USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 141 GLN : amide:sc= 1.22 K(o=0.98,f=0.26) USER MOD Set 1.2: A 147 TYR OH : rot 76:sc= -0.245 USER MOD Set 2.1: A 114 LYS NZ :NH3+ 178:sc= 0.113 (180deg=-0.192) USER MOD Set 2.2: A 165 TYR OH : rot 3:sc= 1.47 USER MOD Set 3.1: A 107 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 145 SER OG : rot 77:sc= 2.23 USER MOD Set 4.1: A 80 HIS : no HE2:sc= -1.21 K(o=-0.99,f=-7.3!) USER MOD Set 4.2: A 104 THR OG1 : rot 63:sc= 0.217 USER MOD Set 5.1: A 84 GLN : amide:sc= -0.186! C(o=1!,f=-9.4!) USER MOD Set 5.2: A 180 SER OG : rot -23:sc= 1.2 USER MOD Single : A 76 GLN : amide:sc= -2.17! C(o=-2.2!,f=-8.7!) USER MOD Single : A 77 SER OG : rot -24:sc= 0.336 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -40:sc= 0.81 USER MOD Single : A 87 THR OG1 : rot 140:sc= -0.803 USER MOD Single : A 92 CYS SG : rot 35:sc= 0.106 USER MOD Single : A 93 SER OG : rot 180:sc= -0.735 USER MOD Single : A 103 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.1!) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= -0.0285 (180deg=-0.222) USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= -0.0834 (180deg=-0.424) USER MOD Single : A 111 SER OG : rot 15:sc= 0.469 USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= -0.0451 (180deg=-0.309) USER MOD Single : A 118 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-9.2!) USER MOD Single : A 119 LYS NZ :NH3+ 161:sc= -0.0384 (180deg=-0.297) USER MOD Single : A 122 ASN : amide:sc= 0.751 K(o=0.75,f=-10!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.19) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 LYS NZ :NH3+ -170:sc= -0.0167 (180deg=-0.157) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 109:sc= 0.963 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl -154:sc= -2.19 (180deg=-2.49) USER MOD Single : A 156 LYS NZ :NH3+ 166:sc= -0.0124 (180deg=-0.185) USER MOD Single : A 160 TYR OH : rot 0:sc= 1.22 USER MOD Single : A 163 LYS NZ :NH3+ -117:sc= 0.46 (180deg=-0.0935) USER MOD Single : A 166 LYS NZ :NH3+ -142:sc= 1.15 (180deg=-0.594!) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -31:sc= 0.174 USER MOD Single : A 183 MET CE :methyl 178:sc= -1.75 (180deg=-1.77) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 75 20.821 0.703 -1.803 1.00 0.79 N ATOM 50 CA ASP A 75 20.523 -0.715 -1.996 1.00 0.78 C ATOM 51 C ASP A 75 19.026 -1.002 -2.001 1.00 0.67 C ATOM 52 O ASP A 75 18.530 -1.672 -2.889 1.00 0.92 O ATOM 53 CB ASP A 75 21.178 -1.550 -0.895 1.00 0.92 C ATOM 54 CG ASP A 75 22.675 -1.353 -0.826 1.00 1.37 C ATOM 55 OD1 ASP A 75 23.121 -0.456 -0.084 1.00 2.01 O ATOM 56 OD2 ASP A 75 23.414 -2.092 -1.508 1.00 1.86 O ATOM 0 HA ASP A 75 20.925 -0.986 -2.972 1.00 0.78 H new ATOM 0 HB2 ASP A 75 20.736 -1.287 0.066 1.00 0.92 H new ATOM 0 HB3 ASP A 75 20.962 -2.604 -1.067 1.00 0.92 H new ATOM 61 N GLN A 76 18.320 -0.483 -1.012 1.00 0.59 N ATOM 62 CA GLN A 76 16.925 -0.857 -0.762 1.00 0.77 C ATOM 63 C GLN A 76 15.918 0.078 -1.446 1.00 0.69 C ATOM 64 O GLN A 76 14.735 0.047 -1.128 1.00 0.94 O ATOM 65 CB GLN A 76 16.674 -0.845 0.746 1.00 1.07 C ATOM 66 CG GLN A 76 16.768 0.550 1.347 1.00 1.21 C ATOM 67 CD GLN A 76 16.649 0.557 2.851 1.00 1.75 C ATOM 68 OE1 GLN A 76 16.027 -0.320 3.438 1.00 2.30 O ATOM 69 NE2 GLN A 76 17.234 1.565 3.482 1.00 2.36 N ATOM 0 H GLN A 76 18.689 0.207 -0.358 1.00 0.59 H new ATOM 0 HA GLN A 76 16.775 -1.851 -1.184 1.00 0.77 H new ATOM 0 HB2 GLN A 76 15.686 -1.257 0.949 1.00 1.07 H new ATOM 0 HB3 GLN A 76 17.398 -1.496 1.236 1.00 1.07 H new ATOM 0 HG2 GLN A 76 17.720 0.998 1.062 1.00 1.21 H new ATOM 0 HG3 GLN A 76 15.982 1.175 0.924 1.00 1.21 H new ATOM 0 HE21 GLN A 76 17.742 2.273 2.952 1.00 2.36 H new ATOM 0 HE22 GLN A 76 17.177 1.633 4.498 1.00 2.36 H new ATOM 78 N SER A 77 16.381 0.908 -2.363 1.00 0.51 N ATOM 79 CA SER A 77 15.608 2.072 -2.797 1.00 0.56 C ATOM 80 C SER A 77 14.477 1.770 -3.797 1.00 0.43 C ATOM 81 O SER A 77 13.670 2.658 -4.077 1.00 0.54 O ATOM 82 CB SER A 77 16.556 3.106 -3.406 1.00 0.80 C ATOM 83 OG SER A 77 15.922 4.362 -3.572 1.00 1.52 O ATOM 0 H SER A 77 17.285 0.804 -2.824 1.00 0.51 H new ATOM 0 HA SER A 77 15.115 2.448 -1.901 1.00 0.56 H new ATOM 0 HB2 SER A 77 17.430 3.221 -2.765 1.00 0.80 H new ATOM 0 HB3 SER A 77 16.914 2.748 -4.371 1.00 0.80 H new ATOM 0 HG SER A 77 14.952 4.233 -3.634 1.00 1.52 H new ATOM 89 N ASP A 78 14.370 0.555 -4.320 1.00 0.35 N ATOM 90 CA ASP A 78 13.489 0.349 -5.476 1.00 0.38 C ATOM 91 C ASP A 78 12.372 -0.663 -5.227 1.00 0.33 C ATOM 92 O ASP A 78 12.036 -1.459 -6.106 1.00 0.42 O ATOM 93 CB ASP A 78 14.296 -0.046 -6.712 1.00 0.51 C ATOM 94 CG ASP A 78 13.620 0.375 -7.997 1.00 0.94 C ATOM 95 OD1 ASP A 78 13.087 1.505 -8.054 1.00 1.66 O ATOM 96 OD2 ASP A 78 13.644 -0.405 -8.967 1.00 1.66 O ATOM 0 H ASP A 78 14.858 -0.275 -3.984 1.00 0.35 H new ATOM 0 HA ASP A 78 13.001 1.308 -5.650 1.00 0.38 H new ATOM 0 HB2 ASP A 78 15.285 0.409 -6.658 1.00 0.51 H new ATOM 0 HB3 ASP A 78 14.442 -1.126 -6.718 1.00 0.51 H new ATOM 101 N LEU A 79 11.808 -0.650 -4.032 1.00 0.26 N ATOM 102 CA LEU A 79 10.620 -1.454 -3.750 1.00 0.26 C ATOM 103 C LEU A 79 9.398 -0.797 -4.385 1.00 0.30 C ATOM 104 O LEU A 79 9.111 0.372 -4.127 1.00 0.51 O ATOM 105 CB LEU A 79 10.398 -1.615 -2.237 1.00 0.28 C ATOM 106 CG LEU A 79 11.232 -2.699 -1.536 1.00 0.28 C ATOM 107 CD1 LEU A 79 10.872 -4.078 -2.058 1.00 0.29 C ATOM 108 CD2 LEU A 79 12.722 -2.436 -1.693 1.00 0.30 C ATOM 0 H LEU A 79 12.146 -0.098 -3.244 1.00 0.26 H new ATOM 0 HA LEU A 79 10.770 -2.446 -4.175 1.00 0.26 H new ATOM 0 HB2 LEU A 79 10.608 -0.659 -1.757 1.00 0.28 H new ATOM 0 HB3 LEU A 79 9.343 -1.832 -2.068 1.00 0.28 H new ATOM 0 HG LEU A 79 10.997 -2.663 -0.472 1.00 0.28 H new ATOM 0 HD11 LEU A 79 11.475 -4.829 -1.548 1.00 0.29 H new ATOM 0 HD12 LEU A 79 9.816 -4.273 -1.872 1.00 0.29 H new ATOM 0 HD13 LEU A 79 11.067 -4.124 -3.130 1.00 0.29 H new ATOM 0 HD21 LEU A 79 13.285 -3.220 -1.186 1.00 0.30 H new ATOM 0 HD22 LEU A 79 12.981 -2.430 -2.752 1.00 0.30 H new ATOM 0 HD23 LEU A 79 12.969 -1.470 -1.253 1.00 0.30 H new ATOM 120 N HIS A 80 8.698 -1.533 -5.235 1.00 0.21 N ATOM 121 CA HIS A 80 7.517 -0.997 -5.900 1.00 0.25 C ATOM 122 C HIS A 80 6.316 -1.899 -5.694 1.00 0.22 C ATOM 123 O HIS A 80 6.431 -3.124 -5.747 1.00 0.23 O ATOM 124 CB HIS A 80 7.758 -0.816 -7.400 1.00 0.33 C ATOM 125 CG HIS A 80 8.763 0.240 -7.724 1.00 1.03 C ATOM 126 ND1 HIS A 80 8.552 1.579 -7.486 1.00 1.94 N ATOM 127 CD2 HIS A 80 9.994 0.146 -8.267 1.00 1.86 C ATOM 128 CE1 HIS A 80 9.612 2.261 -7.871 1.00 2.58 C ATOM 129 NE2 HIS A 80 10.505 1.416 -8.347 1.00 2.50 N ATOM 0 H HIS A 80 8.924 -2.497 -5.480 1.00 0.21 H new ATOM 0 HA HIS A 80 7.315 -0.024 -5.453 1.00 0.25 H new ATOM 0 HB2 HIS A 80 8.091 -1.764 -7.822 1.00 0.33 H new ATOM 0 HB3 HIS A 80 6.813 -0.566 -7.883 1.00 0.33 H new ATOM 0 HD1 HIS A 80 7.708 1.980 -7.076 1.00 1.94 H new ATOM 0 HD2 HIS A 80 10.487 -0.762 -8.581 1.00 1.86 H new ATOM 0 HE1 HIS A 80 9.729 3.333 -7.807 1.00 2.58 H new ATOM 138 N ILE A 81 5.170 -1.281 -5.464 1.00 0.23 N ATOM 139 CA ILE A 81 3.916 -1.999 -5.343 1.00 0.23 C ATOM 140 C ILE A 81 3.520 -2.553 -6.709 1.00 0.26 C ATOM 141 O ILE A 81 2.925 -1.856 -7.529 1.00 0.36 O ATOM 142 CB ILE A 81 2.799 -1.081 -4.803 1.00 0.24 C ATOM 143 CG1 ILE A 81 3.212 -0.487 -3.450 1.00 0.23 C ATOM 144 CG2 ILE A 81 1.493 -1.854 -4.675 1.00 0.28 C ATOM 145 CD1 ILE A 81 2.245 0.543 -2.911 1.00 0.27 C ATOM 0 H ILE A 81 5.084 -0.270 -5.356 1.00 0.23 H new ATOM 0 HA ILE A 81 4.049 -2.817 -4.635 1.00 0.23 H new ATOM 0 HB ILE A 81 2.644 -0.263 -5.507 1.00 0.24 H new ATOM 0 HG12 ILE A 81 3.309 -1.295 -2.724 1.00 0.23 H new ATOM 0 HG13 ILE A 81 4.196 -0.029 -3.551 1.00 0.23 H new ATOM 0 HG21 ILE A 81 0.715 -1.193 -4.293 1.00 0.28 H new ATOM 0 HG22 ILE A 81 1.198 -2.234 -5.653 1.00 0.28 H new ATOM 0 HG23 ILE A 81 1.630 -2.689 -3.987 1.00 0.28 H new ATOM 0 HD11 ILE A 81 2.607 0.915 -1.953 1.00 0.27 H new ATOM 0 HD12 ILE A 81 2.166 1.371 -3.615 1.00 0.27 H new ATOM 0 HD13 ILE A 81 1.265 0.086 -2.776 1.00 0.27 H new ATOM 157 N SER A 82 3.868 -3.807 -6.946 1.00 0.25 N ATOM 158 CA SER A 82 3.693 -4.413 -8.257 1.00 0.29 C ATOM 159 C SER A 82 2.383 -5.190 -8.326 1.00 0.33 C ATOM 160 O SER A 82 1.859 -5.446 -9.410 1.00 0.43 O ATOM 161 CB SER A 82 4.881 -5.331 -8.567 1.00 0.32 C ATOM 162 OG SER A 82 4.830 -5.819 -9.900 1.00 1.10 O ATOM 0 H SER A 82 4.275 -4.427 -6.246 1.00 0.25 H new ATOM 0 HA SER A 82 3.652 -3.621 -9.005 1.00 0.29 H new ATOM 0 HB2 SER A 82 5.812 -4.786 -8.414 1.00 0.32 H new ATOM 0 HB3 SER A 82 4.884 -6.170 -7.871 1.00 0.32 H new ATOM 0 HG SER A 82 5.602 -6.400 -10.066 1.00 1.10 H new ATOM 168 N ASP A 83 1.854 -5.551 -7.168 1.00 0.33 N ATOM 169 CA ASP A 83 0.588 -6.267 -7.094 1.00 0.38 C ATOM 170 C ASP A 83 -0.186 -5.778 -5.883 1.00 0.30 C ATOM 171 O ASP A 83 0.404 -5.227 -4.957 1.00 0.27 O ATOM 172 CB ASP A 83 0.813 -7.786 -7.036 1.00 0.46 C ATOM 173 CG ASP A 83 -0.477 -8.570 -6.872 1.00 1.27 C ATOM 174 OD1 ASP A 83 -0.602 -9.317 -5.880 1.00 2.07 O ATOM 175 OD2 ASP A 83 -1.373 -8.439 -7.733 1.00 1.90 O ATOM 0 H ASP A 83 2.283 -5.360 -6.262 1.00 0.33 H new ATOM 0 HA ASP A 83 0.007 -6.066 -7.994 1.00 0.38 H new ATOM 0 HB2 ASP A 83 1.315 -8.109 -7.948 1.00 0.46 H new ATOM 0 HB3 ASP A 83 1.481 -8.018 -6.206 1.00 0.46 H new ATOM 180 N GLN A 84 -1.492 -5.961 -5.900 1.00 0.31 N ATOM 181 CA GLN A 84 -2.357 -5.392 -4.882 1.00 0.35 C ATOM 182 C GLN A 84 -3.761 -5.965 -5.014 1.00 0.34 C ATOM 183 O GLN A 84 -4.052 -6.668 -5.985 1.00 0.39 O ATOM 184 CB GLN A 84 -2.377 -3.862 -5.018 1.00 0.49 C ATOM 185 CG GLN A 84 -2.777 -3.384 -6.408 1.00 0.64 C ATOM 186 CD GLN A 84 -2.160 -2.048 -6.772 1.00 1.32 C ATOM 187 OE1 GLN A 84 -2.720 -0.993 -6.496 1.00 2.14 O ATOM 188 NE2 GLN A 84 -1.003 -2.086 -7.414 1.00 1.98 N ATOM 0 H GLN A 84 -1.981 -6.503 -6.612 1.00 0.31 H new ATOM 0 HA GLN A 84 -1.974 -5.649 -3.894 1.00 0.35 H new ATOM 0 HB2 GLN A 84 -3.071 -3.449 -4.286 1.00 0.49 H new ATOM 0 HB3 GLN A 84 -1.389 -3.470 -4.777 1.00 0.49 H new ATOM 0 HG2 GLN A 84 -2.476 -4.130 -7.144 1.00 0.64 H new ATOM 0 HG3 GLN A 84 -3.863 -3.304 -6.461 1.00 0.64 H new ATOM 0 HE21 GLN A 84 -0.567 -2.983 -7.626 1.00 1.98 H new ATOM 0 HE22 GLN A 84 -0.548 -1.218 -7.696 1.00 1.98 H new ATOM 197 N THR A 85 -4.611 -5.679 -4.037 1.00 0.34 N ATOM 198 CA THR A 85 -5.989 -6.150 -4.052 1.00 0.39 C ATOM 199 C THR A 85 -6.704 -5.742 -5.346 1.00 0.50 C ATOM 200 O THR A 85 -6.746 -4.565 -5.706 1.00 0.54 O ATOM 201 CB THR A 85 -6.751 -5.604 -2.833 1.00 0.32 C ATOM 202 OG1 THR A 85 -6.115 -6.053 -1.628 1.00 0.43 O ATOM 203 CG2 THR A 85 -8.203 -6.054 -2.841 1.00 0.42 C ATOM 0 H THR A 85 -4.368 -5.120 -3.219 1.00 0.34 H new ATOM 0 HA THR A 85 -5.971 -7.239 -4.005 1.00 0.39 H new ATOM 0 HB THR A 85 -6.733 -4.515 -2.880 1.00 0.32 H new ATOM 0 HG1 THR A 85 -5.831 -6.985 -1.736 1.00 0.43 H new ATOM 0 HG21 THR A 85 -8.714 -5.651 -1.966 1.00 0.42 H new ATOM 0 HG22 THR A 85 -8.691 -5.691 -3.745 1.00 0.42 H new ATOM 0 HG23 THR A 85 -8.247 -7.143 -2.817 1.00 0.42 H new ATOM 211 N ASP A 86 -7.273 -6.723 -6.035 1.00 0.69 N ATOM 212 CA ASP A 86 -7.842 -6.503 -7.357 1.00 0.89 C ATOM 213 C ASP A 86 -9.368 -6.534 -7.321 1.00 0.83 C ATOM 214 O ASP A 86 -10.006 -7.373 -7.960 1.00 1.12 O ATOM 215 CB ASP A 86 -7.305 -7.548 -8.342 1.00 1.20 C ATOM 216 CG ASP A 86 -7.623 -7.221 -9.790 1.00 1.67 C ATOM 217 OD1 ASP A 86 -7.431 -6.056 -10.201 1.00 2.32 O ATOM 218 OD2 ASP A 86 -8.037 -8.134 -10.534 1.00 2.23 O ATOM 0 H ASP A 86 -7.352 -7.682 -5.698 1.00 0.69 H new ATOM 0 HA ASP A 86 -7.541 -5.511 -7.693 1.00 0.89 H new ATOM 0 HB2 ASP A 86 -6.225 -7.629 -8.223 1.00 1.20 H new ATOM 0 HB3 ASP A 86 -7.727 -8.522 -8.095 1.00 1.20 H new ATOM 223 N THR A 87 -9.949 -5.629 -6.549 1.00 0.72 N ATOM 224 CA THR A 87 -11.389 -5.425 -6.568 1.00 0.74 C ATOM 225 C THR A 87 -11.748 -4.515 -7.736 1.00 0.81 C ATOM 226 O THR A 87 -12.517 -4.894 -8.620 1.00 1.42 O ATOM 227 CB THR A 87 -11.885 -4.809 -5.246 1.00 1.14 C ATOM 228 OG1 THR A 87 -11.027 -3.728 -4.857 1.00 1.36 O ATOM 229 CG2 THR A 87 -11.929 -5.851 -4.139 1.00 1.87 C ATOM 0 H THR A 87 -9.445 -5.024 -5.901 1.00 0.72 H new ATOM 0 HA THR A 87 -11.877 -6.392 -6.686 1.00 0.74 H new ATOM 0 HB THR A 87 -12.896 -4.434 -5.406 1.00 1.14 H new ATOM 0 HG1 THR A 87 -11.568 -2.994 -4.498 1.00 1.36 H new ATOM 0 HG21 THR A 87 -12.283 -5.388 -3.218 1.00 1.87 H new ATOM 0 HG22 THR A 87 -12.606 -6.656 -4.424 1.00 1.87 H new ATOM 0 HG23 THR A 87 -10.930 -6.256 -3.981 1.00 1.87 H new ATOM 280 N VAL A 91 -17.289 -3.554 -5.354 1.00 0.65 N ATOM 281 CA VAL A 91 -17.366 -4.946 -4.958 1.00 0.77 C ATOM 282 C VAL A 91 -17.734 -5.032 -3.490 1.00 0.55 C ATOM 283 O VAL A 91 -17.137 -4.343 -2.661 1.00 0.46 O ATOM 284 CB VAL A 91 -16.022 -5.675 -5.188 1.00 1.02 C ATOM 285 CG1 VAL A 91 -16.125 -7.143 -4.808 1.00 1.43 C ATOM 286 CG2 VAL A 91 -15.572 -5.532 -6.634 1.00 1.51 C ATOM 0 HA VAL A 91 -18.127 -5.430 -5.570 1.00 0.77 H new ATOM 0 HB VAL A 91 -15.275 -5.209 -4.545 1.00 1.02 H new ATOM 0 HG11 VAL A 91 -15.166 -7.631 -4.980 1.00 1.43 H new ATOM 0 HG12 VAL A 91 -16.392 -7.228 -3.755 1.00 1.43 H new ATOM 0 HG13 VAL A 91 -16.891 -7.624 -5.417 1.00 1.43 H new ATOM 0 HG21 VAL A 91 -14.624 -6.052 -6.773 1.00 1.51 H new ATOM 0 HG22 VAL A 91 -16.324 -5.965 -7.294 1.00 1.51 H new ATOM 0 HG23 VAL A 91 -15.445 -4.476 -6.873 1.00 1.51 H new ATOM 296 N CYS A 92 -18.706 -5.862 -3.154 1.00 0.79 N ATOM 297 CA CYS A 92 -19.066 -6.022 -1.765 1.00 0.64 C ATOM 298 C CYS A 92 -18.299 -7.197 -1.190 1.00 0.62 C ATOM 299 O CYS A 92 -18.432 -8.333 -1.655 1.00 1.20 O ATOM 300 CB CYS A 92 -20.578 -6.229 -1.626 1.00 1.10 C ATOM 301 SG CYS A 92 -21.239 -7.584 -2.625 1.00 1.91 S ATOM 0 H CYS A 92 -19.248 -6.423 -3.812 1.00 0.79 H new ATOM 0 HA CYS A 92 -18.805 -5.121 -1.210 1.00 0.64 H new ATOM 0 HB2 CYS A 92 -20.812 -6.418 -0.578 1.00 1.10 H new ATOM 0 HB3 CYS A 92 -21.086 -5.306 -1.905 1.00 1.10 H new ATOM 0 HG CYS A 92 -20.363 -8.543 -2.690 1.00 1.91 H new ATOM 307 N SER A 93 -17.473 -6.912 -0.197 1.00 0.69 N ATOM 308 CA SER A 93 -16.607 -7.921 0.367 1.00 1.02 C ATOM 309 C SER A 93 -16.217 -7.585 1.802 1.00 0.58 C ATOM 310 O SER A 93 -15.993 -6.418 2.140 1.00 0.73 O ATOM 311 CB SER A 93 -15.351 -8.050 -0.503 1.00 1.83 C ATOM 312 OG SER A 93 -14.561 -9.165 -0.125 1.00 2.58 O ATOM 0 H SER A 93 -17.388 -5.990 0.231 1.00 0.69 H new ATOM 0 HA SER A 93 -17.146 -8.868 0.386 1.00 1.02 H new ATOM 0 HB2 SER A 93 -15.642 -8.148 -1.549 1.00 1.83 H new ATOM 0 HB3 SER A 93 -14.757 -7.140 -0.422 1.00 1.83 H new ATOM 0 HG SER A 93 -13.770 -9.216 -0.702 1.00 2.58 H new ATOM 318 N PRO A 94 -16.179 -8.591 2.679 1.00 0.78 N ATOM 319 CA PRO A 94 -15.393 -8.529 3.891 1.00 0.67 C ATOM 320 C PRO A 94 -14.015 -9.118 3.616 1.00 0.53 C ATOM 321 O PRO A 94 -13.875 -10.334 3.468 1.00 0.59 O ATOM 322 CB PRO A 94 -16.174 -9.410 4.871 1.00 0.93 C ATOM 323 CG PRO A 94 -17.096 -10.257 4.036 1.00 1.39 C ATOM 324 CD PRO A 94 -16.931 -9.842 2.591 1.00 1.43 C ATOM 0 HA PRO A 94 -15.243 -7.519 4.272 1.00 0.67 H new ATOM 0 HB2 PRO A 94 -15.498 -10.033 5.457 1.00 0.93 H new ATOM 0 HB3 PRO A 94 -16.739 -8.800 5.577 1.00 0.93 H new ATOM 0 HG2 PRO A 94 -16.858 -11.314 4.159 1.00 1.39 H new ATOM 0 HG3 PRO A 94 -18.130 -10.124 4.355 1.00 1.39 H new ATOM 0 HD2 PRO A 94 -16.392 -10.595 2.016 1.00 1.43 H new ATOM 0 HD3 PRO A 94 -17.895 -9.698 2.102 1.00 1.43 H new ATOM 332 N PHE A 95 -13.001 -8.271 3.535 1.00 0.43 N ATOM 333 CA PHE A 95 -11.710 -8.721 3.047 1.00 0.40 C ATOM 334 C PHE A 95 -10.578 -7.890 3.635 1.00 0.33 C ATOM 335 O PHE A 95 -10.762 -6.716 3.970 1.00 0.32 O ATOM 336 CB PHE A 95 -11.707 -8.624 1.513 1.00 0.46 C ATOM 337 CG PHE A 95 -10.623 -9.413 0.828 1.00 0.50 C ATOM 338 CD1 PHE A 95 -9.576 -8.770 0.186 1.00 1.26 C ATOM 339 CD2 PHE A 95 -10.659 -10.799 0.815 1.00 1.35 C ATOM 340 CE1 PHE A 95 -8.589 -9.492 -0.453 1.00 1.33 C ATOM 341 CE2 PHE A 95 -9.672 -11.526 0.178 1.00 1.36 C ATOM 342 CZ PHE A 95 -8.636 -10.871 -0.457 1.00 0.68 C ATOM 0 H PHE A 95 -13.045 -7.286 3.796 1.00 0.43 H new ATOM 0 HA PHE A 95 -11.548 -9.754 3.357 1.00 0.40 H new ATOM 0 HB2 PHE A 95 -12.673 -8.964 1.141 1.00 0.46 H new ATOM 0 HB3 PHE A 95 -11.607 -7.576 1.230 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -9.532 -7.691 0.186 1.00 1.26 H new ATOM 0 HD2 PHE A 95 -11.468 -11.316 1.309 1.00 1.35 H new ATOM 0 HE1 PHE A 95 -7.780 -8.978 -0.950 1.00 1.33 H new ATOM 0 HE2 PHE A 95 -9.711 -12.605 0.177 1.00 1.36 H new ATOM 0 HZ PHE A 95 -7.863 -11.437 -0.956 1.00 0.68 H new ATOM 352 N ALA A 96 -9.423 -8.523 3.788 1.00 0.37 N ATOM 353 CA ALA A 96 -8.214 -7.840 4.208 1.00 0.38 C ATOM 354 C ALA A 96 -7.415 -7.422 2.983 1.00 0.35 C ATOM 355 O ALA A 96 -7.093 -8.248 2.127 1.00 0.51 O ATOM 356 CB ALA A 96 -7.375 -8.733 5.112 1.00 0.49 C ATOM 0 H ALA A 96 -9.301 -9.522 3.624 1.00 0.37 H new ATOM 0 HA ALA A 96 -8.490 -6.952 4.777 1.00 0.38 H new ATOM 0 HB1 ALA A 96 -6.474 -8.200 5.415 1.00 0.49 H new ATOM 0 HB2 ALA A 96 -7.953 -9.000 5.997 1.00 0.49 H new ATOM 0 HB3 ALA A 96 -7.097 -9.639 4.573 1.00 0.49 H new ATOM 362 N LEU A 97 -7.089 -6.146 2.912 1.00 0.24 N ATOM 363 CA LEU A 97 -6.460 -5.583 1.728 1.00 0.22 C ATOM 364 C LEU A 97 -4.959 -5.798 1.770 1.00 0.22 C ATOM 365 O LEU A 97 -4.363 -5.812 2.844 1.00 0.24 O ATOM 366 CB LEU A 97 -6.788 -4.092 1.623 1.00 0.23 C ATOM 367 CG LEU A 97 -8.279 -3.773 1.509 1.00 0.46 C ATOM 368 CD1 LEU A 97 -8.507 -2.276 1.490 1.00 1.40 C ATOM 369 CD2 LEU A 97 -8.866 -4.414 0.265 1.00 1.07 C ATOM 0 H LEU A 97 -7.249 -5.475 3.663 1.00 0.24 H new ATOM 0 HA LEU A 97 -6.851 -6.091 0.846 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -6.387 -3.583 2.500 1.00 0.23 H new ATOM 0 HB3 LEU A 97 -6.275 -3.681 0.754 1.00 0.23 H new ATOM 0 HG LEU A 97 -8.784 -4.185 2.383 1.00 0.46 H new ATOM 0 HD11 LEU A 97 -9.575 -2.072 1.408 1.00 1.40 H new ATOM 0 HD12 LEU A 97 -8.123 -1.838 2.411 1.00 1.40 H new ATOM 0 HD13 LEU A 97 -7.988 -1.840 0.637 1.00 1.40 H new ATOM 0 HD21 LEU A 97 -9.928 -4.177 0.200 1.00 1.07 H new ATOM 0 HD22 LEU A 97 -8.354 -4.031 -0.618 1.00 1.07 H new ATOM 0 HD23 LEU A 97 -8.739 -5.495 0.318 1.00 1.07 H new ATOM 381 N PHE A 98 -4.346 -5.966 0.607 1.00 0.23 N ATOM 382 CA PHE A 98 -2.924 -6.239 0.548 1.00 0.23 C ATOM 383 C PHE A 98 -2.265 -5.547 -0.631 1.00 0.22 C ATOM 384 O PHE A 98 -2.905 -5.243 -1.639 1.00 0.25 O ATOM 385 CB PHE A 98 -2.663 -7.752 0.482 1.00 0.24 C ATOM 386 CG PHE A 98 -3.364 -8.447 -0.656 1.00 0.26 C ATOM 387 CD1 PHE A 98 -2.804 -8.478 -1.925 1.00 1.26 C ATOM 388 CD2 PHE A 98 -4.584 -9.073 -0.454 1.00 1.18 C ATOM 389 CE1 PHE A 98 -3.448 -9.114 -2.967 1.00 1.31 C ATOM 390 CE2 PHE A 98 -5.231 -9.711 -1.494 1.00 1.17 C ATOM 391 CZ PHE A 98 -4.662 -9.733 -2.750 1.00 0.40 C ATOM 0 H PHE A 98 -4.810 -5.918 -0.300 1.00 0.23 H new ATOM 0 HA PHE A 98 -2.482 -5.840 1.461 1.00 0.23 H new ATOM 0 HB2 PHE A 98 -1.590 -7.921 0.392 1.00 0.24 H new ATOM 0 HB3 PHE A 98 -2.979 -8.206 1.421 1.00 0.24 H new ATOM 0 HD1 PHE A 98 -1.852 -7.998 -2.100 1.00 1.26 H new ATOM 0 HD2 PHE A 98 -5.034 -9.062 0.528 1.00 1.18 H new ATOM 0 HE1 PHE A 98 -3.002 -9.127 -3.951 1.00 1.31 H new ATOM 0 HE2 PHE A 98 -6.183 -10.193 -1.324 1.00 1.17 H new ATOM 0 HZ PHE A 98 -5.166 -10.234 -3.563 1.00 0.40 H new ATOM 401 N ALA A 99 -0.979 -5.296 -0.472 1.00 0.20 N ATOM 402 CA ALA A 99 -0.147 -4.764 -1.530 1.00 0.19 C ATOM 403 C ALA A 99 1.185 -5.495 -1.529 1.00 0.17 C ATOM 404 O ALA A 99 1.750 -5.772 -0.471 1.00 0.19 O ATOM 405 CB ALA A 99 0.058 -3.267 -1.362 1.00 0.21 C ATOM 0 H ALA A 99 -0.480 -5.458 0.403 1.00 0.20 H new ATOM 0 HA ALA A 99 -0.644 -4.919 -2.488 1.00 0.19 H new ATOM 0 HB1 ALA A 99 0.687 -2.893 -2.170 1.00 0.21 H new ATOM 0 HB2 ALA A 99 -0.908 -2.762 -1.390 1.00 0.21 H new ATOM 0 HB3 ALA A 99 0.542 -3.071 -0.405 1.00 0.21 H new ATOM 411 N VAL A 100 1.664 -5.835 -2.703 1.00 0.17 N ATOM 412 CA VAL A 100 2.908 -6.567 -2.839 1.00 0.18 C ATOM 413 C VAL A 100 3.991 -5.678 -3.432 1.00 0.19 C ATOM 414 O VAL A 100 3.832 -5.130 -4.524 1.00 0.22 O ATOM 415 CB VAL A 100 2.712 -7.809 -3.726 1.00 0.23 C ATOM 416 CG1 VAL A 100 4.026 -8.534 -3.955 1.00 0.26 C ATOM 417 CG2 VAL A 100 1.680 -8.744 -3.116 1.00 0.25 C ATOM 0 H VAL A 100 1.207 -5.615 -3.588 1.00 0.17 H new ATOM 0 HA VAL A 100 3.220 -6.888 -1.845 1.00 0.18 H new ATOM 0 HB VAL A 100 2.344 -7.474 -4.696 1.00 0.23 H new ATOM 0 HG11 VAL A 100 3.855 -9.407 -4.585 1.00 0.26 H new ATOM 0 HG12 VAL A 100 4.730 -7.864 -4.447 1.00 0.26 H new ATOM 0 HG13 VAL A 100 4.437 -8.853 -2.997 1.00 0.26 H new ATOM 0 HG21 VAL A 100 1.555 -9.616 -3.758 1.00 0.25 H new ATOM 0 HG22 VAL A 100 2.017 -9.064 -2.130 1.00 0.25 H new ATOM 0 HG23 VAL A 100 0.727 -8.223 -3.023 1.00 0.25 H new ATOM 427 N LEU A 101 5.092 -5.544 -2.711 1.00 0.19 N ATOM 428 CA LEU A 101 6.193 -4.708 -3.150 1.00 0.19 C ATOM 429 C LEU A 101 7.344 -5.568 -3.637 1.00 0.21 C ATOM 430 O LEU A 101 7.842 -6.430 -2.916 1.00 0.23 O ATOM 431 CB LEU A 101 6.686 -3.774 -2.038 1.00 0.19 C ATOM 432 CG LEU A 101 5.663 -2.763 -1.512 1.00 0.22 C ATOM 433 CD1 LEU A 101 4.786 -3.392 -0.441 1.00 0.30 C ATOM 434 CD2 LEU A 101 6.367 -1.523 -0.976 1.00 0.21 C ATOM 0 H LEU A 101 5.246 -6.007 -1.815 1.00 0.19 H new ATOM 0 HA LEU A 101 5.822 -4.090 -3.968 1.00 0.19 H new ATOM 0 HB2 LEU A 101 7.028 -4.384 -1.202 1.00 0.19 H new ATOM 0 HB3 LEU A 101 7.553 -3.226 -2.408 1.00 0.19 H new ATOM 0 HG LEU A 101 5.021 -2.461 -2.339 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.067 -2.656 -0.081 1.00 0.30 H new ATOM 0 HD12 LEU A 101 4.253 -4.245 -0.862 1.00 0.30 H new ATOM 0 HD13 LEU A 101 5.409 -3.726 0.389 1.00 0.30 H new ATOM 0 HD21 LEU A 101 5.625 -0.815 -0.606 1.00 0.21 H new ATOM 0 HD22 LEU A 101 7.035 -1.807 -0.163 1.00 0.21 H new ATOM 0 HD23 LEU A 101 6.945 -1.059 -1.775 1.00 0.21 H new ATOM 446 N GLU A 102 7.751 -5.333 -4.864 1.00 0.24 N ATOM 447 CA GLU A 102 8.859 -6.053 -5.454 1.00 0.29 C ATOM 448 C GLU A 102 10.046 -5.117 -5.620 1.00 0.28 C ATOM 449 O GLU A 102 9.888 -3.984 -6.076 1.00 0.26 O ATOM 450 CB GLU A 102 8.450 -6.631 -6.811 1.00 0.34 C ATOM 451 CG GLU A 102 9.548 -7.434 -7.490 1.00 0.41 C ATOM 452 CD GLU A 102 9.086 -8.095 -8.771 1.00 0.53 C ATOM 453 OE1 GLU A 102 9.138 -9.339 -8.856 1.00 1.32 O ATOM 454 OE2 GLU A 102 8.663 -7.376 -9.703 1.00 0.95 O ATOM 0 H GLU A 102 7.326 -4.640 -5.480 1.00 0.24 H new ATOM 0 HA GLU A 102 9.141 -6.875 -4.796 1.00 0.29 H new ATOM 0 HB2 GLU A 102 7.576 -7.269 -6.676 1.00 0.34 H new ATOM 0 HB3 GLU A 102 8.150 -5.815 -7.468 1.00 0.34 H new ATOM 0 HG2 GLU A 102 10.390 -6.777 -7.709 1.00 0.41 H new ATOM 0 HG3 GLU A 102 9.911 -8.198 -6.803 1.00 0.41 H new ATOM 461 N ASN A 103 11.223 -5.578 -5.227 1.00 0.38 N ATOM 462 CA ASN A 103 12.434 -4.794 -5.418 1.00 0.44 C ATOM 463 C ASN A 103 12.976 -5.011 -6.823 1.00 0.37 C ATOM 464 O ASN A 103 13.633 -6.010 -7.103 1.00 0.51 O ATOM 465 CB ASN A 103 13.504 -5.110 -4.349 1.00 0.68 C ATOM 466 CG ASN A 103 13.613 -6.578 -3.962 1.00 0.87 C ATOM 467 OD1 ASN A 103 13.890 -6.895 -2.806 1.00 1.76 O ATOM 468 ND2 ASN A 103 13.432 -7.479 -4.909 1.00 1.64 N ATOM 0 H ASN A 103 11.366 -6.483 -4.778 1.00 0.38 H new ATOM 0 HA ASN A 103 12.177 -3.742 -5.299 1.00 0.44 H new ATOM 0 HB2 ASN A 103 14.474 -4.774 -4.717 1.00 0.68 H new ATOM 0 HB3 ASN A 103 13.284 -4.529 -3.453 1.00 0.68 H new ATOM 0 HD21 ASN A 103 13.521 -8.472 -4.692 1.00 1.64 H new ATOM 0 HD22 ASN A 103 13.203 -7.183 -5.858 1.00 1.64 H new ATOM 475 N THR A 104 12.680 -4.074 -7.707 1.00 0.34 N ATOM 476 CA THR A 104 13.034 -4.203 -9.112 1.00 0.38 C ATOM 477 C THR A 104 14.483 -3.799 -9.377 1.00 0.50 C ATOM 478 O THR A 104 14.763 -2.877 -10.144 1.00 0.70 O ATOM 479 CB THR A 104 12.079 -3.375 -9.987 1.00 0.55 C ATOM 480 OG1 THR A 104 11.791 -2.124 -9.351 1.00 0.77 O ATOM 481 CG2 THR A 104 10.784 -4.132 -10.232 1.00 0.73 C ATOM 0 H THR A 104 12.192 -3.209 -7.475 1.00 0.34 H new ATOM 0 HA THR A 104 12.935 -5.256 -9.376 1.00 0.38 H new ATOM 0 HB THR A 104 12.565 -3.191 -10.945 1.00 0.55 H new ATOM 0 HG1 THR A 104 12.618 -1.607 -9.257 1.00 0.77 H new ATOM 0 HG21 THR A 104 10.122 -3.529 -10.853 1.00 0.73 H new ATOM 0 HG22 THR A 104 11.002 -5.071 -10.740 1.00 0.73 H new ATOM 0 HG23 THR A 104 10.298 -4.339 -9.279 1.00 0.73 H new ATOM 489 N GLY A 105 15.399 -4.502 -8.734 1.00 0.52 N ATOM 490 CA GLY A 105 16.811 -4.271 -8.953 1.00 0.72 C ATOM 491 C GLY A 105 17.522 -3.848 -7.693 1.00 0.66 C ATOM 492 O GLY A 105 18.627 -4.307 -7.407 1.00 0.80 O ATOM 0 H GLY A 105 15.188 -5.236 -8.058 1.00 0.52 H new ATOM 0 HA2 GLY A 105 17.270 -5.181 -9.339 1.00 0.72 H new ATOM 0 HA3 GLY A 105 16.938 -3.502 -9.715 1.00 0.72 H new ATOM 496 N GLU A 106 16.877 -2.997 -6.919 1.00 0.60 N ATOM 497 CA GLU A 106 17.457 -2.516 -5.683 1.00 0.56 C ATOM 498 C GLU A 106 16.839 -3.271 -4.510 1.00 0.65 C ATOM 499 O GLU A 106 15.770 -2.911 -4.011 1.00 1.05 O ATOM 500 CB GLU A 106 17.262 -1.001 -5.562 1.00 0.68 C ATOM 501 CG GLU A 106 17.850 -0.237 -6.746 1.00 1.25 C ATOM 502 CD GLU A 106 17.581 1.259 -6.712 1.00 1.91 C ATOM 503 OE1 GLU A 106 16.673 1.724 -7.431 1.00 2.54 O ATOM 504 OE2 GLU A 106 18.300 1.984 -5.996 1.00 2.47 O ATOM 0 H GLU A 106 15.950 -2.625 -7.126 1.00 0.60 H new ATOM 0 HA GLU A 106 18.531 -2.702 -5.676 1.00 0.56 H new ATOM 0 HB2 GLU A 106 16.197 -0.780 -5.485 1.00 0.68 H new ATOM 0 HB3 GLU A 106 17.728 -0.651 -4.641 1.00 0.68 H new ATOM 0 HG2 GLU A 106 18.927 -0.402 -6.772 1.00 1.25 H new ATOM 0 HG3 GLU A 106 17.442 -0.648 -7.669 1.00 1.25 H new ATOM 511 N LYS A 107 17.531 -4.330 -4.100 1.00 0.61 N ATOM 512 CA LYS A 107 17.043 -5.263 -3.086 1.00 0.69 C ATOM 513 C LYS A 107 16.924 -4.616 -1.707 1.00 0.66 C ATOM 514 O LYS A 107 17.778 -3.830 -1.293 1.00 0.76 O ATOM 515 CB LYS A 107 17.991 -6.464 -2.979 1.00 0.86 C ATOM 516 CG LYS A 107 18.271 -7.183 -4.294 1.00 1.37 C ATOM 517 CD LYS A 107 17.018 -7.800 -4.890 1.00 1.80 C ATOM 518 CE LYS A 107 17.363 -8.729 -6.041 1.00 2.66 C ATOM 519 NZ LYS A 107 16.162 -9.404 -6.599 1.00 3.32 N ATOM 0 H LYS A 107 18.454 -4.568 -4.464 1.00 0.61 H new ATOM 0 HA LYS A 107 16.049 -5.580 -3.403 1.00 0.69 H new ATOM 0 HB2 LYS A 107 18.938 -6.124 -2.559 1.00 0.86 H new ATOM 0 HB3 LYS A 107 17.568 -7.180 -2.274 1.00 0.86 H new ATOM 0 HG2 LYS A 107 18.701 -6.479 -5.006 1.00 1.37 H new ATOM 0 HG3 LYS A 107 19.014 -7.963 -4.128 1.00 1.37 H new ATOM 0 HD2 LYS A 107 16.479 -8.353 -4.121 1.00 1.80 H new ATOM 0 HD3 LYS A 107 16.352 -7.012 -5.241 1.00 1.80 H new ATOM 0 HE2 LYS A 107 17.857 -8.160 -6.829 1.00 2.66 H new ATOM 0 HE3 LYS A 107 18.073 -9.481 -5.698 1.00 2.66 H new ATOM 0 HZ1 LYS A 107 16.430 -9.948 -7.444 1.00 3.32 H new ATOM 0 HZ2 LYS A 107 15.763 -10.047 -5.886 1.00 3.32 H new ATOM 0 HZ3 LYS A 107 15.451 -8.690 -6.858 1.00 3.32 H new ATOM 533 N LEU A 108 15.865 -4.979 -0.995 1.00 0.59 N ATOM 534 CA LEU A 108 15.665 -4.548 0.384 1.00 0.57 C ATOM 535 C LEU A 108 16.775 -5.142 1.252 1.00 0.63 C ATOM 536 O LEU A 108 16.856 -6.362 1.414 1.00 0.74 O ATOM 537 CB LEU A 108 14.274 -5.009 0.864 1.00 0.60 C ATOM 538 CG LEU A 108 13.765 -4.444 2.200 1.00 0.58 C ATOM 539 CD1 LEU A 108 14.452 -5.106 3.385 1.00 0.61 C ATOM 540 CD2 LEU A 108 13.949 -2.937 2.248 1.00 0.56 C ATOM 0 H LEU A 108 15.122 -5.578 -1.355 1.00 0.59 H new ATOM 0 HA LEU A 108 15.708 -3.461 0.458 1.00 0.57 H new ATOM 0 HB2 LEU A 108 13.549 -4.753 0.092 1.00 0.60 H new ATOM 0 HB3 LEU A 108 14.287 -6.096 0.941 1.00 0.60 H new ATOM 0 HG LEU A 108 12.700 -4.667 2.269 1.00 0.58 H new ATOM 0 HD11 LEU A 108 14.067 -4.682 4.312 1.00 0.61 H new ATOM 0 HD12 LEU A 108 14.255 -6.178 3.367 1.00 0.61 H new ATOM 0 HD13 LEU A 108 15.527 -4.933 3.326 1.00 0.61 H new ATOM 0 HD21 LEU A 108 13.583 -2.556 3.201 1.00 0.56 H new ATOM 0 HD22 LEU A 108 15.007 -2.696 2.143 1.00 0.56 H new ATOM 0 HD23 LEU A 108 13.390 -2.476 1.434 1.00 0.56 H new ATOM 552 N LYS A 109 17.642 -4.291 1.787 1.00 0.62 N ATOM 553 CA LYS A 109 18.798 -4.772 2.531 1.00 0.73 C ATOM 554 C LYS A 109 19.028 -3.984 3.822 1.00 0.75 C ATOM 555 O LYS A 109 19.233 -4.568 4.885 1.00 1.15 O ATOM 556 CB LYS A 109 20.044 -4.683 1.647 1.00 0.92 C ATOM 557 CG LYS A 109 21.281 -5.309 2.268 1.00 1.17 C ATOM 558 CD LYS A 109 21.127 -6.814 2.409 1.00 1.66 C ATOM 559 CE LYS A 109 22.354 -7.444 3.049 1.00 2.07 C ATOM 560 NZ LYS A 109 23.592 -7.188 2.266 1.00 2.72 N ATOM 0 H LYS A 109 17.568 -3.276 1.721 1.00 0.62 H new ATOM 0 HA LYS A 109 18.602 -5.807 2.811 1.00 0.73 H new ATOM 0 HB2 LYS A 109 19.839 -5.173 0.695 1.00 0.92 H new ATOM 0 HB3 LYS A 109 20.249 -3.635 1.428 1.00 0.92 H new ATOM 0 HG2 LYS A 109 22.152 -5.087 1.652 1.00 1.17 H new ATOM 0 HG3 LYS A 109 21.462 -4.867 3.248 1.00 1.17 H new ATOM 0 HD2 LYS A 109 20.247 -7.035 3.013 1.00 1.66 H new ATOM 0 HD3 LYS A 109 20.960 -7.257 1.427 1.00 1.66 H new ATOM 0 HE2 LYS A 109 22.477 -7.051 4.058 1.00 2.07 H new ATOM 0 HE3 LYS A 109 22.201 -8.519 3.142 1.00 2.07 H new ATOM 0 HZ1 LYS A 109 24.358 -7.796 2.619 1.00 2.72 H new ATOM 0 HZ2 LYS A 109 23.418 -7.399 1.263 1.00 2.72 H new ATOM 0 HZ3 LYS A 109 23.867 -6.190 2.368 1.00 2.72 H new ATOM 574 N LYS A 110 18.993 -2.662 3.726 1.00 0.62 N ATOM 575 CA LYS A 110 19.394 -1.803 4.840 1.00 0.73 C ATOM 576 C LYS A 110 18.376 -1.806 5.980 1.00 0.77 C ATOM 577 O LYS A 110 18.711 -2.125 7.122 1.00 1.53 O ATOM 578 CB LYS A 110 19.621 -0.369 4.359 1.00 0.93 C ATOM 579 CG LYS A 110 20.821 -0.204 3.439 1.00 1.14 C ATOM 580 CD LYS A 110 20.984 1.242 2.998 1.00 1.46 C ATOM 581 CE LYS A 110 22.282 1.455 2.234 1.00 1.80 C ATOM 582 NZ LYS A 110 23.476 1.135 3.061 1.00 1.59 N ATOM 0 H LYS A 110 18.692 -2.158 2.891 1.00 0.62 H new ATOM 0 HA LYS A 110 20.326 -2.213 5.229 1.00 0.73 H new ATOM 0 HB2 LYS A 110 18.727 -0.027 3.837 1.00 0.93 H new ATOM 0 HB3 LYS A 110 19.751 0.277 5.227 1.00 0.93 H new ATOM 0 HG2 LYS A 110 21.724 -0.534 3.953 1.00 1.14 H new ATOM 0 HG3 LYS A 110 20.701 -0.842 2.564 1.00 1.14 H new ATOM 0 HD2 LYS A 110 20.141 1.528 2.369 1.00 1.46 H new ATOM 0 HD3 LYS A 110 20.965 1.893 3.872 1.00 1.46 H new ATOM 0 HE2 LYS A 110 22.283 0.831 1.340 1.00 1.80 H new ATOM 0 HE3 LYS A 110 22.340 2.491 1.900 1.00 1.80 H new ATOM 0 HZ1 LYS A 110 24.320 1.569 2.635 1.00 1.59 H new ATOM 0 HZ2 LYS A 110 23.342 1.508 4.023 1.00 1.59 H new ATOM 0 HZ3 LYS A 110 23.602 0.104 3.104 1.00 1.59 H new ATOM 596 N SER A 111 17.142 -1.441 5.674 1.00 0.51 N ATOM 597 CA SER A 111 16.112 -1.313 6.689 1.00 0.52 C ATOM 598 C SER A 111 14.779 -1.804 6.133 1.00 0.48 C ATOM 599 O SER A 111 14.748 -2.633 5.228 1.00 0.86 O ATOM 600 CB SER A 111 16.013 0.153 7.135 1.00 0.72 C ATOM 601 OG SER A 111 15.218 0.292 8.303 1.00 1.55 O ATOM 0 H SER A 111 16.829 -1.228 4.727 1.00 0.51 H new ATOM 0 HA SER A 111 16.368 -1.923 7.555 1.00 0.52 H new ATOM 0 HB2 SER A 111 17.012 0.544 7.326 1.00 0.72 H new ATOM 0 HB3 SER A 111 15.585 0.751 6.330 1.00 0.72 H new ATOM 0 HG SER A 111 15.092 -0.586 8.719 1.00 1.55 H new ATOM 607 N LYS A 112 13.685 -1.298 6.676 1.00 0.39 N ATOM 608 CA LYS A 112 12.358 -1.711 6.252 1.00 0.32 C ATOM 609 C LYS A 112 11.573 -0.517 5.719 1.00 0.28 C ATOM 610 O LYS A 112 11.728 0.611 6.196 1.00 0.33 O ATOM 611 CB LYS A 112 11.608 -2.360 7.417 1.00 0.45 C ATOM 612 CG LYS A 112 12.356 -3.522 8.049 1.00 0.55 C ATOM 613 CD LYS A 112 11.559 -4.146 9.181 1.00 0.69 C ATOM 614 CE LYS A 112 12.355 -5.220 9.901 1.00 0.84 C ATOM 615 NZ LYS A 112 13.574 -4.669 10.549 1.00 1.53 N ATOM 0 H LYS A 112 13.690 -0.596 7.416 1.00 0.39 H new ATOM 0 HA LYS A 112 12.462 -2.443 5.451 1.00 0.32 H new ATOM 0 HB2 LYS A 112 11.415 -1.605 8.179 1.00 0.45 H new ATOM 0 HB3 LYS A 112 10.639 -2.712 7.064 1.00 0.45 H new ATOM 0 HG2 LYS A 112 12.566 -4.277 7.291 1.00 0.55 H new ATOM 0 HG3 LYS A 112 13.317 -3.175 8.428 1.00 0.55 H new ATOM 0 HD2 LYS A 112 11.267 -3.372 9.891 1.00 0.69 H new ATOM 0 HD3 LYS A 112 10.640 -4.578 8.784 1.00 0.69 H new ATOM 0 HE2 LYS A 112 11.726 -5.693 10.655 1.00 0.84 H new ATOM 0 HE3 LYS A 112 12.641 -5.996 9.191 1.00 0.84 H new ATOM 0 HZ1 LYS A 112 13.929 -5.346 11.254 1.00 1.53 H new ATOM 0 HZ2 LYS A 112 14.306 -4.504 9.829 1.00 1.53 H new ATOM 0 HZ3 LYS A 112 13.342 -3.770 11.018 1.00 1.53 H new ATOM 629 N TRP A 113 10.748 -0.769 4.713 1.00 0.24 N ATOM 630 CA TRP A 113 9.915 0.270 4.121 1.00 0.22 C ATOM 631 C TRP A 113 8.673 0.513 4.964 1.00 0.21 C ATOM 632 O TRP A 113 8.068 -0.430 5.480 1.00 0.25 O ATOM 633 CB TRP A 113 9.520 -0.108 2.691 1.00 0.22 C ATOM 634 CG TRP A 113 10.592 0.177 1.685 1.00 0.23 C ATOM 635 CD1 TRP A 113 11.912 -0.167 1.767 1.00 0.24 C ATOM 636 CD2 TRP A 113 10.433 0.859 0.435 1.00 0.24 C ATOM 637 NE1 TRP A 113 12.583 0.275 0.655 1.00 0.25 N ATOM 638 CE2 TRP A 113 11.699 0.904 -0.177 1.00 0.25 C ATOM 639 CE3 TRP A 113 9.345 1.440 -0.225 1.00 0.28 C ATOM 640 CZ2 TRP A 113 11.908 1.503 -1.414 1.00 0.29 C ATOM 641 CZ3 TRP A 113 9.555 2.032 -1.456 1.00 0.32 C ATOM 642 CH2 TRP A 113 10.829 2.058 -2.037 1.00 0.32 C ATOM 0 H TRP A 113 10.637 -1.689 4.287 1.00 0.24 H new ATOM 0 HA TRP A 113 10.495 1.192 4.090 1.00 0.22 H new ATOM 0 HB2 TRP A 113 9.274 -1.169 2.658 1.00 0.22 H new ATOM 0 HB3 TRP A 113 8.618 0.437 2.415 1.00 0.22 H new ATOM 0 HD1 TRP A 113 12.361 -0.708 2.587 1.00 0.24 H new ATOM 0 HE1 TRP A 113 13.580 0.154 0.478 1.00 0.25 H new ATOM 0 HE3 TRP A 113 8.360 1.426 0.219 1.00 0.28 H new ATOM 0 HZ2 TRP A 113 12.889 1.528 -1.865 1.00 0.29 H new ATOM 0 HZ3 TRP A 113 8.723 2.482 -1.978 1.00 0.32 H new ATOM 0 HH2 TRP A 113 10.960 2.528 -3.000 1.00 0.32 H new ATOM 653 N LYS A 114 8.304 1.779 5.094 1.00 0.20 N ATOM 654 CA LYS A 114 7.176 2.173 5.916 1.00 0.24 C ATOM 655 C LYS A 114 5.934 2.340 5.054 1.00 0.20 C ATOM 656 O LYS A 114 5.980 2.982 4.001 1.00 0.24 O ATOM 657 CB LYS A 114 7.504 3.477 6.654 1.00 0.37 C ATOM 658 CG LYS A 114 6.494 3.869 7.726 1.00 0.58 C ATOM 659 CD LYS A 114 5.292 4.595 7.141 1.00 1.04 C ATOM 660 CE LYS A 114 4.293 4.993 8.213 1.00 1.08 C ATOM 661 NZ LYS A 114 4.874 5.963 9.175 1.00 1.66 N ATOM 0 H LYS A 114 8.777 2.557 4.634 1.00 0.20 H new ATOM 0 HA LYS A 114 6.978 1.395 6.653 1.00 0.24 H new ATOM 0 HB2 LYS A 114 8.486 3.380 7.116 1.00 0.37 H new ATOM 0 HB3 LYS A 114 7.573 4.285 5.925 1.00 0.37 H new ATOM 0 HG2 LYS A 114 6.157 2.975 8.250 1.00 0.58 H new ATOM 0 HG3 LYS A 114 6.979 4.508 8.464 1.00 0.58 H new ATOM 0 HD2 LYS A 114 5.629 5.486 6.610 1.00 1.04 H new ATOM 0 HD3 LYS A 114 4.802 3.954 6.408 1.00 1.04 H new ATOM 0 HE2 LYS A 114 3.411 5.430 7.744 1.00 1.08 H new ATOM 0 HE3 LYS A 114 3.961 4.104 8.749 1.00 1.08 H new ATOM 0 HZ1 LYS A 114 4.152 6.236 9.871 1.00 1.66 H new ATOM 0 HZ2 LYS A 114 5.680 5.525 9.666 1.00 1.66 H new ATOM 0 HZ3 LYS A 114 5.198 6.808 8.663 1.00 1.66 H new ATOM 675 N TRP A 115 4.831 1.767 5.504 1.00 0.17 N ATOM 676 CA TRP A 115 3.578 1.867 4.780 1.00 0.15 C ATOM 677 C TRP A 115 2.460 2.306 5.709 1.00 0.16 C ATOM 678 O TRP A 115 2.546 2.130 6.926 1.00 0.18 O ATOM 679 CB TRP A 115 3.215 0.522 4.145 1.00 0.15 C ATOM 680 CG TRP A 115 2.969 -0.567 5.147 1.00 0.16 C ATOM 681 CD1 TRP A 115 3.904 -1.371 5.722 1.00 0.19 C ATOM 682 CD2 TRP A 115 1.707 -0.974 5.688 1.00 0.17 C ATOM 683 NE1 TRP A 115 3.305 -2.249 6.590 1.00 0.22 N ATOM 684 CE2 TRP A 115 1.957 -2.027 6.586 1.00 0.20 C ATOM 685 CE3 TRP A 115 0.391 -0.549 5.501 1.00 0.18 C ATOM 686 CZ2 TRP A 115 0.942 -2.662 7.292 1.00 0.23 C ATOM 687 CZ3 TRP A 115 -0.617 -1.178 6.203 1.00 0.20 C ATOM 688 CH2 TRP A 115 -0.337 -2.227 7.090 1.00 0.22 C ATOM 0 H TRP A 115 4.779 1.228 6.368 1.00 0.17 H new ATOM 0 HA TRP A 115 3.702 2.611 3.993 1.00 0.15 H new ATOM 0 HB2 TRP A 115 2.323 0.648 3.531 1.00 0.15 H new ATOM 0 HB3 TRP A 115 4.020 0.215 3.478 1.00 0.15 H new ATOM 0 HD1 TRP A 115 4.965 -1.325 5.524 1.00 0.19 H new ATOM 0 HE1 TRP A 115 3.788 -2.953 7.148 1.00 0.22 H new ATOM 0 HE3 TRP A 115 0.165 0.258 4.819 1.00 0.18 H new ATOM 0 HZ2 TRP A 115 1.157 -3.470 7.976 1.00 0.23 H new ATOM 0 HZ3 TRP A 115 -1.639 -0.857 6.067 1.00 0.20 H new ATOM 0 HH2 TRP A 115 -1.148 -2.700 7.624 1.00 0.22 H new ATOM 699 N GLU A 116 1.424 2.885 5.128 1.00 0.17 N ATOM 700 CA GLU A 116 0.229 3.241 5.868 1.00 0.20 C ATOM 701 C GLU A 116 -0.991 3.207 4.954 1.00 0.19 C ATOM 702 O GLU A 116 -0.956 3.708 3.827 1.00 0.25 O ATOM 703 CB GLU A 116 0.392 4.616 6.526 1.00 0.32 C ATOM 704 CG GLU A 116 0.998 5.667 5.616 1.00 0.50 C ATOM 705 CD GLU A 116 1.164 6.999 6.311 1.00 0.64 C ATOM 706 OE1 GLU A 116 0.316 7.889 6.101 1.00 1.40 O ATOM 707 OE2 GLU A 116 2.143 7.166 7.068 1.00 1.22 O ATOM 0 H GLU A 116 1.388 3.120 4.136 1.00 0.17 H new ATOM 0 HA GLU A 116 0.077 2.508 6.661 1.00 0.20 H new ATOM 0 HB2 GLU A 116 -0.584 4.963 6.865 1.00 0.32 H new ATOM 0 HB3 GLU A 116 1.019 4.512 7.412 1.00 0.32 H new ATOM 0 HG2 GLU A 116 1.969 5.321 5.261 1.00 0.50 H new ATOM 0 HG3 GLU A 116 0.364 5.794 4.738 1.00 0.50 H new ATOM 714 N LEU A 117 -2.060 2.589 5.437 1.00 0.17 N ATOM 715 CA LEU A 117 -3.288 2.468 4.670 1.00 0.16 C ATOM 716 C LEU A 117 -4.163 3.684 4.902 1.00 0.15 C ATOM 717 O LEU A 117 -4.335 4.125 6.038 1.00 0.19 O ATOM 718 CB LEU A 117 -4.062 1.209 5.060 1.00 0.19 C ATOM 719 CG LEU A 117 -5.337 0.974 4.250 1.00 0.21 C ATOM 720 CD1 LEU A 117 -5.024 0.317 2.917 1.00 0.22 C ATOM 721 CD2 LEU A 117 -6.327 0.145 5.038 1.00 0.25 C ATOM 0 H LEU A 117 -2.099 2.162 6.362 1.00 0.17 H new ATOM 0 HA LEU A 117 -3.020 2.398 3.616 1.00 0.16 H new ATOM 0 HB2 LEU A 117 -3.408 0.345 4.944 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -4.324 1.271 6.116 1.00 0.19 H new ATOM 0 HG LEU A 117 -5.790 1.945 4.047 1.00 0.21 H new ATOM 0 HD11 LEU A 117 -5.949 0.162 2.362 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -4.359 0.961 2.341 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -4.539 -0.644 3.090 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -7.227 -0.010 4.443 1.00 0.25 H new ATOM 0 HD22 LEU A 117 -5.882 -0.820 5.281 1.00 0.25 H new ATOM 0 HD23 LEU A 117 -6.587 0.667 5.959 1.00 0.25 H new ATOM 733 N HIS A 118 -4.714 4.220 3.830 1.00 0.13 N ATOM 734 CA HIS A 118 -5.510 5.429 3.916 1.00 0.14 C ATOM 735 C HIS A 118 -6.954 5.175 3.522 1.00 0.18 C ATOM 736 O HIS A 118 -7.238 4.360 2.647 1.00 0.21 O ATOM 737 CB HIS A 118 -4.923 6.522 3.020 1.00 0.18 C ATOM 738 CG HIS A 118 -3.628 7.090 3.520 1.00 0.20 C ATOM 739 ND1 HIS A 118 -3.334 8.433 3.474 1.00 0.50 N ATOM 740 CD2 HIS A 118 -2.550 6.493 4.085 1.00 0.24 C ATOM 741 CE1 HIS A 118 -2.138 8.635 3.991 1.00 0.45 C ATOM 742 NE2 HIS A 118 -1.640 7.479 4.372 1.00 0.22 N ATOM 0 H HIS A 118 -4.625 3.837 2.889 1.00 0.13 H new ATOM 0 HA HIS A 118 -5.489 5.759 4.955 1.00 0.14 H new ATOM 0 HB2 HIS A 118 -4.768 6.114 2.021 1.00 0.18 H new ATOM 0 HB3 HIS A 118 -5.649 7.329 2.925 1.00 0.18 H new ATOM 0 HD2 HIS A 118 -2.430 5.437 4.274 1.00 0.24 H new ATOM 0 HE1 HIS A 118 -1.648 9.593 4.086 1.00 0.45 H new ATOM 0 HE2 HIS A 118 -0.729 7.339 4.808 1.00 0.22 H new ATOM 751 N LYS A 119 -7.854 5.863 4.203 1.00 0.22 N ATOM 752 CA LYS A 119 -9.245 5.936 3.791 1.00 0.29 C ATOM 753 C LYS A 119 -9.427 7.162 2.900 1.00 0.27 C ATOM 754 O LYS A 119 -9.421 8.297 3.381 1.00 0.43 O ATOM 755 CB LYS A 119 -10.169 6.022 5.013 1.00 0.43 C ATOM 756 CG LYS A 119 -11.619 6.353 4.668 1.00 0.70 C ATOM 757 CD LYS A 119 -12.286 5.250 3.862 1.00 0.84 C ATOM 758 CE LYS A 119 -12.721 4.091 4.741 1.00 1.04 C ATOM 759 NZ LYS A 119 -13.833 4.470 5.650 1.00 1.69 N ATOM 0 H LYS A 119 -7.642 6.385 5.054 1.00 0.22 H new ATOM 0 HA LYS A 119 -9.508 5.034 3.238 1.00 0.29 H new ATOM 0 HB2 LYS A 119 -10.140 5.072 5.546 1.00 0.43 H new ATOM 0 HB3 LYS A 119 -9.785 6.781 5.694 1.00 0.43 H new ATOM 0 HG2 LYS A 119 -12.180 6.518 5.588 1.00 0.70 H new ATOM 0 HG3 LYS A 119 -11.652 7.284 4.102 1.00 0.70 H new ATOM 0 HD2 LYS A 119 -13.153 5.655 3.340 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -11.595 4.889 3.100 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -13.034 3.257 4.113 1.00 1.04 H new ATOM 0 HE3 LYS A 119 -11.872 3.745 5.331 1.00 1.04 H new ATOM 0 HZ1 LYS A 119 -14.311 3.611 5.991 1.00 1.69 H new ATOM 0 HZ2 LYS A 119 -13.454 5.000 6.461 1.00 1.69 H new ATOM 0 HZ3 LYS A 119 -14.514 5.065 5.136 1.00 1.69 H new ATOM 773 N LEU A 120 -9.572 6.933 1.607 1.00 0.23 N ATOM 774 CA LEU A 120 -9.642 8.024 0.650 1.00 0.26 C ATOM 775 C LEU A 120 -11.090 8.397 0.375 1.00 0.34 C ATOM 776 O LEU A 120 -11.947 7.532 0.205 1.00 0.37 O ATOM 777 CB LEU A 120 -8.926 7.661 -0.661 1.00 0.24 C ATOM 778 CG LEU A 120 -7.403 7.480 -0.567 1.00 0.20 C ATOM 779 CD1 LEU A 120 -6.762 8.621 0.211 1.00 0.25 C ATOM 780 CD2 LEU A 120 -7.046 6.142 0.049 1.00 0.21 C ATOM 0 H LEU A 120 -9.644 6.003 1.195 1.00 0.23 H new ATOM 0 HA LEU A 120 -9.133 8.884 1.085 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -9.359 6.737 -1.045 1.00 0.24 H new ATOM 0 HB3 LEU A 120 -9.135 8.440 -1.394 1.00 0.24 H new ATOM 0 HG LEU A 120 -7.006 7.498 -1.582 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -5.684 8.467 0.262 1.00 0.25 H new ATOM 0 HD12 LEU A 120 -6.970 9.566 -0.291 1.00 0.25 H new ATOM 0 HD13 LEU A 120 -7.172 8.649 1.220 1.00 0.25 H new ATOM 0 HD21 LEU A 120 -5.962 6.044 0.102 1.00 0.21 H new ATOM 0 HD22 LEU A 120 -7.465 6.080 1.053 1.00 0.21 H new ATOM 0 HD23 LEU A 120 -7.454 5.339 -0.565 1.00 0.21 H new ATOM 792 N GLU A 121 -11.350 9.698 0.340 1.00 0.46 N ATOM 793 CA GLU A 121 -12.700 10.211 0.138 1.00 0.57 C ATOM 794 C GLU A 121 -13.122 10.101 -1.323 1.00 0.58 C ATOM 795 O GLU A 121 -14.304 10.208 -1.647 1.00 0.69 O ATOM 796 CB GLU A 121 -12.786 11.675 0.578 1.00 0.70 C ATOM 797 CG GLU A 121 -12.497 11.906 2.055 1.00 0.80 C ATOM 798 CD GLU A 121 -12.601 13.368 2.436 1.00 1.63 C ATOM 799 OE1 GLU A 121 -11.569 14.070 2.411 1.00 2.36 O ATOM 800 OE2 GLU A 121 -13.723 13.829 2.748 1.00 2.22 O ATOM 0 H GLU A 121 -10.639 10.421 0.450 1.00 0.46 H new ATOM 0 HA GLU A 121 -13.374 9.606 0.744 1.00 0.57 H new ATOM 0 HB2 GLU A 121 -12.083 12.261 -0.013 1.00 0.70 H new ATOM 0 HB3 GLU A 121 -13.784 12.052 0.352 1.00 0.70 H new ATOM 0 HG2 GLU A 121 -13.197 11.325 2.656 1.00 0.80 H new ATOM 0 HG3 GLU A 121 -11.497 11.541 2.289 1.00 0.80 H new ATOM 807 N ASN A 122 -12.149 9.899 -2.201 1.00 0.53 N ATOM 808 CA ASN A 122 -12.413 9.833 -3.631 1.00 0.60 C ATOM 809 C ASN A 122 -11.303 9.049 -4.319 1.00 0.62 C ATOM 810 O ASN A 122 -10.124 9.251 -4.028 1.00 1.22 O ATOM 811 CB ASN A 122 -12.517 11.251 -4.203 1.00 0.73 C ATOM 812 CG ASN A 122 -13.106 11.301 -5.603 1.00 1.03 C ATOM 813 OD1 ASN A 122 -12.895 10.408 -6.421 1.00 1.16 O ATOM 814 ND2 ASN A 122 -13.869 12.348 -5.877 1.00 1.87 N ATOM 0 H ASN A 122 -11.169 9.778 -1.947 1.00 0.53 H new ATOM 0 HA ASN A 122 -13.359 9.321 -3.808 1.00 0.60 H new ATOM 0 HB2 ASN A 122 -13.131 11.858 -3.538 1.00 0.73 H new ATOM 0 HB3 ASN A 122 -11.524 11.701 -4.219 1.00 0.73 H new ATOM 0 HD21 ASN A 122 -14.306 12.434 -6.795 1.00 1.87 H new ATOM 0 HD22 ASN A 122 -14.020 13.068 -5.171 1.00 1.87 H new ATOM 821 N ALA A 123 -11.685 8.151 -5.216 1.00 0.67 N ATOM 822 CA ALA A 123 -10.726 7.275 -5.878 1.00 0.66 C ATOM 823 C ALA A 123 -10.376 7.769 -7.280 1.00 0.71 C ATOM 824 O ALA A 123 -9.526 7.191 -7.959 1.00 0.90 O ATOM 825 CB ALA A 123 -11.279 5.862 -5.945 1.00 0.69 C ATOM 0 H ALA A 123 -12.653 8.009 -5.503 1.00 0.67 H new ATOM 0 HA ALA A 123 -9.808 7.282 -5.290 1.00 0.66 H new ATOM 0 HB1 ALA A 123 -10.558 5.212 -6.441 1.00 0.69 H new ATOM 0 HB2 ALA A 123 -11.464 5.495 -4.935 1.00 0.69 H new ATOM 0 HB3 ALA A 123 -12.213 5.863 -6.507 1.00 0.69 H new ATOM 831 N ARG A 124 -11.031 8.834 -7.712 1.00 0.72 N ATOM 832 CA ARG A 124 -10.821 9.365 -9.054 1.00 0.83 C ATOM 833 C ARG A 124 -9.948 10.611 -9.013 1.00 0.75 C ATOM 834 O ARG A 124 -9.691 11.248 -10.037 1.00 0.86 O ATOM 835 CB ARG A 124 -12.160 9.679 -9.714 1.00 1.08 C ATOM 836 CG ARG A 124 -13.035 8.455 -9.929 1.00 1.37 C ATOM 837 CD ARG A 124 -14.374 8.838 -10.533 1.00 1.63 C ATOM 838 NE ARG A 124 -14.216 9.503 -11.825 1.00 2.28 N ATOM 839 CZ ARG A 124 -14.838 10.631 -12.165 1.00 2.84 C ATOM 840 NH1 ARG A 124 -15.668 11.222 -11.314 1.00 2.76 N ATOM 841 NH2 ARG A 124 -14.630 11.169 -13.359 1.00 3.84 N ATOM 0 H ARG A 124 -11.713 9.349 -7.155 1.00 0.72 H new ATOM 0 HA ARG A 124 -10.307 8.607 -9.645 1.00 0.83 H new ATOM 0 HB2 ARG A 124 -12.700 10.397 -9.097 1.00 1.08 H new ATOM 0 HB3 ARG A 124 -11.978 10.158 -10.676 1.00 1.08 H new ATOM 0 HG2 ARG A 124 -12.525 7.751 -10.586 1.00 1.37 H new ATOM 0 HG3 ARG A 124 -13.194 7.946 -8.978 1.00 1.37 H new ATOM 0 HD2 ARG A 124 -14.986 7.945 -10.656 1.00 1.63 H new ATOM 0 HD3 ARG A 124 -14.907 9.497 -9.848 1.00 1.63 H new ATOM 0 HE ARG A 124 -13.591 9.077 -12.509 1.00 2.28 H new ATOM 0 HH11 ARG A 124 -15.832 10.813 -10.394 1.00 2.76 H new ATOM 0 HH12 ARG A 124 -16.141 12.085 -11.580 1.00 2.76 H new ATOM 0 HH21 ARG A 124 -13.994 10.719 -14.017 1.00 3.84 H new ATOM 0 HH22 ARG A 124 -15.106 12.033 -13.619 1.00 3.84 H new ATOM 855 N LYS A 125 -9.499 10.951 -7.822 1.00 0.75 N ATOM 856 CA LYS A 125 -8.619 12.087 -7.619 1.00 0.68 C ATOM 857 C LYS A 125 -7.254 11.593 -7.176 1.00 0.55 C ATOM 858 O LYS A 125 -7.125 10.446 -6.748 1.00 0.53 O ATOM 859 CB LYS A 125 -9.201 13.027 -6.557 1.00 0.79 C ATOM 860 CG LYS A 125 -10.465 13.744 -6.996 1.00 0.93 C ATOM 861 CD LYS A 125 -10.969 14.679 -5.910 1.00 1.64 C ATOM 862 CE LYS A 125 -12.177 15.473 -6.374 1.00 1.90 C ATOM 863 NZ LYS A 125 -12.671 16.400 -5.322 1.00 2.26 N ATOM 0 H LYS A 125 -9.733 10.448 -6.966 1.00 0.75 H new ATOM 0 HA LYS A 125 -8.523 12.636 -8.556 1.00 0.68 H new ATOM 0 HB2 LYS A 125 -9.415 12.453 -5.656 1.00 0.79 H new ATOM 0 HB3 LYS A 125 -8.448 13.769 -6.291 1.00 0.79 H new ATOM 0 HG2 LYS A 125 -10.268 14.311 -7.906 1.00 0.93 H new ATOM 0 HG3 LYS A 125 -11.236 13.013 -7.237 1.00 0.93 H new ATOM 0 HD2 LYS A 125 -11.231 14.101 -5.024 1.00 1.64 H new ATOM 0 HD3 LYS A 125 -10.172 15.364 -5.620 1.00 1.64 H new ATOM 0 HE2 LYS A 125 -11.916 16.043 -7.266 1.00 1.90 H new ATOM 0 HE3 LYS A 125 -12.975 14.787 -6.657 1.00 1.90 H new ATOM 0 HZ1 LYS A 125 -13.496 16.923 -5.679 1.00 2.26 H new ATOM 0 HZ2 LYS A 125 -12.945 15.855 -4.480 1.00 2.26 H new ATOM 0 HZ3 LYS A 125 -11.918 17.072 -5.070 1.00 2.26 H new ATOM 877 N PRO A 126 -6.209 12.426 -7.301 1.00 0.51 N ATOM 878 CA PRO A 126 -4.895 12.098 -6.759 1.00 0.45 C ATOM 879 C PRO A 126 -4.996 11.848 -5.263 1.00 0.39 C ATOM 880 O PRO A 126 -5.425 12.725 -4.505 1.00 0.47 O ATOM 881 CB PRO A 126 -4.048 13.343 -7.046 1.00 0.51 C ATOM 882 CG PRO A 126 -5.031 14.422 -7.352 1.00 0.59 C ATOM 883 CD PRO A 126 -6.214 13.736 -7.970 1.00 0.60 C ATOM 0 HA PRO A 126 -4.467 11.197 -7.198 1.00 0.45 H new ATOM 0 HB2 PRO A 126 -3.430 13.605 -6.187 1.00 0.51 H new ATOM 0 HB3 PRO A 126 -3.373 13.175 -7.885 1.00 0.51 H new ATOM 0 HG2 PRO A 126 -5.318 14.957 -6.447 1.00 0.59 H new ATOM 0 HG3 PRO A 126 -4.605 15.157 -8.035 1.00 0.59 H new ATOM 0 HD2 PRO A 126 -7.140 14.281 -7.787 1.00 0.60 H new ATOM 0 HD3 PRO A 126 -6.108 13.640 -9.051 1.00 0.60 H new ATOM 891 N LEU A 127 -4.617 10.653 -4.844 1.00 0.32 N ATOM 892 CA LEU A 127 -4.832 10.229 -3.473 1.00 0.26 C ATOM 893 C LEU A 127 -4.032 11.085 -2.505 1.00 0.29 C ATOM 894 O LEU A 127 -2.928 11.533 -2.814 1.00 0.37 O ATOM 895 CB LEU A 127 -4.485 8.752 -3.312 1.00 0.24 C ATOM 896 CG LEU A 127 -5.189 7.811 -4.297 1.00 0.26 C ATOM 897 CD1 LEU A 127 -4.915 6.366 -3.934 1.00 0.26 C ATOM 898 CD2 LEU A 127 -6.689 8.077 -4.340 1.00 0.27 C ATOM 0 H LEU A 127 -4.159 9.959 -5.435 1.00 0.32 H new ATOM 0 HA LEU A 127 -5.888 10.361 -3.236 1.00 0.26 H new ATOM 0 HB2 LEU A 127 -3.408 8.633 -3.426 1.00 0.24 H new ATOM 0 HB3 LEU A 127 -4.735 8.444 -2.297 1.00 0.24 H new ATOM 0 HG LEU A 127 -4.788 8.004 -5.292 1.00 0.26 H new ATOM 0 HD11 LEU A 127 -5.422 5.711 -4.642 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -3.842 6.179 -3.970 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -5.284 6.167 -2.928 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -7.160 7.394 -5.047 1.00 0.27 H new ATOM 0 HD22 LEU A 127 -7.115 7.922 -3.348 1.00 0.27 H new ATOM 0 HD23 LEU A 127 -6.867 9.105 -4.655 1.00 0.27 H new ATOM 910 N LYS A 128 -4.603 11.307 -1.336 1.00 0.29 N ATOM 911 CA LYS A 128 -4.065 12.271 -0.397 1.00 0.36 C ATOM 912 C LYS A 128 -3.818 11.655 0.975 1.00 0.26 C ATOM 913 O LYS A 128 -4.410 10.634 1.341 1.00 0.23 O ATOM 914 CB LYS A 128 -5.031 13.449 -0.277 1.00 0.51 C ATOM 915 CG LYS A 128 -6.424 13.052 0.180 1.00 1.10 C ATOM 916 CD LYS A 128 -7.354 14.251 0.244 1.00 1.37 C ATOM 917 CE LYS A 128 -8.731 13.853 0.745 1.00 1.80 C ATOM 918 NZ LYS A 128 -9.652 15.013 0.836 1.00 2.27 N ATOM 0 H LYS A 128 -5.444 10.829 -1.013 1.00 0.29 H new ATOM 0 HA LYS A 128 -3.102 12.613 -0.776 1.00 0.36 H new ATOM 0 HB2 LYS A 128 -4.620 14.174 0.426 1.00 0.51 H new ATOM 0 HB3 LYS A 128 -5.104 13.948 -1.243 1.00 0.51 H new ATOM 0 HG2 LYS A 128 -6.834 12.309 -0.504 1.00 1.10 H new ATOM 0 HG3 LYS A 128 -6.366 12.583 1.162 1.00 1.10 H new ATOM 0 HD2 LYS A 128 -6.930 15.009 0.903 1.00 1.37 H new ATOM 0 HD3 LYS A 128 -7.440 14.701 -0.745 1.00 1.37 H new ATOM 0 HE2 LYS A 128 -9.157 13.105 0.076 1.00 1.80 H new ATOM 0 HE3 LYS A 128 -8.638 13.387 1.726 1.00 1.80 H new ATOM 0 HZ1 LYS A 128 -10.328 14.859 1.611 1.00 2.27 H new ATOM 0 HZ2 LYS A 128 -9.104 15.878 1.020 1.00 2.27 H new ATOM 0 HZ3 LYS A 128 -10.170 15.116 -0.060 1.00 2.27 H new ATOM 932 N ASP A 129 -2.932 12.291 1.717 1.00 0.32 N ATOM 933 CA ASP A 129 -2.575 11.871 3.066 1.00 0.39 C ATOM 934 C ASP A 129 -3.516 12.491 4.092 1.00 0.45 C ATOM 935 O ASP A 129 -4.260 13.418 3.777 1.00 0.51 O ATOM 936 CB ASP A 129 -1.130 12.273 3.387 1.00 0.59 C ATOM 937 CG ASP A 129 -0.959 13.775 3.531 1.00 1.00 C ATOM 938 OD1 ASP A 129 -1.031 14.281 4.667 1.00 1.56 O ATOM 939 OD2 ASP A 129 -0.748 14.455 2.502 1.00 1.88 O ATOM 0 H ASP A 129 -2.433 13.122 1.401 1.00 0.32 H new ATOM 0 HA ASP A 129 -2.665 10.786 3.115 1.00 0.39 H new ATOM 0 HB2 ASP A 129 -0.818 11.786 4.311 1.00 0.59 H new ATOM 0 HB3 ASP A 129 -0.472 11.910 2.597 1.00 0.59 H new ATOM 944 N GLY A 130 -3.479 11.972 5.313 1.00 0.51 N ATOM 945 CA GLY A 130 -4.293 12.529 6.377 1.00 0.62 C ATOM 946 C GLY A 130 -5.165 11.497 7.061 1.00 0.60 C ATOM 947 O GLY A 130 -5.336 11.541 8.281 1.00 0.75 O ATOM 0 H GLY A 130 -2.901 11.177 5.585 1.00 0.51 H new ATOM 0 HA2 GLY A 130 -3.643 12.995 7.118 1.00 0.62 H new ATOM 0 HA3 GLY A 130 -4.926 13.317 5.968 1.00 0.62 H new ATOM 951 N ASN A 131 -5.719 10.570 6.301 1.00 0.47 N ATOM 952 CA ASN A 131 -6.496 9.492 6.889 1.00 0.46 C ATOM 953 C ASN A 131 -5.693 8.211 6.879 1.00 0.40 C ATOM 954 O ASN A 131 -5.485 7.617 5.828 1.00 0.46 O ATOM 955 CB ASN A 131 -7.808 9.268 6.142 1.00 0.51 C ATOM 956 CG ASN A 131 -8.751 10.443 6.244 1.00 1.32 C ATOM 957 OD1 ASN A 131 -9.525 10.553 7.194 1.00 2.28 O ATOM 958 ND2 ASN A 131 -8.710 11.321 5.255 1.00 1.45 N ATOM 0 H ASN A 131 -5.647 10.540 5.284 1.00 0.47 H new ATOM 0 HA ASN A 131 -6.731 9.779 7.914 1.00 0.46 H new ATOM 0 HB2 ASN A 131 -7.593 9.071 5.092 1.00 0.51 H new ATOM 0 HB3 ASN A 131 -8.299 8.379 6.539 1.00 0.51 H new ATOM 0 HD21 ASN A 131 -9.336 12.127 5.262 1.00 1.45 H new ATOM 0 HD22 ASN A 131 -8.053 11.192 4.486 1.00 1.45 H new ATOM 965 N VAL A 132 -5.236 7.792 8.038 1.00 0.36 N ATOM 966 CA VAL A 132 -4.483 6.562 8.149 1.00 0.31 C ATOM 967 C VAL A 132 -5.205 5.586 9.069 1.00 0.28 C ATOM 968 O VAL A 132 -5.636 5.940 10.168 1.00 0.35 O ATOM 969 CB VAL A 132 -3.039 6.807 8.645 1.00 0.35 C ATOM 970 CG1 VAL A 132 -3.032 7.543 9.974 1.00 0.73 C ATOM 971 CG2 VAL A 132 -2.277 5.496 8.759 1.00 0.71 C ATOM 0 H VAL A 132 -5.373 8.286 8.920 1.00 0.36 H new ATOM 0 HA VAL A 132 -4.412 6.129 7.151 1.00 0.31 H new ATOM 0 HB VAL A 132 -2.538 7.435 7.908 1.00 0.35 H new ATOM 0 HG11 VAL A 132 -2.003 7.701 10.297 1.00 0.73 H new ATOM 0 HG12 VAL A 132 -3.528 8.507 9.859 1.00 0.73 H new ATOM 0 HG13 VAL A 132 -3.560 6.950 10.721 1.00 0.73 H new ATOM 0 HG21 VAL A 132 -1.264 5.693 9.110 1.00 0.71 H new ATOM 0 HG22 VAL A 132 -2.785 4.840 9.467 1.00 0.71 H new ATOM 0 HG23 VAL A 132 -2.235 5.013 7.783 1.00 0.71 H new ATOM 981 N ILE A 133 -5.370 4.368 8.593 1.00 0.23 N ATOM 982 CA ILE A 133 -6.077 3.348 9.343 1.00 0.26 C ATOM 983 C ILE A 133 -5.084 2.343 9.913 1.00 0.28 C ATOM 984 O ILE A 133 -5.068 2.075 11.113 1.00 0.38 O ATOM 985 CB ILE A 133 -7.098 2.609 8.452 1.00 0.31 C ATOM 986 CG1 ILE A 133 -7.948 3.603 7.647 1.00 0.34 C ATOM 987 CG2 ILE A 133 -7.988 1.714 9.300 1.00 0.38 C ATOM 988 CD1 ILE A 133 -8.793 4.528 8.499 1.00 0.35 C ATOM 0 H ILE A 133 -5.022 4.059 7.685 1.00 0.23 H new ATOM 0 HA ILE A 133 -6.615 3.838 10.154 1.00 0.26 H new ATOM 0 HB ILE A 133 -6.546 1.988 7.746 1.00 0.31 H new ATOM 0 HG12 ILE A 133 -7.289 4.204 7.021 1.00 0.34 H new ATOM 0 HG13 ILE A 133 -8.602 3.045 6.977 1.00 0.34 H new ATOM 0 HG21 ILE A 133 -8.703 1.199 8.658 1.00 0.38 H new ATOM 0 HG22 ILE A 133 -7.374 0.980 9.822 1.00 0.38 H new ATOM 0 HG23 ILE A 133 -8.526 2.321 10.029 1.00 0.38 H new ATOM 0 HD11 ILE A 133 -9.362 5.198 7.854 1.00 0.35 H new ATOM 0 HD12 ILE A 133 -9.480 3.938 9.106 1.00 0.35 H new ATOM 0 HD13 ILE A 133 -8.146 5.115 9.151 1.00 0.35 H new ATOM 1000 N GLU A 134 -4.233 1.830 9.040 1.00 0.25 N ATOM 1001 CA GLU A 134 -3.229 0.842 9.408 1.00 0.30 C ATOM 1002 C GLU A 134 -1.867 1.349 8.971 1.00 0.23 C ATOM 1003 O GLU A 134 -1.785 2.172 8.060 1.00 0.21 O ATOM 1004 CB GLU A 134 -3.515 -0.496 8.723 1.00 0.43 C ATOM 1005 CG GLU A 134 -4.877 -1.082 9.048 1.00 0.63 C ATOM 1006 CD GLU A 134 -4.933 -1.740 10.408 1.00 0.74 C ATOM 1007 OE1 GLU A 134 -4.881 -1.022 11.430 1.00 1.50 O ATOM 1008 OE2 GLU A 134 -5.048 -2.980 10.459 1.00 1.42 O ATOM 0 H GLU A 134 -4.218 2.087 8.053 1.00 0.25 H new ATOM 0 HA GLU A 134 -3.252 0.691 10.487 1.00 0.30 H new ATOM 0 HB2 GLU A 134 -3.437 -0.363 7.644 1.00 0.43 H new ATOM 0 HB3 GLU A 134 -2.745 -1.212 9.012 1.00 0.43 H new ATOM 0 HG2 GLU A 134 -5.626 -0.291 9.003 1.00 0.63 H new ATOM 0 HG3 GLU A 134 -5.141 -1.815 8.286 1.00 0.63 H new ATOM 1015 N LYS A 135 -0.808 0.866 9.599 1.00 0.28 N ATOM 1016 CA LYS A 135 0.538 1.305 9.257 1.00 0.25 C ATOM 1017 C LYS A 135 1.587 0.418 9.904 1.00 0.27 C ATOM 1018 O LYS A 135 1.323 -0.256 10.904 1.00 0.34 O ATOM 1019 CB LYS A 135 0.756 2.761 9.684 1.00 0.32 C ATOM 1020 CG LYS A 135 0.452 3.016 11.149 1.00 0.56 C ATOM 1021 CD LYS A 135 0.721 4.456 11.539 1.00 0.62 C ATOM 1022 CE LYS A 135 0.504 4.679 13.026 1.00 0.74 C ATOM 1023 NZ LYS A 135 -0.877 4.335 13.453 1.00 1.53 N ATOM 0 H LYS A 135 -0.852 0.172 10.346 1.00 0.28 H new ATOM 0 HA LYS A 135 0.643 1.231 8.175 1.00 0.25 H new ATOM 0 HB2 LYS A 135 1.790 3.039 9.482 1.00 0.32 H new ATOM 0 HB3 LYS A 135 0.127 3.408 9.073 1.00 0.32 H new ATOM 0 HG2 LYS A 135 -0.591 2.774 11.351 1.00 0.56 H new ATOM 0 HG3 LYS A 135 1.058 2.353 11.766 1.00 0.56 H new ATOM 0 HD2 LYS A 135 1.745 4.720 11.276 1.00 0.62 H new ATOM 0 HD3 LYS A 135 0.066 5.116 10.971 1.00 0.62 H new ATOM 0 HE2 LYS A 135 1.217 4.076 13.589 1.00 0.74 H new ATOM 0 HE3 LYS A 135 0.707 5.722 13.268 1.00 0.74 H new ATOM 0 HZ1 LYS A 135 -1.030 4.660 14.429 1.00 1.53 H new ATOM 0 HZ2 LYS A 135 -1.561 4.800 12.823 1.00 1.53 H new ATOM 0 HZ3 LYS A 135 -1.008 3.304 13.406 1.00 1.53 H new ATOM 1037 N GLY A 136 2.776 0.423 9.326 1.00 0.30 N ATOM 1038 CA GLY A 136 3.876 -0.337 9.871 1.00 0.38 C ATOM 1039 C GLY A 136 5.018 -0.441 8.891 1.00 0.34 C ATOM 1040 O GLY A 136 5.248 0.476 8.100 1.00 0.29 O ATOM 0 H GLY A 136 2.999 0.946 8.480 1.00 0.30 H new ATOM 0 HA2 GLY A 136 4.226 0.135 10.789 1.00 0.38 H new ATOM 0 HA3 GLY A 136 3.532 -1.336 10.137 1.00 0.38 H new ATOM 1044 N PHE A 137 5.718 -1.559 8.930 1.00 0.38 N ATOM 1045 CA PHE A 137 6.811 -1.806 8.008 1.00 0.32 C ATOM 1046 C PHE A 137 6.455 -2.991 7.130 1.00 0.33 C ATOM 1047 O PHE A 137 5.661 -3.837 7.545 1.00 0.46 O ATOM 1048 CB PHE A 137 8.111 -2.092 8.764 1.00 0.42 C ATOM 1049 CG PHE A 137 8.495 -1.026 9.755 1.00 1.07 C ATOM 1050 CD1 PHE A 137 8.285 -1.218 11.112 1.00 2.05 C ATOM 1051 CD2 PHE A 137 9.064 0.167 9.332 1.00 1.81 C ATOM 1052 CE1 PHE A 137 8.635 -0.244 12.027 1.00 2.86 C ATOM 1053 CE2 PHE A 137 9.415 1.142 10.245 1.00 2.60 C ATOM 1054 CZ PHE A 137 9.201 0.937 11.594 1.00 2.93 C ATOM 0 H PHE A 137 5.548 -2.314 9.594 1.00 0.38 H new ATOM 0 HA PHE A 137 6.965 -0.918 7.395 1.00 0.32 H new ATOM 0 HB2 PHE A 137 8.011 -3.042 9.289 1.00 0.42 H new ATOM 0 HB3 PHE A 137 8.919 -2.210 8.043 1.00 0.42 H new ATOM 0 HD1 PHE A 137 7.842 -2.140 11.458 1.00 2.05 H new ATOM 0 HD2 PHE A 137 9.234 0.335 8.279 1.00 1.81 H new ATOM 0 HE1 PHE A 137 8.466 -0.407 13.081 1.00 2.86 H new ATOM 0 HE2 PHE A 137 9.857 2.066 9.904 1.00 2.60 H new ATOM 0 HZ PHE A 137 9.476 1.699 12.308 1.00 2.93 H new ATOM 1064 N VAL A 138 7.000 -3.051 5.925 1.00 0.27 N ATOM 1065 CA VAL A 138 6.658 -4.133 5.013 1.00 0.41 C ATOM 1066 C VAL A 138 7.068 -5.485 5.598 1.00 0.70 C ATOM 1067 O VAL A 138 6.204 -6.270 5.989 1.00 1.41 O ATOM 1068 CB VAL A 138 7.291 -3.934 3.620 1.00 0.53 C ATOM 1069 CG1 VAL A 138 6.985 -5.113 2.718 1.00 0.76 C ATOM 1070 CG2 VAL A 138 6.791 -2.648 2.978 1.00 0.48 C ATOM 0 H VAL A 138 7.671 -2.375 5.559 1.00 0.27 H new ATOM 0 HA VAL A 138 5.575 -4.119 4.887 1.00 0.41 H new ATOM 0 HB VAL A 138 8.371 -3.863 3.751 1.00 0.53 H new ATOM 0 HG11 VAL A 138 7.441 -4.952 1.741 1.00 0.76 H new ATOM 0 HG12 VAL A 138 7.388 -6.024 3.161 1.00 0.76 H new ATOM 0 HG13 VAL A 138 5.906 -5.212 2.603 1.00 0.76 H new ATOM 0 HG21 VAL A 138 7.251 -2.529 1.997 1.00 0.48 H new ATOM 0 HG22 VAL A 138 5.708 -2.694 2.868 1.00 0.48 H new ATOM 0 HG23 VAL A 138 7.056 -1.799 3.609 1.00 0.48 H new ATOM 1080 N SER A 139 8.383 -5.716 5.692 1.00 0.32 N ATOM 1081 CA SER A 139 8.952 -6.880 6.387 1.00 0.51 C ATOM 1082 C SER A 139 8.622 -8.227 5.711 1.00 0.39 C ATOM 1083 O SER A 139 9.533 -8.966 5.325 1.00 1.13 O ATOM 1084 CB SER A 139 8.488 -6.892 7.850 1.00 1.03 C ATOM 1085 OG SER A 139 9.138 -7.909 8.593 1.00 1.68 O ATOM 0 H SER A 139 9.087 -5.099 5.287 1.00 0.32 H new ATOM 0 HA SER A 139 10.036 -6.773 6.336 1.00 0.51 H new ATOM 0 HB2 SER A 139 8.690 -5.922 8.305 1.00 1.03 H new ATOM 0 HB3 SER A 139 7.409 -7.044 7.889 1.00 1.03 H new ATOM 0 HG SER A 139 8.822 -7.889 9.521 1.00 1.68 H new ATOM 1091 N ASN A 140 7.332 -8.527 5.575 1.00 0.51 N ATOM 1092 CA ASN A 140 6.853 -9.829 5.103 1.00 0.34 C ATOM 1093 C ASN A 140 7.478 -10.229 3.766 1.00 0.27 C ATOM 1094 O ASN A 140 7.307 -9.553 2.751 1.00 0.37 O ATOM 1095 CB ASN A 140 5.326 -9.802 4.980 1.00 0.37 C ATOM 1096 CG ASN A 140 4.733 -11.122 4.512 1.00 0.38 C ATOM 1097 OD1 ASN A 140 3.733 -11.138 3.797 1.00 0.94 O ATOM 1098 ND2 ASN A 140 5.319 -12.235 4.930 1.00 0.88 N ATOM 0 H ASN A 140 6.582 -7.870 5.790 1.00 0.51 H new ATOM 0 HA ASN A 140 7.156 -10.576 5.836 1.00 0.34 H new ATOM 0 HB2 ASN A 140 4.896 -9.542 5.947 1.00 0.37 H new ATOM 0 HB3 ASN A 140 5.039 -9.016 4.282 1.00 0.37 H new ATOM 0 HD21 ASN A 140 4.941 -13.143 4.659 1.00 0.88 H new ATOM 0 HD22 ASN A 140 6.148 -12.184 5.523 1.00 0.88 H new ATOM 1105 N GLN A 141 8.187 -11.347 3.788 1.00 0.35 N ATOM 1106 CA GLN A 141 8.872 -11.866 2.616 1.00 0.32 C ATOM 1107 C GLN A 141 8.067 -13.017 2.013 1.00 0.30 C ATOM 1108 O GLN A 141 8.188 -14.161 2.452 1.00 0.36 O ATOM 1109 CB GLN A 141 10.261 -12.367 3.025 1.00 0.39 C ATOM 1110 CG GLN A 141 11.209 -12.613 1.863 1.00 0.39 C ATOM 1111 CD GLN A 141 11.813 -11.331 1.330 1.00 0.52 C ATOM 1112 OE1 GLN A 141 12.867 -10.895 1.788 1.00 0.69 O ATOM 1113 NE2 GLN A 141 11.155 -10.717 0.362 1.00 0.63 N ATOM 0 H GLN A 141 8.303 -11.921 4.623 1.00 0.35 H new ATOM 0 HA GLN A 141 8.972 -11.075 1.873 1.00 0.32 H new ATOM 0 HB2 GLN A 141 10.713 -11.638 3.698 1.00 0.39 H new ATOM 0 HB3 GLN A 141 10.148 -13.294 3.588 1.00 0.39 H new ATOM 0 HG2 GLN A 141 12.008 -13.282 2.184 1.00 0.39 H new ATOM 0 HG3 GLN A 141 10.672 -13.120 1.061 1.00 0.39 H new ATOM 0 HE21 GLN A 141 10.283 -11.111 0.009 1.00 0.63 H new ATOM 0 HE22 GLN A 141 11.519 -9.849 -0.032 1.00 0.63 H new ATOM 1122 N ILE A 142 7.234 -12.722 1.024 1.00 0.25 N ATOM 1123 CA ILE A 142 6.421 -13.761 0.389 1.00 0.27 C ATOM 1124 C ILE A 142 7.177 -14.427 -0.755 1.00 0.30 C ATOM 1125 O ILE A 142 6.733 -15.426 -1.317 1.00 0.37 O ATOM 1126 CB ILE A 142 5.072 -13.222 -0.128 1.00 0.27 C ATOM 1127 CG1 ILE A 142 5.277 -12.094 -1.145 1.00 0.24 C ATOM 1128 CG2 ILE A 142 4.225 -12.743 1.036 1.00 0.29 C ATOM 1129 CD1 ILE A 142 4.010 -11.712 -1.882 1.00 0.26 C ATOM 0 H ILE A 142 7.101 -11.785 0.645 1.00 0.25 H new ATOM 0 HA ILE A 142 6.212 -14.500 1.163 1.00 0.27 H new ATOM 0 HB ILE A 142 4.551 -14.034 -0.636 1.00 0.27 H new ATOM 0 HG12 ILE A 142 5.667 -11.217 -0.630 1.00 0.24 H new ATOM 0 HG13 ILE A 142 6.032 -12.400 -1.869 1.00 0.24 H new ATOM 0 HG21 ILE A 142 3.274 -12.364 0.662 1.00 0.29 H new ATOM 0 HG22 ILE A 142 4.042 -13.573 1.718 1.00 0.29 H new ATOM 0 HG23 ILE A 142 4.750 -11.948 1.565 1.00 0.29 H new ATOM 0 HD11 ILE A 142 4.227 -10.908 -2.586 1.00 0.26 H new ATOM 0 HD12 ILE A 142 3.630 -12.577 -2.425 1.00 0.26 H new ATOM 0 HD13 ILE A 142 3.260 -11.375 -1.166 1.00 0.26 H new ATOM 1141 N GLY A 143 8.311 -13.847 -1.098 1.00 0.28 N ATOM 1142 CA GLY A 143 9.210 -14.436 -2.066 1.00 0.34 C ATOM 1143 C GLY A 143 10.586 -13.856 -1.875 1.00 0.40 C ATOM 1144 O GLY A 143 10.709 -12.838 -1.205 1.00 0.53 O ATOM 0 H GLY A 143 8.632 -12.958 -0.714 1.00 0.28 H new ATOM 0 HA2 GLY A 143 9.238 -15.519 -1.944 1.00 0.34 H new ATOM 0 HA3 GLY A 143 8.856 -14.239 -3.078 1.00 0.34 H new ATOM 1148 N ASP A 144 11.611 -14.471 -2.446 1.00 0.48 N ATOM 1149 CA ASP A 144 12.990 -14.030 -2.213 1.00 0.56 C ATOM 1150 C ASP A 144 13.177 -12.562 -2.594 1.00 0.48 C ATOM 1151 O ASP A 144 13.963 -11.844 -1.973 1.00 0.56 O ATOM 1152 CB ASP A 144 13.991 -14.904 -2.983 1.00 0.70 C ATOM 1153 CG ASP A 144 13.978 -14.654 -4.478 1.00 1.63 C ATOM 1154 OD1 ASP A 144 13.193 -15.316 -5.188 1.00 2.49 O ATOM 1155 OD2 ASP A 144 14.762 -13.805 -4.951 1.00 2.30 O ATOM 0 H ASP A 144 11.522 -15.272 -3.071 1.00 0.48 H new ATOM 0 HA ASP A 144 13.185 -14.137 -1.146 1.00 0.56 H new ATOM 0 HB2 ASP A 144 14.994 -14.719 -2.599 1.00 0.70 H new ATOM 0 HB3 ASP A 144 13.766 -15.954 -2.795 1.00 0.70 H new ATOM 1160 N SER A 145 12.439 -12.115 -3.597 1.00 0.38 N ATOM 1161 CA SER A 145 12.506 -10.734 -4.039 1.00 0.35 C ATOM 1162 C SER A 145 11.122 -10.095 -4.031 1.00 0.31 C ATOM 1163 O SER A 145 10.865 -9.137 -4.761 1.00 0.36 O ATOM 1164 CB SER A 145 13.107 -10.668 -5.441 1.00 0.38 C ATOM 1165 OG SER A 145 14.435 -11.170 -5.450 1.00 1.08 O ATOM 0 H SER A 145 11.783 -12.693 -4.122 1.00 0.38 H new ATOM 0 HA SER A 145 13.142 -10.179 -3.349 1.00 0.35 H new ATOM 0 HB2 SER A 145 12.492 -11.245 -6.132 1.00 0.38 H new ATOM 0 HB3 SER A 145 13.102 -9.637 -5.794 1.00 0.38 H new ATOM 0 HG SER A 145 14.415 -12.149 -5.415 1.00 1.08 H new ATOM 1171 N LEU A 146 10.242 -10.610 -3.186 1.00 0.27 N ATOM 1172 CA LEU A 146 8.865 -10.159 -3.170 1.00 0.22 C ATOM 1173 C LEU A 146 8.388 -9.950 -1.734 1.00 0.21 C ATOM 1174 O LEU A 146 8.526 -10.835 -0.885 1.00 0.23 O ATOM 1175 CB LEU A 146 7.984 -11.185 -3.882 1.00 0.23 C ATOM 1176 CG LEU A 146 6.681 -10.646 -4.461 1.00 0.23 C ATOM 1177 CD1 LEU A 146 6.963 -9.611 -5.536 1.00 0.26 C ATOM 1178 CD2 LEU A 146 5.846 -11.782 -5.023 1.00 0.27 C ATOM 0 H LEU A 146 10.459 -11.338 -2.506 1.00 0.27 H new ATOM 0 HA LEU A 146 8.796 -9.205 -3.693 1.00 0.22 H new ATOM 0 HB2 LEU A 146 8.561 -11.634 -4.690 1.00 0.23 H new ATOM 0 HB3 LEU A 146 7.746 -11.983 -3.179 1.00 0.23 H new ATOM 0 HG LEU A 146 6.119 -10.164 -3.661 1.00 0.23 H new ATOM 0 HD11 LEU A 146 6.021 -9.238 -5.938 1.00 0.26 H new ATOM 0 HD12 LEU A 146 7.527 -8.784 -5.105 1.00 0.26 H new ATOM 0 HD13 LEU A 146 7.543 -10.068 -6.338 1.00 0.26 H new ATOM 0 HD21 LEU A 146 4.918 -11.383 -5.433 1.00 0.27 H new ATOM 0 HD22 LEU A 146 6.403 -12.288 -5.811 1.00 0.27 H new ATOM 0 HD23 LEU A 146 5.616 -12.492 -4.229 1.00 0.27 H new ATOM 1190 N TYR A 147 7.844 -8.773 -1.468 1.00 0.18 N ATOM 1191 CA TYR A 147 7.373 -8.420 -0.136 1.00 0.18 C ATOM 1192 C TYR A 147 5.875 -8.144 -0.162 1.00 0.16 C ATOM 1193 O TYR A 147 5.322 -7.835 -1.212 1.00 0.19 O ATOM 1194 CB TYR A 147 8.117 -7.186 0.376 1.00 0.19 C ATOM 1195 CG TYR A 147 9.568 -7.431 0.727 1.00 0.23 C ATOM 1196 CD1 TYR A 147 9.944 -7.748 2.028 1.00 1.21 C ATOM 1197 CD2 TYR A 147 10.564 -7.341 -0.239 1.00 1.10 C ATOM 1198 CE1 TYR A 147 11.266 -7.971 2.354 1.00 1.24 C ATOM 1199 CE2 TYR A 147 11.888 -7.562 0.080 1.00 1.10 C ATOM 1200 CZ TYR A 147 12.233 -7.877 1.377 1.00 0.36 C ATOM 1201 OH TYR A 147 13.549 -8.107 1.699 1.00 0.43 O ATOM 0 H TYR A 147 7.716 -8.039 -2.164 1.00 0.18 H new ATOM 0 HA TYR A 147 7.568 -9.257 0.534 1.00 0.18 H new ATOM 0 HB2 TYR A 147 8.066 -6.406 -0.383 1.00 0.19 H new ATOM 0 HB3 TYR A 147 7.602 -6.806 1.258 1.00 0.19 H new ATOM 0 HD1 TYR A 147 9.188 -7.821 2.796 1.00 1.21 H new ATOM 0 HD2 TYR A 147 10.297 -7.094 -1.256 1.00 1.10 H new ATOM 0 HE1 TYR A 147 11.541 -8.218 3.369 1.00 1.24 H new ATOM 0 HE2 TYR A 147 12.650 -7.489 -0.682 1.00 1.10 H new ATOM 0 HH TYR A 147 13.697 -9.070 1.802 1.00 0.43 H new ATOM 1211 N LYS A 148 5.221 -8.246 0.988 1.00 0.17 N ATOM 1212 CA LYS A 148 3.774 -8.063 1.052 1.00 0.18 C ATOM 1213 C LYS A 148 3.347 -7.301 2.305 1.00 0.19 C ATOM 1214 O LYS A 148 3.916 -7.476 3.382 1.00 0.28 O ATOM 1215 CB LYS A 148 3.079 -9.424 1.018 1.00 0.26 C ATOM 1216 CG LYS A 148 1.561 -9.350 1.105 1.00 0.34 C ATOM 1217 CD LYS A 148 0.945 -10.736 1.180 1.00 0.50 C ATOM 1218 CE LYS A 148 -0.557 -10.670 1.416 1.00 0.62 C ATOM 1219 NZ LYS A 148 -1.164 -12.024 1.515 1.00 0.84 N ATOM 0 H LYS A 148 5.664 -8.453 1.883 1.00 0.17 H new ATOM 0 HA LYS A 148 3.479 -7.470 0.186 1.00 0.18 H new ATOM 0 HB2 LYS A 148 3.355 -9.938 0.097 1.00 0.26 H new ATOM 0 HB3 LYS A 148 3.450 -10.030 1.844 1.00 0.26 H new ATOM 0 HG2 LYS A 148 1.273 -8.773 1.984 1.00 0.34 H new ATOM 0 HG3 LYS A 148 1.170 -8.822 0.235 1.00 0.34 H new ATOM 0 HD2 LYS A 148 1.145 -11.274 0.253 1.00 0.50 H new ATOM 0 HD3 LYS A 148 1.416 -11.301 1.985 1.00 0.50 H new ATOM 0 HE2 LYS A 148 -0.756 -10.115 2.333 1.00 0.62 H new ATOM 0 HE3 LYS A 148 -1.028 -10.120 0.602 1.00 0.62 H new ATOM 0 HZ1 LYS A 148 -2.188 -11.935 1.676 1.00 0.84 H new ATOM 0 HZ2 LYS A 148 -0.997 -12.545 0.631 1.00 0.84 H new ATOM 0 HZ3 LYS A 148 -0.733 -12.541 2.308 1.00 0.84 H new ATOM 1233 N ILE A 149 2.340 -6.455 2.143 1.00 0.15 N ATOM 1234 CA ILE A 149 1.719 -5.752 3.255 1.00 0.18 C ATOM 1235 C ILE A 149 0.211 -5.923 3.195 1.00 0.22 C ATOM 1236 O ILE A 149 -0.382 -5.838 2.122 1.00 0.35 O ATOM 1237 CB ILE A 149 2.063 -4.249 3.257 1.00 0.18 C ATOM 1238 CG1 ILE A 149 1.830 -3.631 1.872 1.00 0.19 C ATOM 1239 CG2 ILE A 149 3.496 -4.049 3.700 1.00 0.19 C ATOM 1240 CD1 ILE A 149 2.110 -2.146 1.810 1.00 0.20 C ATOM 0 H ILE A 149 1.930 -6.237 1.235 1.00 0.15 H new ATOM 0 HA ILE A 149 2.112 -6.186 4.174 1.00 0.18 H new ATOM 0 HB ILE A 149 1.404 -3.742 3.961 1.00 0.18 H new ATOM 0 HG12 ILE A 149 2.463 -4.141 1.146 1.00 0.19 H new ATOM 0 HG13 ILE A 149 0.797 -3.809 1.574 1.00 0.19 H new ATOM 0 HG21 ILE A 149 3.732 -2.985 3.699 1.00 0.19 H new ATOM 0 HG22 ILE A 149 3.625 -4.448 4.706 1.00 0.19 H new ATOM 0 HG23 ILE A 149 4.165 -4.570 3.015 1.00 0.19 H new ATOM 0 HD11 ILE A 149 1.923 -1.782 0.800 1.00 0.20 H new ATOM 0 HD12 ILE A 149 1.459 -1.623 2.510 1.00 0.20 H new ATOM 0 HD13 ILE A 149 3.151 -1.961 2.075 1.00 0.20 H new ATOM 1252 N GLU A 150 -0.405 -6.186 4.334 1.00 0.24 N ATOM 1253 CA GLU A 150 -1.842 -6.385 4.387 1.00 0.27 C ATOM 1254 C GLU A 150 -2.446 -5.663 5.580 1.00 0.24 C ATOM 1255 O GLU A 150 -1.740 -5.283 6.517 1.00 0.31 O ATOM 1256 CB GLU A 150 -2.184 -7.879 4.470 1.00 0.40 C ATOM 1257 CG GLU A 150 -1.829 -8.532 5.801 1.00 1.08 C ATOM 1258 CD GLU A 150 -0.345 -8.796 5.971 1.00 1.55 C ATOM 1259 OE1 GLU A 150 0.389 -7.883 6.401 1.00 2.03 O ATOM 1260 OE2 GLU A 150 0.089 -9.936 5.699 1.00 2.30 O ATOM 0 H GLU A 150 0.068 -6.267 5.234 1.00 0.24 H new ATOM 0 HA GLU A 150 -2.264 -5.973 3.471 1.00 0.27 H new ATOM 0 HB2 GLU A 150 -3.252 -8.006 4.290 1.00 0.40 H new ATOM 0 HB3 GLU A 150 -1.661 -8.404 3.670 1.00 0.40 H new ATOM 0 HG2 GLU A 150 -2.171 -7.891 6.613 1.00 1.08 H new ATOM 0 HG3 GLU A 150 -2.370 -9.474 5.890 1.00 1.08 H new ATOM 1267 N THR A 151 -3.752 -5.463 5.532 1.00 0.21 N ATOM 1268 CA THR A 151 -4.471 -4.898 6.652 1.00 0.23 C ATOM 1269 C THR A 151 -4.661 -5.961 7.728 1.00 0.24 C ATOM 1270 O THR A 151 -4.855 -7.140 7.422 1.00 0.27 O ATOM 1271 CB THR A 151 -5.836 -4.334 6.209 1.00 0.25 C ATOM 1272 OG1 THR A 151 -6.660 -5.372 5.661 1.00 0.25 O ATOM 1273 CG2 THR A 151 -5.642 -3.243 5.170 1.00 0.29 C ATOM 0 H THR A 151 -4.334 -5.686 4.725 1.00 0.21 H new ATOM 0 HA THR A 151 -3.886 -4.073 7.059 1.00 0.23 H new ATOM 0 HB THR A 151 -6.330 -3.916 7.086 1.00 0.25 H new ATOM 0 HG1 THR A 151 -7.389 -5.574 6.284 1.00 0.25 H new ATOM 0 HG21 THR A 151 -6.613 -2.853 4.866 1.00 0.29 H new ATOM 0 HG22 THR A 151 -5.045 -2.437 5.596 1.00 0.29 H new ATOM 0 HG23 THR A 151 -5.128 -3.655 4.301 1.00 0.29 H new ATOM 1281 N LYS A 152 -4.594 -5.545 8.985 1.00 0.31 N ATOM 1282 CA LYS A 152 -4.613 -6.477 10.105 1.00 0.38 C ATOM 1283 C LYS A 152 -6.030 -6.989 10.375 1.00 0.39 C ATOM 1284 O LYS A 152 -6.236 -7.874 11.209 1.00 0.51 O ATOM 1285 CB LYS A 152 -4.038 -5.786 11.345 1.00 0.48 C ATOM 1286 CG LYS A 152 -3.745 -6.715 12.513 1.00 0.80 C ATOM 1287 CD LYS A 152 -3.152 -5.954 13.690 1.00 1.02 C ATOM 1288 CE LYS A 152 -1.830 -5.292 13.325 1.00 1.99 C ATOM 1289 NZ LYS A 152 -1.247 -4.542 14.468 1.00 2.42 N ATOM 0 H LYS A 152 -4.526 -4.564 9.256 1.00 0.31 H new ATOM 0 HA LYS A 152 -3.998 -7.342 9.856 1.00 0.38 H new ATOM 0 HB2 LYS A 152 -3.117 -5.275 11.065 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -4.740 -5.020 11.675 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -4.664 -7.212 12.824 1.00 0.80 H new ATOM 0 HG3 LYS A 152 -3.053 -7.495 12.195 1.00 0.80 H new ATOM 0 HD2 LYS A 152 -3.859 -5.195 14.026 1.00 1.02 H new ATOM 0 HD3 LYS A 152 -2.998 -6.638 14.525 1.00 1.02 H new ATOM 0 HE2 LYS A 152 -1.124 -6.053 12.993 1.00 1.99 H new ATOM 0 HE3 LYS A 152 -1.984 -4.613 12.487 1.00 1.99 H new ATOM 0 HZ1 LYS A 152 -0.348 -4.107 14.176 1.00 2.42 H new ATOM 0 HZ2 LYS A 152 -1.909 -3.799 14.769 1.00 2.42 H new ATOM 0 HZ3 LYS A 152 -1.075 -5.194 15.260 1.00 2.42 H new ATOM 1303 N LYS A 153 -7.003 -6.434 9.665 1.00 0.37 N ATOM 1304 CA LYS A 153 -8.389 -6.850 9.818 1.00 0.43 C ATOM 1305 C LYS A 153 -9.164 -6.649 8.519 1.00 0.40 C ATOM 1306 O LYS A 153 -8.748 -5.881 7.646 1.00 0.40 O ATOM 1307 CB LYS A 153 -9.052 -6.057 10.951 1.00 0.51 C ATOM 1308 CG LYS A 153 -9.161 -4.562 10.680 1.00 0.57 C ATOM 1309 CD LYS A 153 -9.763 -3.823 11.863 1.00 0.66 C ATOM 1310 CE LYS A 153 -9.945 -2.345 11.562 1.00 0.69 C ATOM 1311 NZ LYS A 153 -10.528 -1.610 12.714 1.00 1.29 N ATOM 0 H LYS A 153 -6.857 -5.695 8.978 1.00 0.37 H new ATOM 0 HA LYS A 153 -8.403 -7.912 10.065 1.00 0.43 H new ATOM 0 HB2 LYS A 153 -10.051 -6.458 11.125 1.00 0.51 H new ATOM 0 HB3 LYS A 153 -8.483 -6.209 11.868 1.00 0.51 H new ATOM 0 HG2 LYS A 153 -8.172 -4.158 10.462 1.00 0.57 H new ATOM 0 HG3 LYS A 153 -9.775 -4.396 9.795 1.00 0.57 H new ATOM 0 HD2 LYS A 153 -10.726 -4.265 12.117 1.00 0.66 H new ATOM 0 HD3 LYS A 153 -9.118 -3.941 12.734 1.00 0.66 H new ATOM 0 HE2 LYS A 153 -8.981 -1.907 11.302 1.00 0.69 H new ATOM 0 HE3 LYS A 153 -10.592 -2.229 10.693 1.00 0.69 H new ATOM 0 HZ1 LYS A 153 -10.635 -0.606 12.467 1.00 1.29 H new ATOM 0 HZ2 LYS A 153 -11.459 -2.011 12.946 1.00 1.29 H new ATOM 0 HZ3 LYS A 153 -9.898 -1.698 13.537 1.00 1.29 H new ATOM 1325 N LYS A 154 -10.279 -7.365 8.395 1.00 0.43 N ATOM 1326 CA LYS A 154 -11.197 -7.189 7.275 1.00 0.44 C ATOM 1327 C LYS A 154 -12.056 -5.957 7.535 1.00 0.53 C ATOM 1328 O LYS A 154 -12.774 -5.894 8.532 1.00 0.67 O ATOM 1329 CB LYS A 154 -12.082 -8.429 7.115 1.00 0.44 C ATOM 1330 CG LYS A 154 -11.297 -9.718 6.915 1.00 0.47 C ATOM 1331 CD LYS A 154 -12.213 -10.930 6.896 1.00 0.54 C ATOM 1332 CE LYS A 154 -11.422 -12.220 6.731 1.00 0.66 C ATOM 1333 NZ LYS A 154 -12.287 -13.425 6.843 1.00 1.41 N ATOM 0 H LYS A 154 -10.569 -8.079 9.064 1.00 0.43 H new ATOM 0 HA LYS A 154 -10.631 -7.054 6.353 1.00 0.44 H new ATOM 0 HB2 LYS A 154 -12.713 -8.531 7.998 1.00 0.44 H new ATOM 0 HB3 LYS A 154 -12.747 -8.283 6.264 1.00 0.44 H new ATOM 0 HG2 LYS A 154 -10.742 -9.666 5.979 1.00 0.47 H new ATOM 0 HG3 LYS A 154 -10.564 -9.827 7.715 1.00 0.47 H new ATOM 0 HD2 LYS A 154 -12.787 -10.969 7.822 1.00 0.54 H new ATOM 0 HD3 LYS A 154 -12.930 -10.834 6.080 1.00 0.54 H new ATOM 0 HE2 LYS A 154 -10.926 -12.219 5.760 1.00 0.66 H new ATOM 0 HE3 LYS A 154 -10.639 -12.264 7.488 1.00 0.66 H new ATOM 0 HZ1 LYS A 154 -11.708 -14.280 6.724 1.00 1.41 H new ATOM 0 HZ2 LYS A 154 -12.741 -13.441 7.779 1.00 1.41 H new ATOM 0 HZ3 LYS A 154 -13.018 -13.397 6.104 1.00 1.41 H new ATOM 1347 N MET A 155 -11.991 -4.984 6.641 1.00 0.61 N ATOM 1348 CA MET A 155 -12.515 -3.656 6.936 1.00 0.76 C ATOM 1349 C MET A 155 -13.921 -3.413 6.410 1.00 0.62 C ATOM 1350 O MET A 155 -14.435 -4.138 5.556 1.00 0.57 O ATOM 1351 CB MET A 155 -11.574 -2.597 6.385 1.00 1.01 C ATOM 1352 CG MET A 155 -10.270 -2.527 7.143 1.00 1.22 C ATOM 1353 SD MET A 155 -9.147 -1.296 6.476 1.00 0.95 S ATOM 1354 CE MET A 155 -7.852 -1.389 7.697 1.00 0.80 C ATOM 0 H MET A 155 -11.584 -5.085 5.711 1.00 0.61 H new ATOM 0 HA MET A 155 -12.579 -3.591 8.022 1.00 0.76 H new ATOM 0 HB2 MET A 155 -11.369 -2.809 5.336 1.00 1.01 H new ATOM 0 HB3 MET A 155 -12.065 -1.625 6.424 1.00 1.01 H new ATOM 0 HG2 MET A 155 -10.474 -2.298 8.189 1.00 1.22 H new ATOM 0 HG3 MET A 155 -9.788 -3.504 7.119 1.00 1.22 H new ATOM 0 HE1 MET A 155 -7.319 -0.439 7.736 1.00 0.80 H new ATOM 0 HE2 MET A 155 -8.287 -1.601 8.674 1.00 0.80 H new ATOM 0 HE3 MET A 155 -7.156 -2.184 7.430 1.00 0.80 H new ATOM 1364 N LYS A 156 -14.524 -2.367 6.961 1.00 0.65 N ATOM 1365 CA LYS A 156 -15.843 -1.901 6.569 1.00 0.59 C ATOM 1366 C LYS A 156 -15.785 -1.230 5.195 1.00 0.44 C ATOM 1367 O LYS A 156 -14.697 -0.916 4.709 1.00 0.42 O ATOM 1368 CB LYS A 156 -16.362 -0.917 7.629 1.00 0.72 C ATOM 1369 CG LYS A 156 -15.431 0.263 7.873 1.00 1.28 C ATOM 1370 CD LYS A 156 -15.972 1.207 8.938 1.00 1.79 C ATOM 1371 CE LYS A 156 -15.991 0.561 10.317 1.00 2.54 C ATOM 1372 NZ LYS A 156 -14.622 0.235 10.804 1.00 3.40 N ATOM 0 H LYS A 156 -14.101 -1.811 7.705 1.00 0.65 H new ATOM 0 HA LYS A 156 -16.524 -2.750 6.500 1.00 0.59 H new ATOM 0 HB2 LYS A 156 -17.337 -0.542 7.318 1.00 0.72 H new ATOM 0 HB3 LYS A 156 -16.511 -1.452 8.567 1.00 0.72 H new ATOM 0 HG2 LYS A 156 -14.452 -0.105 8.179 1.00 1.28 H new ATOM 0 HG3 LYS A 156 -15.289 0.811 6.942 1.00 1.28 H new ATOM 0 HD2 LYS A 156 -15.360 2.108 8.968 1.00 1.79 H new ATOM 0 HD3 LYS A 156 -16.982 1.517 8.669 1.00 1.79 H new ATOM 0 HE2 LYS A 156 -16.476 1.233 11.025 1.00 2.54 H new ATOM 0 HE3 LYS A 156 -16.589 -0.350 10.282 1.00 2.54 H new ATOM 0 HZ1 LYS A 156 -14.657 0.022 11.821 1.00 3.40 H new ATOM 0 HZ2 LYS A 156 -14.258 -0.593 10.290 1.00 3.40 H new ATOM 0 HZ3 LYS A 156 -13.993 1.047 10.641 1.00 3.40 H new ATOM 1386 N PRO A 157 -16.944 -1.024 4.543 1.00 0.46 N ATOM 1387 CA PRO A 157 -17.018 -0.355 3.238 1.00 0.41 C ATOM 1388 C PRO A 157 -16.289 0.991 3.204 1.00 0.37 C ATOM 1389 O PRO A 157 -16.294 1.744 4.182 1.00 0.46 O ATOM 1390 CB PRO A 157 -18.524 -0.141 3.014 1.00 0.52 C ATOM 1391 CG PRO A 157 -19.173 -0.451 4.322 1.00 0.63 C ATOM 1392 CD PRO A 157 -18.278 -1.447 4.993 1.00 0.63 C ATOM 0 HA PRO A 157 -16.534 -0.956 2.468 1.00 0.41 H new ATOM 0 HB2 PRO A 157 -18.733 0.884 2.706 1.00 0.52 H new ATOM 0 HB3 PRO A 157 -18.900 -0.793 2.226 1.00 0.52 H new ATOM 0 HG2 PRO A 157 -19.281 0.448 4.928 1.00 0.63 H new ATOM 0 HG3 PRO A 157 -20.173 -0.859 4.176 1.00 0.63 H new ATOM 0 HD2 PRO A 157 -18.371 -1.411 6.078 1.00 0.63 H new ATOM 0 HD3 PRO A 157 -18.505 -2.468 4.687 1.00 0.63 H new ATOM 1400 N GLY A 158 -15.661 1.275 2.072 1.00 0.32 N ATOM 1401 CA GLY A 158 -14.984 2.538 1.882 1.00 0.33 C ATOM 1402 C GLY A 158 -13.928 2.455 0.801 1.00 0.27 C ATOM 1403 O GLY A 158 -13.765 1.410 0.165 1.00 0.27 O ATOM 0 H GLY A 158 -15.609 0.643 1.273 1.00 0.32 H new ATOM 0 HA2 GLY A 158 -15.713 3.305 1.619 1.00 0.33 H new ATOM 0 HA3 GLY A 158 -14.521 2.846 2.819 1.00 0.33 H new ATOM 1407 N ILE A 159 -13.213 3.548 0.586 1.00 0.29 N ATOM 1408 CA ILE A 159 -12.148 3.580 -0.407 1.00 0.26 C ATOM 1409 C ILE A 159 -10.800 3.550 0.294 1.00 0.21 C ATOM 1410 O ILE A 159 -10.537 4.373 1.171 1.00 0.24 O ATOM 1411 CB ILE A 159 -12.224 4.843 -1.291 1.00 0.30 C ATOM 1412 CG1 ILE A 159 -13.645 5.031 -1.837 1.00 0.40 C ATOM 1413 CG2 ILE A 159 -11.214 4.749 -2.427 1.00 0.29 C ATOM 1414 CD1 ILE A 159 -13.818 6.286 -2.666 1.00 0.44 C ATOM 0 H ILE A 159 -13.350 4.426 1.086 1.00 0.29 H new ATOM 0 HA ILE A 159 -12.268 2.707 -1.048 1.00 0.26 H new ATOM 0 HB ILE A 159 -11.978 5.713 -0.683 1.00 0.30 H new ATOM 0 HG12 ILE A 159 -13.908 4.166 -2.445 1.00 0.40 H new ATOM 0 HG13 ILE A 159 -14.345 5.059 -1.002 1.00 0.40 H new ATOM 0 HG21 ILE A 159 -11.276 5.645 -3.044 1.00 0.29 H new ATOM 0 HG22 ILE A 159 -10.209 4.662 -2.014 1.00 0.29 H new ATOM 0 HG23 ILE A 159 -11.433 3.872 -3.037 1.00 0.29 H new ATOM 0 HD11 ILE A 159 -14.848 6.351 -3.017 1.00 0.44 H new ATOM 0 HD12 ILE A 159 -13.587 7.160 -2.056 1.00 0.44 H new ATOM 0 HD13 ILE A 159 -13.144 6.252 -3.522 1.00 0.44 H new ATOM 1426 N TYR A 160 -9.950 2.608 -0.076 1.00 0.18 N ATOM 1427 CA TYR A 160 -8.668 2.453 0.595 1.00 0.17 C ATOM 1428 C TYR A 160 -7.523 2.427 -0.402 1.00 0.16 C ATOM 1429 O TYR A 160 -7.720 2.143 -1.582 1.00 0.19 O ATOM 1430 CB TYR A 160 -8.642 1.165 1.423 1.00 0.21 C ATOM 1431 CG TYR A 160 -9.729 1.076 2.471 1.00 0.23 C ATOM 1432 CD1 TYR A 160 -10.970 0.531 2.165 1.00 1.20 C ATOM 1433 CD2 TYR A 160 -9.515 1.531 3.767 1.00 1.24 C ATOM 1434 CE1 TYR A 160 -11.965 0.445 3.116 1.00 1.23 C ATOM 1435 CE2 TYR A 160 -10.507 1.445 4.723 1.00 1.24 C ATOM 1436 CZ TYR A 160 -11.730 0.902 4.390 1.00 0.35 C ATOM 1437 OH TYR A 160 -12.725 0.819 5.337 1.00 0.43 O ATOM 0 H TYR A 160 -10.120 1.943 -0.831 1.00 0.18 H new ATOM 0 HA TYR A 160 -8.542 3.312 1.254 1.00 0.17 H new ATOM 0 HB2 TYR A 160 -8.732 0.312 0.750 1.00 0.21 H new ATOM 0 HB3 TYR A 160 -7.672 1.082 1.914 1.00 0.21 H new ATOM 0 HD1 TYR A 160 -11.159 0.169 1.165 1.00 1.20 H new ATOM 0 HD2 TYR A 160 -8.558 1.958 4.030 1.00 1.24 H new ATOM 0 HE1 TYR A 160 -12.925 0.020 2.860 1.00 1.23 H new ATOM 0 HE2 TYR A 160 -10.326 1.801 5.726 1.00 1.24 H new ATOM 0 HH TYR A 160 -13.524 0.415 4.938 1.00 0.43 H new ATOM 1447 N ALA A 161 -6.334 2.740 0.090 1.00 0.14 N ATOM 1448 CA ALA A 161 -5.114 2.651 -0.693 1.00 0.14 C ATOM 1449 C ALA A 161 -3.907 2.619 0.233 1.00 0.14 C ATOM 1450 O ALA A 161 -3.969 3.115 1.362 1.00 0.14 O ATOM 1451 CB ALA A 161 -5.009 3.821 -1.657 1.00 0.14 C ATOM 0 H ALA A 161 -6.189 3.064 1.046 1.00 0.14 H new ATOM 0 HA ALA A 161 -5.139 1.730 -1.276 1.00 0.14 H new ATOM 0 HB1 ALA A 161 -4.088 3.736 -2.234 1.00 0.14 H new ATOM 0 HB2 ALA A 161 -5.863 3.813 -2.334 1.00 0.14 H new ATOM 0 HB3 ALA A 161 -5.000 4.755 -1.096 1.00 0.14 H new ATOM 1457 N PHE A 162 -2.821 2.030 -0.238 1.00 0.14 N ATOM 1458 CA PHE A 162 -1.596 1.948 0.546 1.00 0.15 C ATOM 1459 C PHE A 162 -0.630 3.042 0.126 1.00 0.15 C ATOM 1460 O PHE A 162 -0.320 3.184 -1.057 1.00 0.15 O ATOM 1461 CB PHE A 162 -0.919 0.582 0.377 1.00 0.17 C ATOM 1462 CG PHE A 162 -1.673 -0.568 0.990 1.00 0.18 C ATOM 1463 CD1 PHE A 162 -1.497 -0.892 2.327 1.00 1.13 C ATOM 1464 CD2 PHE A 162 -2.548 -1.333 0.232 1.00 1.15 C ATOM 1465 CE1 PHE A 162 -2.172 -1.955 2.894 1.00 1.13 C ATOM 1466 CE2 PHE A 162 -3.227 -2.396 0.796 1.00 1.16 C ATOM 1467 CZ PHE A 162 -3.040 -2.707 2.128 1.00 0.24 C ATOM 0 H PHE A 162 -2.761 1.600 -1.161 1.00 0.14 H new ATOM 0 HA PHE A 162 -1.864 2.077 1.595 1.00 0.15 H new ATOM 0 HB2 PHE A 162 -0.785 0.386 -0.687 1.00 0.17 H new ATOM 0 HB3 PHE A 162 0.075 0.626 0.821 1.00 0.17 H new ATOM 0 HD1 PHE A 162 -0.823 -0.305 2.933 1.00 1.13 H new ATOM 0 HD2 PHE A 162 -2.700 -1.095 -0.810 1.00 1.15 H new ATOM 0 HE1 PHE A 162 -2.021 -2.198 3.935 1.00 1.13 H new ATOM 0 HE2 PHE A 162 -3.904 -2.984 0.194 1.00 1.16 H new ATOM 0 HZ PHE A 162 -3.572 -3.537 2.570 1.00 0.24 H new ATOM 1477 N LYS A 163 -0.168 3.818 1.092 1.00 0.16 N ATOM 1478 CA LYS A 163 0.796 4.872 0.825 1.00 0.18 C ATOM 1479 C LYS A 163 2.149 4.489 1.396 1.00 0.20 C ATOM 1480 O LYS A 163 2.392 4.646 2.593 1.00 0.23 O ATOM 1481 CB LYS A 163 0.338 6.205 1.433 1.00 0.23 C ATOM 1482 CG LYS A 163 1.248 7.385 1.083 1.00 0.31 C ATOM 1483 CD LYS A 163 0.735 8.685 1.695 1.00 0.45 C ATOM 1484 CE LYS A 163 1.653 9.869 1.399 1.00 0.74 C ATOM 1485 NZ LYS A 163 2.997 9.713 2.016 1.00 1.28 N ATOM 0 H LYS A 163 -0.446 3.738 2.070 1.00 0.16 H new ATOM 0 HA LYS A 163 0.875 4.995 -0.255 1.00 0.18 H new ATOM 0 HB2 LYS A 163 -0.673 6.423 1.089 1.00 0.23 H new ATOM 0 HB3 LYS A 163 0.291 6.103 2.517 1.00 0.23 H new ATOM 0 HG2 LYS A 163 2.258 7.186 1.441 1.00 0.31 H new ATOM 0 HG3 LYS A 163 1.309 7.490 -0.000 1.00 0.31 H new ATOM 0 HD2 LYS A 163 -0.262 8.896 1.309 1.00 0.45 H new ATOM 0 HD3 LYS A 163 0.640 8.563 2.774 1.00 0.45 H new ATOM 0 HE2 LYS A 163 1.762 9.980 0.320 1.00 0.74 H new ATOM 0 HE3 LYS A 163 1.191 10.785 1.768 1.00 0.74 H new ATOM 0 HZ1 LYS A 163 3.149 10.470 2.712 1.00 1.28 H new ATOM 0 HZ2 LYS A 163 3.056 8.789 2.490 1.00 1.28 H new ATOM 0 HZ3 LYS A 163 3.727 9.770 1.277 1.00 1.28 H new ATOM 1499 N VAL A 164 3.016 3.965 0.551 1.00 0.22 N ATOM 1500 CA VAL A 164 4.367 3.654 0.972 1.00 0.26 C ATOM 1501 C VAL A 164 5.283 4.785 0.520 1.00 0.33 C ATOM 1502 O VAL A 164 5.134 5.304 -0.588 1.00 0.34 O ATOM 1503 CB VAL A 164 4.859 2.284 0.420 1.00 0.28 C ATOM 1504 CG1 VAL A 164 3.803 1.211 0.638 1.00 0.27 C ATOM 1505 CG2 VAL A 164 5.242 2.357 -1.052 1.00 0.29 C ATOM 0 H VAL A 164 2.811 3.747 -0.424 1.00 0.22 H new ATOM 0 HA VAL A 164 4.385 3.565 2.058 1.00 0.26 H new ATOM 0 HB VAL A 164 5.759 2.020 0.976 1.00 0.28 H new ATOM 0 HG11 VAL A 164 4.164 0.260 0.246 1.00 0.27 H new ATOM 0 HG12 VAL A 164 3.601 1.111 1.704 1.00 0.27 H new ATOM 0 HG13 VAL A 164 2.886 1.492 0.120 1.00 0.27 H new ATOM 0 HG21 VAL A 164 5.578 1.377 -1.389 1.00 0.29 H new ATOM 0 HG22 VAL A 164 4.376 2.665 -1.638 1.00 0.29 H new ATOM 0 HG23 VAL A 164 6.046 3.081 -1.183 1.00 0.29 H new ATOM 1515 N TYR A 165 6.182 5.220 1.385 1.00 0.45 N ATOM 1516 CA TYR A 165 7.083 6.297 1.020 1.00 0.57 C ATOM 1517 C TYR A 165 8.514 5.992 1.424 1.00 0.70 C ATOM 1518 O TYR A 165 9.067 6.601 2.342 1.00 1.67 O ATOM 1519 CB TYR A 165 6.614 7.659 1.565 1.00 0.62 C ATOM 1520 CG TYR A 165 6.111 7.677 2.998 1.00 0.63 C ATOM 1521 CD1 TYR A 165 4.785 7.379 3.291 1.00 1.30 C ATOM 1522 CD2 TYR A 165 6.946 8.039 4.049 1.00 1.38 C ATOM 1523 CE1 TYR A 165 4.309 7.444 4.587 1.00 1.31 C ATOM 1524 CE2 TYR A 165 6.477 8.096 5.349 1.00 1.45 C ATOM 1525 CZ TYR A 165 5.155 7.802 5.610 1.00 0.79 C ATOM 1526 OH TYR A 165 4.674 7.870 6.898 1.00 0.93 O ATOM 0 H TYR A 165 6.307 4.852 2.328 1.00 0.45 H new ATOM 0 HA TYR A 165 7.062 6.371 -0.067 1.00 0.57 H new ATOM 0 HB2 TYR A 165 7.443 8.362 1.485 1.00 0.62 H new ATOM 0 HB3 TYR A 165 5.818 8.030 0.919 1.00 0.62 H new ATOM 0 HD1 TYR A 165 4.116 7.092 2.493 1.00 1.30 H new ATOM 0 HD2 TYR A 165 7.979 8.280 3.847 1.00 1.38 H new ATOM 0 HE1 TYR A 165 3.275 7.214 4.796 1.00 1.31 H new ATOM 0 HE2 TYR A 165 7.142 8.369 6.155 1.00 1.45 H new ATOM 0 HH TYR A 165 3.736 7.585 6.912 1.00 0.93 H new ATOM 1536 N LYS A 166 9.095 5.026 0.711 1.00 0.48 N ATOM 1537 CA LYS A 166 10.513 4.692 0.822 1.00 0.49 C ATOM 1538 C LYS A 166 10.831 4.111 2.217 1.00 0.46 C ATOM 1539 O LYS A 166 9.919 3.919 3.026 1.00 0.55 O ATOM 1540 CB LYS A 166 11.368 5.937 0.501 1.00 0.57 C ATOM 1541 CG LYS A 166 10.877 6.751 -0.699 1.00 0.71 C ATOM 1542 CD LYS A 166 10.686 5.908 -1.958 1.00 0.94 C ATOM 1543 CE LYS A 166 11.997 5.360 -2.501 1.00 1.35 C ATOM 1544 NZ LYS A 166 11.803 4.664 -3.805 1.00 1.53 N ATOM 0 H LYS A 166 8.591 4.451 0.037 1.00 0.48 H new ATOM 0 HA LYS A 166 10.761 3.919 0.095 1.00 0.49 H new ATOM 0 HB2 LYS A 166 11.390 6.583 1.378 1.00 0.57 H new ATOM 0 HB3 LYS A 166 12.394 5.619 0.314 1.00 0.57 H new ATOM 0 HG2 LYS A 166 9.932 7.230 -0.443 1.00 0.71 H new ATOM 0 HG3 LYS A 166 11.592 7.547 -0.907 1.00 0.71 H new ATOM 0 HD2 LYS A 166 10.014 5.079 -1.737 1.00 0.94 H new ATOM 0 HD3 LYS A 166 10.204 6.513 -2.726 1.00 0.94 H new ATOM 0 HE2 LYS A 166 12.709 6.176 -2.626 1.00 1.35 H new ATOM 0 HE3 LYS A 166 12.429 4.667 -1.779 1.00 1.35 H new ATOM 0 HZ1 LYS A 166 12.417 3.826 -3.846 1.00 1.53 H new ATOM 0 HZ2 LYS A 166 10.810 4.370 -3.897 1.00 1.53 H new ATOM 0 HZ3 LYS A 166 12.046 5.310 -4.583 1.00 1.53 H new ATOM 1558 N PRO A 167 12.106 3.771 2.514 1.00 0.44 N ATOM 1559 CA PRO A 167 12.491 3.243 3.833 1.00 0.47 C ATOM 1560 C PRO A 167 12.154 4.211 4.962 1.00 0.47 C ATOM 1561 O PRO A 167 12.210 5.432 4.788 1.00 0.50 O ATOM 1562 CB PRO A 167 14.010 3.066 3.722 1.00 0.58 C ATOM 1563 CG PRO A 167 14.265 2.947 2.263 1.00 0.60 C ATOM 1564 CD PRO A 167 13.265 3.848 1.607 1.00 0.49 C ATOM 0 HA PRO A 167 11.958 2.323 4.072 1.00 0.47 H new ATOM 0 HB2 PRO A 167 14.541 3.916 4.150 1.00 0.58 H new ATOM 0 HB3 PRO A 167 14.346 2.178 4.257 1.00 0.58 H new ATOM 0 HG2 PRO A 167 15.284 3.247 2.017 1.00 0.60 H new ATOM 0 HG3 PRO A 167 14.145 1.917 1.926 1.00 0.60 H new ATOM 0 HD2 PRO A 167 13.639 4.868 1.516 1.00 0.49 H new ATOM 0 HD3 PRO A 167 13.014 3.509 0.602 1.00 0.49 H new ATOM 1572 N ALA A 168 11.795 3.658 6.114 1.00 0.53 N ATOM 1573 CA ALA A 168 11.453 4.466 7.277 1.00 0.64 C ATOM 1574 C ALA A 168 12.612 5.373 7.673 1.00 0.71 C ATOM 1575 O ALA A 168 13.758 4.925 7.761 1.00 0.76 O ATOM 1576 CB ALA A 168 11.066 3.573 8.442 1.00 0.72 C ATOM 0 H ALA A 168 11.733 2.652 6.268 1.00 0.53 H new ATOM 0 HA ALA A 168 10.603 5.095 7.014 1.00 0.64 H new ATOM 0 HB1 ALA A 168 10.813 4.189 9.305 1.00 0.72 H new ATOM 0 HB2 ALA A 168 10.204 2.966 8.164 1.00 0.72 H new ATOM 0 HB3 ALA A 168 11.903 2.922 8.695 1.00 0.72 H new ATOM 1582 N GLY A 169 12.318 6.644 7.904 1.00 0.82 N ATOM 1583 CA GLY A 169 13.352 7.588 8.275 1.00 0.95 C ATOM 1584 C GLY A 169 13.717 8.517 7.138 1.00 0.96 C ATOM 1585 O GLY A 169 14.271 9.594 7.362 1.00 1.14 O ATOM 0 H GLY A 169 11.380 7.039 7.841 1.00 0.82 H new ATOM 0 HA2 GLY A 169 13.014 8.177 9.128 1.00 0.95 H new ATOM 0 HA3 GLY A 169 14.240 7.043 8.595 1.00 0.95 H new ATOM 1589 N TYR A 170 13.408 8.101 5.918 1.00 0.80 N ATOM 1590 CA TYR A 170 13.709 8.895 4.739 1.00 0.82 C ATOM 1591 C TYR A 170 12.740 10.073 4.640 1.00 0.86 C ATOM 1592 O TYR A 170 11.523 9.877 4.630 1.00 0.89 O ATOM 1593 CB TYR A 170 13.611 8.019 3.483 1.00 0.83 C ATOM 1594 CG TYR A 170 14.211 8.646 2.241 1.00 0.91 C ATOM 1595 CD1 TYR A 170 13.473 9.516 1.448 1.00 1.15 C ATOM 1596 CD2 TYR A 170 15.519 8.365 1.860 1.00 1.74 C ATOM 1597 CE1 TYR A 170 14.019 10.087 0.314 1.00 1.21 C ATOM 1598 CE2 TYR A 170 16.069 8.933 0.727 1.00 1.82 C ATOM 1599 CZ TYR A 170 15.315 9.793 -0.042 1.00 1.11 C ATOM 1600 OH TYR A 170 15.863 10.366 -1.169 1.00 1.24 O ATOM 0 H TYR A 170 12.947 7.213 5.720 1.00 0.80 H new ATOM 0 HA TYR A 170 14.724 9.284 4.820 1.00 0.82 H new ATOM 0 HB2 TYR A 170 14.111 7.070 3.675 1.00 0.83 H new ATOM 0 HB3 TYR A 170 12.562 7.793 3.292 1.00 0.83 H new ATOM 0 HD1 TYR A 170 12.455 9.750 1.722 1.00 1.15 H new ATOM 0 HD2 TYR A 170 16.114 7.692 2.459 1.00 1.74 H new ATOM 0 HE1 TYR A 170 13.431 10.761 -0.290 1.00 1.21 H new ATOM 0 HE2 TYR A 170 17.086 8.704 0.445 1.00 1.82 H new ATOM 0 HH TYR A 170 16.786 10.055 -1.278 1.00 1.24 H new ATOM 1666 N THR A 176 8.241 11.214 -2.931 1.00 0.64 N ATOM 1667 CA THR A 176 8.765 9.934 -2.486 1.00 0.90 C ATOM 1668 C THR A 176 7.640 8.964 -2.145 1.00 0.80 C ATOM 1669 O THR A 176 7.878 7.886 -1.603 1.00 1.05 O ATOM 1670 CB THR A 176 9.667 10.116 -1.254 1.00 1.30 C ATOM 1671 OG1 THR A 176 8.979 10.873 -0.250 1.00 1.49 O ATOM 1672 CG2 THR A 176 10.962 10.819 -1.628 1.00 1.76 C ATOM 0 HA THR A 176 9.350 9.519 -3.307 1.00 0.90 H new ATOM 0 HB THR A 176 9.910 9.129 -0.861 1.00 1.30 H new ATOM 0 HG1 THR A 176 8.359 11.499 -0.680 1.00 1.49 H new ATOM 0 HG21 THR A 176 11.582 10.936 -0.739 1.00 1.76 H new ATOM 0 HG22 THR A 176 11.497 10.225 -2.369 1.00 1.76 H new ATOM 0 HG23 THR A 176 10.736 11.801 -2.044 1.00 1.76 H new ATOM 1680 N PHE A 177 6.415 9.348 -2.470 1.00 0.52 N ATOM 1681 CA PHE A 177 5.257 8.530 -2.145 1.00 0.45 C ATOM 1682 C PHE A 177 4.856 7.653 -3.322 1.00 0.41 C ATOM 1683 O PHE A 177 4.923 8.073 -4.480 1.00 0.50 O ATOM 1684 CB PHE A 177 4.069 9.404 -1.715 1.00 0.49 C ATOM 1685 CG PHE A 177 3.651 10.441 -2.732 1.00 0.55 C ATOM 1686 CD1 PHE A 177 4.241 11.697 -2.749 1.00 1.37 C ATOM 1687 CD2 PHE A 177 2.662 10.161 -3.666 1.00 1.31 C ATOM 1688 CE1 PHE A 177 3.855 12.649 -3.670 1.00 1.46 C ATOM 1689 CE2 PHE A 177 2.275 11.111 -4.591 1.00 1.38 C ATOM 1690 CZ PHE A 177 2.871 12.354 -4.592 1.00 0.86 C ATOM 0 H PHE A 177 6.198 10.218 -2.957 1.00 0.52 H new ATOM 0 HA PHE A 177 5.537 7.885 -1.312 1.00 0.45 H new ATOM 0 HB2 PHE A 177 3.217 8.758 -1.503 1.00 0.49 H new ATOM 0 HB3 PHE A 177 4.325 9.910 -0.784 1.00 0.49 H new ATOM 0 HD1 PHE A 177 5.013 11.932 -2.031 1.00 1.37 H new ATOM 0 HD2 PHE A 177 2.190 9.190 -3.669 1.00 1.31 H new ATOM 0 HE1 PHE A 177 4.322 13.623 -3.670 1.00 1.46 H new ATOM 0 HE2 PHE A 177 1.506 10.880 -5.313 1.00 1.38 H new ATOM 0 HZ PHE A 177 2.568 13.097 -5.314 1.00 0.86 H new ATOM 1700 N GLU A 178 4.450 6.433 -3.021 1.00 0.34 N ATOM 1701 CA GLU A 178 3.927 5.539 -4.026 1.00 0.32 C ATOM 1702 C GLU A 178 2.587 4.996 -3.555 1.00 0.28 C ATOM 1703 O GLU A 178 2.506 4.328 -2.522 1.00 0.28 O ATOM 1704 CB GLU A 178 4.915 4.401 -4.295 1.00 0.37 C ATOM 1705 CG GLU A 178 4.534 3.532 -5.478 1.00 0.40 C ATOM 1706 CD GLU A 178 5.628 2.562 -5.866 1.00 1.20 C ATOM 1707 OE1 GLU A 178 5.387 1.342 -5.833 1.00 1.91 O ATOM 1708 OE2 GLU A 178 6.735 3.021 -6.226 1.00 1.96 O ATOM 0 H GLU A 178 4.475 6.041 -2.080 1.00 0.34 H new ATOM 0 HA GLU A 178 3.784 6.081 -4.961 1.00 0.32 H new ATOM 0 HB2 GLU A 178 5.904 4.824 -4.469 1.00 0.37 H new ATOM 0 HB3 GLU A 178 4.988 3.776 -3.405 1.00 0.37 H new ATOM 0 HG2 GLU A 178 3.628 2.975 -5.238 1.00 0.40 H new ATOM 0 HG3 GLU A 178 4.299 4.169 -6.331 1.00 0.40 H new ATOM 1715 N TRP A 179 1.538 5.314 -4.294 1.00 0.28 N ATOM 1716 CA TRP A 179 0.199 4.892 -3.925 1.00 0.26 C ATOM 1717 C TRP A 179 -0.175 3.588 -4.605 1.00 0.27 C ATOM 1718 O TRP A 179 0.093 3.394 -5.790 1.00 0.38 O ATOM 1719 CB TRP A 179 -0.846 5.941 -4.321 1.00 0.27 C ATOM 1720 CG TRP A 179 -0.927 7.140 -3.427 1.00 0.27 C ATOM 1721 CD1 TRP A 179 -0.440 8.388 -3.682 1.00 0.32 C ATOM 1722 CD2 TRP A 179 -1.566 7.213 -2.147 1.00 0.24 C ATOM 1723 NE1 TRP A 179 -0.748 9.234 -2.646 1.00 0.32 N ATOM 1724 CE2 TRP A 179 -1.433 8.537 -1.693 1.00 0.27 C ATOM 1725 CE3 TRP A 179 -2.243 6.290 -1.341 1.00 0.20 C ATOM 1726 CZ2 TRP A 179 -1.949 8.965 -0.475 1.00 0.27 C ATOM 1727 CZ3 TRP A 179 -2.752 6.717 -0.130 1.00 0.21 C ATOM 1728 CH2 TRP A 179 -2.604 8.045 0.292 1.00 0.24 C ATOM 0 H TRP A 179 1.588 5.863 -5.152 1.00 0.28 H new ATOM 0 HA TRP A 179 0.206 4.762 -2.843 1.00 0.26 H new ATOM 0 HB2 TRP A 179 -0.630 6.279 -5.334 1.00 0.27 H new ATOM 0 HB3 TRP A 179 -1.825 5.462 -4.347 1.00 0.27 H new ATOM 0 HD1 TRP A 179 0.108 8.669 -4.569 1.00 0.32 H new ATOM 0 HE1 TRP A 179 -0.504 10.223 -2.596 1.00 0.32 H new ATOM 0 HE3 TRP A 179 -2.365 5.265 -1.659 1.00 0.20 H new ATOM 0 HZ2 TRP A 179 -1.836 9.988 -0.148 1.00 0.27 H new ATOM 0 HZ3 TRP A 179 -3.274 6.015 0.503 1.00 0.21 H new ATOM 0 HH2 TRP A 179 -3.016 8.347 1.243 1.00 0.24 H new ATOM 1739 N SER A 180 -0.782 2.701 -3.846 1.00 0.23 N ATOM 1740 CA SER A 180 -1.500 1.582 -4.421 1.00 0.28 C ATOM 1741 C SER A 180 -2.789 2.153 -4.997 1.00 0.28 C ATOM 1742 O SER A 180 -3.370 3.063 -4.401 1.00 0.36 O ATOM 1743 CB SER A 180 -1.801 0.537 -3.337 1.00 0.33 C ATOM 1744 OG SER A 180 -2.214 -0.700 -3.888 1.00 1.06 O ATOM 0 H SER A 180 -0.793 2.733 -2.827 1.00 0.23 H new ATOM 0 HA SER A 180 -0.916 1.084 -5.195 1.00 0.28 H new ATOM 0 HB2 SER A 180 -0.911 0.382 -2.727 1.00 0.33 H new ATOM 0 HB3 SER A 180 -2.580 0.916 -2.675 1.00 0.33 H new ATOM 0 HG SER A 180 -2.575 -0.553 -4.787 1.00 1.06 H new ATOM 1750 N GLU A 181 -3.219 1.674 -6.157 1.00 0.31 N ATOM 1751 CA GLU A 181 -4.415 2.226 -6.779 1.00 0.38 C ATOM 1752 C GLU A 181 -5.611 1.978 -5.870 1.00 0.34 C ATOM 1753 O GLU A 181 -5.730 0.912 -5.266 1.00 0.49 O ATOM 1754 CB GLU A 181 -4.652 1.646 -8.178 1.00 0.56 C ATOM 1755 CG GLU A 181 -5.081 0.191 -8.193 1.00 0.74 C ATOM 1756 CD GLU A 181 -5.465 -0.273 -9.577 1.00 1.38 C ATOM 1757 OE1 GLU A 181 -4.720 -1.081 -10.165 1.00 2.12 O ATOM 1758 OE2 GLU A 181 -6.527 0.157 -10.077 1.00 1.91 O ATOM 0 H GLU A 181 -2.769 0.921 -6.677 1.00 0.31 H new ATOM 0 HA GLU A 181 -4.276 3.299 -6.909 1.00 0.38 H new ATOM 0 HB2 GLU A 181 -5.415 2.241 -8.680 1.00 0.56 H new ATOM 0 HB3 GLU A 181 -3.735 1.747 -8.759 1.00 0.56 H new ATOM 0 HG2 GLU A 181 -4.269 -0.430 -7.815 1.00 0.74 H new ATOM 0 HG3 GLU A 181 -5.926 0.056 -7.518 1.00 0.74 H new ATOM 1765 N PRO A 182 -6.504 2.967 -5.756 1.00 0.29 N ATOM 1766 CA PRO A 182 -7.573 2.940 -4.760 1.00 0.26 C ATOM 1767 C PRO A 182 -8.568 1.811 -5.000 1.00 0.28 C ATOM 1768 O PRO A 182 -9.292 1.796 -6.001 1.00 0.32 O ATOM 1769 CB PRO A 182 -8.251 4.305 -4.914 1.00 0.29 C ATOM 1770 CG PRO A 182 -7.895 4.769 -6.286 1.00 0.35 C ATOM 1771 CD PRO A 182 -6.557 4.167 -6.606 1.00 0.39 C ATOM 0 HA PRO A 182 -7.185 2.760 -3.758 1.00 0.26 H new ATOM 0 HB2 PRO A 182 -9.331 4.223 -4.794 1.00 0.29 H new ATOM 0 HB3 PRO A 182 -7.899 5.007 -4.158 1.00 0.29 H new ATOM 0 HG2 PRO A 182 -8.646 4.452 -7.010 1.00 0.35 H new ATOM 0 HG3 PRO A 182 -7.851 5.857 -6.328 1.00 0.35 H new ATOM 0 HD2 PRO A 182 -6.474 3.913 -7.663 1.00 0.39 H new ATOM 0 HD3 PRO A 182 -5.743 4.855 -6.379 1.00 0.39 H new ATOM 1779 N MET A 183 -8.590 0.863 -4.079 1.00 0.28 N ATOM 1780 CA MET A 183 -9.540 -0.227 -4.134 1.00 0.30 C ATOM 1781 C MET A 183 -10.732 0.095 -3.253 1.00 0.26 C ATOM 1782 O MET A 183 -10.586 0.672 -2.173 1.00 0.25 O ATOM 1783 CB MET A 183 -8.906 -1.559 -3.714 1.00 0.34 C ATOM 1784 CG MET A 183 -8.208 -1.529 -2.363 1.00 0.29 C ATOM 1785 SD MET A 183 -6.584 -0.747 -2.442 1.00 0.31 S ATOM 1786 CE MET A 183 -6.051 -0.900 -0.745 1.00 0.27 C ATOM 0 H MET A 183 -7.956 0.829 -3.281 1.00 0.28 H new ATOM 0 HA MET A 183 -9.869 -0.339 -5.167 1.00 0.30 H new ATOM 0 HB2 MET A 183 -9.682 -2.324 -3.691 1.00 0.34 H new ATOM 0 HB3 MET A 183 -8.185 -1.859 -4.474 1.00 0.34 H new ATOM 0 HG2 MET A 183 -8.831 -0.993 -1.647 1.00 0.29 H new ATOM 0 HG3 MET A 183 -8.099 -2.548 -1.991 1.00 0.29 H new ATOM 0 HE1 MET A 183 -5.045 -0.493 -0.641 1.00 0.27 H new ATOM 0 HE2 MET A 183 -6.734 -0.350 -0.098 1.00 0.27 H new ATOM 0 HE3 MET A 183 -6.048 -1.952 -0.458 1.00 0.27 H new ATOM 1796 N ARG A 184 -11.907 -0.262 -3.722 1.00 0.28 N ATOM 1797 CA ARG A 184 -13.129 0.086 -3.030 1.00 0.29 C ATOM 1798 C ARG A 184 -13.822 -1.161 -2.518 1.00 0.31 C ATOM 1799 O ARG A 184 -14.091 -2.090 -3.279 1.00 0.39 O ATOM 1800 CB ARG A 184 -14.059 0.855 -3.969 1.00 0.35 C ATOM 1801 CG ARG A 184 -13.462 2.151 -4.498 1.00 1.17 C ATOM 1802 CD ARG A 184 -14.267 2.694 -5.668 1.00 1.16 C ATOM 1803 NE ARG A 184 -15.692 2.791 -5.359 1.00 1.88 N ATOM 1804 CZ ARG A 184 -16.656 2.343 -6.162 1.00 2.24 C ATOM 1805 NH1 ARG A 184 -16.354 1.831 -7.349 1.00 1.94 N ATOM 1806 NH2 ARG A 184 -17.925 2.432 -5.786 1.00 3.32 N ATOM 0 H ARG A 184 -12.043 -0.794 -4.581 1.00 0.28 H new ATOM 0 HA ARG A 184 -12.880 0.719 -2.178 1.00 0.29 H new ATOM 0 HB2 ARG A 184 -14.319 0.215 -4.812 1.00 0.35 H new ATOM 0 HB3 ARG A 184 -14.986 1.081 -3.442 1.00 0.35 H new ATOM 0 HG2 ARG A 184 -13.432 2.892 -3.700 1.00 1.17 H new ATOM 0 HG3 ARG A 184 -12.432 1.978 -4.811 1.00 1.17 H new ATOM 0 HD2 ARG A 184 -13.888 3.679 -5.942 1.00 1.16 H new ATOM 0 HD3 ARG A 184 -14.128 2.047 -6.534 1.00 1.16 H new ATOM 0 HE ARG A 184 -15.964 3.227 -4.478 1.00 1.88 H new ATOM 0 HH11 ARG A 184 -15.381 1.779 -7.649 1.00 1.94 H new ATOM 0 HH12 ARG A 184 -17.095 1.489 -7.961 1.00 1.94 H new ATOM 0 HH21 ARG A 184 -18.162 2.843 -4.883 1.00 3.32 H new ATOM 0 HH22 ARG A 184 -18.664 2.089 -6.400 1.00 3.32 H new ATOM 1820 N LEU A 185 -14.084 -1.187 -1.226 1.00 0.28 N ATOM 1821 CA LEU A 185 -14.832 -2.275 -0.628 1.00 0.32 C ATOM 1822 C LEU A 185 -16.199 -1.767 -0.236 1.00 0.36 C ATOM 1823 O LEU A 185 -16.313 -0.765 0.458 1.00 0.51 O ATOM 1824 CB LEU A 185 -14.131 -2.833 0.613 1.00 0.36 C ATOM 1825 CG LEU A 185 -12.691 -3.305 0.420 1.00 0.46 C ATOM 1826 CD1 LEU A 185 -12.203 -4.007 1.677 1.00 0.75 C ATOM 1827 CD2 LEU A 185 -12.580 -4.226 -0.786 1.00 0.74 C ATOM 0 H LEU A 185 -13.789 -0.465 -0.569 1.00 0.28 H new ATOM 0 HA LEU A 185 -14.909 -3.079 -1.360 1.00 0.32 H new ATOM 0 HB2 LEU A 185 -14.139 -2.064 1.385 1.00 0.36 H new ATOM 0 HB3 LEU A 185 -14.718 -3.670 0.991 1.00 0.36 H new ATOM 0 HG LEU A 185 -12.061 -2.435 0.236 1.00 0.46 H new ATOM 0 HD11 LEU A 185 -11.176 -4.341 1.532 1.00 0.75 H new ATOM 0 HD12 LEU A 185 -12.245 -3.316 2.519 1.00 0.75 H new ATOM 0 HD13 LEU A 185 -12.839 -4.868 1.883 1.00 0.75 H new ATOM 0 HD21 LEU A 185 -11.546 -4.549 -0.903 1.00 0.74 H new ATOM 0 HD22 LEU A 185 -13.218 -5.097 -0.638 1.00 0.74 H new ATOM 0 HD23 LEU A 185 -12.897 -3.692 -1.682 1.00 0.74 H new