 1.00 0.00 C ATOM 227 CG ARG A 18 19.627 -12.047 4.991 1.00 0.00 C ATOM 228 CD ARG A 18 19.459 -13.347 4.181 1.00 0.00 C ATOM 229 NE ARG A 18 18.684 -14.343 4.986 1.00 0.00 N ATOM 230 CZ ARG A 18 18.990 -14.593 6.233 1.00 0.00 C ATOM 231 NH1 ARG A 18 20.079 -14.104 6.759 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.225 -15.378 6.942 1.00 0.00 N ATOM 0 H ARG A 18 17.213 -9.156 4.709 1.00 0.00 H new ATOM 0 HA ARG A 18 19.957 -9.600 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.657 -10.932 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.392 -10.697 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.601 -12.043 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.875 -12.006 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.942 -13.140 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.436 -13.755 3.922 1.00 0.00 H new ATOM 0 HE ARG A 18 17.903 -14.836 4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.700 -13.522 6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.310 -14.304 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.393 -15.793 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.459 -15.576 7.915 1.00 0.00 H new ATOM 246 N LYS A 19 20.699 -7.662 4.414 1.00 0.00 N ATOM 247 CA LYS A 19 21.053 -6.435 3.648 1.00 0.00 C ATOM 248 C LYS A 19 21.278 -6.815 2.181 1.00 0.00 C ATOM 249 O LYS A 19 21.977 -7.760 1.871 1.00 0.00 O ATOM 250 CB LYS A 19 22.328 -5.815 4.249 1.00 0.00 C ATOM 251 CG LYS A 19 23.007 -4.889 3.230 1.00 0.00 C ATOM 252 CD LYS A 19 24.028 -3.993 3.939 1.00 0.00 C ATOM 253 CE LYS A 19 25.166 -4.838 4.515 1.00 0.00 C ATOM 254 NZ LYS A 19 25.657 -5.796 3.484 1.00 0.00 N ATOM 0 H LYS A 19 21.364 -7.930 5.140 1.00 0.00 H new ATOM 0 HA LYS A 19 20.247 -5.703 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.077 -5.253 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.018 -6.605 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.502 -5.481 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.259 -4.276 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.428 -3.261 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.540 -3.435 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.981 -4.192 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.819 -5.382 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.653 -6.027 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.087 -6.665 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.573 -5.365 2.541 1.00 0.00 H new ATOM 268 N LEU A 20 20.688 -6.083 1.277 1.00 0.00 N ATOM 269 CA LEU A 20 20.862 -6.397 -0.168 1.00 0.00 C ATOM 270 C LEU A 20 22.277 -5.970 -0.616 1.00 0.00 C ATOM 271 O LEU A 20 22.651 -4.838 -0.382 1.00 0.00 O ATOM 272 CB LEU A 20 19.838 -5.600 -0.978 1.00 0.00 C ATOM 273 CG LEU A 20 18.451 -5.721 -0.342 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.421 -5.074 -1.267 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.096 -7.199 -0.140 1.00 0.00 C ATOM 0 H LEU A 20 20.092 -5.280 1.477 1.00 0.00 H new ATOM 0 HA LEU A 20 20.724 -7.466 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.135 -4.552 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.809 -5.968 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 20 18.450 -5.219 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.430 -5.156 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.669 -4.022 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.428 -5.582 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.108 -7.277 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.095 -7.708 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.833 -7.664 0.515 1.00 0.00 H new ATOM 287 N PRO A 21 23.037 -6.844 -1.262 1.00 0.00 N ATOM 288 CA PRO A 21 24.381 -6.462 -1.726 1.00 0.00 C ATOM 289 C PRO A 21 24.281 -5.213 -2.604 1.00 0.00 C ATOM 290 O PRO A 21 23.350 -5.058 -3.366 1.00 0.00 O ATOM 291 CB PRO A 21 24.886 -7.671 -2.544 1.00 0.00 C ATOM 292 CG PRO A 21 23.854 -8.818 -2.358 1.00 0.00 C ATOM 293 CD PRO A 21 22.651 -8.239 -1.580 1.00 0.00 C ATOM 0 HA PRO A 21 25.059 -6.227 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.983 -7.409 -3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.873 -7.982 -2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.534 -9.206 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.299 -9.650 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.741 -8.270 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.455 -8.811 -0.673 1.00 0.00 H new ATOM 301 N ARG A 22 25.237 -4.333 -2.520 1.00 0.00 N ATOM 302 CA ARG A 22 25.188 -3.117 -3.377 1.00 0.00 C ATOM 303 C ARG A 22 24.954 -3.565 -4.825 1.00 0.00 C ATOM 304 O ARG A 22 24.277 -2.911 -5.594 1.00 0.00 O ATOM 305 CB ARG A 22 26.524 -2.349 -3.248 1.00 0.00 C ATOM 306 CG ARG A 22 26.274 -0.830 -3.261 1.00 0.00 C ATOM 307 CD ARG A 22 25.684 -0.389 -4.618 1.00 0.00 C ATOM 308 NE ARG A 22 26.335 0.884 -5.067 1.00 0.00 N ATOM 309 CZ ARG A 22 26.492 1.893 -4.249 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.966 1.869 -3.056 1.00 0.00 N ATOM 311 NH2 ARG A 22 27.146 2.951 -4.646 1.00 0.00 N ATOM 0 H ARG A 22 26.044 -4.401 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 22 24.381 -2.453 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 22 27.026 -2.633 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.188 -2.622 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.590 -0.562 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 22 27.208 -0.300 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.839 -1.170 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 22 24.607 -0.245 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 22 26.662 0.965 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 22 25.426 1.058 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 22 26.094 2.661 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.531 2.988 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 22 27.271 3.741 -4.013 1.00 0.00 H new ATOM 325 N ASN A 23 25.511 -4.692 -5.189 1.00 0.00 N ATOM 326 CA ASN A 23 25.328 -5.209 -6.574 1.00 0.00 C ATOM 327 C ASN A 23 23.910 -5.766 -6.735 1.00 0.00 C ATOM 328 O ASN A 23 23.636 -6.526 -7.644 1.00 0.00 O ATOM 329 CB ASN A 23 26.345 -6.321 -6.840 1.00 0.00 C ATOM 330 CG ASN A 23 26.212 -6.797 -8.287 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.512 -6.194 -9.076 1.00 0.00 O ATOM 332 ND2 ASN A 23 26.860 -7.863 -8.674 1.00 0.00 N ATOM 0 H ASN A 23 26.086 -5.277 -4.583 1.00 0.00 H new ATOM 0 HA ASN A 23 25.479 -4.397 -7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.356 -5.956 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.178 -7.153 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.778 -8.188 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.448 -8.370 -8.013 1.00 0.00 H new ATOM 339 N PHE A 24 23.008 -5.402 -5.859 1.00 0.00 N ATOM 340 CA PHE A 24 21.604 -5.919 -5.956 1.00 0.00 C ATOM 341 C PHE A 24 20.635 -4.777 -5.638 1.00 0.00 C ATOM 342 O PHE A 24 19.546 -4.989 -5.141 1.00 0.00 O ATOM 343 CB PHE A 24 21.421 -7.065 -4.943 1.00 0.00 C ATOM 344 CG PHE A 24 20.255 -7.952 -5.339 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.270 -8.634 -6.575 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.156 -8.109 -4.467 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.190 -9.464 -6.935 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.078 -8.938 -4.831 1.00 0.00 C ATOM 349 CZ PHE A 24 18.095 -9.616 -6.064 1.00 0.00 C ATOM 0 H PHE A 24 23.181 -4.768 -5.079 1.00 0.00 H new ATOM 0 HA PHE A 24 21.405 -6.293 -6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.334 -7.659 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.250 -6.654 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.110 -8.519 -7.245 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.142 -7.592 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.202 -9.985 -7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.237 -9.054 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.268 -10.253 -6.342 1.00 0.00 H new ATOM 359 N VAL A 25 21.028 -3.564 -5.931 1.00 0.00 N ATOM 360 CA VAL A 25 20.148 -2.390 -5.659 1.00 0.00 C ATOM 361 C VAL A 25 20.430 -1.310 -6.706 1.00 0.00 C ATOM 362 O VAL A 25 21.276 -0.459 -6.522 1.00 0.00 O ATOM 363 CB VAL A 25 20.447 -1.841 -4.261 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.480 -0.700 -3.939 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.273 -2.952 -3.225 1.00 0.00 C ATOM 0 H VAL A 25 21.929 -3.336 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 25 19.101 -2.690 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 25 21.472 -1.471 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.695 -0.311 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.600 0.096 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.456 -1.071 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.486 -2.559 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.248 -3.322 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.960 -3.768 -3.448 1.00 0.00 H new ATOM 375 N VAL A 26 19.734 -1.348 -7.811 1.00 0.00 N ATOM 376 CA VAL A 26 19.965 -0.337 -8.880 1.00 0.00 C ATOM 377 C VAL A 26 19.168 0.929 -8.581 1.00 0.00 C ATOM 378 O VAL A 26 19.364 1.957 -9.198 1.00 0.00 O ATOM 379 CB VAL A 26 19.516 -0.914 -10.222 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.430 -2.075 -10.608 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.074 -1.419 -10.109 1.00 0.00 C ATOM 0 H VAL A 26 19.013 -2.039 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 26 21.026 -0.090 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 26 19.569 -0.137 -10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.110 -2.487 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.456 -1.718 -10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.377 -2.850 -9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.756 -1.830 -11.067 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.019 -2.195 -9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.419 -0.592 -9.834 1.00 0.00 H new ATOM 391 N ASP A 27 18.266 0.870 -7.643 1.00 0.00 N ATOM 392 CA ASP A 27 17.463 2.079 -7.322 1.00 0.00 C ATOM 393 C ASP A 27 16.665 1.833 -6.047 1.00 0.00 C ATOM 394 O ASP A 27 16.831 0.828 -5.385 1.00 0.00 O ATOM 395 CB ASP A 27 16.502 2.372 -8.477 1.00 0.00 C ATOM 396 CG ASP A 27 15.927 3.781 -8.320 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.647 4.644 -7.847 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.775 3.973 -8.675 1.00 0.00 O ATOM 0 H ASP A 27 18.051 0.042 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 27 18.127 2.931 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.025 2.286 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.696 1.638 -8.488 1.00 0.00 H new ATOM 403 N TYR A 28 15.794 2.738 -5.698 1.00 0.00 N ATOM 404 CA TYR A 28 14.985 2.547 -4.466 1.00 0.00 C ATOM 405 C TYR A 28 13.695 3.356 -4.565 1.00 0.00 C ATOM 406 O TYR A 28 13.400 3.966 -5.574 1.00 0.00 O ATOM 407 CB TYR A 28 15.786 2.981 -3.233 1.00 0.00 C ATOM 408 CG TYR A 28 15.884 4.492 -3.157 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.550 5.212 -4.168 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.314 5.180 -2.066 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.647 6.614 -4.090 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.410 6.581 -1.986 1.00 0.00 C ATOM 413 CZ TYR A 28 16.077 7.299 -2.998 1.00 0.00 C ATOM 414 OH TYR A 28 16.172 8.674 -2.920 1.00 0.00 O ATOM 0 H TYR A 28 15.609 3.599 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 28 14.737 1.490 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.309 2.598 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.786 2.549 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.987 4.687 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.803 4.630 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.158 7.164 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.973 7.106 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 28 17.110 8.943 -3.010 1.00 0.00 H new ATOM 424 N TYR A 29 12.924 3.344 -3.524 1.00 0.00 N ATOM 425 CA TYR A 29 11.640 4.085 -3.529 1.00 0.00 C ATOM 426 C TYR A 29 11.187 4.270 -2.073 1.00 0.00 C ATOM 427 O TYR A 29 11.341 3.386 -1.260 1.00 0.00 O ATOM 428 CB TYR A 29 10.617 3.262 -4.332 1.00 0.00 C ATOM 429 CG TYR A 29 9.207 3.679 -3.994 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.719 4.919 -4.439 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.384 2.826 -3.235 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.404 5.311 -4.125 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.069 3.216 -2.920 1.00 0.00 C ATOM 434 CZ TYR A 29 6.578 4.460 -3.364 1.00 0.00 C ATOM 435 OH TYR A 29 5.289 4.843 -3.055 1.00 0.00 O ATOM 0 H TYR A 29 13.130 2.846 -2.658 1.00 0.00 H new ATOM 0 HA TYR A 29 11.740 5.067 -3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.794 3.395 -5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.748 2.201 -4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.353 5.571 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.761 1.873 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.028 6.264 -4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.436 2.562 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 29 4.857 4.140 -2.526 1.00 0.00 H new ATOM 445 N GLU A 30 10.640 5.407 -1.731 1.00 0.00 N ATOM 446 CA GLU A 30 10.189 5.630 -0.319 1.00 0.00 C ATOM 447 C GLU A 30 8.681 5.375 -0.214 1.00 0.00 C ATOM 448 O GLU A 30 7.955 5.464 -1.185 1.00 0.00 O ATOM 449 CB GLU A 30 10.496 7.071 0.093 1.00 0.00 C ATOM 450 CG GLU A 30 11.992 7.218 0.385 1.00 0.00 C ATOM 451 CD GLU A 30 12.315 8.686 0.668 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.413 9.407 1.060 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.462 9.064 0.490 1.00 0.00 O ATOM 0 H GLU A 30 10.485 6.191 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 30 10.717 4.943 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.202 7.757 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.916 7.338 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.268 6.602 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.576 6.863 -0.465 1.00 0.00 H new ATOM 460 N THR A 31 8.212 5.050 0.959 1.00 0.00 N ATOM 461 CA THR A 31 6.753 4.775 1.143 1.00 0.00 C ATOM 462 C THR A 31 5.954 6.078 1.105 1.00 0.00 C ATOM 463 O THR A 31 6.436 7.109 0.679 1.00 0.00 O ATOM 464 CB THR A 31 6.542 4.105 2.500 1.00 0.00 C ATOM 465 OG1 THR A 31 7.207 4.864 3.493 1.00 0.00 O ATOM 466 CG2 THR A 31 7.107 2.683 2.459 1.00 0.00 C ATOM 0 H THR A 31 8.777 4.962 1.804 1.00 0.00 H new ATOM 0 HA THR A 31 6.411 4.125 0.338 1.00 0.00 H new ATOM 0 HB THR A 31 5.478 4.055 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.466 5.733 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.957 2.204 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.594 2.110 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.173 2.721 2.234 1.00 0.00 H new ATOM 474 N SER A 32 4.730 6.027 1.556 1.00 0.00 N ATOM 475 CA SER A 32 3.870 7.243 1.564 1.00 0.00 C ATOM 476 C SER A 32 4.091 8.022 2.859 1.00 0.00 C ATOM 477 O SER A 32 5.191 8.116 3.366 1.00 0.00 O ATOM 478 CB SER A 32 2.407 6.818 1.483 1.00 0.00 C ATOM 479 OG SER A 32 2.230 5.948 0.373 1.00 0.00 O ATOM 0 H SER A 32 4.285 5.185 1.923 1.00 0.00 H new ATOM 0 HA SER A 32 4.125 7.874 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.111 6.316 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.767 7.694 1.378 1.00 0.00 H new ATOM 0 HG SER A 32 1.472 6.256 -0.166 1.00 0.00 H new ATOM 485 N SER A 33 3.042 8.580 3.394 1.00 0.00 N ATOM 486 CA SER A 33 3.153 9.363 4.661 1.00 0.00 C ATOM 487 C SER A 33 1.888 9.149 5.486 1.00 0.00 C ATOM 488 O SER A 33 1.926 9.083 6.699 1.00 0.00 O ATOM 489 CB SER A 33 3.278 10.844 4.321 1.00 0.00 C ATOM 490 OG SER A 33 1.986 11.374 4.056 1.00 0.00 O ATOM 0 H SER A 33 2.101 8.528 3.005 1.00 0.00 H new ATOM 0 HA SER A 33 4.027 9.037 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.742 11.381 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.924 10.977 3.453 1.00 0.00 H new ATOM 0 HG SER A 33 2.061 12.327 3.839 1.00 0.00 H new ATOM 496 N LEU A 34 0.768 9.048 4.823 1.00 0.00 N ATOM 497 CA LEU A 34 -0.532 8.842 5.529 1.00 0.00 C ATOM 498 C LEU A 34 -0.357 7.857 6.685 1.00 0.00 C ATOM 499 O LEU A 34 -0.654 8.158 7.825 1.00 0.00 O ATOM 500 CB LEU A 34 -1.560 8.273 4.548 1.00 0.00 C ATOM 501 CG LEU A 34 -1.480 9.010 3.211 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.628 8.549 2.311 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.588 10.520 3.450 1.00 0.00 C ATOM 0 H LEU A 34 0.697 9.100 3.807 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.874 9.801 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.378 7.209 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.563 8.369 4.965 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.528 8.790 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.575 9.072 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.549 7.475 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.580 8.771 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.531 11.044 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.540 10.745 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.770 10.846 4.093 1.00 0.00 H new ATOM 515 N CYS A 35 0.121 6.680 6.398 1.00 0.00 N ATOM 516 CA CYS A 35 0.312 5.674 7.476 1.00 0.00 C ATOM 517 C CYS A 35 1.460 6.122 8.386 1.00 0.00 C ATOM 518 O CYS A 35 2.525 6.477 7.931 1.00 0.00 O ATOM 519 CB CYS A 35 0.626 4.308 6.858 1.00 0.00 C ATOM 520 SG CYS A 35 1.729 4.512 5.438 1.00 0.00 S ATOM 0 H CYS A 35 0.388 6.371 5.463 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.600 5.589 8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.092 3.661 7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.297 3.820 6.545 1.00 0.00 H new ATOM 525 N SER A 36 1.234 6.134 9.669 1.00 0.00 N ATOM 526 CA SER A 36 2.295 6.573 10.622 1.00 0.00 C ATOM 527 C SER A 36 3.481 5.596 10.626 1.00 0.00 C ATOM 528 O SER A 36 4.123 5.414 11.642 1.00 0.00 O ATOM 529 CB SER A 36 1.703 6.649 12.030 1.00 0.00 C ATOM 530 OG SER A 36 0.607 7.554 12.029 1.00 0.00 O ATOM 0 H SER A 36 0.354 5.857 10.103 1.00 0.00 H new ATOM 0 HA SER A 36 2.658 7.551 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.374 5.661 12.353 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.462 6.979 12.739 1.00 0.00 H new ATOM 0 HG SER A 36 0.223 7.604 12.929 1.00 0.00 H new ATOM 536 N GLN A 37 3.792 4.956 9.523 1.00 0.00 N ATOM 537 CA GLN A 37 4.946 4.003 9.536 1.00 0.00 C ATOM 538 C GLN A 37 5.559 3.855 8.133 1.00 0.00 C ATOM 539 O GLN A 37 5.519 2.782 7.567 1.00 0.00 O ATOM 540 CB GLN A 37 4.462 2.634 10.023 1.00 0.00 C ATOM 541 CG GLN A 37 3.163 2.257 9.306 1.00 0.00 C ATOM 542 CD GLN A 37 2.696 0.882 9.785 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.834 0.550 10.946 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.143 0.061 8.934 1.00 0.00 N ATOM 0 H GLN A 37 3.307 5.050 8.631 1.00 0.00 H new ATOM 0 HA GLN A 37 5.711 4.396 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.225 1.880 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.299 2.658 11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.395 3.004 9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.321 2.244 8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.027 0.339 7.959 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.827 -0.858 9.244 1.00 0.00 H new ATOM 553 N PRO A 38 6.132 4.921 7.616 1.00 0.00 N ATOM 554 CA PRO A 38 6.777 4.882 6.287 1.00 0.00 C ATOM 555 C PRO A 38 8.034 4.000 6.368 1.00 0.00 C ATOM 556 O PRO A 38 8.390 3.501 7.416 1.00 0.00 O ATOM 557 CB PRO A 38 7.148 6.354 5.986 1.00 0.00 C ATOM 558 CG PRO A 38 6.866 7.179 7.276 1.00 0.00 C ATOM 559 CD PRO A 38 6.181 6.236 8.291 1.00 0.00 C ATOM 0 HA PRO A 38 6.138 4.466 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.197 6.435 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.560 6.735 5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.794 7.576 7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.225 8.032 7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.745 6.181 9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.181 6.588 8.544 1.00 0.00 H new ATOM 567 N ALA A 39 8.705 3.817 5.269 1.00 0.00 N ATOM 568 CA ALA A 39 9.936 2.987 5.260 1.00 0.00 C ATOM 569 C ALA A 39 10.630 3.183 3.916 1.00 0.00 C ATOM 570 O ALA A 39 10.055 3.723 2.993 1.00 0.00 O ATOM 571 CB ALA A 39 9.566 1.513 5.436 1.00 0.00 C ATOM 0 H ALA A 39 8.449 4.213 4.365 1.00 0.00 H new ATOM 0 HA ALA A 39 10.597 3.283 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.472 0.907 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.047 1.379 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.915 1.201 4.619 1.00 0.00 H new ATOM 577 N VAL A 40 11.849 2.733 3.781 1.00 0.00 N ATOM 578 CA VAL A 40 12.554 2.882 2.473 1.00 0.00 C ATOM 579 C VAL A 40 12.390 1.573 1.706 1.00 0.00 C ATOM 580 O VAL A 40 12.350 0.505 2.285 1.00 0.00 O ATOM 581 CB VAL A 40 14.043 3.178 2.707 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.834 2.928 1.417 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.205 4.644 3.112 1.00 0.00 C ATOM 0 H VAL A 40 12.385 2.271 4.515 1.00 0.00 H new ATOM 0 HA VAL A 40 12.132 3.710 1.904 1.00 0.00 H new ATOM 0 HB VAL A 40 14.419 2.526 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.889 3.140 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.718 1.887 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.458 3.579 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.260 4.861 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.825 5.285 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.646 4.832 4.029 1.00 0.00 H new ATOM 593 N VAL A 41 12.268 1.657 0.411 1.00 0.00 N ATOM 594 CA VAL A 41 12.074 0.432 -0.426 1.00 0.00 C ATOM 595 C VAL A 41 13.211 0.315 -1.444 1.00 0.00 C ATOM 596 O VAL A 41 13.400 1.175 -2.276 1.00 0.00 O ATOM 597 CB VAL A 41 10.731 0.558 -1.146 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.277 -0.803 -1.664 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.686 1.090 -0.161 1.00 0.00 C ATOM 0 H VAL A 41 12.294 2.532 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 41 12.080 -0.461 0.199 1.00 0.00 H new ATOM 0 HB VAL A 41 10.842 1.240 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.320 -0.697 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.019 -1.193 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.168 -1.493 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.724 1.183 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.591 0.399 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.998 2.067 0.208 1.00 0.00 H new ATOM 609 N PHE A 42 13.980 -0.740 -1.383 1.00 0.00 N ATOM 610 CA PHE A 42 15.113 -0.898 -2.345 1.00 0.00 C ATOM 611 C PHE A 42 14.656 -1.679 -3.581 1.00 0.00 C ATOM 612 O PHE A 42 14.019 -2.708 -3.482 1.00 0.00 O ATOM 613 CB PHE A 42 16.261 -1.662 -1.671 1.00 0.00 C ATOM 614 CG PHE A 42 16.993 -0.752 -0.707 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.683 0.379 -1.191 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.998 -1.041 0.673 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.371 1.220 -0.295 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.689 -0.199 1.566 1.00 0.00 C ATOM 619 CZ PHE A 42 18.375 0.931 1.082 1.00 0.00 C ATOM 0 H PHE A 42 13.874 -1.499 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 42 15.452 0.093 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.869 -2.529 -1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.952 -2.037 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.684 0.600 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.472 -1.908 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.896 2.088 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.693 -0.421 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.904 1.576 1.768 1.00 0.00 H new ATOM 629 N GLN A 43 15.010 -1.202 -4.745 1.00 0.00 N ATOM 630 CA GLN A 43 14.641 -1.908 -6.008 1.00 0.00 C ATOM 631 C GLN A 43 15.855 -2.742 -6.432 1.00 0.00 C ATOM 632 O GLN A 43 16.946 -2.216 -6.574 1.00 0.00 O ATOM 633 CB GLN A 43 14.310 -0.861 -7.076 1.00 0.00 C ATOM 634 CG GLN A 43 13.097 -0.037 -6.628 1.00 0.00 C ATOM 635 CD GLN A 43 13.012 1.244 -7.462 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.693 2.210 -7.184 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.199 1.291 -8.481 1.00 0.00 N ATOM 0 H GLN A 43 15.545 -0.344 -4.876 1.00 0.00 H new ATOM 0 HA GLN A 43 13.773 -2.553 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.167 -0.207 -7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.099 -1.350 -8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.184 -0.621 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.183 0.211 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.627 0.480 -8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.136 2.139 -9.044 1.00 0.00 H new ATOM 646 N THR A 44 15.705 -4.044 -6.588 1.00 0.00 N ATOM 647 CA THR A 44 16.902 -4.891 -6.940 1.00 0.00 C ATOM 648 C THR A 44 16.978 -5.197 -8.436 1.00 0.00 C ATOM 649 O THR A 44 16.402 -4.519 -9.264 1.00 0.00 O ATOM 650 CB THR A 44 16.826 -6.217 -6.189 1.00 0.00 C ATOM 651 OG1 THR A 44 15.972 -7.101 -6.896 1.00 0.00 O ATOM 652 CG2 THR A 44 16.271 -5.980 -4.784 1.00 0.00 C ATOM 0 H THR A 44 14.824 -4.549 -6.489 1.00 0.00 H new ATOM 0 HA THR A 44 17.789 -4.324 -6.657 1.00 0.00 H new ATOM 0 HB THR A 44 17.822 -6.653 -6.111 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.280 -8.023 -6.771 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.217 -6.928 -4.249 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.926 -5.296 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.273 -5.547 -4.855 1.00 0.00 H new ATOM 660 N LYS A 45 17.715 -6.233 -8.770 1.00 0.00 N ATOM 661 CA LYS A 45 17.889 -6.642 -10.196 1.00 0.00 C ATOM 662 C LYS A 45 17.129 -7.945 -10.464 1.00 0.00 C ATOM 663 O LYS A 45 16.780 -8.243 -11.588 1.00 0.00 O ATOM 664 CB LYS A 45 19.371 -6.895 -10.469 1.00 0.00 C ATOM 665 CG LYS A 45 20.199 -5.705 -9.987 1.00 0.00 C ATOM 666 CD LYS A 45 21.688 -6.009 -10.182 1.00 0.00 C ATOM 667 CE LYS A 45 22.483 -4.707 -10.157 1.00 0.00 C ATOM 668 NZ LYS A 45 22.343 -4.063 -8.822 1.00 0.00 N ATOM 0 H LYS A 45 18.210 -6.820 -8.099 1.00 0.00 H new ATOM 0 HA LYS A 45 17.507 -5.849 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.694 -7.803 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.532 -7.053 -11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.924 -4.808 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.992 -5.506 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.039 -6.677 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.843 -6.524 -11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.534 -4.906 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.124 -4.035 -10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.962 -3.102 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.695 -4.624 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.274 -4.013 -8.362 1.00 0.00 H new ATOM 682 N ARG A 46 16.890 -8.737 -9.440 1.00 0.00 N ATOM 683 CA ARG A 46 16.172 -10.039 -9.635 1.00 0.00 C ATOM 684 C ARG A 46 15.037 -10.127 -8.608 1.00 0.00 C ATOM 685 O ARG A 46 14.920 -11.071 -7.858 1.00 0.00 O ATOM 686 CB ARG A 46 17.169 -11.200 -9.436 1.00 0.00 C ATOM 687 CG ARG A 46 16.694 -12.472 -10.168 1.00 0.00 C ATOM 688 CD ARG A 46 15.512 -13.117 -9.438 1.00 0.00 C ATOM 689 NE ARG A 46 15.307 -14.497 -9.962 1.00 0.00 N ATOM 690 CZ ARG A 46 14.561 -15.341 -9.304 1.00 0.00 C ATOM 691 NH1 ARG A 46 13.994 -14.977 -8.185 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.382 -16.549 -9.762 1.00 0.00 N ATOM 0 H ARG A 46 17.162 -8.536 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 46 15.756 -10.102 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.151 -10.908 -9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.281 -11.409 -8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.403 -12.221 -11.188 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.516 -13.185 -10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.704 -13.147 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.610 -12.522 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 46 15.750 -14.782 -10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.134 -14.033 -7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.411 -15.637 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.825 -16.834 -10.635 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.799 -17.208 -9.247 1.00 0.00 H new ATOM 706 N SER A 47 14.199 -9.137 -8.581 1.00 0.00 N ATOM 707 CA SER A 47 13.058 -9.135 -7.639 1.00 0.00 C ATOM 708 C SER A 47 12.141 -7.988 -8.037 1.00 0.00 C ATOM 709 O SER A 47 11.655 -7.927 -9.149 1.00 0.00 O ATOM 710 CB SER A 47 13.547 -8.965 -6.194 1.00 0.00 C ATOM 711 OG SER A 47 13.947 -7.621 -5.972 1.00 0.00 O ATOM 0 H SER A 47 14.259 -8.316 -9.183 1.00 0.00 H new ATOM 0 HA SER A 47 12.523 -10.083 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.753 -9.236 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.383 -9.638 -6.002 1.00 0.00 H new ATOM 0 HG SER A 47 14.796 -7.452 -6.432 1.00 0.00 H new ATOM 717 N LYS A 48 11.918 -7.073 -7.159 1.00 0.00 N ATOM 718 CA LYS A 48 11.058 -5.917 -7.492 1.00 0.00 C ATOM 719 C LYS A 48 11.333 -4.817 -6.480 1.00 0.00 C ATOM 720 O LYS A 48 12.177 -3.965 -6.683 1.00 0.00 O ATOM 721 CB LYS A 48 9.586 -6.329 -7.430 1.00 0.00 C ATOM 722 CG LYS A 48 8.707 -5.105 -7.687 1.00 0.00 C ATOM 723 CD LYS A 48 7.269 -5.553 -7.955 1.00 0.00 C ATOM 724 CE LYS A 48 6.408 -4.334 -8.291 1.00 0.00 C ATOM 725 NZ LYS A 48 5.101 -4.786 -8.845 1.00 0.00 N ATOM 0 H LYS A 48 12.297 -7.072 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 48 11.274 -5.563 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.381 -7.100 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.357 -6.757 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.736 -4.437 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.089 -4.543 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.247 -6.265 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.868 -6.065 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.247 -3.732 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.922 -3.701 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.516 -3.957 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.264 -5.343 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.610 -5.373 -8.141 1.00 0.00 H new ATOM 739 N GLN A 49 10.626 -4.848 -5.382 1.00 0.00 N ATOM 740 CA GLN A 49 10.810 -3.826 -4.315 1.00 0.00 C ATOM 741 C GLN A 49 10.964 -4.545 -2.965 1.00 0.00 C ATOM 742 O GLN A 49 10.338 -5.559 -2.713 1.00 0.00 O ATOM 743 CB GLN A 49 9.563 -2.921 -4.298 1.00 0.00 C ATOM 744 CG GLN A 49 9.798 -1.675 -5.162 1.00 0.00 C ATOM 745 CD GLN A 49 8.549 -0.793 -5.137 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.594 0.333 -4.681 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.427 -1.259 -5.614 1.00 0.00 N ATOM 0 H GLN A 49 9.917 -5.552 -5.178 1.00 0.00 H new ATOM 0 HA GLN A 49 11.698 -3.221 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.700 -3.473 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.334 -2.624 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.657 -1.118 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.029 -1.968 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.389 -2.204 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.588 -0.678 -5.604 1.00 0.00 H new ATOM 756 N VAL A 50 11.794 -4.024 -2.096 1.00 0.00 N ATOM 757 CA VAL A 50 11.998 -4.659 -0.756 1.00 0.00 C ATOM 758 C VAL A 50 12.000 -3.570 0.313 1.00 0.00 C ATOM 759 O VAL A 50 12.763 -2.630 0.246 1.00 0.00 O ATOM 760 CB VAL A 50 13.340 -5.397 -0.733 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.432 -6.241 0.540 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.444 -6.308 -1.962 1.00 0.00 C ATOM 0 H VAL A 50 12.343 -3.180 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 50 11.195 -5.370 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 50 14.155 -4.674 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.386 -6.768 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.358 -5.592 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.618 -6.965 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.399 -6.833 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.631 -7.033 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.376 -5.706 -2.868 1.00 0.00 H new ATOM 772 N CYS A 51 11.153 -3.690 1.296 1.00 0.00 N ATOM 773 CA CYS A 51 11.099 -2.657 2.365 1.00 0.00 C ATOM 774 C CYS A 51 12.328 -2.785 3.263 1.00 0.00 C ATOM 775 O CYS A 51 12.906 -3.845 3.394 1.00 0.00 O ATOM 776 CB CYS A 51 9.834 -2.863 3.197 1.00 0.00 C ATOM 777 SG CYS A 51 8.376 -2.660 2.145 1.00 0.00 S ATOM 0 H CYS A 51 10.494 -4.461 1.405 1.00 0.00 H new ATOM 0 HA CYS A 51 11.085 -1.664 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.838 -3.858 3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.806 -2.146 4.018 1.00 0.00 H new ATOM 782 N ALA A 52 12.737 -1.705 3.877 1.00 0.00 N ATOM 783 CA ALA A 52 13.938 -1.754 4.767 1.00 0.00 C ATOM 784 C ALA A 52 13.733 -0.815 5.959 1.00 0.00 C ATOM 785 O ALA A 52 13.253 0.293 5.815 1.00 0.00 O ATOM 786 CB ALA A 52 15.170 -1.305 3.976 1.00 0.00 C ATOM 0 H ALA A 52 12.292 -0.790 3.801 1.00 0.00 H new ATOM 0 HA ALA A 52 14.082 -2.772 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.048 -1.339 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.318 -1.970 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.021 -0.286 3.619 1.00 0.00 H new ATOM 792 N ASP A 53 14.095 -1.255 7.136 1.00 0.00 N ATOM 793 CA ASP A 53 13.926 -0.397 8.345 1.00 0.00 C ATOM 794 C ASP A 53 14.910 0.796 8.275 1.00 0.00 C ATOM 795 O ASP A 53 16.105 0.572 8.288 1.00 0.00 O ATOM 796 CB ASP A 53 14.250 -1.229 9.591 1.00 0.00 C ATOM 797 CG ASP A 53 13.571 -2.595 9.487 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.764 -3.256 8.480 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.873 -2.958 10.420 1.00 0.00 O ATOM 0 H ASP A 53 14.501 -2.174 7.312 1.00 0.00 H new ATOM 0 HA ASP A 53 12.902 -0.027 8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.329 -1.354 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.909 -0.709 10.486 1.00 0.00 H new ATOM 804 N PRO A 54 14.426 2.032 8.208 1.00 0.00 N ATOM 805 CA PRO A 54 15.338 3.194 8.144 1.00 0.00 C ATOM 806 C PRO A 54 16.190 3.267 9.420 1.00 0.00 C ATOM 807 O PRO A 54 17.104 4.061 9.522 1.00 0.00 O ATOM 808 CB PRO A 54 14.415 4.428 8.022 1.00 0.00 C ATOM 809 CG PRO A 54 12.944 3.921 8.065 1.00 0.00 C ATOM 810 CD PRO A 54 12.985 2.381 8.187 1.00 0.00 C ATOM 0 HA PRO A 54 16.033 3.131 7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.603 5.129 8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.609 4.961 7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.413 4.358 8.910 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.409 4.220 7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.485 2.044 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.477 1.906 7.348 1.00 0.00 H new ATOM 818 N SER A 55 15.886 2.458 10.393 1.00 0.00 N ATOM 819 CA SER A 55 16.665 2.495 11.662 1.00 0.00 C ATOM 820 C SER A 55 18.015 1.803 11.463 1.00 0.00 C ATOM 821 O SER A 55 18.939 1.998 12.228 1.00 0.00 O ATOM 822 CB SER A 55 15.882 1.775 12.761 1.00 0.00 C ATOM 823 OG SER A 55 15.665 0.425 12.375 1.00 0.00 O ATOM 0 H SER A 55 15.132 1.772 10.366 1.00 0.00 H new ATOM 0 HA SER A 55 16.832 3.533 11.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.433 1.813 13.701 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.928 2.275 12.931 1.00 0.00 H new ATOM 0 HG SER A 55 15.165 -0.040 13.078 1.00 0.00 H new ATOM 829 N GLU A 56 18.144 0.999 10.443 1.00 0.00 N ATOM 830 CA GLU A 56 19.443 0.305 10.203 1.00 0.00 C ATOM 831 C GLU A 56 20.399 1.260 9.479 1.00 0.00 C ATOM 832 O GLU A 56 20.137 1.715 8.382 1.00 0.00 O ATOM 833 CB GLU A 56 19.208 -0.943 9.354 1.00 0.00 C ATOM 834 CG GLU A 56 18.633 -2.062 10.228 1.00 0.00 C ATOM 835 CD GLU A 56 18.140 -3.203 9.338 1.00 0.00 C ATOM 836 OE1 GLU A 56 18.069 -3.003 8.137 1.00 0.00 O ATOM 837 OE2 GLU A 56 17.842 -4.258 9.873 1.00 0.00 O ATOM 0 H GLU A 56 17.409 0.793 9.767 1.00 0.00 H new ATOM 0 HA GLU A 56 19.883 0.007 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.521 -0.716 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.145 -1.268 8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.395 -2.427 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.812 -1.679 10.834 1.00 0.00 H new ATOM 844 N SER A 57 21.495 1.573 10.105 1.00 0.00 N ATOM 845 CA SER A 57 22.484 2.508 9.500 1.00 0.00 C ATOM 846 C SER A 57 22.834 2.106 8.064 1.00 0.00 C ATOM 847 O SER A 57 23.026 2.952 7.213 1.00 0.00 O ATOM 848 CB SER A 57 23.758 2.505 10.345 1.00 0.00 C ATOM 849 OG SER A 57 24.714 3.376 9.756 1.00 0.00 O ATOM 0 H SER A 57 21.753 1.216 11.025 1.00 0.00 H new ATOM 0 HA SER A 57 22.040 3.503 9.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.534 2.826 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.162 1.495 10.411 1.00 0.00 H new ATOM 0 HG SER A 57 25.532 3.378 10.296 1.00 0.00 H new ATOM 855 N TRP A 58 22.945 0.836 7.778 1.00 0.00 N ATOM 856 CA TRP A 58 23.313 0.438 6.391 1.00 0.00 C ATOM 857 C TRP A 58 22.246 0.928 5.416 1.00 0.00 C ATOM 858 O TRP A 58 22.531 1.243 4.279 1.00 0.00 O ATOM 859 CB TRP A 58 23.509 -1.085 6.298 1.00 0.00 C ATOM 860 CG TRP A 58 22.203 -1.815 6.196 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.634 -2.521 7.200 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.320 -1.965 5.042 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.459 -3.089 6.743 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.216 -2.772 5.423 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.362 -1.480 3.713 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.189 -3.089 4.521 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.332 -1.797 2.802 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.246 -2.599 3.207 1.00 0.00 C ATOM 0 H TRP A 58 22.799 0.069 8.434 1.00 0.00 H new ATOM 0 HA TRP A 58 24.261 0.903 6.122 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.124 -1.319 5.429 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.052 -1.435 7.176 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.033 -2.624 8.198 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.846 -3.672 7.313 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.189 -0.863 3.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.360 -3.706 4.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.376 -1.423 1.790 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.459 -2.836 2.507 1.00 0.00 H new ATOM 879 N VAL A 59 21.027 1.024 5.856 1.00 0.00 N ATOM 880 CA VAL A 59 19.961 1.518 4.949 1.00 0.00 C ATOM 881 C VAL A 59 20.241 2.981 4.627 1.00 0.00 C ATOM 882 O VAL A 59 20.175 3.403 3.491 1.00 0.00 O ATOM 883 CB VAL A 59 18.607 1.381 5.642 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.503 1.956 4.751 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.343 -0.102 5.900 1.00 0.00 C ATOM 0 H VAL A 59 20.723 0.783 6.800 1.00 0.00 H new ATOM 0 HA VAL A 59 19.944 0.937 4.027 1.00 0.00 H new ATOM 0 HB VAL A 59 18.615 1.930 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.541 1.854 5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.703 3.010 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.479 1.413 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.379 -0.219 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.332 -0.640 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.130 -0.506 6.537 1.00 0.00 H new ATOM 895 N GLN A 60 20.575 3.756 5.618 1.00 0.00 N ATOM 896 CA GLN A 60 20.883 5.189 5.360 1.00 0.00 C ATOM 897 C GLN A 60 22.137 5.282 4.487 1.00 0.00 C ATOM 898 O GLN A 60 22.251 6.137 3.631 1.00 0.00 O ATOM 899 CB GLN A 60 21.129 5.908 6.688 1.00 0.00 C ATOM 900 CG GLN A 60 19.846 5.889 7.522 1.00 0.00 C ATOM 901 CD GLN A 60 18.844 6.888 6.940 1.00 0.00 C ATOM 902 OE1 GLN A 60 17.952 6.512 6.204 1.00 0.00 O ATOM 903 NE2 GLN A 60 18.951 8.153 7.241 1.00 0.00 N ATOM 0 H GLN A 60 20.648 3.462 6.592 1.00 0.00 H new ATOM 0 HA GLN A 60 20.043 5.659 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.937 5.421 7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.442 6.936 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.417 4.887 7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.069 6.143 8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.699 8.469 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.287 8.826 6.859 1.00 0.00 H new ATOM 912 N GLU A 61 23.082 4.407 4.703 1.00 0.00 N ATOM 913 CA GLU A 61 24.336 4.435 3.895 1.00 0.00 C ATOM 914 C GLU A 61 24.023 4.123 2.429 1.00 0.00 C ATOM 915 O GLU A 61 24.417 4.844 1.534 1.00 0.00 O ATOM 916 CB GLU A 61 25.315 3.392 4.440 1.00 0.00 C ATOM 917 CG GLU A 61 26.704 3.638 3.848 1.00 0.00 C ATOM 918 CD GLU A 61 27.616 2.454 4.176 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.320 1.360 3.725 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.596 2.662 4.873 1.00 0.00 O ATOM 0 H GLU A 61 23.039 3.671 5.407 1.00 0.00 H new ATOM 0 HA GLU A 61 24.781 5.428 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.356 3.450 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.972 2.389 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.633 3.768 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.125 4.558 4.252 1.00 0.00 H new ATOM 927 N TYR A 62 23.318 3.055 2.178 1.00 0.00 N ATOM 928 CA TYR A 62 22.983 2.697 0.769 1.00 0.00 C ATOM 929 C TYR A 62 22.145 3.819 0.146 1.00 0.00 C ATOM 930 O TYR A 62 22.285 4.134 -1.019 1.00 0.00 O ATOM 931 CB TYR A 62 22.184 1.382 0.742 1.00 0.00 C ATOM 932 CG TYR A 62 23.116 0.185 0.829 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.065 0.087 1.869 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.027 -0.841 -0.135 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.919 -1.033 1.940 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.881 -1.957 -0.062 1.00 0.00 C ATOM 937 CZ TYR A 62 24.826 -2.053 0.975 1.00 0.00 C ATOM 938 OH TYR A 62 25.662 -3.148 1.047 1.00 0.00 O ATOM 0 H TYR A 62 22.959 2.414 2.886 1.00 0.00 H new ATOM 0 HA TYR A 62 23.904 2.568 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.479 1.362 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.597 1.326 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.137 0.869 2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.301 -0.770 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.645 -1.108 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.811 -2.740 -0.803 1.00 0.00 H new ATOM 0 HH TYR A 62 25.466 -3.758 0.306 1.00 0.00 H new ATOM 948 N VAL A 63 21.286 4.429 0.912 1.00 0.00 N ATOM 949 CA VAL A 63 20.455 5.533 0.363 1.00 0.00 C ATOM 950 C VAL A 63 21.377 6.690 0.008 1.00 0.00 C ATOM 951 O VAL A 63 21.205 7.358 -0.991 1.00 0.00 O ATOM 952 CB VAL A 63 19.442 5.977 1.422 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.767 7.281 0.984 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.379 4.889 1.595 1.00 0.00 C ATOM 0 H VAL A 63 21.124 4.210 1.895 1.00 0.00 H new ATOM 0 HA VAL A 63 19.915 5.203 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 63 19.960 6.141 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.048 7.591 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.522 8.058 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.251 7.123 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.657 5.203 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.867 4.727 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.856 3.962 1.913 1.00 0.00 H new ATOM 964 N TYR A 64 22.360 6.924 0.825 1.00 0.00 N ATOM 965 CA TYR A 64 23.306 8.030 0.551 1.00 0.00 C ATOM 966 C TYR A 64 24.042 7.744 -0.755 1.00 0.00 C ATOM 967 O TYR A 64 24.228 8.611 -1.584 1.00 0.00 O ATOM 968 CB TYR A 64 24.314 8.129 1.701 1.00 0.00 C ATOM 969 CG TYR A 64 24.974 9.490 1.691 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.240 10.628 2.078 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.320 9.621 1.297 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.852 11.897 2.070 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.932 10.888 1.289 1.00 0.00 C ATOM 974 CZ TYR A 64 26.198 12.026 1.675 1.00 0.00 C ATOM 975 OH TYR A 64 26.798 13.269 1.666 1.00 0.00 O ATOM 0 H TYR A 64 22.549 6.393 1.675 1.00 0.00 H new ATOM 0 HA TYR A 64 22.763 8.971 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.809 7.967 2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.069 7.348 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.208 10.528 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.883 8.748 1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.290 12.770 2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.964 10.988 0.987 1.00 0.00 H new ATOM 0 HH TYR A 64 27.728 13.181 1.369 1.00 0.00 H new ATOM 985 N ASP A 65 24.459 6.527 -0.937 1.00 0.00 N ATOM 986 CA ASP A 65 25.189 6.160 -2.184 1.00 0.00 C ATOM 987 C ASP A 65 24.277 6.377 -3.394 1.00 0.00 C ATOM 988 O ASP A 65 24.719 6.759 -4.458 1.00 0.00 O ATOM 989 CB ASP A 65 25.602 4.686 -2.107 1.00 0.00 C ATOM 990 CG ASP A 65 26.851 4.542 -1.234 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.825 5.224 -1.511 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.813 3.753 -0.304 1.00 0.00 O ATOM 0 H ASP A 65 24.327 5.764 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 65 26.077 6.784 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.787 4.092 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.800 4.302 -3.108 1.00 0.00 H new ATOM 997 N LEU A 66 23.008 6.135 -3.234 1.00 0.00 N ATOM 998 CA LEU A 66 22.059 6.325 -4.366 1.00 0.00 C ATOM 999 C LEU A 66 21.879 7.822 -4.631 1.00 0.00 C ATOM 1000 O LEU A 66 21.633 8.241 -5.745 1.00 0.00 O ATOM 1001 CB LEU A 66 20.712 5.692 -3.992 1.00 0.00 C ATOM 1002 CG LEU A 66 20.759 4.166 -4.219 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.679 3.484 -3.375 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.497 3.838 -5.699 1.00 0.00 C ATOM 0 H LEU A 66 22.584 5.812 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 66 22.447 5.850 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.479 5.905 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.916 6.132 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 66 21.747 3.806 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.716 2.407 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.853 3.697 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.698 3.862 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.533 2.758 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.513 4.210 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.259 4.313 -6.317 1.00 0.00 H new ATOM 1016 N GLU A 67 22.006 8.628 -3.618 1.00 0.00 N ATOM 1017 CA GLU A 67 21.852 10.098 -3.808 1.00 0.00 C ATOM 1018 C GLU A 67 23.079 10.640 -4.540 1.00 0.00 C ATOM 1019 O GLU A 67 23.002 11.602 -5.277 1.00 0.00 O ATOM 1020 CB GLU A 67 21.737 10.777 -2.442 1.00 0.00 C ATOM 1021 CG GLU A 67 20.431 10.351 -1.763 1.00 0.00 C ATOM 1022 CD GLU A 67 19.259 11.139 -2.354 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.144 12.313 -2.045 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.497 10.554 -3.105 1.00 0.00 O ATOM 0 H GLU A 67 22.210 8.334 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 67 20.955 10.301 -4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.588 10.506 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.760 11.860 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.270 9.282 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.495 10.526 -0.689 1.00 0.00 H new ATOM 1031 N LEU A 68 24.211 10.024 -4.342 1.00 0.00 N ATOM 1032 CA LEU A 68 25.447 10.498 -5.029 1.00 0.00 C ATOM 1033 C LEU A 68 25.428 10.036 -6.488 1.00 0.00 C ATOM 1034 O LEU A 68 24.894 10.702 -7.352 1.00 0.00 O ATOM 1035 CB LEU A 68 26.677 9.923 -4.331 1.00 0.00 C ATOM 1036 CG LEU A 68 26.738 10.417 -2.882 1.00 0.00 C ATOM 1037 CD1 LEU A 68 27.946 9.782 -2.204 1.00 0.00 C ATOM 1038 CD2 LEU A 68 26.868 11.953 -2.838 1.00 0.00 C ATOM 0 H LEU A 68 24.335 9.214 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 68 25.486 11.587 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.640 8.834 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.580 10.221 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 68 25.821 10.136 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 68 28.004 10.123 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 68 27.845 8.697 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 68 28.854 10.071 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.910 12.285 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 68 27.780 12.256 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.006 12.405 -3.329 1.00 0.00 H new ATOM 1050 N ASN A 69 26.010 8.900 -6.771 1.00 0.00 N ATOM 1051 CA ASN A 69 26.028 8.393 -8.175 1.00 0.00 C ATOM 1052 C ASN A 69 24.781 7.543 -8.426 1.00 0.00 C ATOM 1053 O ASN A 69 24.797 6.768 -9.368 1.00 0.00 O ATOM 1054 CB ASN A 69 27.278 7.536 -8.387 1.00 0.00 C ATOM 1055 CG ASN A 69 27.386 6.502 -7.266 1.00 0.00 C ATOM 1056 OD1 ASN A 69 26.511 5.676 -7.099 1.00 0.00 O ATOM 1057 ND2 ASN A 69 28.431 6.511 -6.485 1.00 0.00 N ATOM 1058 OXT ASN A 69 23.832 7.682 -7.672 1.00 0.00 O ATOM 0 H ASN A 69 26.474 8.300 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 69 26.039 9.235 -8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 69 27.228 7.035 -9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 69 28.166 8.167 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 69 28.513 5.825 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.166 7.204 -6.625 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 6.617 -15.046 -13.474 1.00 0.00 N ATOM 1067 CA ALA B 1 8.024 -14.644 -13.187 1.00 0.00 C ATOM 1068 C ALA B 1 8.271 -14.753 -11.669 1.00 0.00 C ATOM 1069 O ALA B 1 7.330 -14.822 -10.905 1.00 0.00 O ATOM 1070 CB ALA B 1 8.235 -13.193 -13.677 1.00 0.00 C ATOM 0 H1 ALA B 1 6.614 -15.874 -14.103 1.00 0.00 H new ATOM 0 H2 ALA B 1 6.136 -15.286 -12.584 1.00 0.00 H new ATOM 0 H3 ALA B 1 6.118 -14.259 -13.935 1.00 0.00 H new ATOM 0 HA ALA B 1 8.728 -15.295 -13.704 1.00 0.00 H new ATOM 0 HB1 ALA B 1 9.261 -12.886 -13.473 1.00 0.00 H new ATOM 0 HB2 ALA B 1 8.047 -13.140 -14.749 1.00 0.00 H new ATOM 0 HB3 ALA B 1 7.547 -12.529 -13.154 1.00 0.00 H new ATOM 1078 N PRO B 2 9.527 -14.758 -11.265 1.00 0.00 N ATOM 1079 CA PRO B 2 9.871 -14.851 -9.834 1.00 0.00 C ATOM 1080 C PRO B 2 9.177 -13.721 -9.059 1.00 0.00 C ATOM 1081 O PRO B 2 9.059 -12.610 -9.535 1.00 0.00 O ATOM 1082 CB PRO B 2 11.413 -14.712 -9.783 1.00 0.00 C ATOM 1083 CG PRO B 2 11.916 -14.560 -11.250 1.00 0.00 C ATOM 1084 CD PRO B 2 10.688 -14.672 -12.179 1.00 0.00 C ATOM 0 HA PRO B 2 9.544 -15.786 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO B 2 11.701 -13.846 -9.187 1.00 0.00 H new ATOM 0 HB3 PRO B 2 11.862 -15.587 -9.312 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.413 -13.600 -11.387 1.00 0.00 H new ATOM 0 HG3 PRO B 2 12.647 -15.334 -11.486 1.00 0.00 H new ATOM 0 HD2 PRO B 2 10.610 -13.806 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO B 2 10.754 -15.553 -12.818 1.00 0.00 H new ATOM 1092 N MET B 3 8.718 -14.000 -7.869 1.00 0.00 N ATOM 1093 CA MET B 3 8.034 -12.944 -7.070 1.00 0.00 C ATOM 1094 C MET B 3 9.082 -12.030 -6.433 1.00 0.00 C ATOM 1095 O MET B 3 10.169 -12.456 -6.097 1.00 0.00 O ATOM 1096 CB MET B 3 7.192 -13.599 -5.972 1.00 0.00 C ATOM 1097 CG MET B 3 6.175 -14.552 -6.605 1.00 0.00 C ATOM 1098 SD MET B 3 7.018 -16.053 -7.161 1.00 0.00 S ATOM 1099 CE MET B 3 5.535 -17.036 -7.496 1.00 0.00 C ATOM 0 H MET B 3 8.787 -14.912 -7.417 1.00 0.00 H new ATOM 0 HA MET B 3 7.387 -12.357 -7.721 1.00 0.00 H new ATOM 0 HB2 MET B 3 7.836 -14.144 -5.282 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.676 -12.835 -5.390 1.00 0.00 H new ATOM 0 HG2 MET B 3 5.399 -14.805 -5.882 1.00 0.00 H new ATOM 0 HG3 MET B 3 5.681 -14.067 -7.447 1.00 0.00 H new ATOM 0 HE1 MET B 3 5.826 -18.022 -7.858 1.00 0.00 H new ATOM 0 HE2 MET B 3 4.954 -17.142 -6.580 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.930 -16.536 -8.253 1.00 0.00 H new ATOM 1109 N GLY B 4 8.765 -10.774 -6.265 1.00 0.00 N ATOM 1110 CA GLY B 4 9.745 -9.835 -5.650 1.00 0.00 C ATOM 1111 C GLY B 4 10.200 -10.384 -4.297 1.00 0.00 C ATOM 1112 O GLY B 4 9.848 -11.481 -3.913 1.00 0.00 O ATOM 0 H GLY B 4 7.871 -10.359 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY B 4 10.604 -9.706 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY B 4 9.291 -8.852 -5.521 1.00 0.00 H new ATOM 1116 N SER B 5 10.985 -9.632 -3.570 1.00 0.00 N ATOM 1117 CA SER B 5 11.467 -10.115 -2.242 1.00 0.00 C ATOM 1118 C SER B 5 10.444 -9.746 -1.156 1.00 0.00 C ATOM 1119 O SER B 5 9.872 -10.603 -0.513 1.00 0.00 O ATOM 1120 CB SER B 5 12.838 -9.485 -1.940 1.00 0.00 C ATOM 1121 OG SER B 5 13.777 -10.522 -1.685 1.00 0.00 O ATOM 0 H SER B 5 11.313 -8.704 -3.839 1.00 0.00 H new ATOM 0 HA SER B 5 11.576 -11.199 -2.257 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.167 -8.878 -2.783 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.766 -8.822 -1.078 1.00 0.00 H new ATOM 0 HG SER B 5 14.654 -10.129 -1.493 1.00 0.00 H new ATOM 1127 N ASP B 6 10.216 -8.477 -0.945 1.00 0.00 N ATOM 1128 CA ASP B 6 9.235 -8.055 0.101 1.00 0.00 C ATOM 1129 C ASP B 6 8.730 -6.637 -0.206 1.00 0.00 C ATOM 1130 O ASP B 6 9.053 -5.709 0.508 1.00 0.00 O ATOM 1131 CB ASP B 6 9.920 -8.057 1.472 1.00 0.00 C ATOM 1132 CG ASP B 6 10.611 -9.402 1.698 1.00 0.00 C ATOM 1133 OD1 ASP B 6 11.728 -9.559 1.234 1.00 0.00 O ATOM 1134 OD2 ASP B 6 10.010 -10.255 2.332 1.00 0.00 O ATOM 0 H ASP B 6 10.666 -7.714 -1.451 1.00 0.00 H new ATOM 0 HA ASP B 6 8.394 -8.749 0.106 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.649 -7.248 1.527 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.185 -7.878 2.257 1.00 0.00 H new ATOM 1139 N PRO B 7 7.957 -6.499 -1.263 1.00 0.00 N ATOM 1140 CA PRO B 7 7.421 -5.180 -1.660 1.00 0.00 C ATOM 1141 C PRO B 7 6.490 -4.633 -0.555 1.00 0.00 C ATOM 1142 O PRO B 7 6.125 -5.359 0.349 1.00 0.00 O ATOM 1143 CB PRO B 7 6.649 -5.447 -2.975 1.00 0.00 C ATOM 1144 CG PRO B 7 6.761 -6.969 -3.287 1.00 0.00 C ATOM 1145 CD PRO B 7 7.563 -7.623 -2.140 1.00 0.00 C ATOM 0 HA PRO B 7 8.200 -4.431 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.604 -5.153 -2.872 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.067 -4.857 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.771 -7.418 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.260 -7.128 -4.243 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.958 -8.352 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.437 -8.152 -2.520 1.00 0.00 H new ATOM 1153 N PRO B 8 6.125 -3.367 -0.658 1.00 0.00 N ATOM 1154 CA PRO B 8 5.232 -2.732 0.335 1.00 0.00 C ATOM 1155 C PRO B 8 3.862 -3.430 0.334 1.00 0.00 C ATOM 1156 O PRO B 8 3.731 -4.560 -0.091 1.00 0.00 O ATOM 1157 CB PRO B 8 5.111 -1.257 -0.126 1.00 0.00 C ATOM 1158 CG PRO B 8 5.830 -1.141 -1.501 1.00 0.00 C ATOM 1159 CD PRO B 8 6.566 -2.475 -1.754 1.00 0.00 C ATOM 0 HA PRO B 8 5.615 -2.804 1.353 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.064 -0.967 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.567 -0.588 0.604 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.110 -0.944 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.535 -0.309 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.309 -2.890 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.647 -2.338 -1.741 1.00 0.00 H new ATOM 1167 N THR B 9 2.842 -2.760 0.809 1.00 0.00 N ATOM 1168 CA THR B 9 1.484 -3.379 0.836 1.00 0.00 C ATOM 1169 C THR B 9 0.417 -2.286 0.832 1.00 0.00 C ATOM 1170 O THR B 9 0.433 -1.380 1.642 1.00 0.00 O ATOM 1171 CB THR B 9 1.337 -4.220 2.103 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.486 -5.040 2.264 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.090 -5.099 1.993 1.00 0.00 C ATOM 0 H THR B 9 2.892 -1.811 1.179 1.00 0.00 H new ATOM 0 HA THR B 9 1.359 -4.010 -0.044 1.00 0.00 H new ATOM 0 HB THR B 9 1.239 -3.561 2.966 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.458 -5.474 3.142 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.014 -5.698 2.897 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.791 -4.468 1.873 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.184 -5.758 1.130 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.516 -2.371 -0.074 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.594 -1.349 -0.140 1.00 0.00 C ATOM 1183 C ALA B 10 -2.519 -1.498 1.068 1.00 0.00 C ATOM 1184 O ALA B 10 -3.574 -2.094 0.979 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.400 -1.551 -1.421 1.00 0.00 C ATOM 0 H ALA B 10 -0.578 -3.109 -0.775 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.151 -0.353 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.192 -0.804 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.743 -1.446 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.841 -2.548 -1.420 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.135 -0.951 2.193 1.00 0.00 N ATOM 1192 CA CYS B 11 -2.988 -1.042 3.419 1.00 0.00 C ATOM 1193 C CYS B 11 -3.579 0.339 3.706 1.00 0.00 C ATOM 1194 O CYS B 11 -2.909 1.346 3.587 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.128 -1.491 4.604 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.223 -2.996 4.160 1.00 0.00 S ATOM 0 H CYS B 11 -1.260 -0.441 2.317 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.790 -1.764 3.266 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.429 -0.701 4.879 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.758 -1.676 5.474 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.829 0.398 4.073 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.457 1.719 4.356 1.00 0.00 C ATOM 1203 C CYS B 12 -4.941 2.255 5.692 1.00 0.00 C ATOM 1204 O CYS B 12 -4.681 1.508 6.613 1.00 0.00 O ATOM 1205 CB CYS B 12 -6.978 1.560 4.423 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.608 1.073 2.797 1.00 0.00 S ATOM 0 H CYS B 12 -5.442 -0.409 4.189 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.200 2.419 3.561 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.243 0.809 5.167 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.438 2.497 4.737 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.799 3.551 5.804 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.307 4.159 7.080 1.00 0.00 C ATOM 1213 C PHE B 13 -5.496 4.763 7.827 1.00 0.00 C ATOM 1214 O PHE B 13 -5.442 5.010 9.016 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.299 5.264 6.759 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.988 6.360 5.984 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.258 6.187 4.614 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.365 7.552 6.632 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.903 7.207 3.890 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -5.011 8.572 5.909 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.281 8.400 4.537 1.00 0.00 C ATOM 0 H PHE B 13 -5.004 4.220 5.062 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.827 3.397 7.695 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.877 5.665 7.680 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.470 4.858 6.178 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.970 5.272 4.118 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.158 7.683 7.684 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.108 7.075 2.838 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.300 9.486 6.406 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.777 9.182 3.982 1.00 0.00 H new ATOM 1231 N SER B 14 -6.574 4.998 7.130 1.00 0.00 N ATOM 1232 CA SER B 14 -7.779 5.583 7.777 1.00 0.00 C ATOM 1233 C SER B 14 -9.010 5.225 6.943 1.00 0.00 C ATOM 1234 O SER B 14 -9.042 4.212 6.272 1.00 0.00 O ATOM 1235 CB SER B 14 -7.635 7.103 7.851 1.00 0.00 C ATOM 1236 OG SER B 14 -7.553 7.632 6.534 1.00 0.00 O ATOM 0 H SER B 14 -6.671 4.808 6.133 1.00 0.00 H new ATOM 0 HA SER B 14 -7.887 5.185 8.786 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.487 7.535 8.376 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.743 7.368 8.418 1.00 0.00 H new ATOM 0 HG SER B 14 -6.676 7.421 6.151 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.027 6.045 6.974 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.253 5.745 6.178 1.00 0.00 C ATOM 1244 C TYR B 15 -11.985 7.050 5.864 1.00 0.00 C ATOM 1245 O TYR B 15 -11.770 8.061 6.504 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.178 4.822 6.983 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.356 3.785 7.711 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.030 2.570 7.076 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.914 4.034 9.024 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.263 1.605 7.757 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.148 3.068 9.705 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.822 1.853 9.071 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.071 0.907 9.738 1.00 0.00 O ATOM 0 H TYR B 15 -10.062 6.909 7.516 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.970 5.251 5.249 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.759 5.406 7.697 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.890 4.334 6.317 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.368 2.379 6.068 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.162 4.966 9.509 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.013 0.674 7.271 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.811 3.259 10.713 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.849 1.238 10.633 1.00 0.00 H new ATOM 1263 N THR B 16 -12.852 7.039 4.888 1.00 0.00 N ATOM 1264 CA THR B 16 -13.595 8.284 4.549 1.00 0.00 C ATOM 1265 C THR B 16 -14.385 8.739 5.782 1.00 0.00 C ATOM 1266 O THR B 16 -14.080 8.356 6.894 1.00 0.00 O ATOM 1267 CB THR B 16 -14.534 8.018 3.363 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.361 9.151 3.140 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.406 6.794 3.643 1.00 0.00 C ATOM 0 H THR B 16 -13.076 6.226 4.314 1.00 0.00 H new ATOM 0 HA THR B 16 -12.900 9.073 4.262 1.00 0.00 H new ATOM 0 HB THR B 16 -13.932 7.829 2.475 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.957 8.977 2.382 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.067 6.616 2.795 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.770 5.922 3.797 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.003 6.970 4.538 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.388 9.559 5.604 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.183 10.047 6.773 1.00 0.00 C ATOM 1279 C ALA B 17 -17.659 10.095 6.395 1.00 0.00 C ATOM 1280 O ALA B 17 -18.492 10.535 7.164 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.723 11.459 7.133 1.00 0.00 C ATOM 0 H ALA B 17 -15.693 9.913 4.697 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.038 9.376 7.620 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.298 11.823 7.985 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.664 11.442 7.390 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.879 12.121 6.281 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.990 9.659 5.211 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.412 9.690 4.761 1.00 0.00 C ATOM 1289 C ARG B 18 -19.719 8.423 3.961 1.00 0.00 C ATOM 1290 O ARG B 18 -18.971 8.033 3.087 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.615 10.921 3.877 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.746 12.173 4.767 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.577 13.461 3.938 1.00 0.00 C ATOM 1294 NE ARG B 18 -18.803 14.468 4.731 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.113 14.735 5.974 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.203 14.254 6.504 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.349 15.530 6.674 1.00 0.00 N ATOM 0 H ARG B 18 -17.332 9.280 4.530 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.079 9.737 5.622 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.774 11.034 3.193 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.509 10.800 3.266 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -20.721 12.176 5.255 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.994 12.143 5.556 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -19.058 13.240 3.005 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -20.554 13.865 3.671 1.00 0.00 H new ATOM 0 HE ARG B 18 -18.020 14.955 4.294 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.823 13.664 5.949 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.436 14.468 7.474 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -17.516 15.939 6.251 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -18.586 15.742 7.643 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.816 7.779 4.248 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.170 6.543 3.499 1.00 0.00 C ATOM 1313 C LYS B 19 -21.391 6.901 2.025 1.00 0.00 C ATOM 1314 O LYS B 19 -22.088 7.841 1.700 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.446 5.932 4.105 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.122 4.990 3.097 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.145 4.104 3.815 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.285 4.957 4.376 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.772 5.901 3.330 1.00 0.00 N ATOM 0 H LYS B 19 -21.482 8.056 4.969 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.364 5.812 3.570 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.198 5.384 5.014 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.137 6.726 4.390 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.615 5.571 2.317 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.372 4.370 2.606 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -24.543 3.362 3.123 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.659 3.557 4.623 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -26.101 4.316 4.709 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.940 5.513 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.753 6.175 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.170 6.749 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.733 5.438 2.399 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.798 6.157 1.134 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.968 6.450 -0.315 1.00 0.00 C ATOM 1335 C LEU B 20 -22.382 6.017 -0.762 1.00 0.00 C ATOM 1336 O LEU B 20 -22.756 4.888 -0.514 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.940 5.641 -1.111 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.556 5.772 -0.474 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.524 5.111 -1.388 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.202 7.253 -0.291 1.00 0.00 C ATOM 0 H LEU B 20 -20.202 5.357 1.348 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.830 7.517 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.236 4.593 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.909 5.993 -2.142 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.557 5.284 0.501 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.533 5.199 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.772 4.057 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.530 5.605 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.215 7.338 0.163 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.199 7.749 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.941 7.726 0.356 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.140 6.882 -1.422 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.483 6.493 -1.884 1.00 0.00 C ATOM 1354 C PRO B 21 -24.381 5.232 -2.744 1.00 0.00 C ATOM 1355 O PRO B 21 -23.446 5.066 -3.502 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.986 7.690 -2.722 1.00 0.00 C ATOM 1357 CG PRO B 21 -23.953 8.841 -2.548 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.753 8.273 -1.759 1.00 0.00 C ATOM 0 HA PRO B 21 -25.163 6.270 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.079 7.412 -3.772 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.974 8.006 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.630 9.216 -3.519 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.400 9.680 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.842 8.295 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.559 8.858 -0.860 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.336 4.353 -2.652 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.285 3.125 -3.490 1.00 0.00 C ATOM 1368 C ARG B 22 -25.048 3.553 -4.945 1.00 0.00 C ATOM 1369 O ARG B 22 -24.368 2.888 -5.702 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.621 2.360 -3.354 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.371 0.840 -3.346 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.777 0.380 -4.695 1.00 0.00 C ATOM 1373 NE ARG B 22 -26.427 -0.898 -5.127 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.587 -1.897 -4.297 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -26.064 -1.856 -3.102 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -27.240 -2.959 -4.680 1.00 0.00 N ATOM 0 H ARG B 22 -26.146 4.430 -2.037 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.479 2.465 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -27.125 2.657 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.283 2.622 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.689 0.582 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -27.306 0.313 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -25.930 1.150 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -24.701 0.237 -4.599 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.752 -0.992 -6.089 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -25.526 -1.041 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -26.194 -2.639 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.624 -3.009 -5.624 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -27.367 -3.740 -4.036 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.602 4.675 -5.326 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.415 5.172 -6.718 1.00 0.00 C ATOM 1392 C ASN B 23 -23.998 5.727 -6.883 1.00 0.00 C ATOM 1393 O ASN B 23 -23.721 6.474 -7.800 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.432 6.280 -7.002 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.295 6.736 -8.456 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -25.592 6.121 -9.234 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.942 7.796 -8.858 1.00 0.00 N ATOM 0 H ASN B 23 -26.178 5.269 -4.729 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.563 4.350 -7.418 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.443 5.917 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.267 7.121 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -26.858 8.109 -9.825 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.532 8.312 -8.205 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.098 5.375 -5.999 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.693 5.890 -6.099 1.00 0.00 C ATOM 1406 C PHE B 24 -20.725 4.754 -5.762 1.00 0.00 C ATOM 1407 O PHE B 24 -19.639 4.973 -5.265 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.513 7.051 -5.101 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.345 7.933 -5.507 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.357 8.597 -6.753 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.249 8.101 -4.635 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.277 9.421 -7.121 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.171 8.926 -5.007 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.185 9.585 -6.250 1.00 0.00 C ATOM 0 H PHE B 24 -23.274 4.752 -5.210 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.491 6.249 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.426 7.645 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.344 6.654 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.195 8.473 -7.423 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.237 7.596 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.287 9.928 -8.074 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.333 9.053 -4.338 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.357 10.217 -6.535 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.118 3.537 -6.039 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.238 2.367 -5.748 1.00 0.00 C ATOM 1426 C VAL B 25 -20.517 1.272 -6.781 1.00 0.00 C ATOM 1427 O VAL B 25 -21.364 0.424 -6.588 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.541 1.836 -4.344 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.576 0.701 -4.004 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.371 2.963 -3.322 1.00 0.00 C ATOM 0 H VAL B 25 -22.018 3.303 -6.458 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.191 2.667 -5.799 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.566 1.465 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.794 0.325 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.693 -0.105 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.552 1.072 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.587 2.584 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.346 3.333 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.058 3.775 -3.558 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.818 1.295 -7.884 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.046 0.268 -8.939 1.00 0.00 C ATOM 1442 C VAL B 26 -19.250 -0.993 -8.620 1.00 0.00 C ATOM 1443 O VAL B 26 -19.445 -2.030 -9.224 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.593 0.827 -10.288 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.506 1.983 -10.693 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.151 1.332 -10.178 1.00 0.00 C ATOM 0 H VAL B 26 -19.097 1.983 -8.100 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.106 0.019 -8.977 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.645 0.040 -11.040 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.183 2.382 -11.655 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.532 1.625 -10.775 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.455 2.768 -9.939 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.830 1.730 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.097 2.118 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.498 0.508 -9.890 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.351 -0.921 -7.681 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.549 -2.126 -7.341 1.00 0.00 C ATOM 1458 C ASP B 27 -16.755 -1.860 -6.068 1.00 0.00 C ATOM 1459 O ASP B 27 -16.922 -0.847 -5.420 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.584 -2.435 -8.489 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.009 -3.841 -8.311 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.731 -4.698 -7.827 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.857 -4.038 -8.660 1.00 0.00 O ATOM 0 H ASP B 27 -18.138 -0.085 -7.137 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.213 -2.976 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.104 -2.362 -9.444 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.778 -1.701 -8.508 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.886 -2.761 -5.704 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.079 -2.552 -4.472 1.00 0.00 C ATOM 1470 C TYR B 28 -13.789 -3.362 -4.557 1.00 0.00 C ATOM 1471 O TYR B 28 -13.491 -3.988 -5.555 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.884 -2.969 -3.234 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.980 -4.480 -3.137 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.645 -5.213 -4.141 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.414 -5.153 -2.036 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.742 -6.614 -4.042 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.511 -6.551 -1.936 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.175 -7.284 -2.939 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.270 -8.658 -2.843 1.00 0.00 O ATOM 0 H TYR B 28 -15.701 -3.630 -6.205 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.831 -1.494 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.410 -2.572 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.884 -2.539 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.080 -4.700 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.904 -4.592 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.251 -7.176 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.077 -7.064 -1.090 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.206 -8.929 -2.947 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.021 -3.337 -3.514 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.736 -4.078 -3.503 1.00 0.00 C ATOM 1491 C TYR B 29 -11.288 -4.241 -2.045 1.00 0.00 C ATOM 1492 O TYR B 29 -11.443 -3.347 -1.245 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.712 -3.266 -4.315 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.302 -3.678 -3.968 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.813 -4.924 -4.394 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.481 -2.815 -3.218 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.498 -5.312 -4.069 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.166 -3.200 -2.894 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.675 -4.450 -3.319 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.386 -4.828 -3.001 1.00 0.00 O ATOM 0 H TYR B 29 -13.230 -2.828 -2.655 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.834 -5.068 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.887 -3.414 -5.381 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.844 -2.203 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.444 -5.584 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.860 -1.858 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.121 -6.270 -4.395 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.535 -2.538 -2.320 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.956 -4.117 -2.481 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.741 -5.375 -1.686 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.294 -5.577 -0.269 1.00 0.00 C ATOM 1512 C GLU B 30 -8.787 -5.321 -0.163 1.00 0.00 C ATOM 1513 O GLU B 30 -8.058 -5.423 -1.131 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.603 -7.012 0.163 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.099 -7.154 0.452 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.424 -8.619 0.756 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.522 -9.334 1.159 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.570 -8.999 0.580 1.00 0.00 O ATOM 0 H GLU B 30 -10.584 -6.168 -2.308 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.824 -4.880 0.381 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.307 -7.709 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.026 -7.267 1.052 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.378 -6.526 1.298 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.680 -6.812 -0.405 1.00 0.00 H new ATOM 1525 N THR B 31 -8.321 -4.979 1.007 1.00 0.00 N ATOM 1526 CA THR B 31 -6.863 -4.701 1.191 1.00 0.00 C ATOM 1527 C THR B 31 -6.064 -6.004 1.173 1.00 0.00 C ATOM 1528 O THR B 31 -6.544 -7.041 0.761 1.00 0.00 O ATOM 1529 CB THR B 31 -6.656 -4.012 2.539 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.323 -4.758 3.542 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.220 -2.592 2.477 1.00 0.00 C ATOM 0 H THR B 31 -8.888 -4.879 1.849 1.00 0.00 H new ATOM 0 HA THR B 31 -6.519 -4.062 0.378 1.00 0.00 H new ATOM 0 HB THR B 31 -5.593 -3.959 2.773 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.381 -5.697 3.267 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.073 -2.100 3.438 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.705 -2.029 1.699 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.285 -2.633 2.250 1.00 0.00 H new ATOM 1539 N SER B 32 -4.840 -5.949 1.627 1.00 0.00 N ATOM 1540 CA SER B 32 -3.981 -7.164 1.654 1.00 0.00 C ATOM 1541 C SER B 32 -4.205 -7.924 2.960 1.00 0.00 C ATOM 1542 O SER B 32 -5.307 -8.012 3.465 1.00 0.00 O ATOM 1543 CB SER B 32 -2.517 -6.739 1.572 1.00 0.00 C ATOM 1544 OG SER B 32 -2.337 -5.886 0.450 1.00 0.00 O ATOM 0 H SER B 32 -4.396 -5.103 1.984 1.00 0.00 H new ATOM 0 HA SER B 32 -4.234 -7.807 0.811 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.225 -6.223 2.486 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.876 -7.616 1.483 1.00 0.00 H new ATOM 0 HG SER B 32 -1.577 -6.201 -0.082 1.00 0.00 H new ATOM 1550 N SER B 33 -3.157 -8.475 3.506 1.00 0.00 N ATOM 1551 CA SER B 33 -3.273 -9.240 4.783 1.00 0.00 C ATOM 1552 C SER B 33 -2.010 -9.014 5.609 1.00 0.00 C ATOM 1553 O SER B 33 -2.051 -8.931 6.821 1.00 0.00 O ATOM 1554 CB SER B 33 -3.397 -10.725 4.464 1.00 0.00 C ATOM 1555 OG SER B 33 -2.104 -11.260 4.209 1.00 0.00 O ATOM 0 H SER B 33 -2.214 -8.428 3.119 1.00 0.00 H new ATOM 0 HA SER B 33 -4.149 -8.906 5.339 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.863 -11.250 5.298 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.041 -10.870 3.596 1.00 0.00 H new ATOM 0 HG SER B 33 -2.180 -12.216 4.005 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.888 -8.922 4.947 1.00 0.00 N ATOM 1562 CA LEU B 34 0.410 -8.707 5.654 1.00 0.00 C ATOM 1563 C LEU B 34 0.231 -7.706 6.796 1.00 0.00 C ATOM 1564 O LEU B 34 0.525 -7.990 7.940 1.00 0.00 O ATOM 1565 CB LEU B 34 1.442 -8.151 4.668 1.00 0.00 C ATOM 1566 CG LEU B 34 1.365 -8.908 3.342 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.514 -8.459 2.437 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.472 -10.414 3.601 1.00 0.00 C ATOM 0 H LEU B 34 -0.814 -8.988 3.932 1.00 0.00 H new ATOM 0 HA LEU B 34 0.751 -9.660 6.058 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.261 -7.089 4.500 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.443 -8.241 5.089 1.00 0.00 H new ATOM 0 HG LEU B 34 0.413 -8.695 2.856 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.463 -8.997 1.490 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.434 -7.388 2.251 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.465 -8.672 2.924 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.417 -10.951 2.654 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.423 -10.633 4.087 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.653 -10.731 4.246 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.245 -6.534 6.490 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.438 -5.513 7.554 1.00 0.00 C ATOM 1582 C CYS B 35 -1.590 -5.947 8.467 1.00 0.00 C ATOM 1583 O CYS B 35 -2.654 -6.308 8.014 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.751 -4.154 6.915 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.851 -4.379 5.495 1.00 0.00 S ATOM 0 H CYS B 35 -0.509 -6.239 5.550 1.00 0.00 H new ATOM 0 HA CYS B 35 0.473 -5.421 8.145 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.219 -3.497 7.648 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.173 -3.670 6.597 1.00 0.00 H new ATOM 1590 N SER B 36 -1.367 -5.941 9.751 1.00 0.00 N ATOM 1591 CA SER B 36 -2.431 -6.366 10.707 1.00 0.00 C ATOM 1592 C SER B 36 -3.617 -5.390 10.694 1.00 0.00 C ATOM 1593 O SER B 36 -4.261 -5.194 11.705 1.00 0.00 O ATOM 1594 CB SER B 36 -1.842 -6.422 12.116 1.00 0.00 C ATOM 1595 OG SER B 36 -0.746 -7.328 12.132 1.00 0.00 O ATOM 0 H SER B 36 -0.488 -5.658 10.184 1.00 0.00 H new ATOM 0 HA SER B 36 -2.794 -7.348 10.404 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.513 -5.430 12.425 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.603 -6.741 12.828 1.00 0.00 H new ATOM 0 HG SER B 36 -0.365 -7.365 13.034 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.925 -4.766 9.581 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.079 -3.813 9.577 1.00 0.00 C ATOM 1603 C GLN B 37 -5.687 -3.683 8.170 1.00 0.00 C ATOM 1604 O GLN B 37 -5.645 -2.619 7.590 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.596 -2.436 10.047 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.295 -2.069 9.327 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.829 -0.687 9.789 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.971 -0.340 10.944 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.274 0.121 8.928 1.00 0.00 N ATOM 0 H GLN B 37 -3.437 -4.872 8.691 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.846 -4.197 10.249 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.359 -1.684 9.845 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.436 -2.445 11.125 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.527 -2.813 9.539 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.451 -2.070 8.248 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -2.155 -0.171 7.958 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.959 1.045 9.225 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.259 -4.757 7.667 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.902 -4.737 6.337 1.00 0.00 C ATOM 1620 C PRO B 38 -8.158 -3.854 6.401 1.00 0.00 C ATOM 1621 O PRO B 38 -8.517 -3.340 7.441 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.271 -6.212 6.054 1.00 0.00 C ATOM 1623 CG PRO B 38 -6.994 -7.019 7.357 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.309 -6.062 8.361 1.00 0.00 C ATOM 0 HA PRO B 38 -6.261 -4.332 5.554 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.319 -6.297 5.765 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.679 -6.604 5.227 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.924 -7.408 7.772 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.355 -7.877 7.148 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.874 -5.994 9.291 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.309 -6.410 8.620 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.825 -3.685 5.298 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.056 -2.856 5.273 1.00 0.00 C ATOM 1634 C ALA B 39 -10.747 -3.070 3.931 1.00 0.00 C ATOM 1635 O ALA B 39 -10.169 -3.624 3.016 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.687 -1.379 5.430 1.00 0.00 C ATOM 0 H ALA B 39 -8.565 -4.092 4.400 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.719 -3.142 6.090 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.593 -0.774 5.411 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.172 -1.232 6.379 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.033 -1.078 4.612 1.00 0.00 H new ATOM 1642 N VAL B 40 -11.965 -2.624 3.785 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.668 -2.791 2.477 1.00 0.00 C ATOM 1644 C VAL B 40 -12.501 -1.492 1.694 1.00 0.00 C ATOM 1645 O VAL B 40 -12.463 -0.417 2.258 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.156 -3.083 2.712 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.943 -2.852 1.418 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.319 -4.543 3.138 1.00 0.00 C ATOM 0 H VAL B 40 -12.504 -2.152 4.511 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.246 -3.627 1.919 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.534 -2.420 3.490 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -15.999 -3.061 1.592 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.826 -1.816 1.101 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.565 -3.515 0.639 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.374 -4.757 3.307 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.937 -5.196 2.353 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.762 -4.718 4.058 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.376 -1.594 0.400 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.179 -0.381 -0.455 1.00 0.00 C ATOM 1660 C VAL B 41 -13.313 -0.279 -1.477 1.00 0.00 C ATOM 1661 O VAL B 41 -13.500 -1.151 -2.297 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.834 -0.517 -1.169 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.380 0.835 -1.705 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.792 -1.035 -0.173 1.00 0.00 C ATOM 0 H VAL B 41 -12.402 -2.476 -0.111 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.187 0.521 0.156 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.941 -1.212 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.421 0.722 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.120 1.214 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.274 1.537 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.829 -1.135 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.699 -0.332 0.655 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.105 -2.007 0.209 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.083 0.777 -1.432 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.213 0.921 -2.401 1.00 0.00 C ATOM 1676 C PHE B 42 -14.753 1.685 -3.645 1.00 0.00 C ATOM 1677 O PHE B 42 -14.115 2.715 -3.559 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.362 1.695 -1.740 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.098 0.798 -0.765 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.786 -0.339 -1.235 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.106 1.107 0.610 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.476 -1.167 -0.331 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.800 0.279 1.514 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.484 -0.859 1.043 1.00 0.00 C ATOM 0 H PHE B 42 -13.980 1.545 -0.768 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.550 -0.074 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.970 2.569 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.051 2.060 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.783 -0.574 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.580 1.979 0.971 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.000 -2.040 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.808 0.516 2.568 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.015 -1.495 1.736 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.103 1.191 -4.804 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.731 1.879 -6.075 1.00 0.00 C ATOM 1696 C GLN B 43 -15.943 2.707 -6.515 1.00 0.00 C ATOM 1697 O GLN B 43 -17.034 2.179 -6.652 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.396 0.818 -7.127 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.185 0.000 -6.665 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.097 -1.292 -7.481 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.780 -2.254 -7.190 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.281 -1.353 -8.497 1.00 0.00 N ATOM 0 H GLN B 43 -15.637 0.330 -4.925 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.864 2.527 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.253 0.162 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.182 1.295 -8.084 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.272 0.582 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.274 -0.233 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -11.708 -0.545 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.216 -2.209 -9.048 1.00 0.00 H new ATOM 1711 N THR B 44 -15.793 4.008 -6.689 1.00 0.00 N ATOM 1712 CA THR B 44 -16.989 4.849 -7.056 1.00 0.00 C ATOM 1713 C THR B 44 -17.059 5.135 -8.556 1.00 0.00 C ATOM 1714 O THR B 44 -16.481 4.445 -9.372 1.00 0.00 O ATOM 1715 CB THR B 44 -16.914 6.186 -6.324 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.059 7.061 -7.040 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.363 5.968 -4.913 1.00 0.00 C ATOM 0 H THR B 44 -14.913 4.515 -6.595 1.00 0.00 H new ATOM 0 HA THR B 44 -17.877 4.286 -6.768 1.00 0.00 H new ATOM 0 HB THR B 44 -17.910 6.623 -6.256 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.368 7.984 -6.928 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.310 6.924 -4.391 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.020 5.292 -4.366 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.366 5.533 -4.975 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.796 6.165 -8.907 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.966 6.554 -10.340 1.00 0.00 C ATOM 1727 C LYS B 45 -17.207 7.854 -10.623 1.00 0.00 C ATOM 1728 O LYS B 45 -16.854 8.136 -11.751 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.449 6.803 -10.620 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.277 5.620 -10.123 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.765 5.922 -10.326 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.562 4.620 -10.285 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.425 3.994 -8.940 1.00 0.00 N ATOM 0 H LYS B 45 -18.294 6.761 -8.246 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.582 5.752 -10.971 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.773 7.718 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.607 6.946 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.001 4.715 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.072 5.436 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.118 6.601 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.918 6.424 -11.282 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -23.612 4.817 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.202 3.937 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -21.997 3.051 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -21.818 4.589 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.364 3.904 -8.502 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.970 8.659 -9.610 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.251 9.959 -9.821 1.00 0.00 C ATOM 1749 C ARG B 46 -15.119 10.061 -8.793 1.00 0.00 C ATOM 1750 O ARG B 46 -15.004 11.016 -8.054 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.249 11.123 -9.640 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.772 12.384 -10.389 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.592 13.039 -9.666 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.385 14.412 -10.208 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.641 15.265 -9.559 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.077 14.916 -8.435 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.461 16.466 -10.035 1.00 0.00 N ATOM 0 H ARG B 46 -17.244 8.471 -8.646 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.832 10.009 -10.826 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.230 10.826 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.363 11.347 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.479 12.119 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.594 13.096 -10.470 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.786 13.084 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.690 12.442 -9.802 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.825 14.685 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.218 13.976 -8.064 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.495 15.583 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -14.902 16.738 -10.914 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -13.880 17.134 -9.528 1.00 0.00 H new ATOM 1771 N SER B 47 -14.281 9.072 -8.749 1.00 0.00 N ATOM 1772 CA SER B 47 -13.143 9.083 -7.804 1.00 0.00 C ATOM 1773 C SER B 47 -12.224 7.931 -8.184 1.00 0.00 C ATOM 1774 O SER B 47 -11.735 7.854 -9.293 1.00 0.00 O ATOM 1775 CB SER B 47 -13.635 8.934 -6.357 1.00 0.00 C ATOM 1776 OG SER B 47 -14.035 7.593 -6.118 1.00 0.00 O ATOM 0 H SER B 47 -14.339 8.242 -9.339 1.00 0.00 H new ATOM 0 HA SER B 47 -12.608 10.031 -7.863 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.843 9.215 -5.664 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.471 9.610 -6.177 1.00 0.00 H new ATOM 0 HG SER B 47 -14.891 7.423 -6.564 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.005 7.027 -7.291 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.143 5.868 -7.606 1.00 0.00 C ATOM 1784 C LYS B 48 -11.421 4.782 -6.580 1.00 0.00 C ATOM 1785 O LYS B 48 -12.264 3.928 -6.772 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.671 6.281 -7.546 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.791 5.052 -7.783 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.353 5.497 -8.052 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.491 4.273 -8.369 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.183 4.717 -8.927 1.00 0.00 N ATOM 0 H LYS B 48 -12.388 7.038 -6.346 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.355 5.501 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.464 7.042 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.445 6.723 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.823 4.396 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.170 4.478 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.328 6.198 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.954 6.021 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.332 3.683 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.004 3.629 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -4.597 3.885 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.344 5.262 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -4.693 5.314 -8.231 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.717 4.829 -5.480 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.905 3.823 -4.398 1.00 0.00 C ATOM 1806 C GLN B 49 -11.063 4.560 -3.060 1.00 0.00 C ATOM 1807 O GLN B 49 -10.437 5.577 -2.820 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.657 2.917 -4.366 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.890 1.659 -5.213 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.641 0.776 -5.172 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.687 -0.342 -4.700 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.518 1.236 -5.651 1.00 0.00 N ATOM 0 H GLN B 49 -10.008 5.535 -5.284 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.793 3.217 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.793 3.463 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.431 2.635 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.751 1.107 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.117 1.938 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.479 2.175 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.679 0.657 -5.629 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.894 4.050 -2.186 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.103 4.704 -0.855 1.00 0.00 C ATOM 1823 C VAL B 50 -12.107 3.631 0.228 1.00 0.00 C ATOM 1824 O VAL B 50 -12.870 2.690 0.173 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.443 5.443 -0.846 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.540 6.304 0.415 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.545 6.336 -2.089 1.00 0.00 C ATOM 0 H VAL B 50 -12.441 3.203 -2.337 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.301 5.418 -0.668 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.258 4.719 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.494 6.831 0.423 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.470 5.667 1.297 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.725 7.028 0.425 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.500 6.862 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.731 7.061 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.477 5.720 -2.986 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.262 3.765 1.213 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.212 2.746 2.295 1.00 0.00 C ATOM 1839 C CYS B 51 -12.443 2.887 3.189 1.00 0.00 C ATOM 1840 O CYS B 51 -13.022 3.949 3.303 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.949 2.964 3.129 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.488 2.746 2.083 1.00 0.00 S ATOM 0 H CYS B 51 -10.604 4.538 1.314 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.198 1.748 1.858 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.954 3.965 3.561 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.923 2.259 3.960 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.854 1.817 3.817 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.058 1.877 4.702 1.00 0.00 C ATOM 1849 C ALA B 52 -13.856 0.955 5.908 1.00 0.00 C ATOM 1850 O ALA B 52 -13.376 -0.155 5.782 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.287 1.417 3.915 1.00 0.00 C ATOM 0 H ALA B 52 -12.408 0.902 3.756 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.203 2.900 5.048 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.167 1.459 4.557 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.434 2.070 3.055 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.137 0.393 3.572 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.221 1.411 7.077 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.056 0.571 8.300 1.00 0.00 C ATOM 1859 C ASP B 53 -15.040 -0.624 8.244 1.00 0.00 C ATOM 1860 O ASP B 53 -16.234 -0.399 8.249 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.384 1.420 9.532 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.704 2.785 9.412 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.893 3.432 8.396 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.008 3.161 10.340 1.00 0.00 O ATOM 0 H ASP B 53 -14.628 2.332 7.238 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.032 0.202 8.355 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.463 1.547 9.622 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.046 0.913 10.436 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.555 -1.860 8.195 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.467 -3.022 8.144 1.00 0.00 C ATOM 1871 C PRO B 54 -16.322 -3.078 9.419 1.00 0.00 C ATOM 1872 O PRO B 54 -17.236 -3.871 9.531 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.544 -4.257 8.043 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.073 -3.750 8.083 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.114 -2.208 8.182 1.00 0.00 C ATOM 0 HA PRO B 54 -16.159 -2.970 7.303 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.734 -4.945 8.866 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.736 -4.804 7.120 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.544 -4.175 8.936 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.536 -4.062 7.188 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.616 -1.858 9.086 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.604 -1.745 7.337 1.00 0.00 H new ATOM 1883 N SER B 55 -16.021 -2.255 10.381 1.00 0.00 N ATOM 1884 CA SER B 55 -16.804 -2.274 11.649 1.00 0.00 C ATOM 1885 C SER B 55 -18.153 -1.585 11.437 1.00 0.00 C ATOM 1886 O SER B 55 -19.079 -1.770 12.202 1.00 0.00 O ATOM 1887 CB SER B 55 -16.024 -1.539 12.740 1.00 0.00 C ATOM 1888 OG SER B 55 -15.805 -0.195 12.335 1.00 0.00 O ATOM 0 H SER B 55 -15.267 -1.569 10.346 1.00 0.00 H new ATOM 0 HA SER B 55 -16.972 -3.308 11.951 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.578 -1.563 13.678 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.071 -2.037 12.920 1.00 0.00 H new ATOM 0 HG SER B 55 -15.307 0.280 13.033 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.279 -0.796 10.405 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.577 -0.105 10.152 1.00 0.00 C ATOM 1896 C GLU B 56 -20.530 -1.070 9.438 1.00 0.00 C ATOM 1897 O GLU B 56 -20.267 -1.541 8.349 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.341 1.131 9.287 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.768 2.262 10.146 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.272 3.390 9.241 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -18.197 3.174 8.043 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -17.975 4.454 9.762 1.00 0.00 O ATOM 0 H GLU B 56 -17.542 -0.600 9.728 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.019 0.206 11.099 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.653 0.893 8.476 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.277 1.449 8.828 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.531 2.637 10.828 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -17.949 1.887 10.760 1.00 0.00 H new ATOM 1909 N SER B 57 -21.629 -1.373 10.065 1.00 0.00 N ATOM 1910 CA SER B 57 -22.617 -2.317 9.471 1.00 0.00 C ATOM 1911 C SER B 57 -22.963 -1.936 8.029 1.00 0.00 C ATOM 1912 O SER B 57 -23.153 -2.794 7.189 1.00 0.00 O ATOM 1913 CB SER B 57 -23.893 -2.303 10.313 1.00 0.00 C ATOM 1914 OG SER B 57 -24.847 -3.183 9.734 1.00 0.00 O ATOM 0 H SER B 57 -21.890 -1.002 10.978 1.00 0.00 H new ATOM 0 HA SER B 57 -22.173 -3.312 9.463 1.00 0.00 H new ATOM 0 HB2 SER B 57 -23.671 -2.610 11.335 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.298 -1.292 10.364 1.00 0.00 H new ATOM 0 HG SER B 57 -25.666 -3.178 10.272 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.073 -0.670 7.725 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.437 -0.291 6.331 1.00 0.00 C ATOM 1922 C TRP B 58 -22.368 -0.795 5.366 1.00 0.00 C ATOM 1923 O TRP B 58 -22.649 -1.126 4.233 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.632 1.230 6.216 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.327 1.959 6.107 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.761 2.678 7.104 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.441 2.092 4.954 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.584 3.239 6.641 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.336 2.905 5.328 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.478 1.589 3.632 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.308 3.209 4.424 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.445 1.892 2.719 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.362 2.700 3.117 1.00 0.00 C ATOM 0 H TRP B 58 -22.929 0.106 8.371 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.385 -0.760 6.066 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.245 1.451 5.342 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.177 1.592 7.088 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.163 2.795 8.100 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -19.973 3.830 7.205 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.304 0.968 3.319 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.480 3.831 4.731 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.485 1.503 1.712 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.573 2.928 2.416 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.149 -0.885 5.810 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.080 -1.392 4.913 1.00 0.00 C ATOM 1946 C VAL B 59 -20.359 -2.859 4.612 1.00 0.00 C ATOM 1947 O VAL B 59 -20.290 -3.297 3.482 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.728 -1.246 5.609 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.623 -1.833 4.729 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.465 0.241 5.847 1.00 0.00 C ATOM 0 H VAL B 59 -20.848 -0.631 6.751 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.060 -0.824 3.983 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.738 -1.781 6.558 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.662 -1.725 5.232 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.823 -2.890 4.550 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.596 -1.303 3.777 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.503 0.365 6.344 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.451 0.765 4.892 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.254 0.654 6.476 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.697 -3.620 5.612 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.005 -5.056 5.374 1.00 0.00 C ATOM 1962 C GLN B 60 -22.257 -5.163 4.499 1.00 0.00 C ATOM 1963 O GLN B 60 -22.367 -6.029 3.655 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.253 -5.756 6.712 1.00 0.00 C ATOM 1965 CG GLN B 60 -19.973 -5.727 7.549 1.00 0.00 C ATOM 1966 CD GLN B 60 -18.969 -6.733 6.983 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -18.075 -6.368 6.245 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.078 -7.994 7.301 1.00 0.00 N ATOM 0 H GLN B 60 -20.773 -3.312 6.581 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.164 -5.533 4.870 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.062 -5.261 7.249 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.566 -6.786 6.543 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.544 -4.725 7.541 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.200 -5.969 8.587 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.828 -8.301 7.920 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -18.413 -8.673 6.930 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.201 -4.284 4.700 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.453 -4.324 3.889 1.00 0.00 C ATOM 1979 C GLU B 61 -24.135 -4.032 2.420 1.00 0.00 C ATOM 1980 O GLU B 61 -24.527 -4.765 1.534 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.434 -3.274 4.416 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.821 -3.527 3.824 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.734 -2.339 4.133 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.436 -1.251 3.667 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.716 -2.537 4.830 1.00 0.00 O ATOM 0 H GLU B 61 -23.159 -3.537 5.393 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.898 -5.316 3.968 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.478 -3.317 5.504 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.090 -2.274 4.150 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.747 -3.671 2.746 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.244 -4.442 4.240 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.431 -2.968 2.155 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.091 -2.630 0.742 1.00 0.00 C ATOM 1994 C TYR B 62 -22.252 -3.759 0.137 1.00 0.00 C ATOM 1995 O TYR B 62 -22.388 -4.092 -1.023 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.292 -1.315 0.700 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.224 -0.117 0.767 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.176 -0.004 1.802 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.133 0.896 -0.213 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.030 1.117 1.856 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.987 2.013 -0.156 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.935 2.123 0.876 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.771 3.219 0.930 1.00 0.00 O ATOM 0 H TYR B 62 -23.075 -2.316 2.855 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.010 -2.510 0.168 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.591 -1.283 1.534 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.701 -1.272 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.251 -0.776 2.553 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.406 0.813 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.757 1.204 2.650 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.914 2.787 -0.906 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.574 3.818 0.180 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.394 -4.360 0.915 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.563 -5.470 0.384 1.00 0.00 C ATOM 2015 C VAL B 63 -21.484 -6.633 0.042 1.00 0.00 C ATOM 2016 O VAL B 63 -21.309 -7.315 -0.946 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.552 -5.900 1.451 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.875 -7.211 1.034 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.490 -4.809 1.612 1.00 0.00 C ATOM 0 H VAL B 63 -21.235 -4.128 1.895 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.021 -5.151 -0.507 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.072 -6.052 2.397 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.158 -7.509 1.799 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.629 -7.990 0.920 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.356 -7.067 0.086 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.769 -5.112 2.371 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.976 -4.659 0.663 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.968 -3.878 1.917 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.469 -6.854 0.860 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.413 -7.965 0.599 1.00 0.00 C ATOM 2031 C TYR B 64 -24.146 -7.698 -0.713 1.00 0.00 C ATOM 2032 O TYR B 64 -24.329 -8.576 -1.530 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.425 -8.048 1.748 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.085 -9.409 1.755 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.352 -10.542 2.159 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.429 -9.545 1.358 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.965 -11.810 2.168 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.041 -10.813 1.366 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.309 -11.946 1.771 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.909 -13.189 1.778 1.00 0.00 O ATOM 0 H TYR B 64 -22.660 -6.310 1.701 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.869 -8.907 0.528 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.923 -7.873 2.700 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.179 -7.269 1.637 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.320 -10.438 2.462 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.991 -8.676 1.047 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.404 -12.679 2.480 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.072 -10.917 1.062 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.838 -13.106 1.477 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.562 -6.482 -0.914 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.290 -6.133 -2.167 1.00 0.00 C ATOM 2052 C ASP B 65 -24.374 -6.368 -3.371 1.00 0.00 C ATOM 2053 O ASP B 65 -24.813 -6.765 -4.432 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.703 -4.658 -2.112 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.954 -4.502 -1.245 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.927 -5.189 -1.515 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.919 -3.701 -0.326 1.00 0.00 O ATOM 0 H ASP B 65 -24.429 -5.709 -0.262 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.178 -6.757 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.890 -4.058 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.898 -4.288 -3.118 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.106 -6.124 -3.212 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.154 -6.329 -4.338 1.00 0.00 C ATOM 2064 C LEU B 66 -21.972 -7.830 -4.582 1.00 0.00 C ATOM 2065 O LEU B 66 -21.723 -8.265 -5.688 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.808 -5.691 -3.970 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.853 -4.168 -4.220 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.776 -3.474 -3.380 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.587 -3.861 -5.702 1.00 0.00 C ATOM 0 H LEU B 66 -22.684 -5.789 -2.346 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.541 -5.866 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.578 -5.888 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.010 -6.140 -4.562 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.842 -3.804 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.811 -2.399 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.955 -3.672 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.794 -3.857 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.622 -2.783 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.603 -4.238 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.347 -4.344 -6.316 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.103 -8.621 -3.557 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.947 -10.094 -3.727 1.00 0.00 C ATOM 2083 C GLU B 67 -23.172 -10.647 -4.454 1.00 0.00 C ATOM 2084 O GLU B 67 -23.093 -11.619 -5.177 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.837 -10.754 -2.351 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.534 -10.319 -1.675 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.359 -11.114 -2.251 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.245 -12.285 -1.925 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.594 -10.540 -3.008 1.00 0.00 O ATOM 0 H GLU B 67 -22.312 -8.313 -2.607 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.048 -10.304 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.690 -10.474 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.860 -11.839 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.373 -9.252 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.601 -10.480 -0.599 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.305 -10.028 -4.269 1.00 0.00 N ATOM 2097 CA LEU B 68 -25.539 -10.512 -4.951 1.00 0.00 C ATOM 2098 C LEU B 68 -25.517 -10.070 -6.417 1.00 0.00 C ATOM 2099 O LEU B 68 -24.980 -10.748 -7.270 1.00 0.00 O ATOM 2100 CB LEU B 68 -26.771 -9.927 -4.265 1.00 0.00 C ATOM 2101 CG LEU B 68 -26.836 -10.400 -2.810 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -28.046 -9.756 -2.145 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -26.967 -11.935 -2.744 1.00 0.00 C ATOM 0 H LEU B 68 -24.430 -9.208 -3.675 1.00 0.00 H new ATOM 0 HA LEU B 68 -25.577 -11.600 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -26.734 -8.838 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -27.672 -10.233 -4.796 1.00 0.00 H new ATOM 0 HG LEU B 68 -25.920 -10.111 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -28.107 -10.083 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -27.945 -8.671 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -28.952 -10.053 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -27.012 -12.252 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -27.878 -12.245 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -26.104 -12.395 -3.226 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.098 -8.938 -6.717 1.00 0.00 N ATOM 2116 CA ASN B 69 -26.112 -8.451 -8.128 1.00 0.00 C ATOM 2117 C ASN B 69 -24.865 -7.605 -8.388 1.00 0.00 C ATOM 2118 O ASN B 69 -24.877 -6.842 -9.341 1.00 0.00 O ATOM 2119 CB ASN B 69 -27.361 -7.597 -8.356 1.00 0.00 C ATOM 2120 CG ASN B 69 -27.472 -6.547 -7.250 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -26.597 -5.719 -7.092 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -28.519 -6.546 -6.472 1.00 0.00 N ATOM 2123 OXT ASN B 69 -23.917 -7.733 -7.630 1.00 0.00 O ATOM 0 H ASN B 69 -26.564 -8.329 -6.045 1.00 0.00 H new ATOM 0 HA ASN B 69 -26.121 -9.303 -8.808 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -27.308 -7.110 -9.330 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -28.250 -8.228 -8.363 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -28.603 -5.850 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -29.254 -7.241 -6.605 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.182 1.563 5.552 1.00 0.00 O HETATM 2134 O HOH A 202 4.118 5.659 6.316 1.00 0.00 O HETATM 2137 O HOH B 301 -6.308 -1.426 5.558 1.00 0.00 O HETATM 2140 O HOH B 302 -4.241 -5.514 6.384 1.00 0.00 O