USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=26 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= 0.57 K(o=0.57,f=-0.24) USER MOD Set 1.2: A 147 TYR OH : rot 90:sc= 0.00057 USER MOD Set 2.1: A 114 LYS NZ :NH3+ -156:sc= 1.09 (180deg=-0.398) USER MOD Set 2.2: A 165 TYR OH : rot 151:sc= 2.32 USER MOD Set 3.1: A 84 GLN : amide:sc= -0.819 K(o=-1.2,f=-2.7!) USER MOD Set 3.2: A 180 SER OG : rot 40:sc= -0.391 USER MOD Set 4.1: A 80 HIS : no HD1:sc= -0.0794 X(o=-0.48,f=-0.42) USER MOD Set 4.2: A 104 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 76 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 130:sc= 0.388 USER MOD Single : A 87 THR OG1 : rot 120:sc= -0.275 USER MOD Single : A 92 CYS SG : rot 39:sc= 0.0939 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -3.41! C(o=-3.4!,f=-3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.22) USER MOD Single : A 111 SER OG : rot 155:sc= -2.22! USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= -0.0238 (180deg=-0.234) USER MOD Single : A 118 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-9.1!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 1.86 K(o=1.9,f=-11!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -1.84 K(o=-1.8,f=-6.6!) USER MOD Single : A 135 LYS NZ :NH3+ -166:sc= -0.0321 (180deg=-0.234) USER MOD Single : A 139 SER OG : rot 8:sc= 0.577 USER MOD Single : A 140 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.4) USER MOD Single : A 145 SER OG : rot 61:sc= 1.25 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 109:sc= 0.112 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 -139:sc= -0.054 (180deg=-2.51!) USER MOD Single : A 156 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.11) USER MOD Single : A 160 TYR OH : rot -150:sc= 1.27 USER MOD Single : A 163 LYS NZ :NH3+ -166:sc= -0.0324 (180deg=-0.426) USER MOD Single : A 166 LYS NZ :NH3+ -129:sc= 0.0909 (180deg=-0.0714) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -23:sc= 0.601 USER MOD Single : A 183 MET CE :methyl -167:sc= -1.68 (180deg=-2.67) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 75 20.372 -0.194 -1.140 1.00 0.79 N ATOM 50 CA ASP A 75 19.612 -1.402 -1.444 1.00 0.78 C ATOM 51 C ASP A 75 18.137 -1.225 -1.088 1.00 0.67 C ATOM 52 O ASP A 75 17.316 -2.102 -1.309 1.00 0.92 O ATOM 53 CB ASP A 75 20.202 -2.596 -0.681 1.00 0.92 C ATOM 54 CG ASP A 75 21.654 -2.870 -1.039 1.00 1.37 C ATOM 55 OD1 ASP A 75 21.911 -3.807 -1.822 1.00 2.01 O ATOM 56 OD2 ASP A 75 22.554 -2.157 -0.532 1.00 1.86 O ATOM 0 HA ASP A 75 19.681 -1.591 -2.515 1.00 0.78 H new ATOM 0 HB2 ASP A 75 20.127 -2.409 0.390 1.00 0.92 H new ATOM 0 HB3 ASP A 75 19.607 -3.485 -0.892 1.00 0.92 H new ATOM 61 N GLN A 76 17.816 -0.077 -0.533 1.00 0.59 N ATOM 62 CA GLN A 76 16.451 0.247 -0.132 1.00 0.77 C ATOM 63 C GLN A 76 15.706 0.988 -1.245 1.00 0.69 C ATOM 64 O GLN A 76 14.671 1.600 -1.005 1.00 0.94 O ATOM 65 CB GLN A 76 16.477 1.078 1.155 1.00 1.07 C ATOM 66 CG GLN A 76 17.389 2.295 1.079 1.00 1.21 C ATOM 67 CD GLN A 76 17.614 2.940 2.432 1.00 1.75 C ATOM 68 OE1 GLN A 76 16.878 3.837 2.841 1.00 2.30 O ATOM 69 NE2 GLN A 76 18.639 2.491 3.136 1.00 2.36 N ATOM 0 H GLN A 76 18.490 0.664 -0.344 1.00 0.59 H new ATOM 0 HA GLN A 76 15.913 -0.682 0.055 1.00 0.77 H new ATOM 0 HB2 GLN A 76 15.464 1.408 1.385 1.00 1.07 H new ATOM 0 HB3 GLN A 76 16.800 0.444 1.980 1.00 1.07 H new ATOM 0 HG2 GLN A 76 18.350 1.999 0.658 1.00 1.21 H new ATOM 0 HG3 GLN A 76 16.955 3.028 0.399 1.00 1.21 H new ATOM 0 HE21 GLN A 76 19.227 1.745 2.763 1.00 2.36 H new ATOM 0 HE22 GLN A 76 18.842 2.890 4.052 1.00 2.36 H new ATOM 78 N SER A 77 16.254 0.938 -2.450 1.00 0.51 N ATOM 79 CA SER A 77 15.850 1.831 -3.531 1.00 0.56 C ATOM 80 C SER A 77 14.494 1.507 -4.184 1.00 0.43 C ATOM 81 O SER A 77 13.587 2.339 -4.173 1.00 0.54 O ATOM 82 CB SER A 77 16.930 1.822 -4.613 1.00 0.80 C ATOM 83 OG SER A 77 16.686 2.811 -5.601 1.00 1.52 O ATOM 0 H SER A 77 16.989 0.280 -2.708 1.00 0.51 H new ATOM 0 HA SER A 77 15.729 2.811 -3.069 1.00 0.56 H new ATOM 0 HB2 SER A 77 17.905 1.995 -4.157 1.00 0.80 H new ATOM 0 HB3 SER A 77 16.968 0.839 -5.082 1.00 0.80 H new ATOM 0 HG SER A 77 17.395 2.780 -6.277 1.00 1.52 H new ATOM 89 N ASP A 78 14.348 0.316 -4.758 1.00 0.35 N ATOM 90 CA ASP A 78 13.331 0.116 -5.799 1.00 0.38 C ATOM 91 C ASP A 78 12.215 -0.857 -5.436 1.00 0.33 C ATOM 92 O ASP A 78 11.764 -1.630 -6.281 1.00 0.42 O ATOM 93 CB ASP A 78 13.978 -0.311 -7.118 1.00 0.51 C ATOM 94 CG ASP A 78 14.876 -1.524 -6.994 1.00 0.94 C ATOM 95 OD1 ASP A 78 14.372 -2.620 -6.672 1.00 1.66 O ATOM 96 OD2 ASP A 78 16.085 -1.389 -7.259 1.00 1.66 O ATOM 0 H ASP A 78 14.903 -0.509 -4.531 1.00 0.35 H new ATOM 0 HA ASP A 78 12.853 1.090 -5.905 1.00 0.38 H new ATOM 0 HB2 ASP A 78 13.194 -0.524 -7.844 1.00 0.51 H new ATOM 0 HB3 ASP A 78 14.560 0.522 -7.513 1.00 0.51 H new ATOM 101 N LEU A 79 11.759 -0.831 -4.205 1.00 0.26 N ATOM 102 CA LEU A 79 10.596 -1.629 -3.841 1.00 0.26 C ATOM 103 C LEU A 79 9.333 -0.976 -4.401 1.00 0.30 C ATOM 104 O LEU A 79 8.822 -0.003 -3.847 1.00 0.51 O ATOM 105 CB LEU A 79 10.499 -1.811 -2.322 1.00 0.28 C ATOM 106 CG LEU A 79 11.412 -2.895 -1.728 1.00 0.28 C ATOM 107 CD1 LEU A 79 11.080 -4.257 -2.312 1.00 0.29 C ATOM 108 CD2 LEU A 79 12.881 -2.563 -1.954 1.00 0.30 C ATOM 0 H LEU A 79 12.161 -0.280 -3.447 1.00 0.26 H new ATOM 0 HA LEU A 79 10.702 -2.623 -4.276 1.00 0.26 H new ATOM 0 HB2 LEU A 79 10.734 -0.860 -1.844 1.00 0.28 H new ATOM 0 HB3 LEU A 79 9.467 -2.050 -2.067 1.00 0.28 H new ATOM 0 HG LEU A 79 11.234 -2.926 -0.653 1.00 0.28 H new ATOM 0 HD11 LEU A 79 11.738 -5.009 -1.878 1.00 0.29 H new ATOM 0 HD12 LEU A 79 10.044 -4.507 -2.085 1.00 0.29 H new ATOM 0 HD13 LEU A 79 11.220 -4.233 -3.393 1.00 0.29 H new ATOM 0 HD21 LEU A 79 13.502 -3.348 -1.523 1.00 0.30 H new ATOM 0 HD22 LEU A 79 13.077 -2.491 -3.024 1.00 0.30 H new ATOM 0 HD23 LEU A 79 13.116 -1.611 -1.477 1.00 0.30 H new ATOM 120 N HIS A 80 8.847 -1.504 -5.519 1.00 0.21 N ATOM 121 CA HIS A 80 7.719 -0.899 -6.226 1.00 0.25 C ATOM 122 C HIS A 80 6.451 -1.709 -6.013 1.00 0.22 C ATOM 123 O HIS A 80 6.461 -2.929 -6.148 1.00 0.23 O ATOM 124 CB HIS A 80 7.996 -0.803 -7.733 1.00 0.33 C ATOM 125 CG HIS A 80 9.130 0.102 -8.113 1.00 1.03 C ATOM 126 ND1 HIS A 80 9.031 1.473 -8.111 1.00 1.94 N ATOM 127 CD2 HIS A 80 10.386 -0.178 -8.533 1.00 1.86 C ATOM 128 CE1 HIS A 80 10.172 1.998 -8.512 1.00 2.58 C ATOM 129 NE2 HIS A 80 11.015 1.018 -8.776 1.00 2.50 N ATOM 0 H HIS A 80 9.215 -2.349 -5.957 1.00 0.21 H new ATOM 0 HA HIS A 80 7.586 0.104 -5.820 1.00 0.25 H new ATOM 0 HB2 HIS A 80 8.206 -1.803 -8.113 1.00 0.33 H new ATOM 0 HB3 HIS A 80 7.091 -0.456 -8.232 1.00 0.33 H new ATOM 0 HD2 HIS A 80 10.815 -1.162 -8.655 1.00 1.86 H new ATOM 0 HE1 HIS A 80 10.381 3.053 -8.608 1.00 2.58 H new ATOM 0 HE2 HIS A 80 11.974 1.130 -9.106 1.00 2.50 H new ATOM 138 N ILE A 81 5.361 -1.029 -5.683 1.00 0.23 N ATOM 139 CA ILE A 81 4.065 -1.681 -5.553 1.00 0.23 C ATOM 140 C ILE A 81 3.608 -2.183 -6.921 1.00 0.26 C ATOM 141 O ILE A 81 3.228 -1.394 -7.789 1.00 0.36 O ATOM 142 CB ILE A 81 3.001 -0.727 -4.968 1.00 0.24 C ATOM 143 CG1 ILE A 81 3.458 -0.182 -3.609 1.00 0.23 C ATOM 144 CG2 ILE A 81 1.666 -1.450 -4.828 1.00 0.28 C ATOM 145 CD1 ILE A 81 2.524 0.856 -3.024 1.00 0.27 C ATOM 0 H ILE A 81 5.349 -0.026 -5.500 1.00 0.23 H new ATOM 0 HA ILE A 81 4.177 -2.518 -4.864 1.00 0.23 H new ATOM 0 HB ILE A 81 2.874 0.113 -5.651 1.00 0.24 H new ATOM 0 HG12 ILE A 81 3.550 -1.011 -2.908 1.00 0.23 H new ATOM 0 HG13 ILE A 81 4.450 0.255 -3.718 1.00 0.23 H new ATOM 0 HG21 ILE A 81 0.924 -0.767 -4.415 1.00 0.28 H new ATOM 0 HG22 ILE A 81 1.335 -1.796 -5.807 1.00 0.28 H new ATOM 0 HG23 ILE A 81 1.783 -2.305 -4.162 1.00 0.28 H new ATOM 0 HD11 ILE A 81 2.912 1.195 -2.063 1.00 0.27 H new ATOM 0 HD12 ILE A 81 2.450 1.704 -3.705 1.00 0.27 H new ATOM 0 HD13 ILE A 81 1.536 0.418 -2.882 1.00 0.27 H new ATOM 157 N SER A 82 3.664 -3.492 -7.109 1.00 0.25 N ATOM 158 CA SER A 82 3.383 -4.088 -8.408 1.00 0.29 C ATOM 159 C SER A 82 2.007 -4.752 -8.420 1.00 0.33 C ATOM 160 O SER A 82 1.452 -5.043 -9.482 1.00 0.43 O ATOM 161 CB SER A 82 4.481 -5.102 -8.766 1.00 0.32 C ATOM 162 OG SER A 82 4.248 -5.709 -10.027 1.00 1.10 O ATOM 0 H SER A 82 3.902 -4.163 -6.379 1.00 0.25 H new ATOM 0 HA SER A 82 3.375 -3.298 -9.159 1.00 0.29 H new ATOM 0 HB2 SER A 82 5.449 -4.601 -8.777 1.00 0.32 H new ATOM 0 HB3 SER A 82 4.530 -5.872 -7.996 1.00 0.32 H new ATOM 0 HG SER A 82 4.967 -6.346 -10.221 1.00 1.10 H new ATOM 168 N ASP A 83 1.449 -4.980 -7.239 1.00 0.33 N ATOM 169 CA ASP A 83 0.144 -5.615 -7.129 1.00 0.38 C ATOM 170 C ASP A 83 -0.485 -5.273 -5.789 1.00 0.30 C ATOM 171 O ASP A 83 0.174 -4.708 -4.915 1.00 0.27 O ATOM 172 CB ASP A 83 0.268 -7.138 -7.302 1.00 0.46 C ATOM 173 CG ASP A 83 -1.076 -7.845 -7.301 1.00 1.27 C ATOM 174 OD1 ASP A 83 -1.991 -7.392 -8.021 1.00 2.07 O ATOM 175 OD2 ASP A 83 -1.221 -8.856 -6.585 1.00 1.90 O ATOM 0 H ASP A 83 1.878 -4.735 -6.347 1.00 0.33 H new ATOM 0 HA ASP A 83 -0.501 -5.238 -7.923 1.00 0.38 H new ATOM 0 HB2 ASP A 83 0.784 -7.351 -8.238 1.00 0.46 H new ATOM 0 HB3 ASP A 83 0.885 -7.541 -6.499 1.00 0.46 H new ATOM 180 N GLN A 84 -1.757 -5.594 -5.646 1.00 0.31 N ATOM 181 CA GLN A 84 -2.496 -5.333 -4.429 1.00 0.35 C ATOM 182 C GLN A 84 -3.783 -6.143 -4.437 1.00 0.34 C ATOM 183 O GLN A 84 -3.951 -7.014 -5.291 1.00 0.39 O ATOM 184 CB GLN A 84 -2.800 -3.829 -4.261 1.00 0.49 C ATOM 185 CG GLN A 84 -3.722 -3.218 -5.318 1.00 0.64 C ATOM 186 CD GLN A 84 -3.069 -3.077 -6.679 1.00 1.32 C ATOM 187 OE1 GLN A 84 -2.399 -2.081 -6.956 1.00 2.14 O ATOM 188 NE2 GLN A 84 -3.287 -4.050 -7.550 1.00 1.98 N ATOM 0 H GLN A 84 -2.308 -6.046 -6.376 1.00 0.31 H new ATOM 0 HA GLN A 84 -1.882 -5.634 -3.580 1.00 0.35 H new ATOM 0 HB2 GLN A 84 -3.250 -3.675 -3.280 1.00 0.49 H new ATOM 0 HB3 GLN A 84 -1.857 -3.283 -4.268 1.00 0.49 H new ATOM 0 HG2 GLN A 84 -4.613 -3.838 -5.414 1.00 0.64 H new ATOM 0 HG3 GLN A 84 -4.051 -2.236 -4.978 1.00 0.64 H new ATOM 0 HE21 GLN A 84 -3.848 -4.859 -7.281 1.00 1.98 H new ATOM 0 HE22 GLN A 84 -2.894 -3.991 -8.490 1.00 1.98 H new ATOM 197 N THR A 85 -4.661 -5.868 -3.480 1.00 0.34 N ATOM 198 CA THR A 85 -5.963 -6.517 -3.389 1.00 0.39 C ATOM 199 C THR A 85 -6.599 -6.708 -4.770 1.00 0.50 C ATOM 200 O THR A 85 -6.653 -5.772 -5.575 1.00 0.54 O ATOM 201 CB THR A 85 -6.904 -5.675 -2.520 1.00 0.32 C ATOM 202 OG1 THR A 85 -6.232 -5.292 -1.310 1.00 0.43 O ATOM 203 CG2 THR A 85 -8.170 -6.446 -2.182 1.00 0.42 C ATOM 0 H THR A 85 -4.489 -5.185 -2.742 1.00 0.34 H new ATOM 0 HA THR A 85 -5.810 -7.499 -2.941 1.00 0.39 H new ATOM 0 HB THR A 85 -7.185 -4.784 -3.082 1.00 0.32 H new ATOM 0 HG1 THR A 85 -6.330 -4.327 -1.173 1.00 0.43 H new ATOM 0 HG21 THR A 85 -8.820 -5.826 -1.565 1.00 0.42 H new ATOM 0 HG22 THR A 85 -8.690 -6.713 -3.102 1.00 0.42 H new ATOM 0 HG23 THR A 85 -7.909 -7.353 -1.636 1.00 0.42 H new ATOM 211 N ASP A 86 -7.082 -7.918 -5.033 1.00 0.69 N ATOM 212 CA ASP A 86 -7.617 -8.276 -6.345 1.00 0.89 C ATOM 213 C ASP A 86 -9.036 -7.747 -6.525 1.00 0.83 C ATOM 214 O ASP A 86 -9.998 -8.514 -6.619 1.00 1.12 O ATOM 215 CB ASP A 86 -7.608 -9.795 -6.535 1.00 1.20 C ATOM 216 CG ASP A 86 -6.221 -10.396 -6.435 1.00 1.67 C ATOM 217 OD1 ASP A 86 -5.924 -11.038 -5.408 1.00 2.32 O ATOM 218 OD2 ASP A 86 -5.424 -10.240 -7.387 1.00 2.23 O ATOM 0 H ASP A 86 -7.114 -8.674 -4.349 1.00 0.69 H new ATOM 0 HA ASP A 86 -6.976 -7.816 -7.097 1.00 0.89 H new ATOM 0 HB2 ASP A 86 -8.252 -10.253 -5.784 1.00 1.20 H new ATOM 0 HB3 ASP A 86 -8.033 -10.036 -7.509 1.00 1.20 H new ATOM 223 N THR A 87 -9.159 -6.435 -6.559 1.00 0.72 N ATOM 224 CA THR A 87 -10.441 -5.793 -6.772 1.00 0.74 C ATOM 225 C THR A 87 -10.524 -5.218 -8.179 1.00 0.81 C ATOM 226 O THR A 87 -11.343 -5.658 -8.985 1.00 1.42 O ATOM 227 CB THR A 87 -10.668 -4.673 -5.746 1.00 1.14 C ATOM 228 OG1 THR A 87 -9.480 -3.884 -5.637 1.00 1.36 O ATOM 229 CG2 THR A 87 -11.039 -5.241 -4.385 1.00 1.87 C ATOM 0 H THR A 87 -8.379 -5.788 -6.441 1.00 0.72 H new ATOM 0 HA THR A 87 -11.217 -6.548 -6.648 1.00 0.74 H new ATOM 0 HB THR A 87 -11.496 -4.052 -6.088 1.00 1.14 H new ATOM 0 HG1 THR A 87 -9.680 -2.956 -5.882 1.00 1.36 H new ATOM 0 HG21 THR A 87 -11.193 -4.424 -3.680 1.00 1.87 H new ATOM 0 HG22 THR A 87 -11.956 -5.824 -4.472 1.00 1.87 H new ATOM 0 HG23 THR A 87 -10.234 -5.882 -4.027 1.00 1.87 H new ATOM 280 N VAL A 91 -15.848 -3.675 -5.691 1.00 0.65 N ATOM 281 CA VAL A 91 -16.174 -5.015 -5.224 1.00 0.77 C ATOM 282 C VAL A 91 -16.655 -4.966 -3.780 1.00 0.55 C ATOM 283 O VAL A 91 -16.143 -4.184 -2.983 1.00 0.46 O ATOM 284 CB VAL A 91 -14.944 -5.947 -5.312 1.00 1.02 C ATOM 285 CG1 VAL A 91 -15.284 -7.356 -4.853 1.00 1.43 C ATOM 286 CG2 VAL A 91 -14.386 -5.969 -6.726 1.00 1.51 C ATOM 0 HA VAL A 91 -16.964 -5.407 -5.864 1.00 0.77 H new ATOM 0 HB VAL A 91 -14.180 -5.551 -4.643 1.00 1.02 H new ATOM 0 HG11 VAL A 91 -14.398 -7.987 -4.927 1.00 1.43 H new ATOM 0 HG12 VAL A 91 -15.625 -7.329 -3.818 1.00 1.43 H new ATOM 0 HG13 VAL A 91 -16.073 -7.764 -5.484 1.00 1.43 H new ATOM 0 HG21 VAL A 91 -13.521 -6.631 -6.766 1.00 1.51 H new ATOM 0 HG22 VAL A 91 -15.151 -6.330 -7.413 1.00 1.51 H new ATOM 0 HG23 VAL A 91 -14.085 -4.962 -7.014 1.00 1.51 H new ATOM 296 N CYS A 92 -17.647 -5.773 -3.437 1.00 0.79 N ATOM 297 CA CYS A 92 -18.048 -5.881 -2.048 1.00 0.64 C ATOM 298 C CYS A 92 -17.365 -7.082 -1.410 1.00 0.62 C ATOM 299 O CYS A 92 -17.571 -8.222 -1.828 1.00 1.20 O ATOM 300 CB CYS A 92 -19.568 -6.021 -1.949 1.00 1.10 C ATOM 301 SG CYS A 92 -20.263 -7.342 -2.970 1.00 1.91 S ATOM 0 H CYS A 92 -18.178 -6.351 -4.088 1.00 0.79 H new ATOM 0 HA CYS A 92 -17.747 -4.978 -1.517 1.00 0.64 H new ATOM 0 HB2 CYS A 92 -19.837 -6.202 -0.908 1.00 1.10 H new ATOM 0 HB3 CYS A 92 -20.028 -5.075 -2.237 1.00 1.10 H new ATOM 0 HG CYS A 92 -19.471 -8.372 -2.945 1.00 1.91 H new ATOM 307 N SER A 93 -16.537 -6.823 -0.415 1.00 0.69 N ATOM 308 CA SER A 93 -15.880 -7.887 0.314 1.00 1.02 C ATOM 309 C SER A 93 -15.468 -7.404 1.698 1.00 0.58 C ATOM 310 O SER A 93 -14.951 -6.296 1.833 1.00 0.73 O ATOM 311 CB SER A 93 -14.650 -8.375 -0.459 1.00 1.83 C ATOM 312 OG SER A 93 -14.145 -9.587 0.081 1.00 2.58 O ATOM 0 H SER A 93 -16.305 -5.883 -0.094 1.00 0.69 H new ATOM 0 HA SER A 93 -16.579 -8.716 0.426 1.00 1.02 H new ATOM 0 HB2 SER A 93 -14.912 -8.523 -1.507 1.00 1.83 H new ATOM 0 HB3 SER A 93 -13.873 -7.611 -0.430 1.00 1.83 H new ATOM 0 HG SER A 93 -13.362 -9.874 -0.434 1.00 2.58 H new ATOM 318 N PRO A 94 -15.705 -8.195 2.746 1.00 0.78 N ATOM 319 CA PRO A 94 -15.032 -8.002 4.012 1.00 0.67 C ATOM 320 C PRO A 94 -13.711 -8.757 3.984 1.00 0.53 C ATOM 321 O PRO A 94 -13.691 -9.989 4.049 1.00 0.59 O ATOM 322 CB PRO A 94 -15.990 -8.619 5.041 1.00 0.93 C ATOM 323 CG PRO A 94 -17.081 -9.293 4.255 1.00 1.39 C ATOM 324 CD PRO A 94 -16.652 -9.307 2.810 1.00 1.43 C ATOM 0 HA PRO A 94 -14.808 -6.959 4.238 1.00 0.67 H new ATOM 0 HB2 PRO A 94 -15.469 -9.336 5.676 1.00 0.93 H new ATOM 0 HB3 PRO A 94 -16.401 -7.852 5.697 1.00 0.93 H new ATOM 0 HG2 PRO A 94 -17.244 -10.308 4.617 1.00 1.39 H new ATOM 0 HG3 PRO A 94 -18.024 -8.758 4.370 1.00 1.39 H new ATOM 0 HD2 PRO A 94 -16.185 -10.253 2.535 1.00 1.43 H new ATOM 0 HD3 PRO A 94 -17.496 -9.160 2.136 1.00 1.43 H new ATOM 332 N PHE A 95 -12.610 -8.032 3.873 1.00 0.43 N ATOM 333 CA PHE A 95 -11.327 -8.667 3.622 1.00 0.40 C ATOM 334 C PHE A 95 -10.175 -7.777 4.070 1.00 0.33 C ATOM 335 O PHE A 95 -10.280 -6.550 4.045 1.00 0.32 O ATOM 336 CB PHE A 95 -11.221 -8.977 2.120 1.00 0.46 C ATOM 337 CG PHE A 95 -9.962 -9.694 1.710 1.00 0.50 C ATOM 338 CD1 PHE A 95 -9.033 -9.070 0.892 1.00 1.26 C ATOM 339 CD2 PHE A 95 -9.709 -10.991 2.133 1.00 1.35 C ATOM 340 CE1 PHE A 95 -7.880 -9.721 0.507 1.00 1.33 C ATOM 341 CE2 PHE A 95 -8.555 -11.646 1.750 1.00 1.36 C ATOM 342 CZ PHE A 95 -7.639 -11.011 0.936 1.00 0.68 C ATOM 0 H PHE A 95 -12.578 -7.016 3.952 1.00 0.43 H new ATOM 0 HA PHE A 95 -11.262 -9.591 4.197 1.00 0.40 H new ATOM 0 HB2 PHE A 95 -12.079 -9.582 1.827 1.00 0.46 H new ATOM 0 HB3 PHE A 95 -11.287 -8.041 1.565 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -9.215 -8.061 0.552 1.00 1.26 H new ATOM 0 HD2 PHE A 95 -10.422 -11.494 2.769 1.00 1.35 H new ATOM 0 HE1 PHE A 95 -7.165 -9.222 -0.130 1.00 1.33 H new ATOM 0 HE2 PHE A 95 -8.369 -12.655 2.087 1.00 1.36 H new ATOM 0 HZ PHE A 95 -6.736 -11.522 0.635 1.00 0.68 H new ATOM 352 N ALA A 96 -9.094 -8.410 4.510 1.00 0.37 N ATOM 353 CA ALA A 96 -7.878 -7.704 4.863 1.00 0.38 C ATOM 354 C ALA A 96 -7.102 -7.358 3.603 1.00 0.35 C ATOM 355 O ALA A 96 -6.611 -8.240 2.895 1.00 0.51 O ATOM 356 CB ALA A 96 -7.027 -8.538 5.801 1.00 0.49 C ATOM 0 H ALA A 96 -9.040 -9.421 4.630 1.00 0.37 H new ATOM 0 HA ALA A 96 -8.143 -6.782 5.380 1.00 0.38 H new ATOM 0 HB1 ALA A 96 -6.119 -7.990 6.053 1.00 0.49 H new ATOM 0 HB2 ALA A 96 -7.588 -8.749 6.711 1.00 0.49 H new ATOM 0 HB3 ALA A 96 -6.761 -9.476 5.314 1.00 0.49 H new ATOM 362 N LEU A 97 -6.984 -6.074 3.346 1.00 0.24 N ATOM 363 CA LEU A 97 -6.443 -5.585 2.091 1.00 0.22 C ATOM 364 C LEU A 97 -4.929 -5.692 2.081 1.00 0.22 C ATOM 365 O LEU A 97 -4.291 -5.549 3.120 1.00 0.24 O ATOM 366 CB LEU A 97 -6.875 -4.135 1.875 1.00 0.23 C ATOM 367 CG LEU A 97 -8.390 -3.915 1.863 1.00 0.46 C ATOM 368 CD1 LEU A 97 -8.718 -2.450 1.658 1.00 1.40 C ATOM 369 CD2 LEU A 97 -9.039 -4.761 0.783 1.00 1.07 C ATOM 0 H LEU A 97 -7.259 -5.339 3.997 1.00 0.24 H new ATOM 0 HA LEU A 97 -6.831 -6.199 1.278 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -6.438 -3.519 2.661 1.00 0.23 H new ATOM 0 HB3 LEU A 97 -6.463 -3.784 0.929 1.00 0.23 H new ATOM 0 HG LEU A 97 -8.788 -4.221 2.830 1.00 0.46 H new ATOM 0 HD11 LEU A 97 -9.800 -2.317 1.653 1.00 1.40 H new ATOM 0 HD12 LEU A 97 -8.284 -1.863 2.468 1.00 1.40 H new ATOM 0 HD13 LEU A 97 -8.307 -2.115 0.706 1.00 1.40 H new ATOM 0 HD21 LEU A 97 -10.116 -4.593 0.787 1.00 1.07 H new ATOM 0 HD22 LEU A 97 -8.633 -4.484 -0.190 1.00 1.07 H new ATOM 0 HD23 LEU A 97 -8.835 -5.815 0.974 1.00 1.07 H new ATOM 381 N PHE A 98 -4.353 -5.940 0.915 1.00 0.23 N ATOM 382 CA PHE A 98 -2.917 -6.112 0.819 1.00 0.23 C ATOM 383 C PHE A 98 -2.340 -5.373 -0.376 1.00 0.22 C ATOM 384 O PHE A 98 -3.054 -5.023 -1.317 1.00 0.25 O ATOM 385 CB PHE A 98 -2.548 -7.604 0.743 1.00 0.24 C ATOM 386 CG PHE A 98 -3.150 -8.335 -0.428 1.00 0.26 C ATOM 387 CD1 PHE A 98 -4.362 -8.994 -0.302 1.00 1.26 C ATOM 388 CD2 PHE A 98 -2.501 -8.367 -1.655 1.00 1.18 C ATOM 389 CE1 PHE A 98 -4.914 -9.667 -1.374 1.00 1.31 C ATOM 390 CE2 PHE A 98 -3.050 -9.039 -2.728 1.00 1.17 C ATOM 391 CZ PHE A 98 -4.258 -9.689 -2.586 1.00 0.40 C ATOM 0 H PHE A 98 -4.855 -6.026 0.031 1.00 0.23 H new ATOM 0 HA PHE A 98 -2.482 -5.685 1.722 1.00 0.23 H new ATOM 0 HB2 PHE A 98 -1.463 -7.695 0.694 1.00 0.24 H new ATOM 0 HB3 PHE A 98 -2.868 -8.092 1.664 1.00 0.24 H new ATOM 0 HD1 PHE A 98 -4.881 -8.981 0.645 1.00 1.26 H new ATOM 0 HD2 PHE A 98 -1.555 -7.860 -1.771 1.00 1.18 H new ATOM 0 HE1 PHE A 98 -5.860 -10.176 -1.263 1.00 1.31 H new ATOM 0 HE2 PHE A 98 -2.535 -9.056 -3.677 1.00 1.17 H new ATOM 0 HZ PHE A 98 -4.690 -10.215 -3.424 1.00 0.40 H new ATOM 401 N ALA A 99 -1.048 -5.121 -0.299 1.00 0.20 N ATOM 402 CA ALA A 99 -0.281 -4.573 -1.399 1.00 0.19 C ATOM 403 C ALA A 99 1.021 -5.345 -1.525 1.00 0.17 C ATOM 404 O ALA A 99 1.594 -5.774 -0.523 1.00 0.19 O ATOM 405 CB ALA A 99 -0.009 -3.091 -1.195 1.00 0.21 C ATOM 0 H ALA A 99 -0.495 -5.294 0.540 1.00 0.20 H new ATOM 0 HA ALA A 99 -0.856 -4.673 -2.319 1.00 0.19 H new ATOM 0 HB1 ALA A 99 0.568 -2.708 -2.036 1.00 0.21 H new ATOM 0 HB2 ALA A 99 -0.955 -2.553 -1.129 1.00 0.21 H new ATOM 0 HB3 ALA A 99 0.555 -2.948 -0.273 1.00 0.21 H new ATOM 411 N VAL A 100 1.470 -5.539 -2.745 1.00 0.17 N ATOM 412 CA VAL A 100 2.673 -6.304 -3.002 1.00 0.18 C ATOM 413 C VAL A 100 3.756 -5.421 -3.605 1.00 0.19 C ATOM 414 O VAL A 100 3.549 -4.781 -4.639 1.00 0.22 O ATOM 415 CB VAL A 100 2.383 -7.482 -3.952 1.00 0.23 C ATOM 416 CG1 VAL A 100 3.650 -8.253 -4.270 1.00 0.26 C ATOM 417 CG2 VAL A 100 1.334 -8.403 -3.352 1.00 0.25 C ATOM 0 H VAL A 100 1.016 -5.174 -3.583 1.00 0.17 H new ATOM 0 HA VAL A 100 3.024 -6.697 -2.048 1.00 0.18 H new ATOM 0 HB VAL A 100 1.995 -7.075 -4.886 1.00 0.23 H new ATOM 0 HG11 VAL A 100 3.415 -9.078 -4.942 1.00 0.26 H new ATOM 0 HG12 VAL A 100 4.370 -7.589 -4.749 1.00 0.26 H new ATOM 0 HG13 VAL A 100 4.077 -8.647 -3.348 1.00 0.26 H new ATOM 0 HG21 VAL A 100 1.141 -9.229 -4.036 1.00 0.25 H new ATOM 0 HG22 VAL A 100 1.695 -8.795 -2.401 1.00 0.25 H new ATOM 0 HG23 VAL A 100 0.412 -7.846 -3.187 1.00 0.25 H new ATOM 427 N LEU A 101 4.908 -5.386 -2.955 1.00 0.19 N ATOM 428 CA LEU A 101 6.032 -4.609 -3.442 1.00 0.19 C ATOM 429 C LEU A 101 7.062 -5.533 -4.066 1.00 0.21 C ATOM 430 O LEU A 101 7.553 -6.464 -3.428 1.00 0.23 O ATOM 431 CB LEU A 101 6.681 -3.772 -2.331 1.00 0.19 C ATOM 432 CG LEU A 101 5.783 -2.709 -1.689 1.00 0.22 C ATOM 433 CD1 LEU A 101 4.910 -3.320 -0.602 1.00 0.30 C ATOM 434 CD2 LEU A 101 6.623 -1.569 -1.129 1.00 0.21 C ATOM 0 H LEU A 101 5.088 -5.889 -2.086 1.00 0.19 H new ATOM 0 HA LEU A 101 5.654 -3.915 -4.193 1.00 0.19 H new ATOM 0 HB2 LEU A 101 7.029 -4.447 -1.549 1.00 0.19 H new ATOM 0 HB3 LEU A 101 7.562 -3.278 -2.741 1.00 0.19 H new ATOM 0 HG LEU A 101 5.127 -2.306 -2.460 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.282 -2.546 -0.162 1.00 0.30 H new ATOM 0 HD12 LEU A 101 4.279 -4.096 -1.035 1.00 0.30 H new ATOM 0 HD13 LEU A 101 5.543 -3.757 0.171 1.00 0.30 H new ATOM 0 HD21 LEU A 101 5.969 -0.823 -0.677 1.00 0.21 H new ATOM 0 HD22 LEU A 101 7.307 -1.958 -0.374 1.00 0.21 H new ATOM 0 HD23 LEU A 101 7.195 -1.109 -1.935 1.00 0.21 H new ATOM 446 N GLU A 102 7.378 -5.269 -5.312 1.00 0.24 N ATOM 447 CA GLU A 102 8.287 -6.102 -6.065 1.00 0.29 C ATOM 448 C GLU A 102 9.685 -5.506 -6.049 1.00 0.28 C ATOM 449 O GLU A 102 9.862 -4.304 -6.268 1.00 0.26 O ATOM 450 CB GLU A 102 7.778 -6.251 -7.497 1.00 0.34 C ATOM 451 CG GLU A 102 8.692 -7.058 -8.401 1.00 0.41 C ATOM 452 CD GLU A 102 8.144 -7.183 -9.804 1.00 0.53 C ATOM 453 OE1 GLU A 102 8.247 -6.206 -10.575 1.00 1.32 O ATOM 454 OE2 GLU A 102 7.608 -8.258 -10.143 1.00 0.95 O ATOM 0 H GLU A 102 7.013 -4.471 -5.832 1.00 0.24 H new ATOM 0 HA GLU A 102 8.335 -7.089 -5.605 1.00 0.29 H new ATOM 0 HB2 GLU A 102 6.797 -6.725 -7.474 1.00 0.34 H new ATOM 0 HB3 GLU A 102 7.643 -5.259 -7.928 1.00 0.34 H new ATOM 0 HG2 GLU A 102 9.674 -6.585 -8.437 1.00 0.41 H new ATOM 0 HG3 GLU A 102 8.832 -8.053 -7.978 1.00 0.41 H new ATOM 461 N ASN A 103 10.665 -6.346 -5.768 1.00 0.38 N ATOM 462 CA ASN A 103 12.053 -5.922 -5.744 1.00 0.44 C ATOM 463 C ASN A 103 12.641 -5.993 -7.146 1.00 0.37 C ATOM 464 O ASN A 103 12.566 -7.033 -7.802 1.00 0.51 O ATOM 465 CB ASN A 103 12.860 -6.810 -4.799 1.00 0.68 C ATOM 466 CG ASN A 103 14.275 -6.311 -4.610 1.00 0.87 C ATOM 467 OD1 ASN A 103 15.205 -7.096 -4.441 1.00 1.76 O ATOM 468 ND2 ASN A 103 14.442 -5.001 -4.623 1.00 1.64 N ATOM 0 H ASN A 103 10.523 -7.333 -5.552 1.00 0.38 H new ATOM 0 HA ASN A 103 12.099 -4.893 -5.387 1.00 0.44 H new ATOM 0 HB2 ASN A 103 12.361 -6.855 -3.831 1.00 0.68 H new ATOM 0 HB3 ASN A 103 12.885 -7.826 -5.192 1.00 0.68 H new ATOM 0 HD21 ASN A 103 15.372 -4.604 -4.489 1.00 1.64 H new ATOM 0 HD22 ASN A 103 13.641 -4.386 -4.767 1.00 1.64 H new ATOM 475 N THR A 104 13.228 -4.896 -7.604 1.00 0.34 N ATOM 476 CA THR A 104 13.763 -4.831 -8.952 1.00 0.38 C ATOM 477 C THR A 104 15.268 -4.553 -8.959 1.00 0.50 C ATOM 478 O THR A 104 15.759 -3.728 -9.736 1.00 0.70 O ATOM 479 CB THR A 104 13.019 -3.772 -9.789 1.00 0.55 C ATOM 480 OG1 THR A 104 12.909 -2.543 -9.059 1.00 0.77 O ATOM 481 CG2 THR A 104 11.633 -4.264 -10.166 1.00 0.73 C ATOM 0 H THR A 104 13.345 -4.041 -7.060 1.00 0.34 H new ATOM 0 HA THR A 104 13.606 -5.810 -9.405 1.00 0.38 H new ATOM 0 HB THR A 104 13.593 -3.598 -10.699 1.00 0.55 H new ATOM 0 HG1 THR A 104 12.436 -1.880 -9.604 1.00 0.77 H new ATOM 0 HG21 THR A 104 11.124 -3.502 -10.756 1.00 0.73 H new ATOM 0 HG22 THR A 104 11.719 -5.179 -10.751 1.00 0.73 H new ATOM 0 HG23 THR A 104 11.059 -4.464 -9.261 1.00 0.73 H new ATOM 489 N GLY A 105 15.996 -5.252 -8.097 1.00 0.52 N ATOM 490 CA GLY A 105 17.447 -5.200 -8.134 1.00 0.72 C ATOM 491 C GLY A 105 18.085 -4.718 -6.847 1.00 0.66 C ATOM 492 O GLY A 105 19.083 -5.288 -6.410 1.00 0.80 O ATOM 0 H GLY A 105 15.608 -5.855 -7.372 1.00 0.52 H new ATOM 0 HA2 GLY A 105 17.829 -6.194 -8.365 1.00 0.72 H new ATOM 0 HA3 GLY A 105 17.755 -4.543 -8.947 1.00 0.72 H new ATOM 496 N GLU A 106 17.524 -3.698 -6.220 1.00 0.60 N ATOM 497 CA GLU A 106 18.054 -3.226 -4.948 1.00 0.56 C ATOM 498 C GLU A 106 17.292 -3.887 -3.814 1.00 0.65 C ATOM 499 O GLU A 106 16.217 -3.434 -3.427 1.00 1.05 O ATOM 500 CB GLU A 106 17.976 -1.702 -4.846 1.00 0.68 C ATOM 501 CG GLU A 106 18.805 -0.977 -5.901 1.00 1.25 C ATOM 502 CD GLU A 106 20.300 -1.191 -5.749 1.00 1.91 C ATOM 503 OE1 GLU A 106 20.767 -2.338 -5.907 1.00 2.54 O ATOM 504 OE2 GLU A 106 21.021 -0.200 -5.512 1.00 2.47 O ATOM 0 H GLU A 106 16.712 -3.185 -6.564 1.00 0.60 H new ATOM 0 HA GLU A 106 19.107 -3.498 -4.880 1.00 0.56 H new ATOM 0 HB2 GLU A 106 16.935 -1.393 -4.938 1.00 0.68 H new ATOM 0 HB3 GLU A 106 18.313 -1.395 -3.856 1.00 0.68 H new ATOM 0 HG2 GLU A 106 18.496 -1.316 -6.890 1.00 1.25 H new ATOM 0 HG3 GLU A 106 18.592 0.091 -5.849 1.00 1.25 H new ATOM 511 N LYS A 107 17.848 -4.983 -3.323 1.00 0.61 N ATOM 512 CA LYS A 107 17.178 -5.843 -2.355 1.00 0.69 C ATOM 513 C LYS A 107 17.022 -5.190 -0.984 1.00 0.66 C ATOM 514 O LYS A 107 17.991 -4.726 -0.380 1.00 0.76 O ATOM 515 CB LYS A 107 17.943 -7.159 -2.236 1.00 0.86 C ATOM 516 CG LYS A 107 19.424 -6.980 -1.942 1.00 1.37 C ATOM 517 CD LYS A 107 20.186 -8.274 -2.152 1.00 1.80 C ATOM 518 CE LYS A 107 21.682 -8.072 -1.977 1.00 2.66 C ATOM 519 NZ LYS A 107 22.445 -9.315 -2.247 1.00 3.32 N ATOM 0 H LYS A 107 18.780 -5.304 -3.584 1.00 0.61 H new ATOM 0 HA LYS A 107 16.168 -6.026 -2.722 1.00 0.69 H new ATOM 0 HB2 LYS A 107 17.494 -7.760 -1.445 1.00 0.86 H new ATOM 0 HB3 LYS A 107 17.831 -7.720 -3.164 1.00 0.86 H new ATOM 0 HG2 LYS A 107 19.834 -6.204 -2.589 1.00 1.37 H new ATOM 0 HG3 LYS A 107 19.555 -6.641 -0.914 1.00 1.37 H new ATOM 0 HD2 LYS A 107 19.834 -9.024 -1.444 1.00 1.80 H new ATOM 0 HD3 LYS A 107 19.984 -8.659 -3.152 1.00 1.80 H new ATOM 0 HE2 LYS A 107 22.023 -7.284 -2.649 1.00 2.66 H new ATOM 0 HE3 LYS A 107 21.886 -7.735 -0.961 1.00 2.66 H new ATOM 0 HZ1 LYS A 107 23.461 -9.134 -2.116 1.00 3.32 H new ATOM 0 HZ2 LYS A 107 22.139 -10.060 -1.589 1.00 3.32 H new ATOM 0 HZ3 LYS A 107 22.271 -9.624 -3.225 1.00 3.32 H new ATOM 533 N LEU A 108 15.787 -5.184 -0.497 1.00 0.59 N ATOM 534 CA LEU A 108 15.461 -4.620 0.807 1.00 0.57 C ATOM 535 C LEU A 108 16.137 -5.434 1.911 1.00 0.63 C ATOM 536 O LEU A 108 15.642 -6.481 2.322 1.00 0.74 O ATOM 537 CB LEU A 108 13.930 -4.603 0.997 1.00 0.60 C ATOM 538 CG LEU A 108 13.384 -3.780 2.178 1.00 0.58 C ATOM 539 CD1 LEU A 108 13.524 -4.529 3.494 1.00 0.61 C ATOM 540 CD2 LEU A 108 14.088 -2.434 2.259 1.00 0.56 C ATOM 0 H LEU A 108 14.984 -5.570 -0.994 1.00 0.59 H new ATOM 0 HA LEU A 108 15.829 -3.596 0.863 1.00 0.57 H new ATOM 0 HB2 LEU A 108 13.479 -4.222 0.081 1.00 0.60 H new ATOM 0 HB3 LEU A 108 13.591 -5.632 1.115 1.00 0.60 H new ATOM 0 HG LEU A 108 12.321 -3.614 2.001 1.00 0.58 H new ATOM 0 HD11 LEU A 108 13.128 -3.917 4.305 1.00 0.61 H new ATOM 0 HD12 LEU A 108 12.968 -5.465 3.441 1.00 0.61 H new ATOM 0 HD13 LEU A 108 14.576 -4.742 3.681 1.00 0.61 H new ATOM 0 HD21 LEU A 108 13.690 -1.865 3.099 1.00 0.56 H new ATOM 0 HD22 LEU A 108 15.157 -2.591 2.401 1.00 0.56 H new ATOM 0 HD23 LEU A 108 13.922 -1.880 1.335 1.00 0.56 H new ATOM 552 N LYS A 109 17.279 -4.957 2.375 1.00 0.62 N ATOM 553 CA LYS A 109 18.011 -5.646 3.423 1.00 0.73 C ATOM 554 C LYS A 109 18.563 -4.665 4.452 1.00 0.75 C ATOM 555 O LYS A 109 18.779 -5.020 5.610 1.00 1.15 O ATOM 556 CB LYS A 109 19.155 -6.457 2.808 1.00 0.92 C ATOM 557 CG LYS A 109 19.954 -7.257 3.822 1.00 1.17 C ATOM 558 CD LYS A 109 21.016 -8.114 3.156 1.00 1.66 C ATOM 559 CE LYS A 109 22.045 -7.274 2.417 1.00 2.07 C ATOM 560 NZ LYS A 109 23.109 -8.114 1.806 1.00 2.72 N ATOM 0 H LYS A 109 17.718 -4.098 2.044 1.00 0.62 H new ATOM 0 HA LYS A 109 17.321 -6.317 3.935 1.00 0.73 H new ATOM 0 HB2 LYS A 109 18.745 -7.139 2.063 1.00 0.92 H new ATOM 0 HB3 LYS A 109 19.828 -5.779 2.283 1.00 0.92 H new ATOM 0 HG2 LYS A 109 20.428 -6.577 4.530 1.00 1.17 H new ATOM 0 HG3 LYS A 109 19.280 -7.894 4.395 1.00 1.17 H new ATOM 0 HD2 LYS A 109 21.517 -8.721 3.910 1.00 1.66 H new ATOM 0 HD3 LYS A 109 20.541 -8.802 2.457 1.00 1.66 H new ATOM 0 HE2 LYS A 109 21.549 -6.693 1.639 1.00 2.07 H new ATOM 0 HE3 LYS A 109 22.496 -6.562 3.108 1.00 2.07 H new ATOM 0 HZ1 LYS A 109 23.791 -7.505 1.311 1.00 2.72 H new ATOM 0 HZ2 LYS A 109 23.599 -8.649 2.551 1.00 2.72 H new ATOM 0 HZ3 LYS A 109 22.682 -8.777 1.128 1.00 2.72 H new ATOM 574 N LYS A 110 18.772 -3.427 4.035 1.00 0.62 N ATOM 575 CA LYS A 110 19.473 -2.458 4.867 1.00 0.73 C ATOM 576 C LYS A 110 18.553 -1.339 5.341 1.00 0.77 C ATOM 577 O LYS A 110 19.020 -0.264 5.719 1.00 1.53 O ATOM 578 CB LYS A 110 20.650 -1.871 4.092 1.00 0.93 C ATOM 579 CG LYS A 110 21.679 -2.908 3.677 1.00 1.14 C ATOM 580 CD LYS A 110 22.739 -2.308 2.773 1.00 1.46 C ATOM 581 CE LYS A 110 23.712 -3.365 2.288 1.00 1.80 C ATOM 582 NZ LYS A 110 24.550 -2.866 1.170 1.00 1.59 N ATOM 0 H LYS A 110 18.468 -3.069 3.130 1.00 0.62 H new ATOM 0 HA LYS A 110 19.835 -2.981 5.752 1.00 0.73 H new ATOM 0 HB2 LYS A 110 20.274 -1.367 3.202 1.00 0.93 H new ATOM 0 HB3 LYS A 110 21.137 -1.113 4.705 1.00 0.93 H new ATOM 0 HG2 LYS A 110 22.152 -3.329 4.565 1.00 1.14 H new ATOM 0 HG3 LYS A 110 21.182 -3.729 3.161 1.00 1.14 H new ATOM 0 HD2 LYS A 110 22.262 -1.830 1.917 1.00 1.46 H new ATOM 0 HD3 LYS A 110 23.282 -1.531 3.311 1.00 1.46 H new ATOM 0 HE2 LYS A 110 24.353 -3.676 3.113 1.00 1.80 H new ATOM 0 HE3 LYS A 110 23.160 -4.247 1.964 1.00 1.80 H new ATOM 0 HZ1 LYS A 110 25.260 -3.584 0.921 1.00 1.59 H new ATOM 0 HZ2 LYS A 110 23.948 -2.673 0.344 1.00 1.59 H new ATOM 0 HZ3 LYS A 110 25.031 -1.991 1.460 1.00 1.59 H new ATOM 596 N SER A 111 17.252 -1.595 5.324 1.00 0.51 N ATOM 597 CA SER A 111 16.272 -0.622 5.785 1.00 0.52 C ATOM 598 C SER A 111 14.880 -1.238 5.748 1.00 0.48 C ATOM 599 O SER A 111 14.736 -2.422 5.445 1.00 0.86 O ATOM 600 CB SER A 111 16.316 0.643 4.924 1.00 0.72 C ATOM 601 OG SER A 111 15.659 1.717 5.569 1.00 1.55 O ATOM 0 H SER A 111 16.850 -2.472 4.994 1.00 0.51 H new ATOM 0 HA SER A 111 16.513 -0.342 6.811 1.00 0.52 H new ATOM 0 HB2 SER A 111 17.352 0.914 4.722 1.00 0.72 H new ATOM 0 HB3 SER A 111 15.844 0.449 3.961 1.00 0.72 H new ATOM 0 HG SER A 111 16.019 2.567 5.239 1.00 1.55 H new ATOM 607 N LYS A 112 13.866 -0.441 6.067 1.00 0.39 N ATOM 608 CA LYS A 112 12.487 -0.917 6.094 1.00 0.32 C ATOM 609 C LYS A 112 11.554 0.138 5.507 1.00 0.28 C ATOM 610 O LYS A 112 11.551 1.286 5.952 1.00 0.33 O ATOM 611 CB LYS A 112 12.059 -1.250 7.529 1.00 0.45 C ATOM 612 CG LYS A 112 13.046 -2.138 8.271 1.00 0.55 C ATOM 613 CD LYS A 112 12.496 -2.596 9.608 1.00 0.69 C ATOM 614 CE LYS A 112 13.520 -3.417 10.380 1.00 0.84 C ATOM 615 NZ LYS A 112 14.023 -4.575 9.591 1.00 1.53 N ATOM 0 H LYS A 112 13.974 0.543 6.312 1.00 0.39 H new ATOM 0 HA LYS A 112 12.425 -1.823 5.492 1.00 0.32 H new ATOM 0 HB2 LYS A 112 11.930 -0.321 8.085 1.00 0.45 H new ATOM 0 HB3 LYS A 112 11.088 -1.744 7.504 1.00 0.45 H new ATOM 0 HG2 LYS A 112 13.284 -3.008 7.659 1.00 0.55 H new ATOM 0 HG3 LYS A 112 13.977 -1.594 8.428 1.00 0.55 H new ATOM 0 HD2 LYS A 112 12.203 -1.728 10.199 1.00 0.69 H new ATOM 0 HD3 LYS A 112 11.597 -3.191 9.448 1.00 0.69 H new ATOM 0 HE2 LYS A 112 14.358 -2.779 10.660 1.00 0.84 H new ATOM 0 HE3 LYS A 112 13.071 -3.778 11.305 1.00 0.84 H new ATOM 0 HZ1 LYS A 112 14.555 -5.215 10.215 1.00 1.53 H new ATOM 0 HZ2 LYS A 112 13.219 -5.086 9.174 1.00 1.53 H new ATOM 0 HZ3 LYS A 112 14.647 -4.233 8.832 1.00 1.53 H new ATOM 629 N TRP A 113 10.763 -0.256 4.514 1.00 0.24 N ATOM 630 CA TRP A 113 9.862 0.671 3.831 1.00 0.22 C ATOM 631 C TRP A 113 8.620 0.950 4.661 1.00 0.21 C ATOM 632 O TRP A 113 7.991 0.033 5.189 1.00 0.25 O ATOM 633 CB TRP A 113 9.468 0.133 2.450 1.00 0.22 C ATOM 634 CG TRP A 113 10.499 0.402 1.395 1.00 0.23 C ATOM 635 CD1 TRP A 113 11.818 0.059 1.435 1.00 0.24 C ATOM 636 CD2 TRP A 113 10.297 1.071 0.140 1.00 0.24 C ATOM 637 NE1 TRP A 113 12.449 0.477 0.292 1.00 0.25 N ATOM 638 CE2 TRP A 113 11.540 1.096 -0.519 1.00 0.25 C ATOM 639 CE3 TRP A 113 9.192 1.649 -0.494 1.00 0.28 C ATOM 640 CZ2 TRP A 113 11.712 1.673 -1.772 1.00 0.29 C ATOM 641 CZ3 TRP A 113 9.366 2.223 -1.742 1.00 0.32 C ATOM 642 CH2 TRP A 113 10.618 2.230 -2.367 1.00 0.32 C ATOM 0 H TRP A 113 10.726 -1.213 4.162 1.00 0.24 H new ATOM 0 HA TRP A 113 10.399 1.610 3.699 1.00 0.22 H new ATOM 0 HB2 TRP A 113 9.301 -0.942 2.520 1.00 0.22 H new ATOM 0 HB3 TRP A 113 8.522 0.583 2.148 1.00 0.22 H new ATOM 0 HD1 TRP A 113 12.296 -0.466 2.249 1.00 0.24 H new ATOM 0 HE1 TRP A 113 13.438 0.347 0.081 1.00 0.25 H new ATOM 0 HE3 TRP A 113 8.222 1.648 -0.019 1.00 0.28 H new ATOM 0 HZ2 TRP A 113 12.677 1.680 -2.257 1.00 0.29 H new ATOM 0 HZ3 TRP A 113 8.521 2.673 -2.242 1.00 0.32 H new ATOM 0 HH2 TRP A 113 10.720 2.686 -3.341 1.00 0.32 H new ATOM 653 N LYS A 114 8.279 2.226 4.760 1.00 0.20 N ATOM 654 CA LYS A 114 7.159 2.678 5.566 1.00 0.24 C ATOM 655 C LYS A 114 5.882 2.729 4.735 1.00 0.20 C ATOM 656 O LYS A 114 5.858 3.333 3.660 1.00 0.24 O ATOM 657 CB LYS A 114 7.472 4.069 6.115 1.00 0.37 C ATOM 658 CG LYS A 114 6.390 4.647 7.009 1.00 0.58 C ATOM 659 CD LYS A 114 6.351 3.972 8.366 1.00 1.04 C ATOM 660 CE LYS A 114 5.334 4.635 9.277 1.00 1.08 C ATOM 661 NZ LYS A 114 5.634 6.075 9.492 1.00 1.66 N ATOM 0 H LYS A 114 8.774 2.978 4.281 1.00 0.20 H new ATOM 0 HA LYS A 114 7.006 1.977 6.387 1.00 0.24 H new ATOM 0 HB2 LYS A 114 8.405 4.023 6.677 1.00 0.37 H new ATOM 0 HB3 LYS A 114 7.637 4.748 5.278 1.00 0.37 H new ATOM 0 HG2 LYS A 114 6.562 5.715 7.141 1.00 0.58 H new ATOM 0 HG3 LYS A 114 5.421 4.537 6.522 1.00 0.58 H new ATOM 0 HD2 LYS A 114 6.102 2.918 8.244 1.00 1.04 H new ATOM 0 HD3 LYS A 114 7.338 4.015 8.826 1.00 1.04 H new ATOM 0 HE2 LYS A 114 4.339 4.533 8.844 1.00 1.08 H new ATOM 0 HE3 LYS A 114 5.318 4.121 10.238 1.00 1.08 H new ATOM 0 HZ1 LYS A 114 5.207 6.389 10.387 1.00 1.66 H new ATOM 0 HZ2 LYS A 114 6.664 6.213 9.533 1.00 1.66 H new ATOM 0 HZ3 LYS A 114 5.241 6.632 8.707 1.00 1.66 H new ATOM 675 N TRP A 115 4.826 2.106 5.236 1.00 0.17 N ATOM 676 CA TRP A 115 3.546 2.113 4.547 1.00 0.15 C ATOM 677 C TRP A 115 2.430 2.550 5.479 1.00 0.16 C ATOM 678 O TRP A 115 2.522 2.385 6.696 1.00 0.18 O ATOM 679 CB TRP A 115 3.225 0.728 3.977 1.00 0.15 C ATOM 680 CG TRP A 115 3.041 -0.334 5.023 1.00 0.16 C ATOM 681 CD1 TRP A 115 4.011 -1.121 5.559 1.00 0.19 C ATOM 682 CD2 TRP A 115 1.813 -0.732 5.650 1.00 0.17 C ATOM 683 NE1 TRP A 115 3.469 -1.979 6.484 1.00 0.22 N ATOM 684 CE2 TRP A 115 2.123 -1.761 6.557 1.00 0.20 C ATOM 685 CE3 TRP A 115 0.484 -0.317 5.536 1.00 0.18 C ATOM 686 CZ2 TRP A 115 1.157 -2.381 7.342 1.00 0.23 C ATOM 687 CZ3 TRP A 115 -0.476 -0.935 6.315 1.00 0.20 C ATOM 688 CH2 TRP A 115 -0.135 -1.957 7.209 1.00 0.22 C ATOM 0 H TRP A 115 4.831 1.590 6.116 1.00 0.17 H new ATOM 0 HA TRP A 115 3.620 2.826 3.726 1.00 0.15 H new ATOM 0 HB2 TRP A 115 2.317 0.794 3.377 1.00 0.15 H new ATOM 0 HB3 TRP A 115 4.029 0.427 3.306 1.00 0.15 H new ATOM 0 HD1 TRP A 115 5.057 -1.078 5.295 1.00 0.19 H new ATOM 0 HE1 TRP A 115 3.988 -2.668 7.029 1.00 0.22 H new ATOM 0 HE3 TRP A 115 0.212 0.473 4.851 1.00 0.18 H new ATOM 0 HZ2 TRP A 115 1.419 -3.169 8.032 1.00 0.23 H new ATOM 0 HZ3 TRP A 115 -1.507 -0.624 6.233 1.00 0.20 H new ATOM 0 HH2 TRP A 115 -0.908 -2.419 7.805 1.00 0.22 H new ATOM 699 N GLU A 116 1.388 3.121 4.896 1.00 0.17 N ATOM 700 CA GLU A 116 0.177 3.460 5.626 1.00 0.20 C ATOM 701 C GLU A 116 -1.047 3.103 4.792 1.00 0.19 C ATOM 702 O GLU A 116 -1.069 3.338 3.583 1.00 0.25 O ATOM 703 CB GLU A 116 0.130 4.954 5.953 1.00 0.32 C ATOM 704 CG GLU A 116 1.323 5.479 6.727 1.00 0.50 C ATOM 705 CD GLU A 116 1.198 6.958 7.019 1.00 0.64 C ATOM 706 OE1 GLU A 116 0.305 7.612 6.433 1.00 1.40 O ATOM 707 OE2 GLU A 116 1.993 7.478 7.827 1.00 1.22 O ATOM 0 H GLU A 116 1.358 3.362 3.905 1.00 0.17 H new ATOM 0 HA GLU A 116 0.178 2.893 6.557 1.00 0.20 H new ATOM 0 HB2 GLU A 116 0.047 5.512 5.020 1.00 0.32 H new ATOM 0 HB3 GLU A 116 -0.774 5.157 6.527 1.00 0.32 H new ATOM 0 HG2 GLU A 116 1.418 4.930 7.664 1.00 0.50 H new ATOM 0 HG3 GLU A 116 2.234 5.297 6.157 1.00 0.50 H new ATOM 714 N LEU A 117 -2.061 2.542 5.429 1.00 0.17 N ATOM 715 CA LEU A 117 -3.326 2.294 4.759 1.00 0.16 C ATOM 716 C LEU A 117 -4.228 3.495 4.938 1.00 0.15 C ATOM 717 O LEU A 117 -4.499 3.917 6.064 1.00 0.19 O ATOM 718 CB LEU A 117 -4.033 1.059 5.307 1.00 0.19 C ATOM 719 CG LEU A 117 -5.390 0.780 4.653 1.00 0.21 C ATOM 720 CD1 LEU A 117 -5.221 0.093 3.308 1.00 0.22 C ATOM 721 CD2 LEU A 117 -6.275 -0.036 5.574 1.00 0.25 C ATOM 0 H LEU A 117 -2.033 2.251 6.406 1.00 0.17 H new ATOM 0 HA LEU A 117 -3.113 2.120 3.704 1.00 0.16 H new ATOM 0 HB2 LEU A 117 -3.388 0.191 5.168 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -4.176 1.181 6.381 1.00 0.19 H new ATOM 0 HG LEU A 117 -5.879 1.738 4.476 1.00 0.21 H new ATOM 0 HD11 LEU A 117 -6.201 -0.092 2.868 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -4.640 0.732 2.643 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -4.701 -0.855 3.446 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -7.233 -0.221 5.088 1.00 0.25 H new ATOM 0 HD22 LEU A 117 -5.791 -0.987 5.796 1.00 0.25 H new ATOM 0 HD23 LEU A 117 -6.439 0.513 6.501 1.00 0.25 H new ATOM 733 N HIS A 118 -4.688 4.046 3.834 1.00 0.13 N ATOM 734 CA HIS A 118 -5.502 5.241 3.876 1.00 0.14 C ATOM 735 C HIS A 118 -6.922 4.940 3.446 1.00 0.18 C ATOM 736 O HIS A 118 -7.148 4.151 2.527 1.00 0.21 O ATOM 737 CB HIS A 118 -4.898 6.331 2.988 1.00 0.18 C ATOM 738 CG HIS A 118 -3.608 6.887 3.515 1.00 0.20 C ATOM 739 ND1 HIS A 118 -3.292 8.224 3.472 1.00 0.50 N ATOM 740 CD2 HIS A 118 -2.558 6.278 4.116 1.00 0.24 C ATOM 741 CE1 HIS A 118 -2.106 8.410 4.022 1.00 0.45 C ATOM 742 NE2 HIS A 118 -1.637 7.248 4.426 1.00 0.22 N ATOM 0 H HIS A 118 -4.512 3.685 2.897 1.00 0.13 H new ATOM 0 HA HIS A 118 -5.524 5.601 4.905 1.00 0.14 H new ATOM 0 HB2 HIS A 118 -4.728 5.924 1.991 1.00 0.18 H new ATOM 0 HB3 HIS A 118 -5.618 7.143 2.882 1.00 0.18 H new ATOM 0 HD2 HIS A 118 -2.462 5.221 4.315 1.00 0.24 H new ATOM 0 HE1 HIS A 118 -1.603 9.360 4.124 1.00 0.45 H new ATOM 0 HE2 HIS A 118 -0.742 7.094 4.890 1.00 0.22 H new ATOM 751 N LYS A 119 -7.865 5.547 4.136 1.00 0.22 N ATOM 752 CA LYS A 119 -9.267 5.441 3.788 1.00 0.29 C ATOM 753 C LYS A 119 -9.655 6.659 2.959 1.00 0.27 C ATOM 754 O LYS A 119 -9.986 7.715 3.498 1.00 0.43 O ATOM 755 CB LYS A 119 -10.111 5.345 5.067 1.00 0.43 C ATOM 756 CG LYS A 119 -11.519 4.801 4.863 1.00 0.70 C ATOM 757 CD LYS A 119 -12.446 5.810 4.209 1.00 0.84 C ATOM 758 CE LYS A 119 -13.849 5.253 4.066 1.00 1.04 C ATOM 759 NZ LYS A 119 -14.800 6.278 3.569 1.00 1.69 N ATOM 0 H LYS A 119 -7.681 6.128 4.954 1.00 0.22 H new ATOM 0 HA LYS A 119 -9.449 4.541 3.200 1.00 0.29 H new ATOM 0 HB2 LYS A 119 -9.590 4.708 5.782 1.00 0.43 H new ATOM 0 HB3 LYS A 119 -10.181 6.336 5.515 1.00 0.43 H new ATOM 0 HG2 LYS A 119 -11.472 3.903 4.246 1.00 0.70 H new ATOM 0 HG3 LYS A 119 -11.933 4.504 5.827 1.00 0.70 H new ATOM 0 HD2 LYS A 119 -12.473 6.722 4.805 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -12.058 6.082 3.227 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -13.836 4.406 3.380 1.00 1.04 H new ATOM 0 HE3 LYS A 119 -14.191 4.877 5.030 1.00 1.04 H new ATOM 0 HZ1 LYS A 119 -15.748 5.860 3.484 1.00 1.69 H new ATOM 0 HZ2 LYS A 119 -14.832 7.075 4.236 1.00 1.69 H new ATOM 0 HZ3 LYS A 119 -14.488 6.619 2.637 1.00 1.69 H new ATOM 773 N LEU A 120 -9.605 6.510 1.646 1.00 0.23 N ATOM 774 CA LEU A 120 -9.828 7.627 0.748 1.00 0.26 C ATOM 775 C LEU A 120 -11.319 7.822 0.522 1.00 0.34 C ATOM 776 O LEU A 120 -12.063 6.862 0.336 1.00 0.37 O ATOM 777 CB LEU A 120 -9.105 7.412 -0.595 1.00 0.24 C ATOM 778 CG LEU A 120 -7.566 7.400 -0.546 1.00 0.20 C ATOM 779 CD1 LEU A 120 -7.030 8.588 0.239 1.00 0.25 C ATOM 780 CD2 LEU A 120 -7.044 6.096 0.027 1.00 0.21 C ATOM 0 H LEU A 120 -9.411 5.624 1.179 1.00 0.23 H new ATOM 0 HA LEU A 120 -9.417 8.525 1.209 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -9.441 6.465 -1.017 1.00 0.24 H new ATOM 0 HB3 LEU A 120 -9.419 8.197 -1.283 1.00 0.24 H new ATOM 0 HG LEU A 120 -7.205 7.484 -1.571 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -5.941 8.552 0.256 1.00 0.25 H new ATOM 0 HD12 LEU A 120 -7.355 9.514 -0.235 1.00 0.25 H new ATOM 0 HD13 LEU A 120 -7.410 8.551 1.260 1.00 0.25 H new ATOM 0 HD21 LEU A 120 -5.954 6.118 0.048 1.00 0.21 H new ATOM 0 HD22 LEU A 120 -7.424 5.966 1.040 1.00 0.21 H new ATOM 0 HD23 LEU A 120 -7.378 5.266 -0.595 1.00 0.21 H new ATOM 792 N GLU A 121 -11.752 9.074 0.559 1.00 0.46 N ATOM 793 CA GLU A 121 -13.162 9.402 0.395 1.00 0.57 C ATOM 794 C GLU A 121 -13.562 9.361 -1.076 1.00 0.58 C ATOM 795 O GLU A 121 -14.747 9.345 -1.408 1.00 0.69 O ATOM 796 CB GLU A 121 -13.459 10.782 0.990 1.00 0.70 C ATOM 797 CG GLU A 121 -13.258 10.853 2.497 1.00 0.80 C ATOM 798 CD GLU A 121 -13.501 12.241 3.052 1.00 1.63 C ATOM 799 OE1 GLU A 121 -12.538 12.878 3.526 1.00 2.36 O ATOM 800 OE2 GLU A 121 -14.657 12.704 3.019 1.00 2.22 O ATOM 0 H GLU A 121 -11.146 9.882 0.702 1.00 0.46 H new ATOM 0 HA GLU A 121 -13.751 8.656 0.928 1.00 0.57 H new ATOM 0 HB2 GLU A 121 -12.816 11.521 0.511 1.00 0.70 H new ATOM 0 HB3 GLU A 121 -14.488 11.055 0.756 1.00 0.70 H new ATOM 0 HG2 GLU A 121 -13.932 10.148 2.983 1.00 0.80 H new ATOM 0 HG3 GLU A 121 -12.242 10.541 2.739 1.00 0.80 H new ATOM 807 N ASN A 122 -12.565 9.332 -1.950 1.00 0.53 N ATOM 808 CA ASN A 122 -12.800 9.248 -3.383 1.00 0.60 C ATOM 809 C ASN A 122 -11.567 8.667 -4.059 1.00 0.62 C ATOM 810 O ASN A 122 -10.457 8.790 -3.541 1.00 1.22 O ATOM 811 CB ASN A 122 -13.130 10.631 -3.974 1.00 0.73 C ATOM 812 CG ASN A 122 -11.900 11.462 -4.287 1.00 1.03 C ATOM 813 OD1 ASN A 122 -11.380 11.418 -5.399 1.00 1.16 O ATOM 814 ND2 ASN A 122 -11.429 12.225 -3.317 1.00 1.87 N ATOM 0 H ASN A 122 -11.580 9.366 -1.688 1.00 0.53 H new ATOM 0 HA ASN A 122 -13.657 8.599 -3.561 1.00 0.60 H new ATOM 0 HB2 ASN A 122 -13.712 10.499 -4.886 1.00 0.73 H new ATOM 0 HB3 ASN A 122 -13.759 11.177 -3.271 1.00 0.73 H new ATOM 0 HD21 ASN A 122 -10.606 12.805 -3.478 1.00 1.87 H new ATOM 0 HD22 ASN A 122 -11.889 12.234 -2.407 1.00 1.87 H new ATOM 821 N ALA A 123 -11.764 8.023 -5.195 1.00 0.67 N ATOM 822 CA ALA A 123 -10.657 7.464 -5.954 1.00 0.66 C ATOM 823 C ALA A 123 -10.554 8.149 -7.310 1.00 0.71 C ATOM 824 O ALA A 123 -10.170 7.538 -8.310 1.00 0.90 O ATOM 825 CB ALA A 123 -10.828 5.963 -6.115 1.00 0.69 C ATOM 0 H ALA A 123 -12.682 7.873 -5.614 1.00 0.67 H new ATOM 0 HA ALA A 123 -9.730 7.641 -5.408 1.00 0.66 H new ATOM 0 HB1 ALA A 123 -9.991 5.561 -6.685 1.00 0.69 H new ATOM 0 HB2 ALA A 123 -10.857 5.493 -5.132 1.00 0.69 H new ATOM 0 HB3 ALA A 123 -11.759 5.757 -6.643 1.00 0.69 H new ATOM 831 N ARG A 124 -10.913 9.422 -7.331 1.00 0.72 N ATOM 832 CA ARG A 124 -10.882 10.215 -8.551 1.00 0.83 C ATOM 833 C ARG A 124 -9.727 11.208 -8.510 1.00 0.75 C ATOM 834 O ARG A 124 -8.915 11.278 -9.435 1.00 0.86 O ATOM 835 CB ARG A 124 -12.202 10.969 -8.727 1.00 1.08 C ATOM 836 CG ARG A 124 -13.393 10.075 -9.036 1.00 1.37 C ATOM 837 CD ARG A 124 -14.691 10.866 -9.046 1.00 1.63 C ATOM 838 NE ARG A 124 -15.063 11.335 -7.708 1.00 2.28 N ATOM 839 CZ ARG A 124 -15.400 12.594 -7.418 1.00 2.84 C ATOM 840 NH1 ARG A 124 -15.366 13.536 -8.357 1.00 2.76 N ATOM 841 NH2 ARG A 124 -15.768 12.910 -6.180 1.00 3.84 N ATOM 0 H ARG A 124 -11.233 9.933 -6.508 1.00 0.72 H new ATOM 0 HA ARG A 124 -10.740 9.540 -9.395 1.00 0.83 H new ATOM 0 HB2 ARG A 124 -12.410 11.532 -7.817 1.00 1.08 H new ATOM 0 HB3 ARG A 124 -12.088 11.695 -9.532 1.00 1.08 H new ATOM 0 HG2 ARG A 124 -13.249 9.596 -10.005 1.00 1.37 H new ATOM 0 HG3 ARG A 124 -13.455 9.280 -8.293 1.00 1.37 H new ATOM 0 HD2 ARG A 124 -14.588 11.721 -9.714 1.00 1.63 H new ATOM 0 HD3 ARG A 124 -15.491 10.243 -9.447 1.00 1.63 H new ATOM 0 HE ARG A 124 -15.065 10.655 -6.948 1.00 2.28 H new ATOM 0 HH11 ARG A 124 -15.081 13.299 -9.307 1.00 2.76 H new ATOM 0 HH12 ARG A 124 -15.625 14.495 -8.127 1.00 2.76 H new ATOM 0 HH21 ARG A 124 -15.792 12.192 -5.456 1.00 3.84 H new ATOM 0 HH22 ARG A 124 -16.026 13.871 -5.954 1.00 3.84 H new ATOM 855 N LYS A 125 -9.667 11.971 -7.430 1.00 0.75 N ATOM 856 CA LYS A 125 -8.632 12.974 -7.237 1.00 0.68 C ATOM 857 C LYS A 125 -7.345 12.304 -6.785 1.00 0.55 C ATOM 858 O LYS A 125 -7.372 11.158 -6.332 1.00 0.53 O ATOM 859 CB LYS A 125 -9.085 13.990 -6.181 1.00 0.79 C ATOM 860 CG LYS A 125 -10.429 14.633 -6.481 1.00 0.93 C ATOM 861 CD LYS A 125 -10.426 15.348 -7.822 1.00 1.64 C ATOM 862 CE LYS A 125 -11.761 16.020 -8.089 1.00 1.90 C ATOM 863 NZ LYS A 125 -11.802 16.683 -9.417 1.00 2.26 N ATOM 0 H LYS A 125 -10.335 11.912 -6.662 1.00 0.75 H new ATOM 0 HA LYS A 125 -8.455 13.491 -8.180 1.00 0.68 H new ATOM 0 HB2 LYS A 125 -9.139 13.493 -5.213 1.00 0.79 H new ATOM 0 HB3 LYS A 125 -8.330 14.772 -6.096 1.00 0.79 H new ATOM 0 HG2 LYS A 125 -11.206 13.869 -6.478 1.00 0.93 H new ATOM 0 HG3 LYS A 125 -10.677 15.342 -5.691 1.00 0.93 H new ATOM 0 HD2 LYS A 125 -9.631 16.094 -7.838 1.00 1.64 H new ATOM 0 HD3 LYS A 125 -10.210 14.634 -8.617 1.00 1.64 H new ATOM 0 HE2 LYS A 125 -12.557 15.278 -8.031 1.00 1.90 H new ATOM 0 HE3 LYS A 125 -11.956 16.758 -7.311 1.00 1.90 H new ATOM 0 HZ1 LYS A 125 -12.732 17.128 -9.554 1.00 2.26 H new ATOM 0 HZ2 LYS A 125 -11.060 17.410 -9.465 1.00 2.26 H new ATOM 0 HZ3 LYS A 125 -11.643 15.976 -10.163 1.00 2.26 H new ATOM 877 N PRO A 126 -6.196 12.990 -6.925 1.00 0.51 N ATOM 878 CA PRO A 126 -4.921 12.488 -6.421 1.00 0.45 C ATOM 879 C PRO A 126 -5.039 12.087 -4.957 1.00 0.39 C ATOM 880 O PRO A 126 -5.445 12.892 -4.115 1.00 0.47 O ATOM 881 CB PRO A 126 -3.960 13.677 -6.579 1.00 0.51 C ATOM 882 CG PRO A 126 -4.831 14.852 -6.877 1.00 0.59 C ATOM 883 CD PRO A 126 -6.039 14.298 -7.573 1.00 0.60 C ATOM 0 HA PRO A 126 -4.583 11.600 -6.955 1.00 0.45 H new ATOM 0 HB2 PRO A 126 -3.381 13.838 -5.670 1.00 0.51 H new ATOM 0 HB3 PRO A 126 -3.247 13.502 -7.385 1.00 0.51 H new ATOM 0 HG2 PRO A 126 -5.112 15.373 -5.962 1.00 0.59 H new ATOM 0 HG3 PRO A 126 -4.312 15.573 -7.508 1.00 0.59 H new ATOM 0 HD2 PRO A 126 -6.916 14.930 -7.432 1.00 0.60 H new ATOM 0 HD3 PRO A 126 -5.883 14.204 -8.648 1.00 0.60 H new ATOM 891 N LEU A 127 -4.708 10.837 -4.666 1.00 0.32 N ATOM 892 CA LEU A 127 -4.877 10.304 -3.327 1.00 0.26 C ATOM 893 C LEU A 127 -4.020 11.081 -2.342 1.00 0.29 C ATOM 894 O LEU A 127 -2.905 11.502 -2.660 1.00 0.37 O ATOM 895 CB LEU A 127 -4.539 8.815 -3.286 1.00 0.24 C ATOM 896 CG LEU A 127 -5.281 7.944 -4.306 1.00 0.26 C ATOM 897 CD1 LEU A 127 -5.019 6.473 -4.037 1.00 0.26 C ATOM 898 CD2 LEU A 127 -6.778 8.231 -4.292 1.00 0.27 C ATOM 0 H LEU A 127 -4.322 10.176 -5.340 1.00 0.32 H new ATOM 0 HA LEU A 127 -5.923 10.415 -3.040 1.00 0.26 H new ATOM 0 HB2 LEU A 127 -3.467 8.699 -3.446 1.00 0.24 H new ATOM 0 HB3 LEU A 127 -4.755 8.438 -2.286 1.00 0.24 H new ATOM 0 HG LEU A 127 -4.902 8.191 -5.298 1.00 0.26 H new ATOM 0 HD11 LEU A 127 -5.553 5.868 -4.770 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -3.950 6.274 -4.112 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -5.366 6.219 -3.035 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -7.277 7.598 -5.026 1.00 0.27 H new ATOM 0 HD22 LEU A 127 -7.179 8.022 -3.300 1.00 0.27 H new ATOM 0 HD23 LEU A 127 -6.950 9.278 -4.540 1.00 0.27 H new ATOM 910 N LYS A 128 -4.545 11.260 -1.147 1.00 0.29 N ATOM 911 CA LYS A 128 -3.952 12.171 -0.190 1.00 0.36 C ATOM 912 C LYS A 128 -3.777 11.532 1.180 1.00 0.26 C ATOM 913 O LYS A 128 -4.441 10.552 1.529 1.00 0.23 O ATOM 914 CB LYS A 128 -4.816 13.426 -0.089 1.00 0.51 C ATOM 915 CG LYS A 128 -6.293 13.136 0.130 1.00 1.10 C ATOM 916 CD LYS A 128 -7.135 14.397 0.024 1.00 1.37 C ATOM 917 CE LYS A 128 -7.036 15.023 -1.360 1.00 1.80 C ATOM 918 NZ LYS A 128 -7.833 16.271 -1.464 1.00 2.27 N ATOM 0 H LYS A 128 -5.384 10.785 -0.815 1.00 0.29 H new ATOM 0 HA LYS A 128 -2.955 12.434 -0.544 1.00 0.36 H new ATOM 0 HB2 LYS A 128 -4.450 14.043 0.732 1.00 0.51 H new ATOM 0 HB3 LYS A 128 -4.701 14.010 -1.002 1.00 0.51 H new ATOM 0 HG2 LYS A 128 -6.634 12.408 -0.606 1.00 1.10 H new ATOM 0 HG3 LYS A 128 -6.434 12.686 1.113 1.00 1.10 H new ATOM 0 HD2 LYS A 128 -8.176 14.159 0.243 1.00 1.37 H new ATOM 0 HD3 LYS A 128 -6.808 15.117 0.774 1.00 1.37 H new ATOM 0 HE2 LYS A 128 -5.992 15.240 -1.586 1.00 1.80 H new ATOM 0 HE3 LYS A 128 -7.382 14.308 -2.107 1.00 1.80 H new ATOM 0 HZ1 LYS A 128 -7.738 16.665 -2.422 1.00 2.27 H new ATOM 0 HZ2 LYS A 128 -8.834 16.061 -1.274 1.00 2.27 H new ATOM 0 HZ3 LYS A 128 -7.487 16.963 -0.769 1.00 2.27 H new ATOM 932 N ASP A 129 -2.857 12.100 1.935 1.00 0.32 N ATOM 933 CA ASP A 129 -2.521 11.624 3.264 1.00 0.39 C ATOM 934 C ASP A 129 -3.377 12.304 4.324 1.00 0.45 C ATOM 935 O ASP A 129 -4.038 13.307 4.055 1.00 0.51 O ATOM 936 CB ASP A 129 -1.042 11.879 3.563 1.00 0.59 C ATOM 937 CG ASP A 129 -0.725 13.354 3.691 1.00 1.00 C ATOM 938 OD1 ASP A 129 -0.583 13.843 4.830 1.00 1.56 O ATOM 939 OD2 ASP A 129 -0.625 14.036 2.651 1.00 1.88 O ATOM 0 H ASP A 129 -2.316 12.913 1.641 1.00 0.32 H new ATOM 0 HA ASP A 129 -2.718 10.552 3.292 1.00 0.39 H new ATOM 0 HB2 ASP A 129 -0.768 11.370 4.487 1.00 0.59 H new ATOM 0 HB3 ASP A 129 -0.434 11.447 2.768 1.00 0.59 H new ATOM 944 N GLY A 130 -3.365 11.738 5.521 1.00 0.51 N ATOM 945 CA GLY A 130 -4.096 12.311 6.636 1.00 0.62 C ATOM 946 C GLY A 130 -5.063 11.318 7.233 1.00 0.60 C ATOM 947 O GLY A 130 -5.212 11.229 8.453 1.00 0.75 O ATOM 0 H GLY A 130 -2.856 10.882 5.743 1.00 0.51 H new ATOM 0 HA2 GLY A 130 -3.394 12.642 7.401 1.00 0.62 H new ATOM 0 HA3 GLY A 130 -4.640 13.194 6.300 1.00 0.62 H new ATOM 951 N ASN A 131 -5.702 10.555 6.366 1.00 0.47 N ATOM 952 CA ASN A 131 -6.571 9.475 6.787 1.00 0.46 C ATOM 953 C ASN A 131 -5.789 8.172 6.805 1.00 0.40 C ATOM 954 O ASN A 131 -5.448 7.628 5.763 1.00 0.46 O ATOM 955 CB ASN A 131 -7.783 9.366 5.853 1.00 0.51 C ATOM 956 CG ASN A 131 -7.412 9.515 4.383 1.00 1.32 C ATOM 957 OD1 ASN A 131 -7.091 8.543 3.704 1.00 2.28 O ATOM 958 ND2 ASN A 131 -7.449 10.743 3.880 1.00 1.45 N ATOM 0 H ASN A 131 -5.633 10.667 5.354 1.00 0.47 H new ATOM 0 HA ASN A 131 -6.938 9.682 7.792 1.00 0.46 H new ATOM 0 HB2 ASN A 131 -8.267 8.401 6.005 1.00 0.51 H new ATOM 0 HB3 ASN A 131 -8.511 10.133 6.119 1.00 0.51 H new ATOM 0 HD21 ASN A 131 -7.206 10.901 2.902 1.00 1.45 H new ATOM 0 HD22 ASN A 131 -7.720 11.528 4.472 1.00 1.45 H new ATOM 965 N VAL A 132 -5.485 7.684 7.989 1.00 0.36 N ATOM 966 CA VAL A 132 -4.714 6.465 8.126 1.00 0.31 C ATOM 967 C VAL A 132 -5.384 5.525 9.114 1.00 0.28 C ATOM 968 O VAL A 132 -5.825 5.935 10.188 1.00 0.35 O ATOM 969 CB VAL A 132 -3.258 6.756 8.566 1.00 0.35 C ATOM 970 CG1 VAL A 132 -3.231 7.534 9.868 1.00 0.73 C ATOM 971 CG2 VAL A 132 -2.462 5.466 8.696 1.00 0.71 C ATOM 0 H VAL A 132 -5.760 8.113 8.872 1.00 0.36 H new ATOM 0 HA VAL A 132 -4.676 5.987 7.147 1.00 0.31 H new ATOM 0 HB VAL A 132 -2.791 7.368 7.794 1.00 0.35 H new ATOM 0 HG11 VAL A 132 -2.197 7.726 10.156 1.00 0.73 H new ATOM 0 HG12 VAL A 132 -3.753 8.482 9.736 1.00 0.73 H new ATOM 0 HG13 VAL A 132 -3.723 6.954 10.649 1.00 0.73 H new ATOM 0 HG21 VAL A 132 -1.443 5.697 9.006 1.00 0.71 H new ATOM 0 HG22 VAL A 132 -2.931 4.823 9.441 1.00 0.71 H new ATOM 0 HG23 VAL A 132 -2.441 4.953 7.735 1.00 0.71 H new ATOM 981 N ILE A 133 -5.485 4.269 8.727 1.00 0.23 N ATOM 982 CA ILE A 133 -6.111 3.264 9.565 1.00 0.26 C ATOM 983 C ILE A 133 -5.046 2.356 10.172 1.00 0.28 C ATOM 984 O ILE A 133 -5.010 2.134 11.384 1.00 0.38 O ATOM 985 CB ILE A 133 -7.106 2.411 8.756 1.00 0.31 C ATOM 986 CG1 ILE A 133 -8.040 3.300 7.922 1.00 0.34 C ATOM 987 CG2 ILE A 133 -7.909 1.522 9.687 1.00 0.38 C ATOM 988 CD1 ILE A 133 -8.914 4.229 8.741 1.00 0.35 C ATOM 0 H ILE A 133 -5.140 3.918 7.833 1.00 0.23 H new ATOM 0 HA ILE A 133 -6.655 3.777 10.358 1.00 0.26 H new ATOM 0 HB ILE A 133 -6.540 1.781 8.070 1.00 0.31 H new ATOM 0 HG12 ILE A 133 -7.438 3.897 7.237 1.00 0.34 H new ATOM 0 HG13 ILE A 133 -8.680 2.663 7.312 1.00 0.34 H new ATOM 0 HG21 ILE A 133 -8.609 0.923 9.104 1.00 0.38 H new ATOM 0 HG22 ILE A 133 -7.234 0.862 10.232 1.00 0.38 H new ATOM 0 HG23 ILE A 133 -8.462 2.141 10.394 1.00 0.38 H new ATOM 0 HD11 ILE A 133 -9.542 4.820 8.074 1.00 0.35 H new ATOM 0 HD12 ILE A 133 -9.545 3.641 9.407 1.00 0.35 H new ATOM 0 HD13 ILE A 133 -8.284 4.895 9.331 1.00 0.35 H new ATOM 1000 N GLU A 134 -4.173 1.854 9.312 1.00 0.25 N ATOM 1001 CA GLU A 134 -3.073 1.000 9.725 1.00 0.30 C ATOM 1002 C GLU A 134 -1.796 1.473 9.053 1.00 0.23 C ATOM 1003 O GLU A 134 -1.852 2.165 8.040 1.00 0.21 O ATOM 1004 CB GLU A 134 -3.334 -0.463 9.348 1.00 0.43 C ATOM 1005 CG GLU A 134 -4.500 -1.106 10.081 1.00 0.63 C ATOM 1006 CD GLU A 134 -4.587 -2.595 9.818 1.00 0.74 C ATOM 1007 OE1 GLU A 134 -5.630 -3.061 9.326 1.00 1.50 O ATOM 1008 OE2 GLU A 134 -3.596 -3.307 10.098 1.00 1.42 O ATOM 0 H GLU A 134 -4.208 2.028 8.308 1.00 0.25 H new ATOM 0 HA GLU A 134 -2.976 1.061 10.809 1.00 0.30 H new ATOM 0 HB2 GLU A 134 -3.520 -0.521 8.275 1.00 0.43 H new ATOM 0 HB3 GLU A 134 -2.432 -1.042 9.547 1.00 0.43 H new ATOM 0 HG2 GLU A 134 -4.394 -0.933 11.152 1.00 0.63 H new ATOM 0 HG3 GLU A 134 -5.430 -0.629 9.771 1.00 0.63 H new ATOM 1015 N LYS A 135 -0.656 1.109 9.614 1.00 0.28 N ATOM 1016 CA LYS A 135 0.628 1.488 9.048 1.00 0.25 C ATOM 1017 C LYS A 135 1.746 0.647 9.638 1.00 0.27 C ATOM 1018 O LYS A 135 1.526 -0.136 10.562 1.00 0.34 O ATOM 1019 CB LYS A 135 0.915 2.971 9.299 1.00 0.32 C ATOM 1020 CG LYS A 135 0.767 3.382 10.751 1.00 0.56 C ATOM 1021 CD LYS A 135 1.296 4.784 10.980 1.00 0.62 C ATOM 1022 CE LYS A 135 1.073 5.232 12.414 1.00 0.74 C ATOM 1023 NZ LYS A 135 -0.372 5.366 12.733 1.00 1.53 N ATOM 0 H LYS A 135 -0.593 0.549 10.464 1.00 0.28 H new ATOM 0 HA LYS A 135 0.582 1.312 7.973 1.00 0.25 H new ATOM 0 HB2 LYS A 135 1.929 3.197 8.968 1.00 0.32 H new ATOM 0 HB3 LYS A 135 0.239 3.571 8.690 1.00 0.32 H new ATOM 0 HG2 LYS A 135 -0.283 3.335 11.040 1.00 0.56 H new ATOM 0 HG3 LYS A 135 1.305 2.679 11.387 1.00 0.56 H new ATOM 0 HD2 LYS A 135 2.361 4.815 10.749 1.00 0.62 H new ATOM 0 HD3 LYS A 135 0.801 5.477 10.299 1.00 0.62 H new ATOM 0 HE2 LYS A 135 1.530 4.513 13.094 1.00 0.74 H new ATOM 0 HE3 LYS A 135 1.571 6.188 12.578 1.00 0.74 H new ATOM 0 HZ1 LYS A 135 -0.484 5.892 13.623 1.00 1.53 H new ATOM 0 HZ2 LYS A 135 -0.851 5.879 11.965 1.00 1.53 H new ATOM 0 HZ3 LYS A 135 -0.794 4.421 12.834 1.00 1.53 H new ATOM 1037 N GLY A 136 2.935 0.802 9.083 1.00 0.30 N ATOM 1038 CA GLY A 136 4.095 0.128 9.612 1.00 0.38 C ATOM 1039 C GLY A 136 5.189 0.021 8.581 1.00 0.34 C ATOM 1040 O GLY A 136 5.369 0.925 7.764 1.00 0.29 O ATOM 0 H GLY A 136 3.117 1.388 8.268 1.00 0.30 H new ATOM 0 HA2 GLY A 136 4.466 0.669 10.483 1.00 0.38 H new ATOM 0 HA3 GLY A 136 3.815 -0.869 9.951 1.00 0.38 H new ATOM 1044 N PHE A 137 5.903 -1.085 8.607 1.00 0.38 N ATOM 1045 CA PHE A 137 6.943 -1.346 7.634 1.00 0.32 C ATOM 1046 C PHE A 137 6.668 -2.676 6.940 1.00 0.33 C ATOM 1047 O PHE A 137 6.020 -3.551 7.519 1.00 0.46 O ATOM 1048 CB PHE A 137 8.327 -1.324 8.295 1.00 0.42 C ATOM 1049 CG PHE A 137 8.457 -2.215 9.501 1.00 1.07 C ATOM 1050 CD1 PHE A 137 8.207 -1.722 10.773 1.00 2.05 C ATOM 1051 CD2 PHE A 137 8.836 -3.540 9.364 1.00 1.81 C ATOM 1052 CE1 PHE A 137 8.331 -2.534 11.883 1.00 2.86 C ATOM 1053 CE2 PHE A 137 8.960 -4.356 10.471 1.00 2.60 C ATOM 1054 CZ PHE A 137 8.708 -3.853 11.732 1.00 2.93 C ATOM 0 H PHE A 137 5.780 -1.824 9.299 1.00 0.38 H new ATOM 0 HA PHE A 137 6.939 -0.558 6.881 1.00 0.32 H new ATOM 0 HB2 PHE A 137 9.073 -1.621 7.558 1.00 0.42 H new ATOM 0 HB3 PHE A 137 8.559 -0.300 8.589 1.00 0.42 H new ATOM 0 HD1 PHE A 137 7.912 -0.691 10.897 1.00 2.05 H new ATOM 0 HD2 PHE A 137 9.037 -3.939 8.381 1.00 1.81 H new ATOM 0 HE1 PHE A 137 8.133 -2.137 12.868 1.00 2.86 H new ATOM 0 HE2 PHE A 137 9.254 -5.388 10.350 1.00 2.60 H new ATOM 0 HZ PHE A 137 8.806 -4.490 12.598 1.00 2.93 H new ATOM 1064 N VAL A 138 7.132 -2.814 5.704 1.00 0.27 N ATOM 1065 CA VAL A 138 6.750 -3.948 4.861 1.00 0.41 C ATOM 1066 C VAL A 138 7.116 -5.298 5.488 1.00 0.70 C ATOM 1067 O VAL A 138 6.223 -6.052 5.873 1.00 1.41 O ATOM 1068 CB VAL A 138 7.368 -3.830 3.450 1.00 0.53 C ATOM 1069 CG1 VAL A 138 7.036 -5.048 2.607 1.00 0.76 C ATOM 1070 CG2 VAL A 138 6.875 -2.568 2.754 1.00 0.48 C ATOM 0 H VAL A 138 7.773 -2.157 5.260 1.00 0.27 H new ATOM 0 HA VAL A 138 5.664 -3.912 4.775 1.00 0.41 H new ATOM 0 HB VAL A 138 8.451 -3.772 3.564 1.00 0.53 H new ATOM 0 HG11 VAL A 138 7.483 -4.939 1.619 1.00 0.76 H new ATOM 0 HG12 VAL A 138 7.432 -5.942 3.088 1.00 0.76 H new ATOM 0 HG13 VAL A 138 5.954 -5.138 2.508 1.00 0.76 H new ATOM 0 HG21 VAL A 138 7.321 -2.502 1.762 1.00 0.48 H new ATOM 0 HG22 VAL A 138 5.789 -2.603 2.662 1.00 0.48 H new ATOM 0 HG23 VAL A 138 7.161 -1.694 3.339 1.00 0.48 H new ATOM 1080 N SER A 139 8.422 -5.564 5.599 1.00 0.32 N ATOM 1081 CA SER A 139 8.991 -6.778 6.231 1.00 0.51 C ATOM 1082 C SER A 139 8.587 -8.110 5.564 1.00 0.39 C ATOM 1083 O SER A 139 9.455 -8.922 5.245 1.00 1.13 O ATOM 1084 CB SER A 139 8.706 -6.826 7.746 1.00 1.03 C ATOM 1085 OG SER A 139 7.319 -6.780 8.048 1.00 1.68 O ATOM 0 H SER A 139 9.138 -4.930 5.245 1.00 0.32 H new ATOM 0 HA SER A 139 10.065 -6.681 6.071 1.00 0.51 H new ATOM 0 HB2 SER A 139 9.134 -7.738 8.163 1.00 1.03 H new ATOM 0 HB3 SER A 139 9.207 -5.988 8.232 1.00 1.03 H new ATOM 0 HG SER A 139 6.801 -6.853 7.219 1.00 1.68 H new ATOM 1091 N ASN A 140 7.292 -8.330 5.359 1.00 0.51 N ATOM 1092 CA ASN A 140 6.777 -9.627 4.910 1.00 0.34 C ATOM 1093 C ASN A 140 7.343 -10.032 3.548 1.00 0.27 C ATOM 1094 O ASN A 140 7.100 -9.375 2.534 1.00 0.37 O ATOM 1095 CB ASN A 140 5.246 -9.597 4.852 1.00 0.37 C ATOM 1096 CG ASN A 140 4.637 -10.945 4.506 1.00 0.38 C ATOM 1097 OD1 ASN A 140 3.589 -11.018 3.867 1.00 0.94 O ATOM 1098 ND2 ASN A 140 5.265 -12.024 4.948 1.00 0.88 N ATOM 0 H ASN A 140 6.571 -7.622 5.497 1.00 0.51 H new ATOM 0 HA ASN A 140 7.101 -10.373 5.636 1.00 0.34 H new ATOM 0 HB2 ASN A 140 4.858 -9.266 5.815 1.00 0.37 H new ATOM 0 HB3 ASN A 140 4.931 -8.862 4.112 1.00 0.37 H new ATOM 0 HD21 ASN A 140 4.881 -12.950 4.761 1.00 0.88 H new ATOM 0 HD22 ASN A 140 6.133 -11.929 5.475 1.00 0.88 H new ATOM 1105 N GLN A 141 8.086 -11.131 3.543 1.00 0.35 N ATOM 1106 CA GLN A 141 8.708 -11.657 2.337 1.00 0.32 C ATOM 1107 C GLN A 141 7.887 -12.830 1.800 1.00 0.30 C ATOM 1108 O GLN A 141 7.980 -13.942 2.319 1.00 0.36 O ATOM 1109 CB GLN A 141 10.131 -12.133 2.655 1.00 0.39 C ATOM 1110 CG GLN A 141 10.964 -12.488 1.431 1.00 0.39 C ATOM 1111 CD GLN A 141 11.660 -11.280 0.833 1.00 0.52 C ATOM 1112 OE1 GLN A 141 12.797 -10.971 1.188 1.00 0.69 O ATOM 1113 NE2 GLN A 141 10.989 -10.588 -0.072 1.00 0.63 N ATOM 0 H GLN A 141 8.274 -11.684 4.379 1.00 0.35 H new ATOM 0 HA GLN A 141 8.748 -10.870 1.584 1.00 0.32 H new ATOM 0 HB2 GLN A 141 10.645 -11.352 3.215 1.00 0.39 H new ATOM 0 HB3 GLN A 141 10.072 -13.006 3.305 1.00 0.39 H new ATOM 0 HG2 GLN A 141 11.710 -13.234 1.707 1.00 0.39 H new ATOM 0 HG3 GLN A 141 10.321 -12.943 0.677 1.00 0.39 H new ATOM 0 HE21 GLN A 141 10.048 -10.876 -0.340 1.00 0.63 H new ATOM 0 HE22 GLN A 141 11.412 -9.766 -0.502 1.00 0.63 H new ATOM 1122 N ILE A 142 7.076 -12.587 0.779 1.00 0.25 N ATOM 1123 CA ILE A 142 6.261 -13.652 0.194 1.00 0.27 C ATOM 1124 C ILE A 142 6.999 -14.347 -0.945 1.00 0.30 C ATOM 1125 O ILE A 142 6.596 -15.411 -1.414 1.00 0.37 O ATOM 1126 CB ILE A 142 4.896 -13.137 -0.312 1.00 0.27 C ATOM 1127 CG1 ILE A 142 5.070 -11.996 -1.322 1.00 0.24 C ATOM 1128 CG2 ILE A 142 4.048 -12.684 0.865 1.00 0.29 C ATOM 1129 CD1 ILE A 142 3.779 -11.589 -2.003 1.00 0.26 C ATOM 0 H ILE A 142 6.963 -11.673 0.340 1.00 0.25 H new ATOM 0 HA ILE A 142 6.075 -14.369 0.993 1.00 0.27 H new ATOM 0 HB ILE A 142 4.389 -13.955 -0.824 1.00 0.27 H new ATOM 0 HG12 ILE A 142 5.490 -11.130 -0.811 1.00 0.24 H new ATOM 0 HG13 ILE A 142 5.791 -12.300 -2.081 1.00 0.24 H new ATOM 0 HG21 ILE A 142 3.086 -12.322 0.502 1.00 0.29 H new ATOM 0 HG22 ILE A 142 3.888 -13.523 1.542 1.00 0.29 H new ATOM 0 HG23 ILE A 142 4.561 -11.882 1.396 1.00 0.29 H new ATOM 0 HD11 ILE A 142 3.977 -10.778 -2.703 1.00 0.26 H new ATOM 0 HD12 ILE A 142 3.368 -12.442 -2.543 1.00 0.26 H new ATOM 0 HD13 ILE A 142 3.062 -11.254 -1.253 1.00 0.26 H new ATOM 1141 N GLY A 143 8.078 -13.731 -1.382 1.00 0.28 N ATOM 1142 CA GLY A 143 8.938 -14.326 -2.381 1.00 0.34 C ATOM 1143 C GLY A 143 10.305 -13.704 -2.306 1.00 0.40 C ATOM 1144 O GLY A 143 10.440 -12.632 -1.731 1.00 0.53 O ATOM 0 H GLY A 143 8.381 -12.812 -1.058 1.00 0.28 H new ATOM 0 HA2 GLY A 143 9.008 -15.402 -2.221 1.00 0.34 H new ATOM 0 HA3 GLY A 143 8.514 -14.178 -3.374 1.00 0.34 H new ATOM 1148 N ASP A 144 11.315 -14.341 -2.883 1.00 0.48 N ATOM 1149 CA ASP A 144 12.692 -13.866 -2.733 1.00 0.56 C ATOM 1150 C ASP A 144 12.849 -12.436 -3.251 1.00 0.48 C ATOM 1151 O ASP A 144 13.694 -11.682 -2.770 1.00 0.56 O ATOM 1152 CB ASP A 144 13.683 -14.792 -3.450 1.00 0.70 C ATOM 1153 CG ASP A 144 13.782 -14.528 -4.941 1.00 1.63 C ATOM 1154 OD1 ASP A 144 14.604 -13.678 -5.343 1.00 2.49 O ATOM 1155 OD2 ASP A 144 13.047 -15.171 -5.716 1.00 2.30 O ATOM 0 H ASP A 144 11.213 -15.180 -3.454 1.00 0.48 H new ATOM 0 HA ASP A 144 12.917 -13.875 -1.667 1.00 0.56 H new ATOM 0 HB2 ASP A 144 14.669 -14.674 -3.001 1.00 0.70 H new ATOM 0 HB3 ASP A 144 13.382 -15.827 -3.291 1.00 0.70 H new ATOM 1160 N SER A 145 12.028 -12.064 -4.225 1.00 0.38 N ATOM 1161 CA SER A 145 12.056 -10.716 -4.771 1.00 0.35 C ATOM 1162 C SER A 145 10.679 -10.069 -4.680 1.00 0.31 C ATOM 1163 O SER A 145 10.347 -9.176 -5.461 1.00 0.36 O ATOM 1164 CB SER A 145 12.529 -10.746 -6.225 1.00 0.38 C ATOM 1165 OG SER A 145 13.822 -11.320 -6.328 1.00 1.08 O ATOM 0 H SER A 145 11.335 -12.678 -4.652 1.00 0.38 H new ATOM 0 HA SER A 145 12.755 -10.121 -4.183 1.00 0.35 H new ATOM 0 HB2 SER A 145 11.824 -11.318 -6.828 1.00 0.38 H new ATOM 0 HB3 SER A 145 12.544 -9.733 -6.627 1.00 0.38 H new ATOM 0 HG SER A 145 13.796 -12.245 -6.005 1.00 1.08 H new ATOM 1171 N LEU A 146 9.884 -10.502 -3.710 1.00 0.27 N ATOM 1172 CA LEU A 146 8.515 -10.040 -3.602 1.00 0.22 C ATOM 1173 C LEU A 146 8.128 -9.836 -2.138 1.00 0.21 C ATOM 1174 O LEU A 146 8.309 -10.727 -1.303 1.00 0.23 O ATOM 1175 CB LEU A 146 7.586 -11.056 -4.263 1.00 0.23 C ATOM 1176 CG LEU A 146 6.256 -10.506 -4.765 1.00 0.23 C ATOM 1177 CD1 LEU A 146 6.483 -9.498 -5.881 1.00 0.26 C ATOM 1178 CD2 LEU A 146 5.368 -11.639 -5.245 1.00 0.27 C ATOM 0 H LEU A 146 10.166 -11.169 -2.992 1.00 0.27 H new ATOM 0 HA LEU A 146 8.421 -9.080 -4.110 1.00 0.22 H new ATOM 0 HB2 LEU A 146 8.112 -11.508 -5.104 1.00 0.23 H new ATOM 0 HB3 LEU A 146 7.382 -11.853 -3.548 1.00 0.23 H new ATOM 0 HG LEU A 146 5.757 -9.997 -3.940 1.00 0.23 H new ATOM 0 HD11 LEU A 146 5.523 -9.116 -6.227 1.00 0.26 H new ATOM 0 HD12 LEU A 146 7.089 -8.672 -5.508 1.00 0.26 H new ATOM 0 HD13 LEU A 146 7.000 -9.982 -6.709 1.00 0.26 H new ATOM 0 HD21 LEU A 146 4.421 -11.233 -5.601 1.00 0.27 H new ATOM 0 HD22 LEU A 146 5.863 -12.170 -6.058 1.00 0.27 H new ATOM 0 HD23 LEU A 146 5.181 -12.328 -4.422 1.00 0.27 H new ATOM 1190 N TYR A 147 7.612 -8.658 -1.831 1.00 0.18 N ATOM 1191 CA TYR A 147 7.191 -8.328 -0.477 1.00 0.18 C ATOM 1192 C TYR A 147 5.689 -8.082 -0.421 1.00 0.16 C ATOM 1193 O TYR A 147 5.064 -7.791 -1.438 1.00 0.19 O ATOM 1194 CB TYR A 147 7.924 -7.087 0.029 1.00 0.19 C ATOM 1195 CG TYR A 147 9.341 -7.334 0.496 1.00 0.23 C ATOM 1196 CD1 TYR A 147 9.615 -7.597 1.833 1.00 1.21 C ATOM 1197 CD2 TYR A 147 10.404 -7.288 -0.393 1.00 1.10 C ATOM 1198 CE1 TYR A 147 10.906 -7.806 2.269 1.00 1.24 C ATOM 1199 CE2 TYR A 147 11.700 -7.499 0.036 1.00 1.10 C ATOM 1200 CZ TYR A 147 11.943 -7.756 1.368 1.00 0.36 C ATOM 1201 OH TYR A 147 13.230 -7.965 1.798 1.00 0.43 O ATOM 0 H TYR A 147 7.473 -7.907 -2.507 1.00 0.18 H new ATOM 0 HA TYR A 147 7.438 -9.177 0.161 1.00 0.18 H new ATOM 0 HB2 TYR A 147 7.943 -6.344 -0.768 1.00 0.19 H new ATOM 0 HB3 TYR A 147 7.355 -6.657 0.853 1.00 0.19 H new ATOM 0 HD1 TYR A 147 8.802 -7.638 2.543 1.00 1.21 H new ATOM 0 HD2 TYR A 147 10.216 -7.084 -1.437 1.00 1.10 H new ATOM 0 HE1 TYR A 147 11.101 -8.008 3.312 1.00 1.24 H new ATOM 0 HE2 TYR A 147 12.518 -7.463 -0.668 1.00 1.10 H new ATOM 0 HH TYR A 147 13.441 -8.921 1.747 1.00 0.43 H new ATOM 1211 N LYS A 148 5.121 -8.183 0.773 1.00 0.17 N ATOM 1212 CA LYS A 148 3.686 -8.005 0.957 1.00 0.18 C ATOM 1213 C LYS A 148 3.381 -7.181 2.206 1.00 0.19 C ATOM 1214 O LYS A 148 4.095 -7.257 3.205 1.00 0.28 O ATOM 1215 CB LYS A 148 3.001 -9.372 1.061 1.00 0.26 C ATOM 1216 CG LYS A 148 1.520 -9.307 1.409 1.00 0.34 C ATOM 1217 CD LYS A 148 0.949 -10.693 1.654 1.00 0.50 C ATOM 1218 CE LYS A 148 -0.509 -10.631 2.086 1.00 0.62 C ATOM 1219 NZ LYS A 148 -1.067 -11.983 2.357 1.00 0.84 N ATOM 0 H LYS A 148 5.633 -8.388 1.631 1.00 0.17 H new ATOM 0 HA LYS A 148 3.301 -7.465 0.092 1.00 0.18 H new ATOM 0 HB2 LYS A 148 3.116 -9.896 0.112 1.00 0.26 H new ATOM 0 HB3 LYS A 148 3.514 -9.966 1.818 1.00 0.26 H new ATOM 0 HG2 LYS A 148 1.380 -8.691 2.298 1.00 0.34 H new ATOM 0 HG3 LYS A 148 0.974 -8.825 0.598 1.00 0.34 H new ATOM 0 HD2 LYS A 148 1.034 -11.288 0.745 1.00 0.50 H new ATOM 0 HD3 LYS A 148 1.535 -11.198 2.422 1.00 0.50 H new ATOM 0 HE2 LYS A 148 -0.596 -10.016 2.982 1.00 0.62 H new ATOM 0 HE3 LYS A 148 -1.098 -10.145 1.308 1.00 0.62 H new ATOM 0 HZ1 LYS A 148 -2.062 -11.896 2.648 1.00 0.84 H new ATOM 0 HZ2 LYS A 148 -1.008 -12.562 1.495 1.00 0.84 H new ATOM 0 HZ3 LYS A 148 -0.522 -12.437 3.117 1.00 0.84 H new ATOM 1233 N ILE A 149 2.329 -6.379 2.124 1.00 0.15 N ATOM 1234 CA ILE A 149 1.790 -5.667 3.274 1.00 0.18 C ATOM 1235 C ILE A 149 0.275 -5.786 3.286 1.00 0.22 C ATOM 1236 O ILE A 149 -0.375 -5.511 2.282 1.00 0.35 O ATOM 1237 CB ILE A 149 2.178 -4.175 3.269 1.00 0.18 C ATOM 1238 CG1 ILE A 149 2.015 -3.573 1.868 1.00 0.19 C ATOM 1239 CG2 ILE A 149 3.597 -4.007 3.766 1.00 0.19 C ATOM 1240 CD1 ILE A 149 2.318 -2.093 1.797 1.00 0.20 C ATOM 0 H ILE A 149 1.824 -6.203 1.256 1.00 0.15 H new ATOM 0 HA ILE A 149 2.217 -6.123 4.167 1.00 0.18 H new ATOM 0 HB ILE A 149 1.508 -3.639 3.941 1.00 0.18 H new ATOM 0 HG12 ILE A 149 2.672 -4.102 1.178 1.00 0.19 H new ATOM 0 HG13 ILE A 149 0.993 -3.741 1.528 1.00 0.19 H new ATOM 0 HG21 ILE A 149 3.862 -2.950 3.759 1.00 0.19 H new ATOM 0 HG22 ILE A 149 3.675 -4.394 4.782 1.00 0.19 H new ATOM 0 HG23 ILE A 149 4.278 -4.556 3.116 1.00 0.19 H new ATOM 0 HD11 ILE A 149 2.180 -1.742 0.774 1.00 0.20 H new ATOM 0 HD12 ILE A 149 1.644 -1.551 2.461 1.00 0.20 H new ATOM 0 HD13 ILE A 149 3.349 -1.917 2.105 1.00 0.20 H new ATOM 1252 N GLU A 150 -0.287 -6.217 4.402 1.00 0.24 N ATOM 1253 CA GLU A 150 -1.726 -6.391 4.493 1.00 0.27 C ATOM 1254 C GLU A 150 -2.271 -5.773 5.771 1.00 0.24 C ATOM 1255 O GLU A 150 -1.530 -5.519 6.726 1.00 0.31 O ATOM 1256 CB GLU A 150 -2.107 -7.880 4.418 1.00 0.40 C ATOM 1257 CG GLU A 150 -1.776 -8.695 5.663 1.00 1.08 C ATOM 1258 CD GLU A 150 -0.289 -8.883 5.892 1.00 1.55 C ATOM 1259 OE1 GLU A 150 0.307 -9.779 5.257 1.00 2.03 O ATOM 1260 OE2 GLU A 150 0.287 -8.153 6.727 1.00 2.30 O ATOM 0 H GLU A 150 0.226 -6.451 5.252 1.00 0.24 H new ATOM 0 HA GLU A 150 -2.175 -5.876 3.643 1.00 0.27 H new ATOM 0 HB2 GLU A 150 -3.177 -7.956 4.227 1.00 0.40 H new ATOM 0 HB3 GLU A 150 -1.598 -8.327 3.564 1.00 0.40 H new ATOM 0 HG2 GLU A 150 -2.209 -8.203 6.534 1.00 1.08 H new ATOM 0 HG3 GLU A 150 -2.249 -9.674 5.582 1.00 1.08 H new ATOM 1267 N THR A 151 -3.567 -5.511 5.768 1.00 0.21 N ATOM 1268 CA THR A 151 -4.240 -4.983 6.933 1.00 0.23 C ATOM 1269 C THR A 151 -4.499 -6.109 7.926 1.00 0.24 C ATOM 1270 O THR A 151 -4.758 -7.250 7.538 1.00 0.27 O ATOM 1271 CB THR A 151 -5.565 -4.291 6.546 1.00 0.25 C ATOM 1272 OG1 THR A 151 -6.515 -5.245 6.055 1.00 0.25 O ATOM 1273 CG2 THR A 151 -5.317 -3.244 5.475 1.00 0.29 C ATOM 0 H THR A 151 -4.175 -5.658 4.962 1.00 0.21 H new ATOM 0 HA THR A 151 -3.598 -4.234 7.395 1.00 0.23 H new ATOM 0 HB THR A 151 -5.967 -3.815 7.440 1.00 0.25 H new ATOM 0 HG1 THR A 151 -7.234 -5.358 6.711 1.00 0.25 H new ATOM 0 HG21 THR A 151 -6.259 -2.763 5.211 1.00 0.29 H new ATOM 0 HG22 THR A 151 -4.621 -2.495 5.853 1.00 0.29 H new ATOM 0 HG23 THR A 151 -4.893 -3.721 4.591 1.00 0.29 H new ATOM 1281 N LYS A 152 -4.409 -5.789 9.203 1.00 0.31 N ATOM 1282 CA LYS A 152 -4.494 -6.791 10.255 1.00 0.38 C ATOM 1283 C LYS A 152 -5.944 -7.187 10.516 1.00 0.39 C ATOM 1284 O LYS A 152 -6.217 -8.168 11.208 1.00 0.51 O ATOM 1285 CB LYS A 152 -3.842 -6.245 11.530 1.00 0.48 C ATOM 1286 CG LYS A 152 -3.718 -7.257 12.660 1.00 0.80 C ATOM 1287 CD LYS A 152 -2.916 -6.694 13.823 1.00 1.02 C ATOM 1288 CE LYS A 152 -3.575 -5.458 14.419 1.00 1.99 C ATOM 1289 NZ LYS A 152 -2.765 -4.870 15.519 1.00 2.42 N ATOM 0 H LYS A 152 -4.276 -4.836 9.541 1.00 0.31 H new ATOM 0 HA LYS A 152 -3.962 -7.687 9.935 1.00 0.38 H new ATOM 0 HB2 LYS A 152 -2.848 -5.872 11.283 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -4.423 -5.394 11.884 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -4.712 -7.542 13.006 1.00 0.80 H new ATOM 0 HG3 LYS A 152 -3.237 -8.162 12.289 1.00 0.80 H new ATOM 0 HD2 LYS A 152 -2.810 -7.457 14.594 1.00 1.02 H new ATOM 0 HD3 LYS A 152 -1.911 -6.442 13.483 1.00 1.02 H new ATOM 0 HE2 LYS A 152 -3.720 -4.712 13.637 1.00 1.99 H new ATOM 0 HE3 LYS A 152 -4.563 -5.721 14.797 1.00 1.99 H new ATOM 0 HZ1 LYS A 152 -3.250 -4.031 15.897 1.00 2.42 H new ATOM 0 HZ2 LYS A 152 -2.647 -5.572 16.277 1.00 2.42 H new ATOM 0 HZ3 LYS A 152 -1.831 -4.595 15.154 1.00 2.42 H new ATOM 1303 N LYS A 153 -6.873 -6.429 9.954 1.00 0.37 N ATOM 1304 CA LYS A 153 -8.286 -6.678 10.185 1.00 0.43 C ATOM 1305 C LYS A 153 -9.115 -6.394 8.937 1.00 0.40 C ATOM 1306 O LYS A 153 -8.698 -5.643 8.050 1.00 0.40 O ATOM 1307 CB LYS A 153 -8.777 -5.801 11.341 1.00 0.51 C ATOM 1308 CG LYS A 153 -8.584 -4.313 11.093 1.00 0.57 C ATOM 1309 CD LYS A 153 -9.069 -3.477 12.262 1.00 0.66 C ATOM 1310 CE LYS A 153 -8.899 -1.995 11.982 1.00 0.69 C ATOM 1311 NZ LYS A 153 -9.378 -1.156 13.111 1.00 1.29 N ATOM 0 H LYS A 153 -6.675 -5.641 9.338 1.00 0.37 H new ATOM 0 HA LYS A 153 -8.408 -7.731 10.437 1.00 0.43 H new ATOM 0 HB2 LYS A 153 -9.835 -5.999 11.514 1.00 0.51 H new ATOM 0 HB3 LYS A 153 -8.247 -6.082 12.251 1.00 0.51 H new ATOM 0 HG2 LYS A 153 -7.528 -4.109 10.914 1.00 0.57 H new ATOM 0 HG3 LYS A 153 -9.122 -4.023 10.191 1.00 0.57 H new ATOM 0 HD2 LYS A 153 -10.119 -3.695 12.458 1.00 0.66 H new ATOM 0 HD3 LYS A 153 -8.514 -3.746 13.161 1.00 0.66 H new ATOM 0 HE2 LYS A 153 -7.847 -1.780 11.792 1.00 0.69 H new ATOM 0 HE3 LYS A 153 -9.447 -1.732 11.077 1.00 0.69 H new ATOM 0 HZ1 LYS A 153 -9.244 -0.151 12.878 1.00 1.29 H new ATOM 0 HZ2 LYS A 153 -10.388 -1.341 13.277 1.00 1.29 H new ATOM 0 HZ3 LYS A 153 -8.838 -1.388 13.969 1.00 1.29 H new ATOM 1325 N LYS A 154 -10.283 -7.021 8.873 1.00 0.43 N ATOM 1326 CA LYS A 154 -11.268 -6.721 7.848 1.00 0.44 C ATOM 1327 C LYS A 154 -12.102 -5.536 8.320 1.00 0.53 C ATOM 1328 O LYS A 154 -12.560 -5.519 9.464 1.00 0.67 O ATOM 1329 CB LYS A 154 -12.175 -7.929 7.601 1.00 0.44 C ATOM 1330 CG LYS A 154 -11.434 -9.199 7.211 1.00 0.47 C ATOM 1331 CD LYS A 154 -12.399 -10.354 7.000 1.00 0.54 C ATOM 1332 CE LYS A 154 -11.691 -11.583 6.456 1.00 0.66 C ATOM 1333 NZ LYS A 154 -12.623 -12.723 6.256 1.00 1.41 N ATOM 0 H LYS A 154 -10.571 -7.748 9.528 1.00 0.43 H new ATOM 0 HA LYS A 154 -10.762 -6.482 6.913 1.00 0.44 H new ATOM 0 HB2 LYS A 154 -12.755 -8.123 8.503 1.00 0.44 H new ATOM 0 HB3 LYS A 154 -12.885 -7.680 6.813 1.00 0.44 H new ATOM 0 HG2 LYS A 154 -10.865 -9.025 6.298 1.00 0.47 H new ATOM 0 HG3 LYS A 154 -10.716 -9.458 7.989 1.00 0.47 H new ATOM 0 HD2 LYS A 154 -12.884 -10.601 7.945 1.00 0.54 H new ATOM 0 HD3 LYS A 154 -13.185 -10.050 6.308 1.00 0.54 H new ATOM 0 HE2 LYS A 154 -11.213 -11.336 5.508 1.00 0.66 H new ATOM 0 HE3 LYS A 154 -10.899 -11.879 7.144 1.00 0.66 H new ATOM 0 HZ1 LYS A 154 -12.098 -13.540 5.884 1.00 1.41 H new ATOM 0 HZ2 LYS A 154 -13.060 -12.977 7.165 1.00 1.41 H new ATOM 0 HZ3 LYS A 154 -13.364 -12.451 5.579 1.00 1.41 H new ATOM 1347 N MET A 155 -12.299 -4.549 7.464 1.00 0.61 N ATOM 1348 CA MET A 155 -12.925 -3.306 7.893 1.00 0.76 C ATOM 1349 C MET A 155 -14.212 -3.009 7.140 1.00 0.62 C ATOM 1350 O MET A 155 -14.630 -3.777 6.269 1.00 0.57 O ATOM 1351 CB MET A 155 -11.941 -2.151 7.736 1.00 1.01 C ATOM 1352 CG MET A 155 -10.865 -2.142 8.806 1.00 1.22 C ATOM 1353 SD MET A 155 -9.483 -1.068 8.396 1.00 0.95 S ATOM 1354 CE MET A 155 -8.699 -2.020 7.097 1.00 0.80 C ATOM 0 H MET A 155 -12.039 -4.580 6.478 1.00 0.61 H new ATOM 0 HA MET A 155 -13.194 -3.422 8.943 1.00 0.76 H new ATOM 0 HB2 MET A 155 -11.470 -2.212 6.755 1.00 1.01 H new ATOM 0 HB3 MET A 155 -12.487 -1.208 7.769 1.00 1.01 H new ATOM 0 HG2 MET A 155 -11.302 -1.819 9.751 1.00 1.22 H new ATOM 0 HG3 MET A 155 -10.498 -3.158 8.954 1.00 1.22 H new ATOM 0 HE1 MET A 155 -7.617 -1.979 7.218 1.00 0.80 H new ATOM 0 HE2 MET A 155 -9.031 -3.057 7.154 1.00 0.80 H new ATOM 0 HE3 MET A 155 -8.971 -1.605 6.127 1.00 0.80 H new ATOM 1364 N LYS A 156 -14.835 -1.889 7.494 1.00 0.65 N ATOM 1365 CA LYS A 156 -16.088 -1.471 6.885 1.00 0.59 C ATOM 1366 C LYS A 156 -15.880 -1.091 5.421 1.00 0.44 C ATOM 1367 O LYS A 156 -14.751 -0.823 4.996 1.00 0.42 O ATOM 1368 CB LYS A 156 -16.681 -0.275 7.647 1.00 0.72 C ATOM 1369 CG LYS A 156 -15.908 1.024 7.451 1.00 1.28 C ATOM 1370 CD LYS A 156 -16.632 2.215 8.063 1.00 1.79 C ATOM 1371 CE LYS A 156 -17.940 2.521 7.342 1.00 2.54 C ATOM 1372 NZ LYS A 156 -17.720 2.980 5.943 1.00 3.40 N ATOM 0 H LYS A 156 -14.485 -1.250 8.208 1.00 0.65 H new ATOM 0 HA LYS A 156 -16.782 -2.310 6.935 1.00 0.59 H new ATOM 0 HB2 LYS A 156 -17.712 -0.126 7.325 1.00 0.72 H new ATOM 0 HB3 LYS A 156 -16.711 -0.512 8.710 1.00 0.72 H new ATOM 0 HG2 LYS A 156 -14.920 0.930 7.901 1.00 1.28 H new ATOM 0 HG3 LYS A 156 -15.757 1.199 6.386 1.00 1.28 H new ATOM 0 HD2 LYS A 156 -16.836 2.014 9.115 1.00 1.79 H new ATOM 0 HD3 LYS A 156 -15.984 3.091 8.026 1.00 1.79 H new ATOM 0 HE2 LYS A 156 -18.566 1.629 7.335 1.00 2.54 H new ATOM 0 HE3 LYS A 156 -18.485 3.288 7.892 1.00 2.54 H new ATOM 0 HZ1 LYS A 156 -18.630 3.256 5.521 1.00 3.40 H new ATOM 0 HZ2 LYS A 156 -17.076 3.797 5.943 1.00 3.40 H new ATOM 0 HZ3 LYS A 156 -17.301 2.208 5.386 1.00 3.40 H new ATOM 1386 N PRO A 157 -16.967 -1.074 4.631 1.00 0.46 N ATOM 1387 CA PRO A 157 -16.937 -0.628 3.236 1.00 0.41 C ATOM 1388 C PRO A 157 -16.314 0.758 3.064 1.00 0.37 C ATOM 1389 O PRO A 157 -16.423 1.620 3.944 1.00 0.46 O ATOM 1390 CB PRO A 157 -18.420 -0.582 2.832 1.00 0.52 C ATOM 1391 CG PRO A 157 -19.188 -0.728 4.103 1.00 0.63 C ATOM 1392 CD PRO A 157 -18.310 -1.523 5.017 1.00 0.63 C ATOM 0 HA PRO A 157 -16.327 -1.295 2.627 1.00 0.41 H new ATOM 0 HB2 PRO A 157 -18.661 0.357 2.334 1.00 0.52 H new ATOM 0 HB3 PRO A 157 -18.661 -1.384 2.134 1.00 0.52 H new ATOM 0 HG2 PRO A 157 -19.422 0.246 4.533 1.00 0.63 H new ATOM 0 HG3 PRO A 157 -20.137 -1.236 3.931 1.00 0.63 H new ATOM 0 HD2 PRO A 157 -18.522 -1.316 6.066 1.00 0.63 H new ATOM 0 HD3 PRO A 157 -18.437 -2.596 4.872 1.00 0.63 H new ATOM 1400 N GLY A 158 -15.672 0.964 1.922 1.00 0.32 N ATOM 1401 CA GLY A 158 -15.068 2.240 1.617 1.00 0.33 C ATOM 1402 C GLY A 158 -13.960 2.106 0.595 1.00 0.27 C ATOM 1403 O GLY A 158 -13.711 1.013 0.086 1.00 0.27 O ATOM 0 H GLY A 158 -15.560 0.258 1.194 1.00 0.32 H new ATOM 0 HA2 GLY A 158 -15.830 2.922 1.240 1.00 0.33 H new ATOM 0 HA3 GLY A 158 -14.669 2.681 2.530 1.00 0.33 H new ATOM 1407 N ILE A 159 -13.300 3.211 0.292 1.00 0.29 N ATOM 1408 CA ILE A 159 -12.185 3.204 -0.638 1.00 0.26 C ATOM 1409 C ILE A 159 -10.882 3.237 0.140 1.00 0.21 C ATOM 1410 O ILE A 159 -10.707 4.069 1.028 1.00 0.24 O ATOM 1411 CB ILE A 159 -12.237 4.412 -1.596 1.00 0.30 C ATOM 1412 CG1 ILE A 159 -13.601 4.476 -2.291 1.00 0.40 C ATOM 1413 CG2 ILE A 159 -11.114 4.330 -2.621 1.00 0.29 C ATOM 1414 CD1 ILE A 159 -13.769 5.669 -3.205 1.00 0.44 C ATOM 0 H ILE A 159 -13.519 4.129 0.679 1.00 0.29 H new ATOM 0 HA ILE A 159 -12.249 2.295 -1.236 1.00 0.26 H new ATOM 0 HB ILE A 159 -12.100 5.324 -1.016 1.00 0.30 H new ATOM 0 HG12 ILE A 159 -13.746 3.564 -2.870 1.00 0.40 H new ATOM 0 HG13 ILE A 159 -14.383 4.499 -1.532 1.00 0.40 H new ATOM 0 HG21 ILE A 159 -11.167 5.190 -3.288 1.00 0.29 H new ATOM 0 HG22 ILE A 159 -10.152 4.327 -2.108 1.00 0.29 H new ATOM 0 HG23 ILE A 159 -11.218 3.414 -3.202 1.00 0.29 H new ATOM 0 HD11 ILE A 159 -14.760 5.643 -3.659 1.00 0.44 H new ATOM 0 HD12 ILE A 159 -13.658 6.587 -2.629 1.00 0.44 H new ATOM 0 HD13 ILE A 159 -13.010 5.638 -3.987 1.00 0.44 H new ATOM 1426 N TYR A 160 -9.983 2.323 -0.167 1.00 0.18 N ATOM 1427 CA TYR A 160 -8.727 2.241 0.555 1.00 0.17 C ATOM 1428 C TYR A 160 -7.559 2.162 -0.412 1.00 0.16 C ATOM 1429 O TYR A 160 -7.709 1.711 -1.546 1.00 0.19 O ATOM 1430 CB TYR A 160 -8.713 1.016 1.477 1.00 0.21 C ATOM 1431 CG TYR A 160 -9.792 1.019 2.543 1.00 0.23 C ATOM 1432 CD1 TYR A 160 -9.530 1.480 3.829 1.00 1.20 C ATOM 1433 CD2 TYR A 160 -11.074 0.553 2.266 1.00 1.24 C ATOM 1434 CE1 TYR A 160 -10.513 1.476 4.802 1.00 1.23 C ATOM 1435 CE2 TYR A 160 -12.059 0.550 3.232 1.00 1.24 C ATOM 1436 CZ TYR A 160 -11.775 1.010 4.498 1.00 0.35 C ATOM 1437 OH TYR A 160 -12.758 1.007 5.461 1.00 0.43 O ATOM 0 H TYR A 160 -10.097 1.630 -0.907 1.00 0.18 H new ATOM 0 HA TYR A 160 -8.628 3.142 1.160 1.00 0.17 H new ATOM 0 HB2 TYR A 160 -8.823 0.118 0.869 1.00 0.21 H new ATOM 0 HB3 TYR A 160 -7.740 0.954 1.963 1.00 0.21 H new ATOM 0 HD1 TYR A 160 -8.544 1.847 4.071 1.00 1.20 H new ATOM 0 HD2 TYR A 160 -11.302 0.187 1.276 1.00 1.24 H new ATOM 0 HE1 TYR A 160 -10.293 1.836 5.796 1.00 1.23 H new ATOM 0 HE2 TYR A 160 -13.049 0.188 2.996 1.00 1.24 H new ATOM 0 HH TYR A 160 -13.381 0.270 5.290 1.00 0.43 H new ATOM 1447 N ALA A 161 -6.402 2.608 0.044 1.00 0.14 N ATOM 1448 CA ALA A 161 -5.181 2.527 -0.735 1.00 0.14 C ATOM 1449 C ALA A 161 -3.975 2.525 0.190 1.00 0.14 C ATOM 1450 O ALA A 161 -4.042 3.033 1.311 1.00 0.14 O ATOM 1451 CB ALA A 161 -5.093 3.686 -1.717 1.00 0.14 C ATOM 0 H ALA A 161 -6.283 3.035 0.963 1.00 0.14 H new ATOM 0 HA ALA A 161 -5.192 1.598 -1.305 1.00 0.14 H new ATOM 0 HB1 ALA A 161 -4.170 3.607 -2.292 1.00 0.14 H new ATOM 0 HB2 ALA A 161 -5.946 3.654 -2.395 1.00 0.14 H new ATOM 0 HB3 ALA A 161 -5.100 4.628 -1.169 1.00 0.14 H new ATOM 1457 N PHE A 162 -2.883 1.946 -0.275 1.00 0.14 N ATOM 1458 CA PHE A 162 -1.659 1.898 0.508 1.00 0.15 C ATOM 1459 C PHE A 162 -0.707 2.994 0.065 1.00 0.15 C ATOM 1460 O PHE A 162 -0.414 3.132 -1.123 1.00 0.15 O ATOM 1461 CB PHE A 162 -0.971 0.535 0.378 1.00 0.17 C ATOM 1462 CG PHE A 162 -1.678 -0.578 1.100 1.00 0.18 C ATOM 1463 CD1 PHE A 162 -1.376 -0.860 2.424 1.00 1.13 C ATOM 1464 CD2 PHE A 162 -2.635 -1.348 0.460 1.00 1.15 C ATOM 1465 CE1 PHE A 162 -2.013 -1.886 3.092 1.00 1.13 C ATOM 1466 CE2 PHE A 162 -3.277 -2.374 1.125 1.00 1.16 C ATOM 1467 CZ PHE A 162 -2.964 -2.644 2.443 1.00 0.24 C ATOM 0 H PHE A 162 -2.817 1.502 -1.191 1.00 0.14 H new ATOM 0 HA PHE A 162 -1.927 2.052 1.553 1.00 0.15 H new ATOM 0 HB2 PHE A 162 -0.894 0.278 -0.678 1.00 0.17 H new ATOM 0 HB3 PHE A 162 0.046 0.615 0.762 1.00 0.17 H new ATOM 0 HD1 PHE A 162 -0.633 -0.269 2.939 1.00 1.13 H new ATOM 0 HD2 PHE A 162 -2.882 -1.144 -0.571 1.00 1.15 H new ATOM 0 HE1 PHE A 162 -1.767 -2.095 4.123 1.00 1.13 H new ATOM 0 HE2 PHE A 162 -4.023 -2.965 0.615 1.00 1.16 H new ATOM 0 HZ PHE A 162 -3.463 -3.447 2.964 1.00 0.24 H new ATOM 1477 N LYS A 163 -0.244 3.777 1.023 1.00 0.16 N ATOM 1478 CA LYS A 163 0.697 4.849 0.751 1.00 0.18 C ATOM 1479 C LYS A 163 2.056 4.497 1.326 1.00 0.20 C ATOM 1480 O LYS A 163 2.267 4.594 2.536 1.00 0.23 O ATOM 1481 CB LYS A 163 0.214 6.168 1.367 1.00 0.23 C ATOM 1482 CG LYS A 163 1.131 7.354 1.070 1.00 0.31 C ATOM 1483 CD LYS A 163 0.717 8.590 1.859 1.00 0.45 C ATOM 1484 CE LYS A 163 1.714 9.729 1.695 1.00 0.74 C ATOM 1485 NZ LYS A 163 1.665 10.331 0.336 1.00 1.28 N ATOM 0 H LYS A 163 -0.507 3.689 2.005 1.00 0.16 H new ATOM 0 HA LYS A 163 0.772 4.972 -0.329 1.00 0.18 H new ATOM 0 HB2 LYS A 163 -0.785 6.390 0.993 1.00 0.23 H new ATOM 0 HB3 LYS A 163 0.130 6.046 2.447 1.00 0.23 H new ATOM 0 HG2 LYS A 163 2.160 7.091 1.317 1.00 0.31 H new ATOM 0 HG3 LYS A 163 1.106 7.577 0.003 1.00 0.31 H new ATOM 0 HD2 LYS A 163 -0.268 8.919 1.528 1.00 0.45 H new ATOM 0 HD3 LYS A 163 0.629 8.334 2.915 1.00 0.45 H new ATOM 0 HE2 LYS A 163 1.508 10.499 2.439 1.00 0.74 H new ATOM 0 HE3 LYS A 163 2.720 9.359 1.890 1.00 0.74 H new ATOM 0 HZ1 LYS A 163 2.504 10.928 0.190 1.00 1.28 H new ATOM 0 HZ2 LYS A 163 1.650 9.575 -0.378 1.00 1.28 H new ATOM 0 HZ3 LYS A 163 0.807 10.911 0.244 1.00 1.28 H new ATOM 1499 N VAL A 164 2.966 4.066 0.474 1.00 0.22 N ATOM 1500 CA VAL A 164 4.325 3.815 0.908 1.00 0.26 C ATOM 1501 C VAL A 164 5.179 5.024 0.552 1.00 0.33 C ATOM 1502 O VAL A 164 5.068 5.564 -0.548 1.00 0.34 O ATOM 1503 CB VAL A 164 4.914 2.512 0.292 1.00 0.28 C ATOM 1504 CG1 VAL A 164 3.941 1.354 0.456 1.00 0.27 C ATOM 1505 CG2 VAL A 164 5.286 2.686 -1.173 1.00 0.29 C ATOM 0 H VAL A 164 2.791 3.884 -0.514 1.00 0.22 H new ATOM 0 HA VAL A 164 4.324 3.663 1.987 1.00 0.26 H new ATOM 0 HB VAL A 164 5.831 2.287 0.837 1.00 0.28 H new ATOM 0 HG11 VAL A 164 4.371 0.453 0.019 1.00 0.27 H new ATOM 0 HG12 VAL A 164 3.749 1.187 1.516 1.00 0.27 H new ATOM 0 HG13 VAL A 164 3.005 1.591 -0.049 1.00 0.27 H new ATOM 0 HG21 VAL A 164 5.692 1.751 -1.559 1.00 0.29 H new ATOM 0 HG22 VAL A 164 4.398 2.959 -1.744 1.00 0.29 H new ATOM 0 HG23 VAL A 164 6.034 3.473 -1.267 1.00 0.29 H new ATOM 1515 N TYR A 165 5.982 5.496 1.487 1.00 0.45 N ATOM 1516 CA TYR A 165 6.802 6.665 1.225 1.00 0.57 C ATOM 1517 C TYR A 165 8.248 6.429 1.621 1.00 0.70 C ATOM 1518 O TYR A 165 8.815 7.158 2.438 1.00 1.67 O ATOM 1519 CB TYR A 165 6.226 7.932 1.885 1.00 0.62 C ATOM 1520 CG TYR A 165 5.801 7.795 3.337 1.00 0.63 C ATOM 1521 CD1 TYR A 165 6.696 8.034 4.373 1.00 1.30 C ATOM 1522 CD2 TYR A 165 4.491 7.463 3.669 1.00 1.38 C ATOM 1523 CE1 TYR A 165 6.300 7.945 5.695 1.00 1.31 C ATOM 1524 CE2 TYR A 165 4.091 7.366 4.990 1.00 1.45 C ATOM 1525 CZ TYR A 165 4.999 7.608 5.997 1.00 0.79 C ATOM 1526 OH TYR A 165 4.599 7.529 7.314 1.00 0.93 O ATOM 0 H TYR A 165 6.084 5.097 2.420 1.00 0.45 H new ATOM 0 HA TYR A 165 6.785 6.836 0.149 1.00 0.57 H new ATOM 0 HB2 TYR A 165 6.973 8.723 1.819 1.00 0.62 H new ATOM 0 HB3 TYR A 165 5.363 8.259 1.304 1.00 0.62 H new ATOM 0 HD1 TYR A 165 7.718 8.294 4.142 1.00 1.30 H new ATOM 0 HD2 TYR A 165 3.775 7.278 2.882 1.00 1.38 H new ATOM 0 HE1 TYR A 165 7.008 8.139 6.487 1.00 1.31 H new ATOM 0 HE2 TYR A 165 3.072 7.102 5.230 1.00 1.45 H new ATOM 0 HH TYR A 165 3.645 7.742 7.379 1.00 0.93 H new ATOM 1536 N LYS A 166 8.832 5.392 1.017 1.00 0.48 N ATOM 1537 CA LYS A 166 10.250 5.088 1.168 1.00 0.49 C ATOM 1538 C LYS A 166 10.556 4.568 2.580 1.00 0.46 C ATOM 1539 O LYS A 166 9.666 4.537 3.435 1.00 0.55 O ATOM 1540 CB LYS A 166 11.081 6.338 0.810 1.00 0.57 C ATOM 1541 CG LYS A 166 11.014 6.705 -0.670 1.00 0.71 C ATOM 1542 CD LYS A 166 11.676 5.651 -1.546 1.00 0.94 C ATOM 1543 CE LYS A 166 13.195 5.761 -1.518 1.00 1.35 C ATOM 1544 NZ LYS A 166 13.681 6.941 -2.284 1.00 1.53 N ATOM 0 H LYS A 166 8.332 4.742 0.410 1.00 0.48 H new ATOM 0 HA LYS A 166 10.526 4.288 0.481 1.00 0.49 H new ATOM 0 HB2 LYS A 166 10.728 7.182 1.403 1.00 0.57 H new ATOM 0 HB3 LYS A 166 12.121 6.166 1.088 1.00 0.57 H new ATOM 0 HG2 LYS A 166 9.972 6.823 -0.968 1.00 0.71 H new ATOM 0 HG3 LYS A 166 11.502 7.667 -0.828 1.00 0.71 H new ATOM 0 HD2 LYS A 166 11.378 4.659 -1.208 1.00 0.94 H new ATOM 0 HD3 LYS A 166 11.323 5.758 -2.572 1.00 0.94 H new ATOM 0 HE2 LYS A 166 13.535 5.834 -0.485 1.00 1.35 H new ATOM 0 HE3 LYS A 166 13.632 4.853 -1.934 1.00 1.35 H new ATOM 0 HZ1 LYS A 166 14.419 6.641 -2.953 1.00 1.53 H new ATOM 0 HZ2 LYS A 166 12.889 7.364 -2.809 1.00 1.53 H new ATOM 0 HZ3 LYS A 166 14.075 7.644 -1.626 1.00 1.53 H new ATOM 1558 N PRO A 167 11.790 4.081 2.831 1.00 0.44 N ATOM 1559 CA PRO A 167 12.193 3.603 4.162 1.00 0.47 C ATOM 1560 C PRO A 167 11.891 4.598 5.278 1.00 0.47 C ATOM 1561 O PRO A 167 12.085 5.806 5.128 1.00 0.50 O ATOM 1562 CB PRO A 167 13.699 3.406 4.010 1.00 0.58 C ATOM 1563 CG PRO A 167 13.862 3.042 2.580 1.00 0.60 C ATOM 1564 CD PRO A 167 12.886 3.910 1.846 1.00 0.49 C ATOM 0 HA PRO A 167 11.648 2.704 4.451 1.00 0.47 H new ATOM 0 HB2 PRO A 167 14.249 4.314 4.258 1.00 0.58 H new ATOM 0 HB3 PRO A 167 14.069 2.620 4.668 1.00 0.58 H new ATOM 0 HG2 PRO A 167 14.882 3.221 2.241 1.00 0.60 H new ATOM 0 HG3 PRO A 167 13.652 1.985 2.415 1.00 0.60 H new ATOM 0 HD2 PRO A 167 13.328 4.865 1.563 1.00 0.49 H new ATOM 0 HD3 PRO A 167 12.535 3.437 0.929 1.00 0.49 H new ATOM 1572 N ALA A 168 11.400 4.071 6.395 1.00 0.53 N ATOM 1573 CA ALA A 168 11.078 4.887 7.555 1.00 0.64 C ATOM 1574 C ALA A 168 12.313 5.636 8.043 1.00 0.71 C ATOM 1575 O ALA A 168 13.323 5.020 8.391 1.00 0.76 O ATOM 1576 CB ALA A 168 10.512 4.021 8.670 1.00 0.72 C ATOM 0 H ALA A 168 11.216 3.075 6.519 1.00 0.53 H new ATOM 0 HA ALA A 168 10.324 5.618 7.263 1.00 0.64 H new ATOM 0 HB1 ALA A 168 10.276 4.646 9.532 1.00 0.72 H new ATOM 0 HB2 ALA A 168 9.606 3.526 8.322 1.00 0.72 H new ATOM 0 HB3 ALA A 168 11.248 3.270 8.957 1.00 0.72 H new ATOM 1582 N GLY A 169 12.236 6.960 8.060 1.00 0.82 N ATOM 1583 CA GLY A 169 13.378 7.766 8.444 1.00 0.95 C ATOM 1584 C GLY A 169 13.938 8.552 7.277 1.00 0.96 C ATOM 1585 O GLY A 169 14.671 9.526 7.468 1.00 1.14 O ATOM 0 H GLY A 169 11.401 7.491 7.814 1.00 0.82 H new ATOM 0 HA2 GLY A 169 13.085 8.454 9.237 1.00 0.95 H new ATOM 0 HA3 GLY A 169 14.156 7.121 8.853 1.00 0.95 H new ATOM 1589 N TYR A 170 13.605 8.121 6.066 1.00 0.80 N ATOM 1590 CA TYR A 170 14.014 8.822 4.855 1.00 0.82 C ATOM 1591 C TYR A 170 13.321 10.181 4.789 1.00 0.86 C ATOM 1592 O TYR A 170 12.094 10.252 4.876 1.00 0.89 O ATOM 1593 CB TYR A 170 13.650 7.980 3.626 1.00 0.83 C ATOM 1594 CG TYR A 170 14.171 8.524 2.307 1.00 0.91 C ATOM 1595 CD1 TYR A 170 15.393 8.103 1.797 1.00 1.15 C ATOM 1596 CD2 TYR A 170 13.437 9.443 1.563 1.00 1.74 C ATOM 1597 CE1 TYR A 170 15.865 8.579 0.589 1.00 1.21 C ATOM 1598 CE2 TYR A 170 13.909 9.923 0.355 1.00 1.82 C ATOM 1599 CZ TYR A 170 15.121 9.486 -0.126 1.00 1.11 C ATOM 1600 OH TYR A 170 15.588 9.946 -1.336 1.00 1.24 O ATOM 0 H TYR A 170 13.049 7.283 5.896 1.00 0.80 H new ATOM 0 HA TYR A 170 15.093 8.977 4.870 1.00 0.82 H new ATOM 0 HB2 TYR A 170 14.038 6.971 3.766 1.00 0.83 H new ATOM 0 HB3 TYR A 170 12.565 7.899 3.567 1.00 0.83 H new ATOM 0 HD1 TYR A 170 15.984 7.391 2.355 1.00 1.15 H new ATOM 0 HD2 TYR A 170 12.483 9.787 1.935 1.00 1.74 H new ATOM 0 HE1 TYR A 170 16.816 8.239 0.208 1.00 1.21 H new ATOM 0 HE2 TYR A 170 13.328 10.638 -0.208 1.00 1.82 H new ATOM 0 HH TYR A 170 14.945 10.580 -1.715 1.00 1.24 H new ATOM 1666 N THR A 176 8.157 11.381 -2.323 1.00 0.64 N ATOM 1667 CA THR A 176 8.708 10.158 -1.772 1.00 0.90 C ATOM 1668 C THR A 176 7.661 9.052 -1.709 1.00 0.80 C ATOM 1669 O THR A 176 7.939 7.944 -1.256 1.00 1.05 O ATOM 1670 CB THR A 176 9.241 10.427 -0.355 1.00 1.30 C ATOM 1671 OG1 THR A 176 8.428 11.430 0.282 1.00 1.49 O ATOM 1672 CG2 THR A 176 10.686 10.891 -0.391 1.00 1.76 C ATOM 0 HA THR A 176 9.516 9.830 -2.426 1.00 0.90 H new ATOM 0 HB THR A 176 9.195 9.496 0.211 1.00 1.30 H new ATOM 0 HG1 THR A 176 7.977 11.968 -0.402 1.00 1.49 H new ATOM 0 HG21 THR A 176 11.035 11.073 0.625 1.00 1.76 H new ATOM 0 HG22 THR A 176 11.304 10.122 -0.854 1.00 1.76 H new ATOM 0 HG23 THR A 176 10.758 11.812 -0.970 1.00 1.76 H new ATOM 1680 N PHE A 177 6.464 9.348 -2.191 1.00 0.52 N ATOM 1681 CA PHE A 177 5.330 8.459 -1.982 1.00 0.45 C ATOM 1682 C PHE A 177 5.040 7.599 -3.205 1.00 0.41 C ATOM 1683 O PHE A 177 5.435 7.925 -4.326 1.00 0.50 O ATOM 1684 CB PHE A 177 4.075 9.268 -1.621 1.00 0.49 C ATOM 1685 CG PHE A 177 3.582 10.164 -2.729 1.00 0.55 C ATOM 1686 CD1 PHE A 177 2.639 9.705 -3.638 1.00 1.37 C ATOM 1687 CD2 PHE A 177 4.057 11.459 -2.864 1.00 1.31 C ATOM 1688 CE1 PHE A 177 2.185 10.516 -4.659 1.00 1.46 C ATOM 1689 CE2 PHE A 177 3.604 12.274 -3.884 1.00 1.38 C ATOM 1690 CZ PHE A 177 2.668 11.801 -4.781 1.00 0.86 C ATOM 0 H PHE A 177 6.252 10.190 -2.726 1.00 0.52 H new ATOM 0 HA PHE A 177 5.595 7.796 -1.158 1.00 0.45 H new ATOM 0 HB2 PHE A 177 3.278 8.578 -1.344 1.00 0.49 H new ATOM 0 HB3 PHE A 177 4.288 9.877 -0.743 1.00 0.49 H new ATOM 0 HD1 PHE A 177 2.255 8.700 -3.545 1.00 1.37 H new ATOM 0 HD2 PHE A 177 4.789 11.835 -2.165 1.00 1.31 H new ATOM 0 HE1 PHE A 177 1.453 10.144 -5.361 1.00 1.46 H new ATOM 0 HE2 PHE A 177 3.982 13.281 -3.979 1.00 1.38 H new ATOM 0 HZ PHE A 177 2.314 12.438 -5.578 1.00 0.86 H new ATOM 1700 N GLU A 178 4.355 6.492 -2.964 1.00 0.34 N ATOM 1701 CA GLU A 178 3.802 5.670 -4.020 1.00 0.32 C ATOM 1702 C GLU A 178 2.471 5.106 -3.546 1.00 0.28 C ATOM 1703 O GLU A 178 2.394 4.513 -2.465 1.00 0.28 O ATOM 1704 CB GLU A 178 4.755 4.528 -4.376 1.00 0.37 C ATOM 1705 CG GLU A 178 4.375 3.802 -5.655 1.00 0.40 C ATOM 1706 CD GLU A 178 4.478 4.696 -6.874 1.00 1.20 C ATOM 1707 OE1 GLU A 178 5.569 4.752 -7.478 1.00 1.91 O ATOM 1708 OE2 GLU A 178 3.478 5.359 -7.225 1.00 1.96 O ATOM 0 H GLU A 178 4.168 6.140 -2.025 1.00 0.34 H new ATOM 0 HA GLU A 178 3.658 6.278 -4.913 1.00 0.32 H new ATOM 0 HB2 GLU A 178 5.765 4.926 -4.479 1.00 0.37 H new ATOM 0 HB3 GLU A 178 4.777 3.813 -3.554 1.00 0.37 H new ATOM 0 HG2 GLU A 178 5.024 2.936 -5.786 1.00 0.40 H new ATOM 0 HG3 GLU A 178 3.356 3.426 -5.568 1.00 0.40 H new ATOM 1715 N TRP A 179 1.425 5.313 -4.324 1.00 0.28 N ATOM 1716 CA TRP A 179 0.107 4.828 -3.956 1.00 0.26 C ATOM 1717 C TRP A 179 -0.196 3.509 -4.645 1.00 0.27 C ATOM 1718 O TRP A 179 0.142 3.310 -5.813 1.00 0.38 O ATOM 1719 CB TRP A 179 -0.978 5.840 -4.330 1.00 0.27 C ATOM 1720 CG TRP A 179 -1.047 7.036 -3.430 1.00 0.27 C ATOM 1721 CD1 TRP A 179 -0.534 8.278 -3.671 1.00 0.32 C ATOM 1722 CD2 TRP A 179 -1.686 7.109 -2.149 1.00 0.24 C ATOM 1723 NE1 TRP A 179 -0.821 9.116 -2.623 1.00 0.32 N ATOM 1724 CE2 TRP A 179 -1.524 8.425 -1.679 1.00 0.27 C ATOM 1725 CE3 TRP A 179 -2.383 6.193 -1.355 1.00 0.20 C ATOM 1726 CZ2 TRP A 179 -2.030 8.849 -0.457 1.00 0.27 C ATOM 1727 CZ3 TRP A 179 -2.885 6.617 -0.139 1.00 0.21 C ATOM 1728 CH2 TRP A 179 -2.706 7.936 0.297 1.00 0.24 C ATOM 0 H TRP A 179 1.461 5.812 -5.213 1.00 0.28 H new ATOM 0 HA TRP A 179 0.108 4.684 -2.876 1.00 0.26 H new ATOM 0 HB2 TRP A 179 -0.805 6.179 -5.351 1.00 0.27 H new ATOM 0 HB3 TRP A 179 -1.945 5.337 -4.321 1.00 0.27 H new ATOM 0 HD1 TRP A 179 0.017 8.560 -4.556 1.00 0.32 H new ATOM 0 HE1 TRP A 179 -0.552 10.098 -2.560 1.00 0.32 H new ATOM 0 HE3 TRP A 179 -2.526 5.175 -1.685 1.00 0.20 H new ATOM 0 HZ2 TRP A 179 -1.893 9.865 -0.116 1.00 0.27 H new ATOM 0 HZ3 TRP A 179 -3.424 5.920 0.485 1.00 0.21 H new ATOM 0 HH2 TRP A 179 -3.112 8.236 1.251 1.00 0.24 H new ATOM 1739 N SER A 180 -0.820 2.609 -3.908 1.00 0.23 N ATOM 1740 CA SER A 180 -1.368 1.402 -4.492 1.00 0.28 C ATOM 1741 C SER A 180 -2.694 1.765 -5.150 1.00 0.28 C ATOM 1742 O SER A 180 -3.301 2.778 -4.793 1.00 0.36 O ATOM 1743 CB SER A 180 -1.575 0.335 -3.413 1.00 0.33 C ATOM 1744 OG SER A 180 -1.779 -0.941 -3.986 1.00 1.06 O ATOM 0 H SER A 180 -0.960 2.693 -2.901 1.00 0.23 H new ATOM 0 HA SER A 180 -0.681 0.992 -5.232 1.00 0.28 H new ATOM 0 HB2 SER A 180 -0.706 0.306 -2.755 1.00 0.33 H new ATOM 0 HB3 SER A 180 -2.433 0.600 -2.796 1.00 0.33 H new ATOM 0 HG SER A 180 -1.179 -1.055 -4.753 1.00 1.06 H new ATOM 1750 N GLU A 181 -3.135 0.967 -6.111 1.00 0.31 N ATOM 1751 CA GLU A 181 -4.361 1.275 -6.834 1.00 0.38 C ATOM 1752 C GLU A 181 -5.557 1.158 -5.899 1.00 0.34 C ATOM 1753 O GLU A 181 -5.795 0.098 -5.319 1.00 0.49 O ATOM 1754 CB GLU A 181 -4.527 0.365 -8.054 1.00 0.56 C ATOM 1755 CG GLU A 181 -3.386 0.487 -9.058 1.00 0.74 C ATOM 1756 CD GLU A 181 -3.049 1.931 -9.388 1.00 1.38 C ATOM 1757 OE1 GLU A 181 -2.109 2.480 -8.775 1.00 2.12 O ATOM 1758 OE2 GLU A 181 -3.722 2.524 -10.259 1.00 1.91 O ATOM 0 H GLU A 181 -2.668 0.110 -6.407 1.00 0.31 H new ATOM 0 HA GLU A 181 -4.301 2.300 -7.198 1.00 0.38 H new ATOM 0 HB2 GLU A 181 -4.598 -0.670 -7.719 1.00 0.56 H new ATOM 0 HB3 GLU A 181 -5.467 0.604 -8.552 1.00 0.56 H new ATOM 0 HG2 GLU A 181 -2.500 -0.006 -8.657 1.00 0.74 H new ATOM 0 HG3 GLU A 181 -3.656 -0.038 -9.975 1.00 0.74 H new ATOM 1765 N PRO A 182 -6.318 2.256 -5.745 1.00 0.29 N ATOM 1766 CA PRO A 182 -7.378 2.351 -4.741 1.00 0.26 C ATOM 1767 C PRO A 182 -8.460 1.296 -4.927 1.00 0.28 C ATOM 1768 O PRO A 182 -9.205 1.310 -5.912 1.00 0.32 O ATOM 1769 CB PRO A 182 -7.959 3.758 -4.939 1.00 0.29 C ATOM 1770 CG PRO A 182 -7.516 4.183 -6.298 1.00 0.35 C ATOM 1771 CD PRO A 182 -6.213 3.480 -6.557 1.00 0.39 C ATOM 0 HA PRO A 182 -6.988 2.181 -3.738 1.00 0.26 H new ATOM 0 HB2 PRO A 182 -9.046 3.748 -4.866 1.00 0.29 H new ATOM 0 HB3 PRO A 182 -7.595 4.444 -4.175 1.00 0.29 H new ATOM 0 HG2 PRO A 182 -8.258 3.915 -7.050 1.00 0.35 H new ATOM 0 HG3 PRO A 182 -7.390 5.265 -6.345 1.00 0.35 H new ATOM 0 HD2 PRO A 182 -6.084 3.251 -7.615 1.00 0.39 H new ATOM 0 HD3 PRO A 182 -5.361 4.090 -6.256 1.00 0.39 H new ATOM 1779 N MET A 183 -8.544 0.389 -3.970 1.00 0.28 N ATOM 1780 CA MET A 183 -9.559 -0.643 -3.986 1.00 0.30 C ATOM 1781 C MET A 183 -10.789 -0.166 -3.242 1.00 0.26 C ATOM 1782 O MET A 183 -10.688 0.439 -2.173 1.00 0.25 O ATOM 1783 CB MET A 183 -9.048 -1.953 -3.370 1.00 0.34 C ATOM 1784 CG MET A 183 -8.350 -1.798 -2.030 1.00 0.29 C ATOM 1785 SD MET A 183 -6.633 -1.270 -2.207 1.00 0.31 S ATOM 1786 CE MET A 183 -6.147 -1.095 -0.497 1.00 0.27 C ATOM 0 H MET A 183 -7.915 0.349 -3.168 1.00 0.28 H new ATOM 0 HA MET A 183 -9.815 -0.844 -5.026 1.00 0.30 H new ATOM 0 HB2 MET A 183 -9.891 -2.634 -3.248 1.00 0.34 H new ATOM 0 HB3 MET A 183 -8.358 -2.423 -4.071 1.00 0.34 H new ATOM 0 HG2 MET A 183 -8.890 -1.071 -1.424 1.00 0.29 H new ATOM 0 HG3 MET A 183 -8.382 -2.747 -1.494 1.00 0.29 H new ATOM 0 HE1 MET A 183 -5.199 -0.559 -0.441 1.00 0.27 H new ATOM 0 HE2 MET A 183 -6.912 -0.537 0.043 1.00 0.27 H new ATOM 0 HE3 MET A 183 -6.033 -2.082 -0.048 1.00 0.27 H new ATOM 1796 N ARG A 184 -11.949 -0.431 -3.811 1.00 0.28 N ATOM 1797 CA ARG A 184 -13.191 -0.003 -3.206 1.00 0.29 C ATOM 1798 C ARG A 184 -13.963 -1.206 -2.713 1.00 0.31 C ATOM 1799 O ARG A 184 -14.425 -2.022 -3.512 1.00 0.39 O ATOM 1800 CB ARG A 184 -14.064 0.765 -4.201 1.00 0.35 C ATOM 1801 CG ARG A 184 -13.335 1.827 -5.003 1.00 1.17 C ATOM 1802 CD ARG A 184 -14.288 2.512 -5.967 1.00 1.16 C ATOM 1803 NE ARG A 184 -13.619 3.493 -6.814 1.00 1.88 N ATOM 1804 CZ ARG A 184 -14.245 4.505 -7.408 1.00 2.24 C ATOM 1805 NH1 ARG A 184 -15.550 4.676 -7.231 1.00 1.94 N ATOM 1806 NH2 ARG A 184 -13.571 5.336 -8.191 1.00 3.32 N ATOM 0 H ARG A 184 -12.055 -0.939 -4.689 1.00 0.28 H new ATOM 0 HA ARG A 184 -12.942 0.657 -2.375 1.00 0.29 H new ATOM 0 HB2 ARG A 184 -14.514 0.053 -4.893 1.00 0.35 H new ATOM 0 HB3 ARG A 184 -14.880 1.239 -3.656 1.00 0.35 H new ATOM 0 HG2 ARG A 184 -12.898 2.564 -4.329 1.00 1.17 H new ATOM 0 HG3 ARG A 184 -12.513 1.373 -5.556 1.00 1.17 H new ATOM 0 HD2 ARG A 184 -14.766 1.760 -6.595 1.00 1.16 H new ATOM 0 HD3 ARG A 184 -15.079 3.005 -5.402 1.00 1.16 H new ATOM 0 HE ARG A 184 -12.614 3.397 -6.959 1.00 1.88 H new ATOM 0 HH11 ARG A 184 -16.073 4.031 -6.639 1.00 1.94 H new ATOM 0 HH12 ARG A 184 -16.029 5.452 -7.687 1.00 1.94 H new ATOM 0 HH21 ARG A 184 -12.571 5.200 -8.339 1.00 3.32 H new ATOM 0 HH22 ARG A 184 -14.053 6.112 -8.646 1.00 3.32 H new ATOM 1820 N LEU A 185 -14.092 -1.322 -1.406 1.00 0.28 N ATOM 1821 CA LEU A 185 -14.938 -2.348 -0.833 1.00 0.32 C ATOM 1822 C LEU A 185 -16.311 -1.742 -0.636 1.00 0.36 C ATOM 1823 O LEU A 185 -16.564 -1.071 0.357 1.00 0.51 O ATOM 1824 CB LEU A 185 -14.384 -2.848 0.507 1.00 0.36 C ATOM 1825 CG LEU A 185 -12.914 -3.272 0.505 1.00 0.46 C ATOM 1826 CD1 LEU A 185 -12.533 -3.845 1.861 1.00 0.75 C ATOM 1827 CD2 LEU A 185 -12.641 -4.284 -0.599 1.00 0.74 C ATOM 0 H LEU A 185 -13.625 -0.723 -0.725 1.00 0.28 H new ATOM 0 HA LEU A 185 -14.980 -3.208 -1.501 1.00 0.32 H new ATOM 0 HB2 LEU A 185 -14.514 -2.060 1.249 1.00 0.36 H new ATOM 0 HB3 LEU A 185 -14.986 -3.696 0.834 1.00 0.36 H new ATOM 0 HG LEU A 185 -12.302 -2.391 0.312 1.00 0.46 H new ATOM 0 HD11 LEU A 185 -11.485 -4.144 1.848 1.00 0.75 H new ATOM 0 HD12 LEU A 185 -12.686 -3.089 2.631 1.00 0.75 H new ATOM 0 HD13 LEU A 185 -13.155 -4.714 2.077 1.00 0.75 H new ATOM 0 HD21 LEU A 185 -11.589 -4.569 -0.579 1.00 0.74 H new ATOM 0 HD22 LEU A 185 -13.260 -5.168 -0.444 1.00 0.74 H new ATOM 0 HD23 LEU A 185 -12.878 -3.840 -1.566 1.00 0.74 H new