USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Set 1.1: A 102 ASN : amide:sc= 1.48 K(o=2.1,f=-0.85!) USER MOD Set 1.2: A 103 THR OG1 : rot 65:sc= 0.654 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0326 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0883 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.71) USER MOD Single : A 11 GLN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.185 K(o=-0.18,f=-3.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.83) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 62:sc= 0.418 USER MOD Single : A 38 CYS SG : rot 93:sc= -0.438 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 1.63 (180deg=1.17) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.13) USER MOD Single : A 60 TYR OH : rot 80:sc= -0.184 USER MOD Single : A 66 SER OG : rot 180:sc= 0.181 USER MOD Single : A 69 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.36) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.459 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 97:sc= -1.05 USER MOD Single : A 85 MET CE :methyl -159:sc= -0.0227 (180deg=-0.0986) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.136 K(o=0.14,f=-4.2!) USER MOD Single : A 109 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.595 -6.909 -11.035 1.00 0.00 N ATOM 2 CA GLY A 1 -20.290 -6.225 -11.178 1.00 0.00 C ATOM 3 C GLY A 1 -19.149 -7.074 -10.672 1.00 0.00 C ATOM 4 O GLY A 1 -19.326 -7.879 -9.759 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.963 -7.155 -11.976 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.473 -7.776 -10.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.267 -6.277 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.122 -5.980 -12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.312 -5.283 -10.630 1.00 0.00 H new ATOM 10 N SER A 2 -17.986 -6.923 -11.283 1.00 0.00 N ATOM 11 CA SER A 2 -16.824 -7.701 -10.899 1.00 0.00 C ATOM 12 C SER A 2 -16.001 -6.961 -9.849 1.00 0.00 C ATOM 13 O SER A 2 -15.639 -5.797 -10.038 1.00 0.00 O ATOM 14 CB SER A 2 -15.969 -7.990 -12.130 1.00 0.00 C ATOM 15 OG SER A 2 -16.251 -7.064 -13.170 1.00 0.00 O ATOM 0 H SER A 2 -17.823 -6.268 -12.048 1.00 0.00 H new ATOM 0 HA SER A 2 -17.161 -8.643 -10.466 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.913 -7.936 -11.865 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.158 -9.005 -12.480 1.00 0.00 H new ATOM 0 HG SER A 2 -15.691 -7.266 -13.949 1.00 0.00 H new ATOM 21 N LEU A 3 -15.689 -7.641 -8.754 1.00 0.00 N ATOM 22 CA LEU A 3 -14.871 -7.050 -7.709 1.00 0.00 C ATOM 23 C LEU A 3 -13.399 -7.091 -8.104 1.00 0.00 C ATOM 24 O LEU A 3 -13.035 -7.645 -9.146 1.00 0.00 O ATOM 25 CB LEU A 3 -15.074 -7.774 -6.380 1.00 0.00 C ATOM 26 CG LEU A 3 -16.504 -7.747 -5.835 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.732 -8.911 -4.888 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.785 -6.425 -5.135 1.00 0.00 C ATOM 0 H LEU A 3 -15.989 -8.598 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.179 -6.012 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.768 -8.813 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.411 -7.330 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.194 -7.844 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.754 -8.877 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.573 -9.849 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.033 -8.844 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.806 -6.425 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.089 -6.297 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.661 -5.605 -5.843 1.00 0.00 H new ATOM 40 N LEU A 4 -12.567 -6.475 -7.288 1.00 0.00 N ATOM 41 CA LEU A 4 -11.144 -6.387 -7.568 1.00 0.00 C ATOM 42 C LEU A 4 -10.425 -7.664 -7.159 1.00 0.00 C ATOM 43 O LEU A 4 -10.961 -8.480 -6.416 1.00 0.00 O ATOM 44 CB LEU A 4 -10.540 -5.200 -6.822 1.00 0.00 C ATOM 45 CG LEU A 4 -11.413 -3.951 -6.770 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.699 -3.563 -5.328 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.734 -2.814 -7.512 1.00 0.00 C ATOM 0 H LEU A 4 -12.853 -6.024 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.018 -6.249 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.316 -5.509 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.591 -4.941 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.365 -4.163 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.323 -2.670 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.219 -4.380 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.760 -3.361 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.364 -1.925 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.772 -2.599 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.578 -3.100 -8.552 1.00 0.00 H new ATOM 59 N THR A 5 -9.181 -7.786 -7.580 1.00 0.00 N ATOM 60 CA THR A 5 -8.350 -8.905 -7.186 1.00 0.00 C ATOM 61 C THR A 5 -6.970 -8.415 -6.782 1.00 0.00 C ATOM 62 O THR A 5 -6.388 -7.567 -7.454 1.00 0.00 O ATOM 63 CB THR A 5 -8.216 -9.938 -8.313 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.626 -9.363 -9.559 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.060 -11.162 -8.015 1.00 0.00 C ATOM 0 H THR A 5 -8.722 -7.118 -8.199 1.00 0.00 H new ATOM 0 HA THR A 5 -8.834 -9.389 -6.337 1.00 0.00 H new ATOM 0 HB THR A 5 -7.170 -10.239 -8.381 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.535 -10.029 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.953 -11.884 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.729 -11.614 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.106 -10.870 -7.926 1.00 0.00 H new ATOM 73 N CYS A 6 -6.511 -8.871 -5.629 1.00 0.00 N ATOM 74 CA CYS A 6 -5.256 -8.416 -5.070 1.00 0.00 C ATOM 75 C CYS A 6 -4.099 -9.243 -5.613 1.00 0.00 C ATOM 76 O CYS A 6 -4.244 -10.438 -5.855 1.00 0.00 O ATOM 77 CB CYS A 6 -5.339 -8.484 -3.539 1.00 0.00 C ATOM 78 SG CYS A 6 -4.062 -9.489 -2.715 1.00 0.00 S ATOM 0 H CYS A 6 -6.997 -9.563 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.071 -7.382 -5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.284 -7.469 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.317 -8.879 -3.265 1.00 0.00 H new ATOM 83 N GLY A 7 -2.981 -8.586 -5.876 1.00 0.00 N ATOM 84 CA GLY A 7 -1.836 -9.270 -6.441 1.00 0.00 C ATOM 85 C GLY A 7 -1.054 -10.047 -5.401 1.00 0.00 C ATOM 86 O GLY A 7 -0.070 -10.718 -5.725 1.00 0.00 O ATOM 0 H GLY A 7 -2.845 -7.589 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.173 -9.952 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.179 -8.541 -6.916 1.00 0.00 H new ATOM 90 N GLY A 8 -1.488 -9.957 -4.153 1.00 0.00 N ATOM 91 CA GLY A 8 -0.813 -10.649 -3.078 1.00 0.00 C ATOM 92 C GLY A 8 -1.350 -12.048 -2.861 1.00 0.00 C ATOM 93 O GLY A 8 -0.578 -12.999 -2.726 1.00 0.00 O ATOM 0 H GLY A 8 -2.301 -9.413 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.253 -10.703 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.920 -10.075 -2.157 1.00 0.00 H new ATOM 97 N CYS A 9 -2.669 -12.178 -2.799 1.00 0.00 N ATOM 98 CA CYS A 9 -3.286 -13.475 -2.559 1.00 0.00 C ATOM 99 C CYS A 9 -4.234 -13.862 -3.691 1.00 0.00 C ATOM 100 O CYS A 9 -4.462 -15.049 -3.940 1.00 0.00 O ATOM 101 CB CYS A 9 -4.030 -13.469 -1.221 1.00 0.00 C ATOM 102 SG CYS A 9 -5.578 -12.507 -1.211 1.00 0.00 S ATOM 0 H CYS A 9 -3.328 -11.407 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.492 -14.220 -2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.257 -14.498 -0.943 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.366 -13.070 -0.454 1.00 0.00 H new ATOM 107 N GLN A 10 -4.767 -12.852 -4.381 1.00 0.00 N ATOM 108 CA GLN A 10 -5.668 -13.055 -5.516 1.00 0.00 C ATOM 109 C GLN A 10 -6.964 -13.759 -5.105 1.00 0.00 C ATOM 110 O GLN A 10 -7.646 -14.345 -5.944 1.00 0.00 O ATOM 111 CB GLN A 10 -4.965 -13.851 -6.619 1.00 0.00 C ATOM 112 CG GLN A 10 -4.241 -12.983 -7.636 1.00 0.00 C ATOM 113 CD GLN A 10 -5.188 -12.271 -8.579 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.100 -12.877 -9.137 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.982 -10.976 -8.760 1.00 0.00 N ATOM 0 H GLN A 10 -4.586 -11.871 -4.169 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.936 -12.069 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.248 -14.533 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.702 -14.464 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.635 -12.245 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.557 -13.603 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.214 -10.510 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.592 -10.445 -9.381 1.00 0.00 H new ATOM 124 N GLN A 11 -7.324 -13.666 -3.826 1.00 0.00 N ATOM 125 CA GLN A 11 -8.544 -14.305 -3.326 1.00 0.00 C ATOM 126 C GLN A 11 -9.782 -13.458 -3.631 1.00 0.00 C ATOM 127 O GLN A 11 -10.874 -13.751 -3.138 1.00 0.00 O ATOM 128 CB GLN A 11 -8.439 -14.558 -1.815 1.00 0.00 C ATOM 129 CG GLN A 11 -8.741 -13.335 -0.959 1.00 0.00 C ATOM 130 CD GLN A 11 -9.905 -13.554 -0.013 1.00 0.00 C ATOM 131 OE1 GLN A 11 -9.833 -14.375 0.902 1.00 0.00 O ATOM 132 NE2 GLN A 11 -10.987 -12.821 -0.227 1.00 0.00 N ATOM 0 H GLN A 11 -6.793 -13.158 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.651 -15.260 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.127 -15.358 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.433 -14.910 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.854 -13.073 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.961 -12.488 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.006 -12.152 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.802 -12.926 0.378 1.00 0.00 H new ATOM 141 N ASN A 12 -9.585 -12.394 -4.416 1.00 0.00 N ATOM 142 CA ASN A 12 -10.650 -11.446 -4.772 1.00 0.00 C ATOM 143 C ASN A 12 -10.965 -10.529 -3.591 1.00 0.00 C ATOM 144 O ASN A 12 -11.084 -10.980 -2.451 1.00 0.00 O ATOM 145 CB ASN A 12 -11.918 -12.174 -5.248 1.00 0.00 C ATOM 146 CG ASN A 12 -12.930 -11.239 -5.884 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.651 -10.524 -5.191 1.00 0.00 O ATOM 148 ND2 ASN A 12 -12.999 -11.250 -7.207 1.00 0.00 N ATOM 0 H ASN A 12 -8.679 -12.164 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.290 -10.837 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.640 -12.945 -5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.380 -12.680 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.669 -10.650 -7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.382 -11.859 -7.745 1.00 0.00 H new ATOM 155 N ILE A 13 -11.003 -9.231 -3.855 1.00 0.00 N ATOM 156 CA ILE A 13 -11.233 -8.243 -2.815 1.00 0.00 C ATOM 157 C ILE A 13 -12.713 -7.907 -2.703 1.00 0.00 C ATOM 158 O ILE A 13 -13.265 -7.182 -3.534 1.00 0.00 O ATOM 159 CB ILE A 13 -10.438 -6.953 -3.080 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.007 -7.292 -3.495 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.435 -6.059 -1.848 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.383 -6.271 -4.417 1.00 0.00 C ATOM 0 H ILE A 13 -10.876 -8.837 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.890 -8.680 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.921 -6.411 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.391 -7.385 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.002 -8.264 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.867 -5.152 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.460 -5.793 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.976 -6.590 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.368 -6.580 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.975 -6.194 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.355 -5.301 -3.920 1.00 0.00 H new ATOM 174 N GLY A 14 -13.341 -8.423 -1.659 1.00 0.00 N ATOM 175 CA GLY A 14 -14.743 -8.156 -1.432 1.00 0.00 C ATOM 176 C GLY A 14 -14.956 -7.178 -0.295 1.00 0.00 C ATOM 177 O GLY A 14 -16.091 -6.824 0.021 1.00 0.00 O ATOM 0 H GLY A 14 -12.902 -9.025 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.188 -7.756 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.259 -9.090 -1.209 1.00 0.00 H new ATOM 181 N ASP A 15 -13.862 -6.736 0.319 1.00 0.00 N ATOM 182 CA ASP A 15 -13.941 -5.786 1.426 1.00 0.00 C ATOM 183 C ASP A 15 -14.371 -4.421 0.920 1.00 0.00 C ATOM 184 O ASP A 15 -14.294 -4.138 -0.275 1.00 0.00 O ATOM 185 CB ASP A 15 -12.599 -5.646 2.152 1.00 0.00 C ATOM 186 CG ASP A 15 -11.980 -6.978 2.525 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.502 -7.649 3.442 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.958 -7.356 1.913 1.00 0.00 O ATOM 0 H ASP A 15 -12.914 -7.019 0.071 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.678 -6.174 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.905 -5.096 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.742 -5.054 3.056 1.00 0.00 H new ATOM 193 N ARG A 16 -14.800 -3.571 1.834 1.00 0.00 N ATOM 194 CA ARG A 16 -15.259 -2.236 1.477 1.00 0.00 C ATOM 195 C ARG A 16 -14.086 -1.293 1.240 1.00 0.00 C ATOM 196 O ARG A 16 -14.183 -0.360 0.440 1.00 0.00 O ATOM 197 CB ARG A 16 -16.180 -1.669 2.561 1.00 0.00 C ATOM 198 CG ARG A 16 -15.533 -1.550 3.930 1.00 0.00 C ATOM 199 CD ARG A 16 -16.460 -0.860 4.915 1.00 0.00 C ATOM 200 NE ARG A 16 -16.197 -1.258 6.298 1.00 0.00 N ATOM 201 CZ ARG A 16 -16.818 -0.736 7.357 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.711 0.236 7.200 1.00 0.00 N ATOM 203 NH2 ARG A 16 -16.533 -1.177 8.579 1.00 0.00 N ATOM 0 H ARG A 16 -14.841 -3.779 2.832 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.823 -2.320 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.526 -0.684 2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.061 -2.305 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.276 -2.542 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.602 -0.989 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.346 0.220 4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.494 -1.094 4.662 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.495 -1.980 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.924 0.586 6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.183 0.631 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.840 -1.914 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.008 -0.778 9.389 1.00 0.00 H new ATOM 217 N TYR A 17 -12.981 -1.544 1.927 1.00 0.00 N ATOM 218 CA TYR A 17 -11.801 -0.705 1.797 1.00 0.00 C ATOM 219 C TYR A 17 -10.591 -1.572 1.478 1.00 0.00 C ATOM 220 O TYR A 17 -10.534 -2.734 1.886 1.00 0.00 O ATOM 221 CB TYR A 17 -11.571 0.082 3.088 1.00 0.00 C ATOM 222 CG TYR A 17 -11.191 1.525 2.858 1.00 0.00 C ATOM 223 CD1 TYR A 17 -12.124 2.430 2.370 1.00 0.00 C ATOM 224 CD2 TYR A 17 -9.907 1.983 3.120 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.791 3.752 2.154 1.00 0.00 C ATOM 226 CE2 TYR A 17 -9.566 3.306 2.907 1.00 0.00 C ATOM 227 CZ TYR A 17 -10.510 4.186 2.421 1.00 0.00 C ATOM 228 OH TYR A 17 -10.175 5.503 2.205 1.00 0.00 O ATOM 0 H TYR A 17 -12.878 -2.321 2.579 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.951 0.005 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.478 0.046 3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.784 -0.404 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.128 2.094 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.163 1.296 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.531 4.443 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.564 3.649 3.120 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.235 5.645 2.444 1.00 0.00 H new ATOM 238 N PHE A 18 -9.671 -1.042 0.686 1.00 0.00 N ATOM 239 CA PHE A 18 -8.513 -1.812 0.257 1.00 0.00 C ATOM 240 C PHE A 18 -7.363 -0.899 -0.163 1.00 0.00 C ATOM 241 O PHE A 18 -7.424 0.318 0.015 1.00 0.00 O ATOM 242 CB PHE A 18 -8.901 -2.760 -0.888 1.00 0.00 C ATOM 243 CG PHE A 18 -9.050 -2.102 -2.238 1.00 0.00 C ATOM 244 CD1 PHE A 18 -9.910 -1.027 -2.423 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.330 -2.569 -3.325 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.043 -0.435 -3.663 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.462 -1.979 -4.565 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.318 -0.911 -4.735 1.00 0.00 C ATOM 0 H PHE A 18 -9.703 -0.087 0.329 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.169 -2.407 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.146 -3.543 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.842 -3.248 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.481 -0.650 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.657 -3.405 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.715 0.401 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.894 -2.354 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.420 -0.449 -5.706 1.00 0.00 H new ATOM 258 N LEU A 19 -6.323 -1.496 -0.724 1.00 0.00 N ATOM 259 CA LEU A 19 -5.160 -0.759 -1.182 1.00 0.00 C ATOM 260 C LEU A 19 -4.909 -1.055 -2.651 1.00 0.00 C ATOM 261 O LEU A 19 -4.930 -2.205 -3.052 1.00 0.00 O ATOM 262 CB LEU A 19 -3.936 -1.179 -0.373 1.00 0.00 C ATOM 263 CG LEU A 19 -3.707 -0.406 0.920 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.035 -1.299 1.948 1.00 0.00 C ATOM 265 CD2 LEU A 19 -2.868 0.832 0.656 1.00 0.00 C ATOM 0 H LEU A 19 -6.263 -2.503 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.341 0.308 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.028 -2.238 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.052 -1.071 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.671 -0.086 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.875 -0.738 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.671 -2.160 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.075 -1.641 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.714 1.373 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.903 0.537 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.384 1.476 -0.056 1.00 0.00 H new ATOM 277 N LYS A 20 -4.637 -0.036 -3.444 1.00 0.00 N ATOM 278 CA LYS A 20 -4.287 -0.246 -4.845 1.00 0.00 C ATOM 279 C LYS A 20 -3.618 1.005 -5.401 1.00 0.00 C ATOM 280 O LYS A 20 -4.017 2.111 -5.038 1.00 0.00 O ATOM 281 CB LYS A 20 -5.535 -0.635 -5.663 1.00 0.00 C ATOM 282 CG LYS A 20 -5.771 0.175 -6.931 1.00 0.00 C ATOM 283 CD LYS A 20 -7.086 0.936 -6.868 1.00 0.00 C ATOM 284 CE LYS A 20 -7.269 1.838 -8.078 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.524 1.538 -8.820 1.00 0.00 N ATOM 0 H LYS A 20 -4.650 0.940 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.580 -1.072 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.455 -1.687 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.412 -0.537 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.949 0.877 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.775 -0.491 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.914 0.229 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.117 1.536 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.281 2.879 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.417 1.722 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.606 2.177 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.504 0.553 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.341 1.674 -8.190 1.00 0.00 H new ATOM 299 N ALA A 21 -2.633 0.826 -6.294 1.00 0.00 N ATOM 300 CA ALA A 21 -1.940 1.957 -6.938 1.00 0.00 C ATOM 301 C ALA A 21 -0.712 1.474 -7.698 1.00 0.00 C ATOM 302 O ALA A 21 -0.335 2.046 -8.720 1.00 0.00 O ATOM 303 CB ALA A 21 -1.509 3.012 -5.926 1.00 0.00 C ATOM 0 H ALA A 21 -2.297 -0.091 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.652 2.408 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.003 3.827 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.387 3.400 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.829 2.564 -5.201 1.00 0.00 H new ATOM 309 N ILE A 22 -0.044 0.483 -7.118 1.00 0.00 N ATOM 310 CA ILE A 22 1.198 -0.058 -7.654 1.00 0.00 C ATOM 311 C ILE A 22 1.102 -0.345 -9.155 1.00 0.00 C ATOM 312 O ILE A 22 1.919 0.134 -9.940 1.00 0.00 O ATOM 313 CB ILE A 22 1.574 -1.349 -6.887 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.211 -0.977 -5.540 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.497 -2.244 -7.709 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.872 -2.134 -4.821 1.00 0.00 C ATOM 0 H ILE A 22 -0.352 0.030 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 22 1.976 0.694 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 22 0.665 -1.922 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.953 -0.196 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.443 -0.554 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.739 -3.140 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.998 -2.528 -8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.415 -1.704 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.296 -1.783 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.131 -2.908 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.666 -2.545 -5.445 1.00 0.00 H new ATOM 328 N ASP A 23 0.064 -1.071 -9.539 1.00 0.00 N ATOM 329 CA ASP A 23 -0.174 -1.446 -10.935 1.00 0.00 C ATOM 330 C ASP A 23 -1.365 -2.378 -10.982 1.00 0.00 C ATOM 331 O ASP A 23 -2.038 -2.523 -12.001 1.00 0.00 O ATOM 332 CB ASP A 23 1.054 -2.150 -11.532 1.00 0.00 C ATOM 333 CG ASP A 23 0.887 -2.489 -13.000 1.00 0.00 C ATOM 334 OD1 ASP A 23 1.073 -1.590 -13.847 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.579 -3.659 -13.316 1.00 0.00 O ATOM 0 H ASP A 23 -0.643 -1.421 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.366 -0.547 -11.521 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.928 -1.510 -11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.248 -3.065 -10.973 1.00 0.00 H new ATOM 340 N GLN A 24 -1.668 -2.929 -9.821 1.00 0.00 N ATOM 341 CA GLN A 24 -2.809 -3.797 -9.650 1.00 0.00 C ATOM 342 C GLN A 24 -3.475 -3.465 -8.329 1.00 0.00 C ATOM 343 O GLN A 24 -2.978 -2.620 -7.576 1.00 0.00 O ATOM 344 CB GLN A 24 -2.377 -5.269 -9.679 1.00 0.00 C ATOM 345 CG GLN A 24 -1.419 -5.647 -8.560 1.00 0.00 C ATOM 346 CD GLN A 24 -0.042 -6.039 -9.065 1.00 0.00 C ATOM 347 OE1 GLN A 24 0.509 -7.062 -8.662 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.521 -5.228 -9.949 1.00 0.00 N ATOM 0 H GLN A 24 -1.125 -2.784 -8.970 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.513 -3.642 -10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.263 -5.900 -9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.904 -5.481 -10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.322 -4.807 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.841 -6.476 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.029 -4.389 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.446 -5.443 -10.321 1.00 0.00 H new ATOM 357 N TYR A 25 -4.544 -4.163 -8.015 1.00 0.00 N ATOM 358 CA TYR A 25 -5.219 -3.963 -6.750 1.00 0.00 C ATOM 359 C TYR A 25 -4.609 -4.861 -5.690 1.00 0.00 C ATOM 360 O TYR A 25 -3.946 -5.851 -6.006 1.00 0.00 O ATOM 361 CB TYR A 25 -6.716 -4.238 -6.879 1.00 0.00 C ATOM 362 CG TYR A 25 -7.294 -3.831 -8.212 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.195 -2.522 -8.669 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.937 -4.763 -9.017 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.723 -2.155 -9.890 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.466 -4.402 -10.240 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.356 -3.099 -10.671 1.00 0.00 C ATOM 368 OH TYR A 25 -8.876 -2.738 -11.892 1.00 0.00 O ATOM 0 H TYR A 25 -4.964 -4.872 -8.616 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.091 -2.922 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.896 -5.302 -6.724 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.244 -3.707 -6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.698 -1.782 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.024 -5.786 -8.681 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.641 -1.134 -10.232 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.963 -5.137 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.287 -3.520 -12.316 1.00 0.00 H new ATOM 378 N TRP A 26 -4.762 -4.463 -4.443 1.00 0.00 N ATOM 379 CA TRP A 26 -4.195 -5.194 -3.332 1.00 0.00 C ATOM 380 C TRP A 26 -5.223 -5.347 -2.230 1.00 0.00 C ATOM 381 O TRP A 26 -6.403 -5.047 -2.410 1.00 0.00 O ATOM 382 CB TRP A 26 -2.960 -4.472 -2.777 1.00 0.00 C ATOM 383 CG TRP A 26 -1.890 -4.246 -3.792 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.687 -3.122 -4.537 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.875 -5.174 -4.172 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.604 -3.292 -5.358 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.088 -4.549 -5.154 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.558 -6.477 -3.773 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.999 -5.185 -5.748 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.520 -7.106 -4.364 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.288 -6.461 -5.341 1.00 0.00 C ATOM 0 H TRP A 26 -5.281 -3.627 -4.174 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.896 -6.178 -3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.267 -3.510 -2.365 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.549 -5.055 -1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.292 -2.229 -4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.240 -2.600 -6.013 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.144 -6.980 -3.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.593 -4.690 -6.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.775 -8.113 -4.068 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.126 -6.980 -5.783 1.00 0.00 H new ATOM 402 N HIS A 27 -4.747 -5.717 -1.067 1.00 0.00 N ATOM 403 CA HIS A 27 -5.592 -5.862 0.099 1.00 0.00 C ATOM 404 C HIS A 27 -5.081 -4.972 1.213 1.00 0.00 C ATOM 405 O HIS A 27 -3.910 -4.587 1.214 1.00 0.00 O ATOM 406 CB HIS A 27 -5.603 -7.316 0.564 1.00 0.00 C ATOM 407 CG HIS A 27 -6.809 -8.091 0.132 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.703 -9.334 -0.435 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.122 -7.765 0.227 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.934 -9.741 -0.672 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.836 -8.822 -0.288 1.00 0.00 N ATOM 0 H HIS A 27 -3.763 -5.927 -0.899 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.609 -5.568 -0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.711 -7.814 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.542 -7.338 1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.529 -6.850 0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.186 -10.692 -1.118 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.851 -8.894 -0.364 1.00 0.00 H new ATOM 419 N GLU A 28 -5.944 -4.686 2.173 1.00 0.00 N ATOM 420 CA GLU A 28 -5.580 -3.866 3.315 1.00 0.00 C ATOM 421 C GLU A 28 -4.550 -4.578 4.190 1.00 0.00 C ATOM 422 O GLU A 28 -3.772 -3.937 4.891 1.00 0.00 O ATOM 423 CB GLU A 28 -6.826 -3.555 4.142 1.00 0.00 C ATOM 424 CG GLU A 28 -7.341 -2.132 3.990 1.00 0.00 C ATOM 425 CD GLU A 28 -8.424 -1.804 4.997 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.052 -2.744 5.529 1.00 0.00 O ATOM 427 OE2 GLU A 28 -8.643 -0.608 5.278 1.00 0.00 O ATOM 0 H GLU A 28 -6.910 -5.013 2.183 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.140 -2.939 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.618 -4.248 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.605 -3.738 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.513 -1.433 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.731 -1.995 2.982 1.00 0.00 H new ATOM 434 N ASP A 29 -4.637 -5.903 4.230 1.00 0.00 N ATOM 435 CA ASP A 29 -3.802 -6.703 5.121 1.00 0.00 C ATOM 436 C ASP A 29 -2.845 -7.608 4.344 1.00 0.00 C ATOM 437 O ASP A 29 -2.102 -8.397 4.928 1.00 0.00 O ATOM 438 CB ASP A 29 -4.704 -7.542 6.036 1.00 0.00 C ATOM 439 CG ASP A 29 -3.959 -8.197 7.181 1.00 0.00 C ATOM 440 OD1 ASP A 29 -3.192 -7.503 7.883 1.00 0.00 O ATOM 441 OD2 ASP A 29 -4.155 -9.412 7.402 1.00 0.00 O ATOM 0 H ASP A 29 -5.279 -6.448 3.654 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.191 -6.027 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.490 -6.905 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.193 -8.314 5.442 1.00 0.00 H new ATOM 446 N CYS A 30 -2.832 -7.462 3.027 1.00 0.00 N ATOM 447 CA CYS A 30 -1.950 -8.264 2.189 1.00 0.00 C ATOM 448 C CYS A 30 -0.650 -7.525 1.901 1.00 0.00 C ATOM 449 O CYS A 30 0.439 -8.083 2.051 1.00 0.00 O ATOM 450 CB CYS A 30 -2.651 -8.645 0.881 1.00 0.00 C ATOM 451 SG CYS A 30 -3.577 -10.213 0.980 1.00 0.00 S ATOM 0 H CYS A 30 -3.418 -6.800 2.517 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.707 -9.177 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.336 -7.845 0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.907 -8.721 0.088 1.00 0.00 H new ATOM 456 N LEU A 31 -0.771 -6.272 1.490 1.00 0.00 N ATOM 457 CA LEU A 31 0.391 -5.455 1.170 1.00 0.00 C ATOM 458 C LEU A 31 1.274 -5.252 2.396 1.00 0.00 C ATOM 459 O LEU A 31 0.877 -4.617 3.370 1.00 0.00 O ATOM 460 CB LEU A 31 -0.041 -4.102 0.607 1.00 0.00 C ATOM 461 CG LEU A 31 0.321 -3.868 -0.862 1.00 0.00 C ATOM 462 CD1 LEU A 31 0.030 -2.432 -1.251 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.784 -4.202 -1.122 1.00 0.00 C ATOM 0 H LEU A 31 -1.665 -5.797 1.370 1.00 0.00 H new ATOM 0 HA LEU A 31 0.970 -5.984 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.121 -4.007 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.413 -3.314 1.208 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.291 -4.530 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.292 -2.278 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.030 -2.224 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.619 -1.760 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.016 -4.027 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.418 -3.569 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.967 -5.249 -0.879 1.00 0.00 H new ATOM 475 N SER A 32 2.467 -5.815 2.347 1.00 0.00 N ATOM 476 CA SER A 32 3.411 -5.702 3.442 1.00 0.00 C ATOM 477 C SER A 32 4.803 -5.402 2.903 1.00 0.00 C ATOM 478 O SER A 32 5.015 -5.440 1.691 1.00 0.00 O ATOM 479 CB SER A 32 3.425 -7.003 4.249 1.00 0.00 C ATOM 480 OG SER A 32 2.126 -7.573 4.317 1.00 0.00 O ATOM 0 H SER A 32 2.807 -6.359 1.554 1.00 0.00 H new ATOM 0 HA SER A 32 3.106 -4.884 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.114 -7.712 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.793 -6.807 5.256 1.00 0.00 H new ATOM 0 HG SER A 32 1.817 -7.792 3.413 1.00 0.00 H new ATOM 486 N CYS A 33 5.750 -5.163 3.806 1.00 0.00 N ATOM 487 CA CYS A 33 7.139 -4.974 3.427 1.00 0.00 C ATOM 488 C CYS A 33 7.627 -6.208 2.673 1.00 0.00 C ATOM 489 O CYS A 33 7.716 -7.288 3.250 1.00 0.00 O ATOM 490 CB CYS A 33 7.984 -4.766 4.686 1.00 0.00 C ATOM 491 SG CYS A 33 8.552 -3.057 4.972 1.00 0.00 S ATOM 0 H CYS A 33 5.575 -5.096 4.809 1.00 0.00 H new ATOM 0 HA CYS A 33 7.231 -4.099 2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.403 -5.087 5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.857 -5.416 4.629 1.00 0.00 H new ATOM 496 N ASP A 34 7.804 -6.081 1.368 1.00 0.00 N ATOM 497 CA ASP A 34 8.168 -7.230 0.546 1.00 0.00 C ATOM 498 C ASP A 34 9.535 -7.751 0.940 1.00 0.00 C ATOM 499 O ASP A 34 9.744 -8.957 1.072 1.00 0.00 O ATOM 500 CB ASP A 34 8.171 -6.858 -0.934 1.00 0.00 C ATOM 501 CG ASP A 34 7.891 -8.050 -1.827 1.00 0.00 C ATOM 502 OD1 ASP A 34 6.936 -8.802 -1.541 1.00 0.00 O ATOM 503 OD2 ASP A 34 8.616 -8.234 -2.824 1.00 0.00 O ATOM 0 H ASP A 34 7.703 -5.204 0.856 1.00 0.00 H new ATOM 0 HA ASP A 34 7.425 -8.010 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.421 -6.088 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.138 -6.429 -1.197 1.00 0.00 H new ATOM 508 N LEU A 35 10.454 -6.827 1.147 1.00 0.00 N ATOM 509 CA LEU A 35 11.811 -7.169 1.534 1.00 0.00 C ATOM 510 C LEU A 35 11.873 -7.601 2.996 1.00 0.00 C ATOM 511 O LEU A 35 12.344 -8.694 3.314 1.00 0.00 O ATOM 512 CB LEU A 35 12.727 -5.966 1.304 1.00 0.00 C ATOM 513 CG LEU A 35 14.205 -6.211 1.598 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.924 -6.692 0.347 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.848 -4.943 2.136 1.00 0.00 C ATOM 0 H LEU A 35 10.284 -5.826 1.053 1.00 0.00 H new ATOM 0 HA LEU A 35 12.145 -8.006 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.627 -5.646 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.381 -5.141 1.927 1.00 0.00 H new ATOM 0 HG LEU A 35 14.288 -6.989 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.976 -6.862 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.473 -7.623 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.839 -5.937 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.902 -5.129 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.758 -4.147 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.346 -4.642 3.056 1.00 0.00 H new ATOM 527 N CYS A 36 11.483 -6.693 3.879 1.00 0.00 N ATOM 528 CA CYS A 36 11.586 -6.910 5.313 1.00 0.00 C ATOM 529 C CYS A 36 10.560 -7.919 5.821 1.00 0.00 C ATOM 530 O CYS A 36 10.920 -8.935 6.413 1.00 0.00 O ATOM 531 CB CYS A 36 11.424 -5.570 6.016 1.00 0.00 C ATOM 532 SG CYS A 36 12.268 -4.216 5.140 1.00 0.00 S ATOM 0 H CYS A 36 11.088 -5.789 3.622 1.00 0.00 H new ATOM 0 HA CYS A 36 12.565 -7.335 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.363 -5.336 6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.819 -5.645 7.029 1.00 0.00 H new ATOM 537 N GLY A 37 9.298 -7.666 5.536 1.00 0.00 N ATOM 538 CA GLY A 37 8.255 -8.597 5.920 1.00 0.00 C ATOM 539 C GLY A 37 7.344 -8.060 7.008 1.00 0.00 C ATOM 540 O GLY A 37 6.680 -8.830 7.698 1.00 0.00 O ATOM 0 H GLY A 37 8.972 -6.833 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.656 -8.844 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.713 -9.524 6.264 1.00 0.00 H new ATOM 544 N CYS A 38 7.295 -6.743 7.165 1.00 0.00 N ATOM 545 CA CYS A 38 6.438 -6.140 8.179 1.00 0.00 C ATOM 546 C CYS A 38 5.007 -5.983 7.649 1.00 0.00 C ATOM 547 O CYS A 38 4.275 -6.970 7.575 1.00 0.00 O ATOM 548 CB CYS A 38 7.030 -4.809 8.654 1.00 0.00 C ATOM 549 SG CYS A 38 8.628 -4.412 7.910 1.00 0.00 S ATOM 0 H CYS A 38 7.833 -6.077 6.610 1.00 0.00 H new ATOM 0 HA CYS A 38 6.389 -6.800 9.045 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.326 -4.008 8.428 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.142 -4.839 9.738 1.00 0.00 H new ATOM 0 HG CYS A 38 8.444 -3.675 6.855 1.00 0.00 H new ATOM 555 N ARG A 39 4.619 -4.769 7.245 1.00 0.00 N ATOM 556 CA ARG A 39 3.274 -4.527 6.719 1.00 0.00 C ATOM 557 C ARG A 39 3.105 -3.073 6.298 1.00 0.00 C ATOM 558 O ARG A 39 3.749 -2.185 6.850 1.00 0.00 O ATOM 559 CB ARG A 39 2.209 -4.873 7.767 1.00 0.00 C ATOM 560 CG ARG A 39 1.181 -5.885 7.286 1.00 0.00 C ATOM 561 CD ARG A 39 0.051 -5.218 6.517 1.00 0.00 C ATOM 562 NE ARG A 39 -1.244 -5.438 7.151 1.00 0.00 N ATOM 563 CZ ARG A 39 -2.102 -4.466 7.458 1.00 0.00 C ATOM 564 NH1 ARG A 39 -1.839 -3.207 7.136 1.00 0.00 N ATOM 565 NH2 ARG A 39 -3.245 -4.767 8.052 1.00 0.00 N ATOM 0 H ARG A 39 5.216 -3.942 7.272 1.00 0.00 H new ATOM 0 HA ARG A 39 3.145 -5.169 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.702 -5.265 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.694 -3.959 8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.668 -6.624 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.771 -6.422 8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.243 -4.147 6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.027 -5.606 5.499 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.510 -6.397 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.973 -2.975 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.502 -2.470 7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.465 -5.738 8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.906 -4.028 8.290 1.00 0.00 H new ATOM 579 N LEU A 40 2.177 -2.833 5.381 1.00 0.00 N ATOM 580 CA LEU A 40 1.812 -1.481 4.977 1.00 0.00 C ATOM 581 C LEU A 40 0.296 -1.398 4.869 1.00 0.00 C ATOM 582 O LEU A 40 -0.379 -2.424 4.893 1.00 0.00 O ATOM 583 CB LEU A 40 2.458 -1.100 3.637 1.00 0.00 C ATOM 584 CG LEU A 40 3.632 -1.974 3.195 1.00 0.00 C ATOM 585 CD1 LEU A 40 3.538 -2.269 1.707 1.00 0.00 C ATOM 586 CD2 LEU A 40 4.956 -1.299 3.525 1.00 0.00 C ATOM 0 H LEU A 40 1.658 -3.566 4.898 1.00 0.00 H new ATOM 0 HA LEU A 40 2.177 -0.778 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.692 -1.134 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.801 -0.067 3.701 1.00 0.00 H new ATOM 0 HG LEU A 40 3.586 -2.918 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.380 -2.892 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.606 -2.793 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.561 -1.333 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.780 -1.936 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.015 -0.341 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.023 -1.136 4.601 1.00 0.00 H new ATOM 598 N GLY A 41 -0.243 -0.193 4.816 1.00 0.00 N ATOM 599 CA GLY A 41 -1.681 -0.043 4.745 1.00 0.00 C ATOM 600 C GLY A 41 -2.131 1.382 4.962 1.00 0.00 C ATOM 601 O GLY A 41 -3.031 1.641 5.759 1.00 0.00 O ATOM 0 H GLY A 41 0.284 0.680 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.030 -0.385 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.146 -0.684 5.494 1.00 0.00 H new ATOM 605 N GLU A 42 -1.500 2.310 4.264 1.00 0.00 N ATOM 606 CA GLU A 42 -1.817 3.720 4.414 1.00 0.00 C ATOM 607 C GLU A 42 -1.810 4.424 3.062 1.00 0.00 C ATOM 608 O GLU A 42 -1.504 3.816 2.035 1.00 0.00 O ATOM 609 CB GLU A 42 -0.809 4.384 5.355 1.00 0.00 C ATOM 610 CG GLU A 42 0.632 4.244 4.896 1.00 0.00 C ATOM 611 CD GLU A 42 1.364 3.118 5.595 1.00 0.00 C ATOM 612 OE1 GLU A 42 1.296 1.971 5.115 1.00 0.00 O ATOM 613 OE2 GLU A 42 2.024 3.378 6.622 1.00 0.00 O ATOM 0 H GLU A 42 -0.764 2.112 3.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.817 3.805 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.052 5.443 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.909 3.947 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.650 4.070 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.159 5.181 5.077 1.00 0.00 H new ATOM 620 N VAL A 43 -2.086 5.719 3.084 1.00 0.00 N ATOM 621 CA VAL A 43 -2.037 6.542 1.885 1.00 0.00 C ATOM 622 C VAL A 43 -1.097 7.717 2.123 1.00 0.00 C ATOM 623 O VAL A 43 -1.224 8.433 3.120 1.00 0.00 O ATOM 624 CB VAL A 43 -3.445 7.050 1.469 1.00 0.00 C ATOM 625 CG1 VAL A 43 -4.368 7.158 2.674 1.00 0.00 C ATOM 626 CG2 VAL A 43 -3.363 8.385 0.740 1.00 0.00 C ATOM 0 H VAL A 43 -2.349 6.227 3.929 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.665 5.928 1.064 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.864 6.315 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.346 7.516 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.475 6.178 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.945 7.858 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.366 8.711 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.907 9.129 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.757 8.272 -0.159 1.00 0.00 H new ATOM 636 N GLY A 44 -0.068 7.820 1.297 1.00 0.00 N ATOM 637 CA GLY A 44 0.946 8.827 1.517 1.00 0.00 C ATOM 638 C GLY A 44 2.212 8.538 0.744 1.00 0.00 C ATOM 639 O GLY A 44 2.244 7.622 -0.076 1.00 0.00 O ATOM 0 H GLY A 44 0.082 7.226 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.557 9.802 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.176 8.883 2.581 1.00 0.00 H new ATOM 643 N ARG A 45 3.276 9.260 1.070 1.00 0.00 N ATOM 644 CA ARG A 45 4.578 9.059 0.436 1.00 0.00 C ATOM 645 C ARG A 45 5.309 7.877 1.064 1.00 0.00 C ATOM 646 O ARG A 45 6.507 7.939 1.349 1.00 0.00 O ATOM 647 CB ARG A 45 5.438 10.325 0.537 1.00 0.00 C ATOM 648 CG ARG A 45 5.077 11.238 1.700 1.00 0.00 C ATOM 649 CD ARG A 45 5.897 10.917 2.938 1.00 0.00 C ATOM 650 NE ARG A 45 7.326 10.803 2.639 1.00 0.00 N ATOM 651 CZ ARG A 45 8.232 10.380 3.513 1.00 0.00 C ATOM 652 NH1 ARG A 45 7.875 10.068 4.750 1.00 0.00 N ATOM 653 NH2 ARG A 45 9.504 10.273 3.152 1.00 0.00 N ATOM 0 H ARG A 45 3.265 9.997 1.775 1.00 0.00 H new ATOM 0 HA ARG A 45 4.405 8.842 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.484 10.033 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.347 10.887 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.242 12.277 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.016 11.135 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.745 11.696 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.543 9.983 3.375 1.00 0.00 H new ATOM 0 HE ARG A 45 7.644 11.064 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.899 10.152 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.576 9.744 5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.787 10.516 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.199 9.948 3.824 1.00 0.00 H new ATOM 667 N ARG A 46 4.575 6.802 1.261 1.00 0.00 N ATOM 668 CA ARG A 46 5.124 5.578 1.818 1.00 0.00 C ATOM 669 C ARG A 46 5.562 4.644 0.692 1.00 0.00 C ATOM 670 O ARG A 46 5.716 5.096 -0.437 1.00 0.00 O ATOM 671 CB ARG A 46 4.092 4.908 2.729 1.00 0.00 C ATOM 672 CG ARG A 46 3.588 5.828 3.834 1.00 0.00 C ATOM 673 CD ARG A 46 4.028 5.359 5.217 1.00 0.00 C ATOM 674 NE ARG A 46 5.344 4.719 5.200 1.00 0.00 N ATOM 675 CZ ARG A 46 5.566 3.459 5.577 1.00 0.00 C ATOM 676 NH1 ARG A 46 4.583 2.728 6.092 1.00 0.00 N ATOM 677 NH2 ARG A 46 6.778 2.936 5.452 1.00 0.00 N ATOM 0 H ARG A 46 3.581 6.749 1.040 1.00 0.00 H new ATOM 0 HA ARG A 46 6.001 5.815 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.246 4.575 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.534 4.019 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.957 6.839 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.500 5.876 3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.051 6.212 5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.292 4.658 5.611 1.00 0.00 H new ATOM 0 HE ARG A 46 6.140 5.270 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.652 3.130 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.760 1.765 6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.538 3.497 5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.950 1.973 5.740 1.00 0.00 H new ATOM 691 N LEU A 47 5.858 3.388 1.047 1.00 0.00 N ATOM 692 CA LEU A 47 6.378 2.362 0.120 1.00 0.00 C ATOM 693 C LEU A 47 6.068 2.633 -1.358 1.00 0.00 C ATOM 694 O LEU A 47 4.922 2.515 -1.791 1.00 0.00 O ATOM 695 CB LEU A 47 5.812 0.986 0.495 1.00 0.00 C ATOM 696 CG LEU A 47 6.225 -0.167 -0.432 1.00 0.00 C ATOM 697 CD1 LEU A 47 6.841 -1.299 0.371 1.00 0.00 C ATOM 698 CD2 LEU A 47 5.028 -0.674 -1.231 1.00 0.00 C ATOM 0 H LEU A 47 5.743 3.045 2.001 1.00 0.00 H new ATOM 0 HA LEU A 47 7.462 2.392 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.128 0.746 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.724 1.050 0.506 1.00 0.00 H new ATOM 0 HG LEU A 47 6.970 0.209 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.128 -2.108 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.723 -0.934 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.115 -1.669 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.344 -1.490 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.259 -1.032 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.625 0.137 -1.837 1.00 0.00 H new ATOM 710 N TYR A 48 7.124 2.786 -2.149 1.00 0.00 N ATOM 711 CA TYR A 48 6.986 2.826 -3.599 1.00 0.00 C ATOM 712 C TYR A 48 7.572 1.551 -4.174 1.00 0.00 C ATOM 713 O TYR A 48 8.676 1.163 -3.806 1.00 0.00 O ATOM 714 CB TYR A 48 7.704 4.031 -4.225 1.00 0.00 C ATOM 715 CG TYR A 48 8.286 5.030 -3.249 1.00 0.00 C ATOM 716 CD1 TYR A 48 7.491 6.028 -2.699 1.00 0.00 C ATOM 717 CD2 TYR A 48 9.632 4.993 -2.898 1.00 0.00 C ATOM 718 CE1 TYR A 48 8.015 6.958 -1.823 1.00 0.00 C ATOM 719 CE2 TYR A 48 10.159 5.921 -2.020 1.00 0.00 C ATOM 720 CZ TYR A 48 9.349 6.897 -1.486 1.00 0.00 C ATOM 721 OH TYR A 48 9.879 7.819 -0.611 1.00 0.00 O ATOM 0 H TYR A 48 8.082 2.884 -1.812 1.00 0.00 H new ATOM 0 HA TYR A 48 5.925 2.920 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.509 3.661 -4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.000 4.553 -4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.444 6.077 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.272 4.230 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.383 7.728 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.205 5.880 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 48 9.186 8.110 0.017 1.00 0.00 H new ATOM 731 N TYR A 49 6.846 0.888 -5.052 1.00 0.00 N ATOM 732 CA TYR A 49 7.335 -0.359 -5.616 1.00 0.00 C ATOM 733 C TYR A 49 8.282 -0.086 -6.780 1.00 0.00 C ATOM 734 O TYR A 49 8.095 0.862 -7.541 1.00 0.00 O ATOM 735 CB TYR A 49 6.165 -1.262 -6.034 1.00 0.00 C ATOM 736 CG TYR A 49 5.850 -1.278 -7.517 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.276 -0.181 -8.146 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.117 -2.405 -8.284 1.00 0.00 C ATOM 739 CE1 TYR A 49 4.977 -0.208 -9.496 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.824 -2.438 -9.634 1.00 0.00 C ATOM 741 CZ TYR A 49 5.253 -1.336 -10.235 1.00 0.00 C ATOM 742 OH TYR A 49 4.952 -1.367 -11.580 1.00 0.00 O ATOM 0 H TYR A 49 5.929 1.184 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 49 7.900 -0.890 -4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.384 -2.281 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.273 -0.944 -5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.060 0.708 -7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.562 -3.271 -7.817 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.528 0.653 -9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.041 -3.322 -10.215 1.00 0.00 H new ATOM 0 HH TYR A 49 5.211 -2.235 -11.953 1.00 0.00 H new ATOM 752 N LYS A 50 9.306 -0.915 -6.898 1.00 0.00 N ATOM 753 CA LYS A 50 10.280 -0.795 -7.969 1.00 0.00 C ATOM 754 C LYS A 50 9.828 -1.634 -9.160 1.00 0.00 C ATOM 755 O LYS A 50 8.990 -2.511 -8.993 1.00 0.00 O ATOM 756 CB LYS A 50 11.661 -1.232 -7.465 1.00 0.00 C ATOM 757 CG LYS A 50 12.615 -0.068 -7.243 1.00 0.00 C ATOM 758 CD LYS A 50 13.794 -0.455 -6.368 1.00 0.00 C ATOM 759 CE LYS A 50 14.629 -1.542 -7.014 1.00 0.00 C ATOM 760 NZ LYS A 50 15.429 -1.024 -8.151 1.00 0.00 N ATOM 0 H LYS A 50 9.485 -1.687 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 50 10.355 0.243 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.543 -1.779 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.101 -1.922 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.980 0.289 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.076 0.759 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.415 0.422 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.432 -0.799 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.296 -1.978 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.976 -2.341 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.297 -1.588 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.872 -1.090 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.680 -0.030 -7.975 1.00 0.00 H new ATOM 774 N LEU A 51 10.326 -1.278 -10.353 1.00 0.00 N ATOM 775 CA LEU A 51 9.922 -1.866 -11.648 1.00 0.00 C ATOM 776 C LEU A 51 9.273 -3.244 -11.535 1.00 0.00 C ATOM 777 O LEU A 51 8.152 -3.452 -12.002 1.00 0.00 O ATOM 778 CB LEU A 51 11.130 -1.958 -12.589 1.00 0.00 C ATOM 779 CG LEU A 51 12.460 -1.487 -12.000 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.163 -2.629 -11.284 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.351 -0.913 -13.088 1.00 0.00 C ATOM 0 H LEU A 51 11.039 -0.555 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 51 9.164 -1.193 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.241 -2.994 -12.909 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.919 -1.369 -13.482 1.00 0.00 H new ATOM 0 HG LEU A 51 12.253 -0.701 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.107 -2.274 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.530 -2.997 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.356 -3.437 -11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.293 -0.583 -12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.548 -1.679 -13.838 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.852 -0.065 -13.557 1.00 0.00 H new ATOM 793 N GLY A 52 10.009 -4.194 -10.988 1.00 0.00 N ATOM 794 CA GLY A 52 9.508 -5.553 -10.900 1.00 0.00 C ATOM 795 C GLY A 52 9.537 -6.101 -9.488 1.00 0.00 C ATOM 796 O GLY A 52 9.424 -7.311 -9.282 1.00 0.00 O ATOM 0 H GLY A 52 10.943 -4.053 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.485 -5.583 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.104 -6.197 -11.547 1.00 0.00 H new ATOM 800 N ARG A 53 9.632 -5.211 -8.511 1.00 0.00 N ATOM 801 CA ARG A 53 9.628 -5.613 -7.110 1.00 0.00 C ATOM 802 C ARG A 53 8.824 -4.624 -6.280 1.00 0.00 C ATOM 803 O ARG A 53 9.233 -3.475 -6.111 1.00 0.00 O ATOM 804 CB ARG A 53 11.055 -5.714 -6.547 1.00 0.00 C ATOM 805 CG ARG A 53 12.167 -5.537 -7.577 1.00 0.00 C ATOM 806 CD ARG A 53 13.525 -5.875 -6.982 1.00 0.00 C ATOM 807 NE ARG A 53 14.566 -6.023 -7.998 1.00 0.00 N ATOM 808 CZ ARG A 53 15.314 -7.118 -8.148 1.00 0.00 C ATOM 809 NH1 ARG A 53 15.100 -8.188 -7.385 1.00 0.00 N ATOM 810 NH2 ARG A 53 16.269 -7.148 -9.070 1.00 0.00 N ATOM 0 H ARG A 53 9.713 -4.205 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 53 9.167 -6.599 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.177 -4.960 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.173 -6.687 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.974 -6.177 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.171 -4.509 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.815 -5.092 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.447 -6.800 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 53 14.731 -5.241 -8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.361 -8.173 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.675 -9.022 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.431 -6.334 -9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.841 -7.985 -9.185 1.00 0.00 H new ATOM 824 N LYS A 54 7.719 -5.088 -5.707 1.00 0.00 N ATOM 825 CA LYS A 54 6.888 -4.245 -4.849 1.00 0.00 C ATOM 826 C LYS A 54 7.489 -4.146 -3.451 1.00 0.00 C ATOM 827 O LYS A 54 6.859 -4.510 -2.459 1.00 0.00 O ATOM 828 CB LYS A 54 5.450 -4.776 -4.775 1.00 0.00 C ATOM 829 CG LYS A 54 5.348 -6.291 -4.700 1.00 0.00 C ATOM 830 CD LYS A 54 4.422 -6.723 -3.574 1.00 0.00 C ATOM 831 CE LYS A 54 4.218 -8.230 -3.561 1.00 0.00 C ATOM 832 NZ LYS A 54 4.394 -8.798 -2.200 1.00 0.00 N ATOM 0 H LYS A 54 7.376 -6.042 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 54 6.858 -3.248 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.961 -4.346 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.901 -4.429 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.979 -6.681 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.339 -6.718 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.838 -6.404 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.458 -6.226 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.218 -8.465 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.926 -8.699 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.331 -9.835 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.325 -8.524 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.649 -8.433 -1.573 1.00 0.00 H new ATOM 846 N LEU A 55 8.722 -3.678 -3.394 1.00 0.00 N ATOM 847 CA LEU A 55 9.449 -3.575 -2.142 1.00 0.00 C ATOM 848 C LEU A 55 9.631 -2.117 -1.732 1.00 0.00 C ATOM 849 O LEU A 55 9.367 -1.199 -2.510 1.00 0.00 O ATOM 850 CB LEU A 55 10.808 -4.277 -2.259 1.00 0.00 C ATOM 851 CG LEU A 55 12.000 -3.366 -2.552 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.279 -3.968 -1.995 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.125 -3.119 -4.046 1.00 0.00 C ATOM 0 H LEU A 55 9.246 -3.360 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 55 8.865 -4.070 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.002 -4.811 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.743 -5.026 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 55 11.833 -2.407 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.117 -3.306 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.184 -4.090 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.455 -4.940 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.979 -2.469 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.270 -4.069 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.216 -2.642 -4.413 1.00 0.00 H new ATOM 865 N CYS A 56 10.096 -1.931 -0.509 1.00 0.00 N ATOM 866 CA CYS A 56 10.343 -0.624 0.067 1.00 0.00 C ATOM 867 C CYS A 56 11.491 0.091 -0.649 1.00 0.00 C ATOM 868 O CYS A 56 12.255 -0.530 -1.379 1.00 0.00 O ATOM 869 CB CYS A 56 10.688 -0.869 1.523 1.00 0.00 C ATOM 870 SG CYS A 56 10.840 -2.656 1.889 1.00 0.00 S ATOM 0 H CYS A 56 10.316 -2.701 0.123 1.00 0.00 H new ATOM 0 HA CYS A 56 9.470 0.021 -0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.625 -0.367 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.918 -0.431 2.158 1.00 0.00 H new ATOM 875 N ARG A 57 11.648 1.383 -0.400 1.00 0.00 N ATOM 876 CA ARG A 57 12.773 2.120 -0.959 1.00 0.00 C ATOM 877 C ARG A 57 13.803 2.413 0.120 1.00 0.00 C ATOM 878 O ARG A 57 15.001 2.251 -0.087 1.00 0.00 O ATOM 879 CB ARG A 57 12.318 3.419 -1.615 1.00 0.00 C ATOM 880 CG ARG A 57 13.337 3.995 -2.587 1.00 0.00 C ATOM 881 CD ARG A 57 13.514 3.112 -3.810 1.00 0.00 C ATOM 882 NE ARG A 57 12.407 3.259 -4.749 1.00 0.00 N ATOM 883 CZ ARG A 57 11.416 2.382 -4.873 1.00 0.00 C ATOM 884 NH1 ARG A 57 11.372 1.297 -4.101 1.00 0.00 N ATOM 885 NH2 ARG A 57 10.460 2.598 -5.763 1.00 0.00 N ATOM 0 H ARG A 57 11.018 1.938 0.179 1.00 0.00 H new ATOM 0 HA ARG A 57 13.229 1.496 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.382 3.241 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.110 4.156 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.019 4.989 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.296 4.112 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.450 3.365 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.590 2.070 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 57 12.393 4.085 -5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.103 1.134 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.608 0.629 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.487 3.433 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.696 1.929 -5.864 1.00 0.00 H new ATOM 899 N ARG A 58 13.326 2.821 1.283 1.00 0.00 N ATOM 900 CA ARG A 58 14.211 3.111 2.400 1.00 0.00 C ATOM 901 C ARG A 58 14.824 1.822 2.927 1.00 0.00 C ATOM 902 O ARG A 58 16.003 1.780 3.277 1.00 0.00 O ATOM 903 CB ARG A 58 13.456 3.834 3.519 1.00 0.00 C ATOM 904 CG ARG A 58 12.826 5.154 3.094 1.00 0.00 C ATOM 905 CD ARG A 58 13.833 6.059 2.404 1.00 0.00 C ATOM 906 NE ARG A 58 13.350 7.436 2.276 1.00 0.00 N ATOM 907 CZ ARG A 58 14.034 8.504 2.696 1.00 0.00 C ATOM 908 NH1 ARG A 58 15.187 8.349 3.333 1.00 0.00 N ATOM 909 NH2 ARG A 58 13.556 9.727 2.499 1.00 0.00 N ATOM 0 H ARG A 58 12.335 2.959 1.479 1.00 0.00 H new ATOM 0 HA ARG A 58 15.008 3.766 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.674 3.176 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.143 4.021 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.991 4.959 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.419 5.662 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.766 6.055 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.056 5.662 1.414 1.00 0.00 H new ATOM 0 HE ARG A 58 12.440 7.588 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.554 7.413 3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.707 9.166 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.662 9.855 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.083 10.539 2.822 1.00 0.00 H new ATOM 923 N ASP A 59 14.044 0.749 2.889 1.00 0.00 N ATOM 924 CA ASP A 59 14.534 -0.556 3.298 1.00 0.00 C ATOM 925 C ASP A 59 15.318 -1.193 2.164 1.00 0.00 C ATOM 926 O ASP A 59 16.283 -1.924 2.402 1.00 0.00 O ATOM 927 CB ASP A 59 13.378 -1.465 3.719 1.00 0.00 C ATOM 928 CG ASP A 59 12.498 -0.865 4.807 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.041 -0.160 5.700 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.262 -1.086 4.773 1.00 0.00 O ATOM 0 H ASP A 59 13.072 0.759 2.580 1.00 0.00 H new ATOM 0 HA ASP A 59 15.192 -0.424 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.763 -1.685 2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.782 -2.414 4.072 1.00 0.00 H new ATOM 935 N TYR A 60 14.999 -0.794 0.934 1.00 0.00 N ATOM 936 CA TYR A 60 15.778 -1.207 -0.224 1.00 0.00 C ATOM 937 C TYR A 60 17.195 -0.656 -0.094 1.00 0.00 C ATOM 938 O TYR A 60 18.165 -1.304 -0.484 1.00 0.00 O ATOM 939 CB TYR A 60 15.126 -0.715 -1.534 1.00 0.00 C ATOM 940 CG TYR A 60 16.104 -0.132 -2.536 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.473 1.209 -2.479 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.699 -0.935 -3.501 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.413 1.723 -3.343 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.630 -0.419 -4.381 1.00 0.00 C ATOM 945 CZ TYR A 60 17.988 0.909 -4.291 1.00 0.00 C ATOM 946 OH TYR A 60 18.944 1.421 -5.134 1.00 0.00 O ATOM 0 H TYR A 60 14.208 -0.187 0.717 1.00 0.00 H new ATOM 0 HA TYR A 60 15.811 -2.296 -0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.600 -1.548 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.378 0.040 -1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.015 1.856 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.429 -1.979 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.698 2.763 -3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.075 -1.052 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 60 19.806 1.456 -4.668 1.00 0.00 H new ATOM 956 N LEU A 61 17.301 0.559 0.440 1.00 0.00 N ATOM 957 CA LEU A 61 18.581 1.241 0.563 1.00 0.00 C ATOM 958 C LEU A 61 19.520 0.534 1.537 1.00 0.00 C ATOM 959 O LEU A 61 20.709 0.831 1.577 1.00 0.00 O ATOM 960 CB LEU A 61 18.362 2.690 0.992 1.00 0.00 C ATOM 961 CG LEU A 61 19.050 3.734 0.115 1.00 0.00 C ATOM 962 CD1 LEU A 61 18.087 4.857 -0.217 1.00 0.00 C ATOM 963 CD2 LEU A 61 20.287 4.283 0.808 1.00 0.00 C ATOM 0 H LEU A 61 16.508 1.092 0.796 1.00 0.00 H new ATOM 0 HA LEU A 61 19.059 1.221 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.291 2.893 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.716 2.807 2.016 1.00 0.00 H new ATOM 0 HG LEU A 61 19.361 3.255 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.590 5.595 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.227 4.453 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.750 5.332 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.764 5.025 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.000 4.748 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.986 3.470 1.003 1.00 0.00 H new ATOM 975 N ARG A 62 19.012 -0.446 2.273 1.00 0.00 N ATOM 976 CA ARG A 62 19.869 -1.224 3.154 1.00 0.00 C ATOM 977 C ARG A 62 20.710 -2.221 2.353 1.00 0.00 C ATOM 978 O ARG A 62 21.768 -2.658 2.802 1.00 0.00 O ATOM 979 CB ARG A 62 19.042 -1.954 4.206 1.00 0.00 C ATOM 980 CG ARG A 62 19.448 -1.611 5.631 1.00 0.00 C ATOM 981 CD ARG A 62 19.455 -0.106 5.862 1.00 0.00 C ATOM 982 NE ARG A 62 20.810 0.459 5.825 1.00 0.00 N ATOM 983 CZ ARG A 62 21.110 1.701 6.200 1.00 0.00 C ATOM 984 NH1 ARG A 62 20.158 2.532 6.606 1.00 0.00 N ATOM 985 NH2 ARG A 62 22.369 2.125 6.155 1.00 0.00 N ATOM 0 H ARG A 62 18.029 -0.717 2.278 1.00 0.00 H new ATOM 0 HA ARG A 62 20.543 -0.535 3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.989 -1.709 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.141 -3.029 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.759 -2.084 6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 62 20.439 -2.016 5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.841 0.378 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.999 0.113 6.828 1.00 0.00 H new ATOM 0 HE ARG A 62 21.568 -0.137 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.187 2.221 6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 62 20.398 3.482 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 62 23.107 1.499 5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 62 22.597 3.077 6.443 1.00 0.00 H new ATOM 999 N LEU A 63 20.265 -2.530 1.142 1.00 0.00 N ATOM 1000 CA LEU A 63 21.011 -3.419 0.254 1.00 0.00 C ATOM 1001 C LEU A 63 21.450 -2.681 -1.008 1.00 0.00 C ATOM 1002 O LEU A 63 22.611 -2.752 -1.406 1.00 0.00 O ATOM 1003 CB LEU A 63 20.185 -4.656 -0.115 1.00 0.00 C ATOM 1004 CG LEU A 63 18.678 -4.526 0.093 1.00 0.00 C ATOM 1005 CD1 LEU A 63 17.928 -4.963 -1.156 1.00 0.00 C ATOM 1006 CD2 LEU A 63 18.244 -5.346 1.297 1.00 0.00 C ATOM 0 H LEU A 63 19.391 -2.179 0.750 1.00 0.00 H new ATOM 0 HA LEU A 63 21.900 -3.751 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.370 -4.896 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 63 20.544 -5.500 0.474 1.00 0.00 H new ATOM 0 HG LEU A 63 18.439 -3.480 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.855 -4.864 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 63 18.224 -4.336 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 63 18.166 -6.003 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 63 17.168 -5.246 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 63 18.493 -6.394 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 63 18.760 -4.986 2.187 1.00 0.00 H new ATOM 1018 N GLY A 64 20.548 -1.879 -1.564 1.00 0.00 N ATOM 1019 CA GLY A 64 20.882 -1.055 -2.714 1.00 0.00 C ATOM 1020 C GLY A 64 21.492 0.266 -2.295 1.00 0.00 C ATOM 1021 O GLY A 64 21.443 1.257 -3.028 1.00 0.00 O ATOM 0 H GLY A 64 19.586 -1.784 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.580 -1.592 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.984 -0.871 -3.304 1.00 0.00 H new ATOM 1025 N GLY A 65 22.049 0.269 -1.097 1.00 0.00 N ATOM 1026 CA GLY A 65 22.664 1.450 -0.535 1.00 0.00 C ATOM 1027 C GLY A 65 24.167 1.416 -0.673 1.00 0.00 C ATOM 1028 O GLY A 65 24.878 1.547 0.320 1.00 0.00 O ATOM 0 H GLY A 65 22.086 -0.549 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 65 22.273 2.337 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.397 1.533 0.519 1.00 0.00 H new ATOM 1032 N SER A 66 24.628 1.043 -1.866 1.00 0.00 N ATOM 1033 CA SER A 66 26.045 0.817 -2.166 1.00 0.00 C ATOM 1034 C SER A 66 26.973 1.917 -1.623 1.00 0.00 C ATOM 1035 O SER A 66 28.165 1.681 -1.419 1.00 0.00 O ATOM 1036 CB SER A 66 26.202 0.704 -3.681 1.00 0.00 C ATOM 1037 OG SER A 66 24.932 0.796 -4.319 1.00 0.00 O ATOM 0 H SER A 66 24.017 0.886 -2.668 1.00 0.00 H new ATOM 0 HA SER A 66 26.346 -0.102 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 66 26.857 1.495 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 66 26.676 -0.244 -3.934 1.00 0.00 H new ATOM 0 HG SER A 66 25.047 0.724 -5.289 1.00 0.00 H new ATOM 1043 N GLY A 67 26.421 3.101 -1.364 1.00 0.00 N ATOM 1044 CA GLY A 67 27.207 4.187 -0.806 1.00 0.00 C ATOM 1045 C GLY A 67 27.593 3.946 0.647 1.00 0.00 C ATOM 1046 O GLY A 67 28.423 4.668 1.202 1.00 0.00 O ATOM 0 H GLY A 67 25.441 3.327 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 67 28.111 4.319 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 67 26.640 5.115 -0.878 1.00 0.00 H new ATOM 1050 N GLY A 68 26.994 2.929 1.255 1.00 0.00 N ATOM 1051 CA GLY A 68 27.296 2.581 2.631 1.00 0.00 C ATOM 1052 C GLY A 68 26.605 3.487 3.626 1.00 0.00 C ATOM 1053 O GLY A 68 25.380 3.599 3.627 1.00 0.00 O ATOM 0 H GLY A 68 26.295 2.332 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 68 26.996 1.549 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 68 28.374 2.632 2.786 1.00 0.00 H new ATOM 1057 N HIS A 69 27.395 4.166 4.440 1.00 0.00 N ATOM 1058 CA HIS A 69 26.862 5.100 5.421 1.00 0.00 C ATOM 1059 C HIS A 69 26.758 6.485 4.809 1.00 0.00 C ATOM 1060 O HIS A 69 25.792 7.210 5.042 1.00 0.00 O ATOM 1061 CB HIS A 69 27.761 5.146 6.656 1.00 0.00 C ATOM 1062 CG HIS A 69 27.054 4.784 7.930 1.00 0.00 C ATOM 1063 ND1 HIS A 69 27.644 4.981 9.157 1.00 0.00 N ATOM 1064 CD2 HIS A 69 25.818 4.259 8.112 1.00 0.00 C ATOM 1065 CE1 HIS A 69 26.757 4.575 10.053 1.00 0.00 C ATOM 1066 NE2 HIS A 69 25.638 4.128 9.469 1.00 0.00 N ATOM 0 H HIS A 69 28.412 4.088 4.442 1.00 0.00 H new ATOM 0 HA HIS A 69 25.870 4.763 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 69 28.599 4.465 6.510 1.00 0.00 H new ATOM 0 HB3 HIS A 69 28.178 6.148 6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 69 25.111 3.994 7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 69 26.916 4.601 11.121 1.00 0.00 H new ATOM 0 HE2 HIS A 69 24.811 3.761 9.940 1.00 0.00 H new ATOM 1074 N MET A 70 27.758 6.831 4.010 1.00 0.00 N ATOM 1075 CA MET A 70 27.786 8.115 3.321 1.00 0.00 C ATOM 1076 C MET A 70 26.608 8.232 2.368 1.00 0.00 C ATOM 1077 O MET A 70 25.798 9.155 2.474 1.00 0.00 O ATOM 1078 CB MET A 70 29.089 8.268 2.538 1.00 0.00 C ATOM 1079 CG MET A 70 30.300 8.540 3.409 1.00 0.00 C ATOM 1080 SD MET A 70 31.451 9.697 2.642 1.00 0.00 S ATOM 1081 CE MET A 70 32.985 8.790 2.809 1.00 0.00 C ATOM 0 H MET A 70 28.565 6.237 3.822 1.00 0.00 H new ATOM 0 HA MET A 70 27.720 8.905 4.069 1.00 0.00 H new ATOM 0 HB2 MET A 70 29.264 7.359 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 70 28.978 9.083 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 70 29.972 8.940 4.368 1.00 0.00 H new ATOM 0 HG3 MET A 70 30.815 7.601 3.614 1.00 0.00 H new ATOM 0 HE1 MET A 70 33.801 9.373 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 70 33.186 8.606 3.864 1.00 0.00 H new ATOM 0 HE3 MET A 70 32.904 7.838 2.284 1.00 0.00 H new ATOM 1091 N GLY A 71 26.514 7.281 1.446 1.00 0.00 N ATOM 1092 CA GLY A 71 25.429 7.273 0.485 1.00 0.00 C ATOM 1093 C GLY A 71 25.417 8.519 -0.375 1.00 0.00 C ATOM 1094 O GLY A 71 24.378 9.149 -0.548 1.00 0.00 O ATOM 0 H GLY A 71 27.175 6.511 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 71 25.518 6.394 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 71 24.479 7.189 1.013 1.00 0.00 H new ATOM 1098 N SER A 72 26.578 8.903 -0.878 1.00 0.00 N ATOM 1099 CA SER A 72 26.701 10.100 -1.699 1.00 0.00 C ATOM 1100 C SER A 72 26.927 9.718 -3.157 1.00 0.00 C ATOM 1101 O SER A 72 27.936 10.087 -3.762 1.00 0.00 O ATOM 1102 CB SER A 72 27.855 10.963 -1.184 1.00 0.00 C ATOM 1103 OG SER A 72 28.313 10.493 0.075 1.00 0.00 O ATOM 0 H SER A 72 27.454 8.402 -0.732 1.00 0.00 H new ATOM 0 HA SER A 72 25.777 10.674 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 72 28.674 10.949 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 72 27.528 11.999 -1.094 1.00 0.00 H new ATOM 0 HG SER A 72 29.052 11.057 0.386 1.00 0.00 H new ATOM 1109 N GLY A 73 26.026 8.905 -3.687 1.00 0.00 N ATOM 1110 CA GLY A 73 26.184 8.397 -5.035 1.00 0.00 C ATOM 1111 C GLY A 73 25.869 9.431 -6.097 1.00 0.00 C ATOM 1112 O GLY A 73 26.637 9.615 -7.043 1.00 0.00 O ATOM 0 H GLY A 73 25.185 8.586 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.208 8.047 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 73 25.532 7.534 -5.171 1.00 0.00 H new ATOM 1116 N GLY A 74 24.714 10.067 -5.971 1.00 0.00 N ATOM 1117 CA GLY A 74 24.282 11.028 -6.968 1.00 0.00 C ATOM 1118 C GLY A 74 23.711 10.344 -8.193 1.00 0.00 C ATOM 1119 O GLY A 74 22.496 10.307 -8.381 1.00 0.00 O ATOM 0 H GLY A 74 24.066 9.935 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 74 23.530 11.688 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 74 25.125 11.654 -7.260 1.00 0.00 H new ATOM 1123 N ASP A 75 24.582 9.707 -8.960 1.00 0.00 N ATOM 1124 CA ASP A 75 24.170 8.928 -10.121 1.00 0.00 C ATOM 1125 C ASP A 75 24.915 7.600 -10.141 1.00 0.00 C ATOM 1126 O ASP A 75 26.129 7.562 -10.359 1.00 0.00 O ATOM 1127 CB ASP A 75 24.441 9.704 -11.413 1.00 0.00 C ATOM 1128 CG ASP A 75 24.067 8.924 -12.660 1.00 0.00 C ATOM 1129 OD1 ASP A 75 23.031 8.228 -12.651 1.00 0.00 O ATOM 1130 OD2 ASP A 75 24.796 9.025 -13.671 1.00 0.00 O ATOM 0 H ASP A 75 25.589 9.714 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 75 23.099 8.737 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 75 23.881 10.639 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.498 9.967 -11.458 1.00 0.00 H new ATOM 1135 N VAL A 76 24.208 6.530 -9.819 1.00 0.00 N ATOM 1136 CA VAL A 76 24.813 5.208 -9.744 1.00 0.00 C ATOM 1137 C VAL A 76 24.274 4.317 -10.855 1.00 0.00 C ATOM 1138 O VAL A 76 23.073 4.040 -10.911 1.00 0.00 O ATOM 1139 CB VAL A 76 24.552 4.530 -8.379 1.00 0.00 C ATOM 1140 CG1 VAL A 76 25.688 3.581 -8.030 1.00 0.00 C ATOM 1141 CG2 VAL A 76 24.366 5.566 -7.280 1.00 0.00 C ATOM 0 H VAL A 76 23.211 6.550 -9.604 1.00 0.00 H new ATOM 0 HA VAL A 76 25.889 5.340 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 76 23.630 3.954 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 76 25.488 3.113 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 76 25.768 2.811 -8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 76 26.623 4.138 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 76 24.184 5.061 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 76 25.265 6.177 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.515 6.203 -7.521 1.00 0.00 H new ATOM 1151 N MET A 77 25.145 3.940 -11.781 1.00 0.00 N ATOM 1152 CA MET A 77 24.737 3.154 -12.939 1.00 0.00 C ATOM 1153 C MET A 77 24.390 1.721 -12.551 1.00 0.00 C ATOM 1154 O MET A 77 25.266 0.857 -12.473 1.00 0.00 O ATOM 1155 CB MET A 77 25.845 3.153 -13.982 1.00 0.00 C ATOM 1156 CG MET A 77 26.123 4.530 -14.539 1.00 0.00 C ATOM 1157 SD MET A 77 26.950 4.473 -16.138 1.00 0.00 S ATOM 1158 CE MET A 77 25.592 4.914 -17.216 1.00 0.00 C ATOM 0 H MET A 77 26.139 4.166 -11.753 1.00 0.00 H new ATOM 0 HA MET A 77 23.841 3.615 -13.356 1.00 0.00 H new ATOM 0 HB2 MET A 77 26.757 2.755 -13.537 1.00 0.00 H new ATOM 0 HB3 MET A 77 25.570 2.484 -14.798 1.00 0.00 H new ATOM 0 HG2 MET A 77 25.184 5.075 -14.638 1.00 0.00 H new ATOM 0 HG3 MET A 77 26.741 5.086 -13.834 1.00 0.00 H new ATOM 0 HE1 MET A 77 25.937 4.925 -18.250 1.00 0.00 H new ATOM 0 HE2 MET A 77 24.790 4.184 -17.108 1.00 0.00 H new ATOM 0 HE3 MET A 77 25.220 5.903 -16.947 1.00 0.00 H new ATOM 1168 N VAL A 78 23.098 1.462 -12.385 1.00 0.00 N ATOM 1169 CA VAL A 78 22.587 0.127 -12.074 1.00 0.00 C ATOM 1170 C VAL A 78 21.074 0.113 -12.237 1.00 0.00 C ATOM 1171 O VAL A 78 20.494 1.070 -12.752 1.00 0.00 O ATOM 1172 CB VAL A 78 22.925 -0.340 -10.631 1.00 0.00 C ATOM 1173 CG1 VAL A 78 24.123 -1.278 -10.624 1.00 0.00 C ATOM 1174 CG2 VAL A 78 23.154 0.838 -9.693 1.00 0.00 C ATOM 0 H VAL A 78 22.371 2.173 -12.462 1.00 0.00 H new ATOM 0 HA VAL A 78 23.074 -0.559 -12.767 1.00 0.00 H new ATOM 0 HB VAL A 78 22.060 -0.890 -10.261 1.00 0.00 H new ATOM 0 HG11 VAL A 78 24.336 -1.588 -9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 78 23.901 -2.156 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 78 24.991 -0.763 -11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.388 0.468 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.985 1.440 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 78 22.253 1.450 -9.651 1.00 0.00 H new ATOM 1184 N VAL A 79 20.432 -0.887 -11.656 1.00 0.00 N ATOM 1185 CA VAL A 79 18.978 -0.932 -11.601 1.00 0.00 C ATOM 1186 C VAL A 79 18.535 -0.697 -10.163 1.00 0.00 C ATOM 1187 O VAL A 79 17.657 -1.382 -9.640 1.00 0.00 O ATOM 1188 CB VAL A 79 18.406 -2.276 -12.119 1.00 0.00 C ATOM 1189 CG1 VAL A 79 16.928 -2.143 -12.465 1.00 0.00 C ATOM 1190 CG2 VAL A 79 19.189 -2.763 -13.329 1.00 0.00 C ATOM 0 H VAL A 79 20.895 -1.681 -11.214 1.00 0.00 H new ATOM 0 HA VAL A 79 18.590 -0.152 -12.256 1.00 0.00 H new ATOM 0 HB VAL A 79 18.506 -3.012 -11.321 1.00 0.00 H new ATOM 0 HG11 VAL A 79 16.551 -3.100 -12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.372 -1.846 -11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.802 -1.388 -13.241 1.00 0.00 H new ATOM 0 HG21 VAL A 79 18.771 -3.708 -13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.125 -2.022 -14.126 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.233 -2.908 -13.052 1.00 0.00 H new ATOM 1200 N GLY A 80 19.234 0.212 -9.498 1.00 0.00 N ATOM 1201 CA GLY A 80 18.964 0.477 -8.101 1.00 0.00 C ATOM 1202 C GLY A 80 17.910 1.541 -7.910 1.00 0.00 C ATOM 1203 O GLY A 80 16.779 1.232 -7.527 1.00 0.00 O ATOM 0 H GLY A 80 19.985 0.771 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.639 -0.443 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.885 0.789 -7.609 1.00 0.00 H new ATOM 1207 N GLU A 81 18.284 2.786 -8.198 1.00 0.00 N ATOM 1208 CA GLU A 81 17.387 3.935 -8.061 1.00 0.00 C ATOM 1209 C GLU A 81 16.949 4.128 -6.604 1.00 0.00 C ATOM 1210 O GLU A 81 15.886 3.659 -6.191 1.00 0.00 O ATOM 1211 CB GLU A 81 16.170 3.778 -8.978 1.00 0.00 C ATOM 1212 CG GLU A 81 16.382 4.355 -10.369 1.00 0.00 C ATOM 1213 CD GLU A 81 16.142 3.342 -11.468 1.00 0.00 C ATOM 1214 OE1 GLU A 81 15.229 2.504 -11.327 1.00 0.00 O ATOM 1215 OE2 GLU A 81 16.854 3.387 -12.493 1.00 0.00 O ATOM 0 H GLU A 81 19.217 3.028 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 81 17.935 4.828 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 81 15.925 2.720 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 81 15.312 4.267 -8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 81 15.713 5.204 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.400 4.735 -10.448 1.00 0.00 H new ATOM 1222 N PRO A 82 17.816 4.733 -5.780 1.00 0.00 N ATOM 1223 CA PRO A 82 17.577 4.900 -4.351 1.00 0.00 C ATOM 1224 C PRO A 82 16.910 6.232 -3.998 1.00 0.00 C ATOM 1225 O PRO A 82 16.955 7.194 -4.768 1.00 0.00 O ATOM 1226 CB PRO A 82 18.993 4.839 -3.749 1.00 0.00 C ATOM 1227 CG PRO A 82 19.948 4.817 -4.908 1.00 0.00 C ATOM 1228 CD PRO A 82 19.158 5.181 -6.133 1.00 0.00 C ATOM 0 HA PRO A 82 16.891 4.142 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 82 19.180 5.701 -3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 82 19.114 3.950 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 82 20.763 5.524 -4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 82 20.398 3.831 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 82 19.190 6.252 -6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.534 4.678 -7.024 1.00 0.00 H new ATOM 1236 N THR A 83 16.339 6.288 -2.798 1.00 0.00 N ATOM 1237 CA THR A 83 15.704 7.497 -2.290 1.00 0.00 C ATOM 1238 C THR A 83 16.750 8.498 -1.804 1.00 0.00 C ATOM 1239 O THR A 83 17.903 8.133 -1.587 1.00 0.00 O ATOM 1240 CB THR A 83 14.760 7.161 -1.127 1.00 0.00 C ATOM 1241 OG1 THR A 83 15.024 5.828 -0.656 1.00 0.00 O ATOM 1242 CG2 THR A 83 13.308 7.276 -1.560 1.00 0.00 C ATOM 0 H THR A 83 16.304 5.498 -2.153 1.00 0.00 H new ATOM 0 HA THR A 83 15.135 7.939 -3.108 1.00 0.00 H new ATOM 0 HB THR A 83 14.937 7.873 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.619 5.868 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.657 7.033 -0.720 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.107 8.294 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.117 6.583 -2.379 1.00 0.00 H new ATOM 1250 N LEU A 84 16.339 9.741 -1.590 1.00 0.00 N ATOM 1251 CA LEU A 84 17.250 10.777 -1.118 1.00 0.00 C ATOM 1252 C LEU A 84 17.729 10.487 0.305 1.00 0.00 C ATOM 1253 O LEU A 84 17.024 10.758 1.275 1.00 0.00 O ATOM 1254 CB LEU A 84 16.561 12.144 -1.164 1.00 0.00 C ATOM 1255 CG LEU A 84 16.442 12.771 -2.554 1.00 0.00 C ATOM 1256 CD1 LEU A 84 15.025 12.630 -3.090 1.00 0.00 C ATOM 1257 CD2 LEU A 84 16.844 14.235 -2.508 1.00 0.00 C ATOM 0 H LEU A 84 15.380 10.057 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 84 18.119 10.786 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.561 12.042 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.110 12.831 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 84 17.117 12.242 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.964 13.083 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.765 11.574 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.330 13.132 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.754 14.668 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.190 14.770 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.876 14.318 -2.168 1.00 0.00 H new ATOM 1269 N MET A 85 18.928 9.925 0.423 1.00 0.00 N ATOM 1270 CA MET A 85 19.492 9.600 1.727 1.00 0.00 C ATOM 1271 C MET A 85 20.696 10.486 2.030 1.00 0.00 C ATOM 1272 O MET A 85 20.785 11.085 3.102 1.00 0.00 O ATOM 1273 CB MET A 85 19.905 8.131 1.773 1.00 0.00 C ATOM 1274 CG MET A 85 20.692 7.763 3.019 1.00 0.00 C ATOM 1275 SD MET A 85 22.436 7.455 2.669 1.00 0.00 S ATOM 1276 CE MET A 85 22.640 5.816 3.361 1.00 0.00 C ATOM 0 H MET A 85 19.526 9.686 -0.368 1.00 0.00 H new ATOM 0 HA MET A 85 18.728 9.780 2.483 1.00 0.00 H new ATOM 0 HB2 MET A 85 19.012 7.509 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 85 20.506 7.903 0.893 1.00 0.00 H new ATOM 0 HG2 MET A 85 20.608 8.568 3.749 1.00 0.00 H new ATOM 0 HG3 MET A 85 20.253 6.874 3.473 1.00 0.00 H new ATOM 0 HE1 MET A 85 23.696 5.636 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 85 22.073 5.740 4.289 1.00 0.00 H new ATOM 0 HE3 MET A 85 22.275 5.073 2.651 1.00 0.00 H new ATOM 1286 N GLY A 86 21.599 10.598 1.068 1.00 0.00 N ATOM 1287 CA GLY A 86 22.778 11.419 1.251 1.00 0.00 C ATOM 1288 C GLY A 86 23.072 12.268 0.035 1.00 0.00 C ATOM 1289 O GLY A 86 22.714 13.444 -0.006 1.00 0.00 O ATOM 0 H GLY A 86 21.536 10.134 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 86 22.639 12.064 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.635 10.780 1.463 1.00 0.00 H new ATOM 1293 N GLY A 87 23.655 11.651 -0.987 1.00 0.00 N ATOM 1294 CA GLY A 87 23.952 12.354 -2.222 1.00 0.00 C ATOM 1295 C GLY A 87 22.745 12.456 -3.132 1.00 0.00 C ATOM 1296 O GLY A 87 22.865 12.263 -4.339 1.00 0.00 O ATOM 0 H GLY A 87 23.929 10.669 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 87 24.314 13.355 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 87 24.757 11.838 -2.746 1.00 0.00 H new ATOM 1300 N GLU A 88 21.628 12.872 -2.535 1.00 0.00 N ATOM 1301 CA GLU A 88 20.363 13.157 -3.213 1.00 0.00 C ATOM 1302 C GLU A 88 20.212 12.496 -4.584 1.00 0.00 C ATOM 1303 O GLU A 88 20.366 13.148 -5.620 1.00 0.00 O ATOM 1304 CB GLU A 88 20.218 14.665 -3.340 1.00 0.00 C ATOM 1305 CG GLU A 88 20.509 15.403 -2.046 1.00 0.00 C ATOM 1306 CD GLU A 88 21.707 16.321 -2.157 1.00 0.00 C ATOM 1307 OE1 GLU A 88 22.631 16.017 -2.943 1.00 0.00 O ATOM 1308 OE2 GLU A 88 21.723 17.363 -1.474 1.00 0.00 O ATOM 0 H GLU A 88 21.577 13.026 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 88 19.570 12.725 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.894 15.025 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.205 14.900 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.634 15.987 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 88 20.683 14.679 -1.250 1.00 0.00 H new ATOM 1315 N PHE A 89 19.826 11.228 -4.583 1.00 0.00 N ATOM 1316 CA PHE A 89 19.553 10.514 -5.824 1.00 0.00 C ATOM 1317 C PHE A 89 18.103 10.745 -6.247 1.00 0.00 C ATOM 1318 O PHE A 89 17.509 11.773 -5.921 1.00 0.00 O ATOM 1319 CB PHE A 89 19.821 9.012 -5.662 1.00 0.00 C ATOM 1320 CG PHE A 89 20.692 8.676 -4.487 1.00 0.00 C ATOM 1321 CD1 PHE A 89 22.043 8.974 -4.504 1.00 0.00 C ATOM 1322 CD2 PHE A 89 20.159 8.073 -3.362 1.00 0.00 C ATOM 1323 CE1 PHE A 89 22.841 8.681 -3.419 1.00 0.00 C ATOM 1324 CE2 PHE A 89 20.954 7.781 -2.274 1.00 0.00 C ATOM 1325 CZ PHE A 89 22.294 8.084 -2.304 1.00 0.00 C ATOM 0 H PHE A 89 19.695 10.672 -3.738 1.00 0.00 H new ATOM 0 HA PHE A 89 20.220 10.898 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 89 18.869 8.492 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 89 20.291 8.636 -6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.477 9.441 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 89 19.107 7.828 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.894 8.919 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 89 20.524 7.315 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.919 7.854 -1.453 1.00 0.00 H new ATOM 1335 N GLY A 90 17.535 9.784 -6.953 1.00 0.00 N ATOM 1336 CA GLY A 90 16.168 9.900 -7.402 1.00 0.00 C ATOM 1337 C GLY A 90 15.744 8.685 -8.184 1.00 0.00 C ATOM 1338 O GLY A 90 16.242 8.447 -9.287 1.00 0.00 O ATOM 0 H GLY A 90 18.001 8.919 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.510 10.030 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.061 10.790 -8.022 1.00 0.00 H new ATOM 1342 N ASP A 91 14.891 7.872 -7.587 1.00 0.00 N ATOM 1343 CA ASP A 91 14.442 6.646 -8.222 1.00 0.00 C ATOM 1344 C ASP A 91 13.519 6.959 -9.382 1.00 0.00 C ATOM 1345 O ASP A 91 13.735 6.496 -10.506 1.00 0.00 O ATOM 1346 CB ASP A 91 13.748 5.712 -7.213 1.00 0.00 C ATOM 1347 CG ASP A 91 12.498 6.268 -6.552 1.00 0.00 C ATOM 1348 OD1 ASP A 91 12.426 7.494 -6.325 1.00 0.00 O ATOM 1349 OD2 ASP A 91 11.588 5.467 -6.255 1.00 0.00 O ATOM 0 H ASP A 91 14.495 8.039 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 91 15.320 6.126 -8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.485 4.786 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.464 5.453 -6.433 1.00 0.00 H new ATOM 1354 N GLU A 92 12.431 7.643 -9.055 1.00 0.00 N ATOM 1355 CA GLU A 92 11.366 7.978 -10.010 1.00 0.00 C ATOM 1356 C GLU A 92 10.496 6.757 -10.260 1.00 0.00 C ATOM 1357 O GLU A 92 9.395 6.856 -10.794 1.00 0.00 O ATOM 1358 CB GLU A 92 11.931 8.508 -11.325 1.00 0.00 C ATOM 1359 CG GLU A 92 12.420 9.945 -11.244 1.00 0.00 C ATOM 1360 CD GLU A 92 13.732 10.158 -11.967 1.00 0.00 C ATOM 1361 OE1 GLU A 92 13.838 9.756 -13.146 1.00 0.00 O ATOM 1362 OE2 GLU A 92 14.662 10.736 -11.370 1.00 0.00 O ATOM 0 H GLU A 92 12.255 7.988 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 92 10.760 8.772 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.757 7.870 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.163 8.438 -12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.664 10.606 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.537 10.226 -10.197 1.00 0.00 H new ATOM 1369 N ASP A 93 10.929 5.652 -9.681 1.00 0.00 N ATOM 1370 CA ASP A 93 10.155 4.419 -9.641 1.00 0.00 C ATOM 1371 C ASP A 93 9.192 4.480 -8.460 1.00 0.00 C ATOM 1372 O ASP A 93 8.861 3.466 -7.851 1.00 0.00 O ATOM 1373 CB ASP A 93 11.101 3.223 -9.478 1.00 0.00 C ATOM 1374 CG ASP A 93 10.794 2.076 -10.422 1.00 0.00 C ATOM 1375 OD1 ASP A 93 9.750 2.118 -11.105 1.00 0.00 O ATOM 1376 OD2 ASP A 93 11.605 1.128 -10.485 1.00 0.00 O ATOM 0 H ASP A 93 11.836 5.582 -9.220 1.00 0.00 H new ATOM 0 HA ASP A 93 9.593 4.303 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.126 3.555 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.045 2.863 -8.451 1.00 0.00 H new ATOM 1381 N GLU A 94 8.904 5.701 -8.032 1.00 0.00 N ATOM 1382 CA GLU A 94 8.153 5.946 -6.811 1.00 0.00 C ATOM 1383 C GLU A 94 6.655 5.747 -7.011 1.00 0.00 C ATOM 1384 O GLU A 94 5.856 6.646 -6.737 1.00 0.00 O ATOM 1385 CB GLU A 94 8.429 7.360 -6.285 1.00 0.00 C ATOM 1386 CG GLU A 94 9.187 8.247 -7.262 1.00 0.00 C ATOM 1387 CD GLU A 94 8.741 9.692 -7.206 1.00 0.00 C ATOM 1388 OE1 GLU A 94 7.572 9.970 -7.546 1.00 0.00 O ATOM 1389 OE2 GLU A 94 9.552 10.557 -6.820 1.00 0.00 O ATOM 0 H GLU A 94 9.185 6.550 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 94 8.489 5.216 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.480 7.837 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.999 7.287 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.254 8.192 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.048 7.867 -8.274 1.00 0.00 H new ATOM 1396 N ARG A 95 6.266 4.534 -7.359 1.00 0.00 N ATOM 1397 CA ARG A 95 4.858 4.198 -7.440 1.00 0.00 C ATOM 1398 C ARG A 95 4.368 3.699 -6.092 1.00 0.00 C ATOM 1399 O ARG A 95 4.401 2.498 -5.808 1.00 0.00 O ATOM 1400 CB ARG A 95 4.603 3.144 -8.515 1.00 0.00 C ATOM 1401 CG ARG A 95 3.153 3.086 -8.968 1.00 0.00 C ATOM 1402 CD ARG A 95 2.892 4.028 -10.132 1.00 0.00 C ATOM 1403 NE ARG A 95 2.991 5.433 -9.742 1.00 0.00 N ATOM 1404 CZ ARG A 95 3.995 6.233 -10.097 1.00 0.00 C ATOM 1405 NH1 ARG A 95 4.977 5.778 -10.866 1.00 0.00 N ATOM 1406 NH2 ARG A 95 4.014 7.489 -9.680 1.00 0.00 N ATOM 0 H ARG A 95 6.901 3.770 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 95 4.307 5.098 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.237 3.353 -9.376 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.896 2.166 -8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.903 2.066 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.500 3.347 -8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.607 3.823 -10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.899 3.835 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 95 2.247 5.824 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.966 4.810 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.743 6.396 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.261 7.841 -9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.781 8.104 -9.950 1.00 0.00 H new ATOM 1420 N LEU A 96 3.974 4.636 -5.245 1.00 0.00 N ATOM 1421 CA LEU A 96 3.500 4.316 -3.910 1.00 0.00 C ATOM 1422 C LEU A 96 2.062 3.816 -3.964 1.00 0.00 C ATOM 1423 O LEU A 96 1.429 3.835 -5.023 1.00 0.00 O ATOM 1424 CB LEU A 96 3.623 5.540 -2.997 1.00 0.00 C ATOM 1425 CG LEU A 96 3.057 6.838 -3.567 1.00 0.00 C ATOM 1426 CD1 LEU A 96 1.571 6.912 -3.284 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.778 8.040 -2.979 1.00 0.00 C ATOM 0 H LEU A 96 3.974 5.633 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 96 4.119 3.520 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.116 5.324 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.676 5.694 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 96 3.212 6.850 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.169 7.839 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.069 6.063 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.404 6.887 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.360 8.956 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.652 8.046 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.839 7.982 -3.221 1.00 0.00 H new ATOM 1439 N ILE A 97 1.549 3.378 -2.830 1.00 0.00 N ATOM 1440 CA ILE A 97 0.185 2.881 -2.760 1.00 0.00 C ATOM 1441 C ILE A 97 -0.713 3.848 -2.006 1.00 0.00 C ATOM 1442 O ILE A 97 -0.249 4.642 -1.186 1.00 0.00 O ATOM 1443 CB ILE A 97 0.097 1.497 -2.087 1.00 0.00 C ATOM 1444 CG1 ILE A 97 1.470 1.041 -1.585 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.487 0.480 -3.055 1.00 0.00 C ATOM 1446 CD1 ILE A 97 1.590 1.037 -0.076 1.00 0.00 C ATOM 0 H ILE A 97 2.054 3.356 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.154 2.787 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.563 1.577 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.670 0.037 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.236 1.696 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.544 -0.494 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.486 0.795 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.151 0.409 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.588 0.704 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.421 2.044 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.847 0.360 0.346 1.00 0.00 H new ATOM 1458 N THR A 98 -2.001 3.761 -2.279 1.00 0.00 N ATOM 1459 CA THR A 98 -2.984 4.596 -1.623 1.00 0.00 C ATOM 1460 C THR A 98 -4.129 3.734 -1.092 1.00 0.00 C ATOM 1461 O THR A 98 -4.410 2.655 -1.628 1.00 0.00 O ATOM 1462 CB THR A 98 -3.524 5.680 -2.591 1.00 0.00 C ATOM 1463 OG1 THR A 98 -4.159 6.738 -1.862 1.00 0.00 O ATOM 1464 CG2 THR A 98 -4.511 5.092 -3.589 1.00 0.00 C ATOM 0 H THR A 98 -2.393 3.111 -2.960 1.00 0.00 H new ATOM 0 HA THR A 98 -2.504 5.103 -0.785 1.00 0.00 H new ATOM 0 HB THR A 98 -2.670 6.079 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.492 7.413 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.870 5.879 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.017 4.319 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.354 4.656 -3.053 1.00 0.00 H new ATOM 1472 N ARG A 99 -4.780 4.207 -0.042 1.00 0.00 N ATOM 1473 CA ARG A 99 -5.915 3.501 0.529 1.00 0.00 C ATOM 1474 C ARG A 99 -7.175 3.904 -0.218 1.00 0.00 C ATOM 1475 O ARG A 99 -7.408 5.091 -0.447 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.059 3.817 2.020 1.00 0.00 C ATOM 1477 CG ARG A 99 -5.103 3.036 2.911 1.00 0.00 C ATOM 1478 CD ARG A 99 -5.785 1.844 3.561 1.00 0.00 C ATOM 1479 NE ARG A 99 -6.814 2.251 4.518 1.00 0.00 N ATOM 1480 CZ ARG A 99 -6.785 1.969 5.820 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -5.728 1.368 6.351 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -7.798 2.324 6.593 1.00 0.00 N ATOM 0 H ARG A 99 -4.542 5.078 0.433 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.755 2.427 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.893 4.883 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.083 3.606 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.254 2.692 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.707 3.694 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.235 1.220 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.039 1.233 4.070 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.607 2.787 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.933 1.120 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.710 1.154 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.599 2.812 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.778 2.109 7.590 1.00 0.00 H new ATOM 1496 N LEU A 100 -7.903 2.926 -0.723 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.040 3.208 -1.575 1.00 0.00 C ATOM 1498 C LEU A 100 -10.297 2.514 -1.085 1.00 0.00 C ATOM 1499 O LEU A 100 -10.255 1.659 -0.198 1.00 0.00 O ATOM 1500 CB LEU A 100 -8.742 2.763 -3.003 1.00 0.00 C ATOM 1501 CG LEU A 100 -9.213 3.722 -4.092 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -8.100 4.690 -4.454 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -9.678 2.949 -5.314 1.00 0.00 C ATOM 0 H LEU A 100 -7.728 1.935 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.213 4.284 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.666 2.622 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.208 1.792 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.058 4.297 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.448 5.370 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.815 5.264 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.237 4.132 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.011 3.648 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.854 2.350 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.504 2.294 -5.037 1.00 0.00 H new ATOM 1515 N GLU A 101 -11.385 2.800 -1.774 1.00 0.00 N ATOM 1516 CA GLU A 101 -12.665 2.156 -1.517 1.00 0.00 C ATOM 1517 C GLU A 101 -13.008 1.223 -2.666 1.00 0.00 C ATOM 1518 O GLU A 101 -12.653 1.503 -3.813 1.00 0.00 O ATOM 1519 CB GLU A 101 -13.781 3.195 -1.335 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.434 4.579 -1.862 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.569 5.219 -2.637 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -14.666 4.983 -3.861 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.358 5.974 -2.034 1.00 0.00 O ATOM 0 H GLU A 101 -11.410 3.485 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.582 1.583 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.679 2.840 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.022 3.272 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.164 5.223 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.557 4.508 -2.505 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.651 0.103 -2.345 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.029 -0.901 -3.345 1.00 0.00 C ATOM 1532 C ASN A 102 -14.904 -0.280 -4.436 1.00 0.00 C ATOM 1533 O ASN A 102 -14.410 0.152 -5.479 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.776 -2.058 -2.667 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.877 -3.295 -3.546 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.319 -3.224 -4.691 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.486 -4.438 -3.001 1.00 0.00 N ATOM 0 H ASN A 102 -13.925 -0.136 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.121 -1.283 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.266 -2.319 -1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.779 -1.727 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.546 -5.305 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.125 -4.451 -2.047 1.00 0.00 H new ATOM 1544 N THR A 103 -16.194 -0.186 -4.162 1.00 0.00 N ATOM 1545 CA THR A 103 -17.131 0.452 -5.063 1.00 0.00 C ATOM 1546 C THR A 103 -18.199 1.176 -4.239 1.00 0.00 C ATOM 1547 O THR A 103 -17.867 1.910 -3.306 1.00 0.00 O ATOM 1548 CB THR A 103 -17.781 -0.570 -6.033 1.00 0.00 C ATOM 1549 OG1 THR A 103 -16.827 -1.576 -6.416 1.00 0.00 O ATOM 1550 CG2 THR A 103 -18.296 0.125 -7.285 1.00 0.00 C ATOM 0 H THR A 103 -16.618 -0.550 -3.309 1.00 0.00 H new ATOM 0 HA THR A 103 -16.591 1.172 -5.678 1.00 0.00 H new ATOM 0 HB THR A 103 -18.617 -1.037 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.571 -2.100 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.747 -0.611 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.043 0.869 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.467 0.616 -7.796 1.00 0.00 H new ATOM 1558 N GLN A 104 -19.462 0.856 -4.463 1.00 0.00 N ATOM 1559 CA GLN A 104 -20.546 1.429 -3.675 1.00 0.00 C ATOM 1560 C GLN A 104 -20.899 0.502 -2.515 1.00 0.00 C ATOM 1561 O GLN A 104 -22.070 0.271 -2.218 1.00 0.00 O ATOM 1562 CB GLN A 104 -21.783 1.683 -4.552 1.00 0.00 C ATOM 1563 CG GLN A 104 -21.777 0.916 -5.868 1.00 0.00 C ATOM 1564 CD GLN A 104 -22.117 -0.550 -5.686 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -21.249 -1.363 -5.362 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -23.374 -0.894 -5.892 1.00 0.00 N ATOM 0 H GLN A 104 -19.765 0.202 -5.185 1.00 0.00 H new ATOM 0 HA GLN A 104 -20.212 2.385 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -22.676 1.412 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -21.852 2.750 -4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -22.494 1.370 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -20.794 1.003 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -24.059 -0.187 -6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -23.661 -1.867 -5.784 1.00 0.00 H new ATOM 1575 N PHE A 105 -19.872 -0.062 -1.891 1.00 0.00 N ATOM 1576 CA PHE A 105 -20.063 -1.010 -0.804 1.00 0.00 C ATOM 1577 C PHE A 105 -20.390 -0.295 0.499 1.00 0.00 C ATOM 1578 O PHE A 105 -21.478 -0.465 1.040 1.00 0.00 O ATOM 1579 CB PHE A 105 -18.818 -1.881 -0.618 1.00 0.00 C ATOM 1580 CG PHE A 105 -19.028 -3.043 0.317 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -19.237 -2.835 1.673 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -19.013 -4.342 -0.161 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -19.426 -3.900 2.531 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -19.204 -5.412 0.693 1.00 0.00 C ATOM 1585 CZ PHE A 105 -19.411 -5.190 2.040 1.00 0.00 C ATOM 0 H PHE A 105 -18.896 0.123 -2.121 1.00 0.00 H new ATOM 0 HA PHE A 105 -20.906 -1.648 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -18.502 -2.260 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.005 -1.262 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.252 -1.828 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -18.850 -4.522 -1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -19.585 -3.724 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -19.191 -6.421 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 105 -19.561 -6.025 2.709 1.00 0.00 H new ATOM 1595 N ASP A 106 -19.394 0.394 1.052 1.00 0.00 N ATOM 1596 CA ASP A 106 -19.527 1.044 2.358 1.00 0.00 C ATOM 1597 C ASP A 106 -20.742 1.952 2.378 1.00 0.00 C ATOM 1598 O ASP A 106 -21.824 1.565 2.828 1.00 0.00 O ATOM 1599 CB ASP A 106 -18.268 1.860 2.674 1.00 0.00 C ATOM 1600 CG ASP A 106 -18.075 2.094 4.160 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -18.728 1.400 4.968 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -17.259 2.966 4.525 1.00 0.00 O ATOM 0 H ASP A 106 -18.481 0.518 0.615 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.652 0.270 3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -17.396 1.341 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -18.327 2.822 2.164 1.00 0.00 H new ATOM 1607 N ALA A 107 -20.581 3.109 1.772 1.00 0.00 N ATOM 1608 CA ALA A 107 -21.675 4.041 1.594 1.00 0.00 C ATOM 1609 C ALA A 107 -21.260 5.126 0.616 1.00 0.00 C ATOM 1610 O ALA A 107 -21.552 6.307 0.802 1.00 0.00 O ATOM 1611 CB ALA A 107 -22.097 4.644 2.926 1.00 0.00 C ATOM 0 H ALA A 107 -19.691 3.430 1.390 1.00 0.00 H new ATOM 0 HA ALA A 107 -22.534 3.507 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -22.920 5.341 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -22.420 3.850 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -21.254 5.174 3.369 1.00 0.00 H new ATOM 1617 N ALA A 108 -20.495 4.715 -0.380 1.00 0.00 N ATOM 1618 CA ALA A 108 -19.945 5.635 -1.355 1.00 0.00 C ATOM 1619 C ALA A 108 -20.754 5.609 -2.638 1.00 0.00 C ATOM 1620 O ALA A 108 -20.953 4.552 -3.232 1.00 0.00 O ATOM 1621 CB ALA A 108 -18.494 5.280 -1.633 1.00 0.00 C ATOM 0 H ALA A 108 -20.240 3.740 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 108 -19.993 6.645 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -18.084 5.974 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -17.920 5.347 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -18.436 4.264 -2.023 1.00 0.00 H new ATOM 1627 N ASN A 109 -21.231 6.770 -3.048 1.00 0.00 N ATOM 1628 CA ASN A 109 -22.019 6.882 -4.267 1.00 0.00 C ATOM 1629 C ASN A 109 -21.398 7.910 -5.200 1.00 0.00 C ATOM 1630 O ASN A 109 -22.073 8.477 -6.058 1.00 0.00 O ATOM 1631 CB ASN A 109 -23.465 7.271 -3.942 1.00 0.00 C ATOM 1632 CG ASN A 109 -24.483 6.436 -4.699 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -24.132 5.638 -5.570 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -25.754 6.617 -4.377 1.00 0.00 N ATOM 0 H ASN A 109 -21.087 7.652 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 109 -22.026 5.911 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -23.635 7.159 -2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -23.616 8.324 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -26.482 6.086 -4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -26.006 7.287 -3.650 1.00 0.00 H new ATOM 1641 N GLY A 110 -20.106 8.150 -5.017 1.00 0.00 N ATOM 1642 CA GLY A 110 -19.408 9.114 -5.838 1.00 0.00 C ATOM 1643 C GLY A 110 -18.483 9.992 -5.022 1.00 0.00 C ATOM 1644 O GLY A 110 -17.311 10.149 -5.355 1.00 0.00 O ATOM 0 H GLY A 110 -19.529 7.691 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -18.831 8.590 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.133 9.738 -6.360 1.00 0.00 H new ATOM 1648 N ILE A 111 -19.001 10.554 -3.939 1.00 0.00 N ATOM 1649 CA ILE A 111 -18.204 11.420 -3.081 1.00 0.00 C ATOM 1650 C ILE A 111 -17.895 10.732 -1.752 1.00 0.00 C ATOM 1651 O ILE A 111 -18.113 11.301 -0.676 1.00 0.00 O ATOM 1652 CB ILE A 111 -18.908 12.772 -2.823 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -19.686 13.217 -4.065 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -17.893 13.836 -2.428 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -21.053 13.788 -3.758 1.00 0.00 C ATOM 0 H ILE A 111 -19.966 10.427 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 111 -17.269 11.619 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 111 -19.611 12.641 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.101 13.966 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.801 12.365 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -18.407 14.781 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -17.377 13.527 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -17.168 13.963 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -21.542 14.080 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -21.657 13.035 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -20.946 14.661 -3.114 1.00 0.00 H new ATOM 1667 N ASP A 112 -17.385 9.502 -1.846 1.00 0.00 N ATOM 1668 CA ASP A 112 -17.028 8.699 -0.673 1.00 0.00 C ATOM 1669 C ASP A 112 -18.255 8.426 0.192 1.00 0.00 C ATOM 1670 O ASP A 112 -19.394 8.562 -0.266 1.00 0.00 O ATOM 1671 CB ASP A 112 -15.941 9.401 0.156 1.00 0.00 C ATOM 1672 CG ASP A 112 -14.955 8.432 0.782 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -15.331 7.728 1.745 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -13.797 8.373 0.317 1.00 0.00 O ATOM 0 H ASP A 112 -17.208 9.035 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.635 7.746 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.400 10.100 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.414 9.988 0.943 1.00 0.00 H new ATOM 1679 N ASP A 113 -18.020 8.082 1.451 1.00 0.00 N ATOM 1680 CA ASP A 113 -19.102 7.890 2.402 1.00 0.00 C ATOM 1681 C ASP A 113 -19.675 9.246 2.782 1.00 0.00 C ATOM 1682 O ASP A 113 -19.062 10.003 3.540 1.00 0.00 O ATOM 1683 CB ASP A 113 -18.608 7.142 3.647 1.00 0.00 C ATOM 1684 CG ASP A 113 -19.540 7.291 4.838 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -20.759 7.077 4.682 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -19.052 7.622 5.940 1.00 0.00 O ATOM 0 H ASP A 113 -17.088 7.930 1.836 1.00 0.00 H new ATOM 0 HA ASP A 113 -19.882 7.283 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -18.498 6.084 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -17.619 7.512 3.918 1.00 0.00 H new ATOM 1691 N GLU A 114 -20.739 9.624 2.098 1.00 0.00 N ATOM 1692 CA GLU A 114 -21.303 10.945 2.254 1.00 0.00 C ATOM 1693 C GLU A 114 -22.140 11.015 3.519 1.00 0.00 C ATOM 1694 O GLU A 114 -21.995 11.998 4.269 1.00 0.00 O ATOM 1695 CB GLU A 114 -22.146 11.295 1.033 1.00 0.00 C ATOM 1696 CG GLU A 114 -21.663 12.533 0.297 1.00 0.00 C ATOM 1697 CD GLU A 114 -22.743 13.153 -0.557 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -23.247 12.470 -1.472 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -23.108 14.321 -0.309 1.00 0.00 O ATOM 1700 OXT GLU A 114 -22.922 10.074 3.773 1.00 0.00 O ATOM 0 H GLU A 114 -21.229 9.031 1.428 1.00 0.00 H new ATOM 0 HA GLU A 114 -20.493 11.669 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -22.144 10.449 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -23.179 11.448 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.309 13.268 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -20.813 12.270 -0.332 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -5.024 -10.337 -0.827 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.675 -2.926 4.121 1.00 0.00 ZN