USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 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 103 ASN : amide:sc= -4.23 K(o=-4.2,f=-5.9!) USER MOD Set 1.2: A 145 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 141 GLN : amide:sc= 0.831 K(o=1.4,f=0.56) USER MOD Set 2.2: A 147 TYR OH : rot -99:sc= 0.577 USER MOD Set 3.1: A 112 LYS NZ :NH3+ -171:sc= 1 (180deg=0) USER MOD Set 3.2: A 139 SER OG : rot -170:sc= 0.866 USER MOD Set 4.1: A 84 GLN : amide:sc= 1.17 K(o=2.2,f=-8.4!) USER MOD Set 4.2: A 180 SER OG : rot -30:sc= 1 USER MOD Single : A 76 GLN : amide:sc= -0.909! C(o=-0.91!,f=-8!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 82 SER OG : rot -82:sc= 1.04 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.834 USER MOD Single : A 87 THR OG1 : rot -140:sc= -0.139 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -1.19 USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 107 LYS NZ :NH3+ 127:sc= 1.32 (180deg=-0.0206) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-6.5!) USER MOD Single : A 119 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.749) USER MOD Single : A 122 ASN : amide:sc= 1.94 K(o=1.9,f=-10!) 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= 0 X(o=0,f=0) USER MOD Single : A 135 LYS NZ :NH3+ 171:sc=-0.00585 (180deg=-0.0973) USER MOD Single : A 140 ASN : amide:sc= -2.71! C(o=-2.7!,f=-6.7!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 112:sc= 0.399 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+ -175:sc= 0 (180deg=-0.0485) USER MOD Single : A 155 MET CE :methyl -169:sc= -1.16 (180deg=-1.43) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 TYR OH : rot -4:sc= 1.23 USER MOD Single : A 163 LYS NZ :NH3+ 172:sc= -0.464 (180deg=-0.698) USER MOD Single : A 165 TYR OH : rot 30:sc= -0.055 USER MOD Single : A 166 LYS NZ :NH3+ -128:sc= 0.472 (180deg=-0.0769) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 22:sc= 0.419 USER MOD Single : A 183 MET CE :methyl -174:sc= -0.813 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 75 20.412 0.025 -0.410 1.00 0.79 N ATOM 50 CA ASP A 75 20.116 -1.330 -0.882 1.00 0.78 C ATOM 51 C ASP A 75 18.632 -1.561 -1.181 1.00 0.67 C ATOM 52 O ASP A 75 18.296 -2.310 -2.087 1.00 0.92 O ATOM 53 CB ASP A 75 20.600 -2.347 0.155 1.00 0.92 C ATOM 54 CG ASP A 75 22.092 -2.247 0.401 1.00 1.37 C ATOM 55 OD1 ASP A 75 22.520 -1.323 1.131 1.00 2.01 O ATOM 56 OD2 ASP A 75 22.845 -3.083 -0.132 1.00 1.86 O ATOM 0 HA ASP A 75 20.645 -1.459 -1.826 1.00 0.78 H new ATOM 0 HB2 ASP A 75 20.067 -2.189 1.093 1.00 0.92 H new ATOM 0 HB3 ASP A 75 20.356 -3.354 -0.184 1.00 0.92 H new ATOM 61 N GLN A 76 17.760 -0.939 -0.406 1.00 0.59 N ATOM 62 CA GLN A 76 16.313 -1.177 -0.504 1.00 0.77 C ATOM 63 C GLN A 76 15.581 -0.171 -1.406 1.00 0.69 C ATOM 64 O GLN A 76 14.360 -0.067 -1.342 1.00 0.94 O ATOM 65 CB GLN A 76 15.667 -1.208 0.889 1.00 1.07 C ATOM 66 CG GLN A 76 16.178 -0.145 1.853 1.00 1.21 C ATOM 67 CD GLN A 76 17.507 -0.513 2.478 1.00 1.75 C ATOM 68 OE1 GLN A 76 17.811 -1.688 2.677 1.00 2.30 O ATOM 69 NE2 GLN A 76 18.311 0.487 2.781 1.00 2.36 N ATOM 0 H GLN A 76 18.023 -0.258 0.307 1.00 0.59 H new ATOM 0 HA GLN A 76 16.206 -2.153 -0.978 1.00 0.77 H new ATOM 0 HB2 GLN A 76 14.589 -1.089 0.777 1.00 1.07 H new ATOM 0 HB3 GLN A 76 15.835 -2.190 1.331 1.00 1.07 H new ATOM 0 HG2 GLN A 76 16.280 0.802 1.322 1.00 1.21 H new ATOM 0 HG3 GLN A 76 15.441 0.009 2.641 1.00 1.21 H new ATOM 0 HE21 GLN A 76 18.021 1.448 2.600 1.00 2.36 H new ATOM 0 HE22 GLN A 76 19.223 0.300 3.197 1.00 2.36 H new ATOM 78 N SER A 77 16.318 0.582 -2.210 1.00 0.51 N ATOM 79 CA SER A 77 15.759 1.698 -2.996 1.00 0.56 C ATOM 80 C SER A 77 14.538 1.358 -3.877 1.00 0.43 C ATOM 81 O SER A 77 13.737 2.248 -4.170 1.00 0.54 O ATOM 82 CB SER A 77 16.843 2.288 -3.895 1.00 0.80 C ATOM 83 OG SER A 77 17.864 2.907 -3.135 1.00 1.52 O ATOM 0 H SER A 77 17.320 0.445 -2.343 1.00 0.51 H new ATOM 0 HA SER A 77 15.403 2.404 -2.246 1.00 0.56 H new ATOM 0 HB2 SER A 77 17.274 1.500 -4.513 1.00 0.80 H new ATOM 0 HB3 SER A 77 16.399 3.017 -4.573 1.00 0.80 H new ATOM 0 HG SER A 77 18.544 3.274 -3.738 1.00 1.52 H new ATOM 89 N ASP A 78 14.371 0.109 -4.296 1.00 0.35 N ATOM 90 CA ASP A 78 13.446 -0.179 -5.401 1.00 0.38 C ATOM 91 C ASP A 78 12.291 -1.109 -5.035 1.00 0.33 C ATOM 92 O ASP A 78 11.923 -1.980 -5.824 1.00 0.42 O ATOM 93 CB ASP A 78 14.199 -0.722 -6.619 1.00 0.51 C ATOM 94 CG ASP A 78 14.715 0.387 -7.513 1.00 0.94 C ATOM 95 OD1 ASP A 78 14.084 0.653 -8.559 1.00 1.66 O ATOM 96 OD2 ASP A 78 15.746 1.003 -7.177 1.00 1.66 O ATOM 0 H ASP A 78 14.846 -0.704 -3.905 1.00 0.35 H new ATOM 0 HA ASP A 78 12.990 0.780 -5.646 1.00 0.38 H new ATOM 0 HB2 ASP A 78 15.036 -1.335 -6.283 1.00 0.51 H new ATOM 0 HB3 ASP A 78 13.538 -1.371 -7.193 1.00 0.51 H new ATOM 101 N LEU A 79 11.732 -0.945 -3.847 1.00 0.26 N ATOM 102 CA LEU A 79 10.517 -1.673 -3.477 1.00 0.26 C ATOM 103 C LEU A 79 9.286 -0.960 -4.031 1.00 0.30 C ATOM 104 O LEU A 79 8.787 -0.009 -3.433 1.00 0.51 O ATOM 105 CB LEU A 79 10.391 -1.819 -1.955 1.00 0.28 C ATOM 106 CG LEU A 79 11.149 -2.994 -1.326 1.00 0.28 C ATOM 107 CD1 LEU A 79 10.673 -4.312 -1.910 1.00 0.29 C ATOM 108 CD2 LEU A 79 12.649 -2.839 -1.507 1.00 0.30 C ATOM 0 H LEU A 79 12.092 -0.321 -3.124 1.00 0.26 H new ATOM 0 HA LEU A 79 10.584 -2.671 -3.909 1.00 0.26 H new ATOM 0 HB2 LEU A 79 10.742 -0.897 -1.492 1.00 0.28 H new ATOM 0 HB3 LEU A 79 9.335 -1.919 -1.706 1.00 0.28 H new ATOM 0 HG LEU A 79 10.939 -2.994 -0.256 1.00 0.28 H new ATOM 0 HD11 LEU A 79 11.223 -5.133 -1.451 1.00 0.29 H new ATOM 0 HD12 LEU A 79 9.608 -4.434 -1.713 1.00 0.29 H new ATOM 0 HD13 LEU A 79 10.846 -4.317 -2.986 1.00 0.29 H new ATOM 0 HD21 LEU A 79 13.160 -3.687 -1.051 1.00 0.30 H new ATOM 0 HD22 LEU A 79 12.885 -2.802 -2.570 1.00 0.30 H new ATOM 0 HD23 LEU A 79 12.980 -1.917 -1.030 1.00 0.30 H new ATOM 120 N HIS A 80 8.795 -1.423 -5.170 1.00 0.21 N ATOM 121 CA HIS A 80 7.683 -0.757 -5.837 1.00 0.25 C ATOM 122 C HIS A 80 6.416 -1.595 -5.725 1.00 0.22 C ATOM 123 O HIS A 80 6.444 -2.805 -5.938 1.00 0.23 O ATOM 124 CB HIS A 80 8.023 -0.506 -7.314 1.00 0.33 C ATOM 125 CG HIS A 80 7.101 0.461 -8.001 1.00 1.03 C ATOM 126 ND1 HIS A 80 7.491 1.730 -8.368 1.00 1.94 N ATOM 127 CD2 HIS A 80 5.808 0.343 -8.389 1.00 1.86 C ATOM 128 CE1 HIS A 80 6.481 2.349 -8.948 1.00 2.58 C ATOM 129 NE2 HIS A 80 5.450 1.529 -8.973 1.00 2.50 N ATOM 0 H HIS A 80 9.145 -2.252 -5.651 1.00 0.21 H new ATOM 0 HA HIS A 80 7.510 0.202 -5.348 1.00 0.25 H new ATOM 0 HB2 HIS A 80 9.043 -0.129 -7.382 1.00 0.33 H new ATOM 0 HB3 HIS A 80 7.999 -1.456 -7.848 1.00 0.33 H new ATOM 0 HD2 HIS A 80 5.177 -0.524 -8.261 1.00 1.86 H new ATOM 0 HE1 HIS A 80 6.496 3.357 -9.336 1.00 2.58 H new ATOM 0 HE2 HIS A 80 4.533 1.743 -9.364 1.00 2.50 H new ATOM 138 N ILE A 81 5.310 -0.945 -5.375 1.00 0.23 N ATOM 139 CA ILE A 81 4.014 -1.610 -5.303 1.00 0.23 C ATOM 140 C ILE A 81 3.574 -2.057 -6.694 1.00 0.26 C ATOM 141 O ILE A 81 3.056 -1.261 -7.480 1.00 0.36 O ATOM 142 CB ILE A 81 2.929 -0.687 -4.704 1.00 0.24 C ATOM 143 CG1 ILE A 81 3.352 -0.178 -3.322 1.00 0.23 C ATOM 144 CG2 ILE A 81 1.600 -1.428 -4.615 1.00 0.28 C ATOM 145 CD1 ILE A 81 2.389 0.831 -2.735 1.00 0.27 C ATOM 0 H ILE A 81 5.286 0.046 -5.136 1.00 0.23 H new ATOM 0 HA ILE A 81 4.130 -2.475 -4.650 1.00 0.23 H new ATOM 0 HB ILE A 81 2.807 0.174 -5.361 1.00 0.24 H new ATOM 0 HG12 ILE A 81 3.439 -1.025 -2.642 1.00 0.23 H new ATOM 0 HG13 ILE A 81 4.341 0.274 -3.396 1.00 0.23 H new ATOM 0 HG21 ILE A 81 0.843 -0.768 -4.192 1.00 0.28 H new ATOM 0 HG22 ILE A 81 1.291 -1.742 -5.612 1.00 0.28 H new ATOM 0 HG23 ILE A 81 1.714 -2.305 -3.978 1.00 0.28 H new ATOM 0 HD11 ILE A 81 2.748 1.150 -1.757 1.00 0.27 H new ATOM 0 HD12 ILE A 81 2.320 1.695 -3.396 1.00 0.27 H new ATOM 0 HD13 ILE A 81 1.404 0.376 -2.629 1.00 0.27 H new ATOM 157 N SER A 82 3.793 -3.324 -6.994 1.00 0.25 N ATOM 158 CA SER A 82 3.461 -3.868 -8.302 1.00 0.29 C ATOM 159 C SER A 82 2.017 -4.338 -8.327 1.00 0.33 C ATOM 160 O SER A 82 1.307 -4.178 -9.325 1.00 0.43 O ATOM 161 CB SER A 82 4.401 -5.030 -8.656 1.00 0.32 C ATOM 162 OG SER A 82 3.982 -5.697 -9.840 1.00 1.10 O ATOM 0 H SER A 82 4.201 -4.000 -6.348 1.00 0.25 H new ATOM 0 HA SER A 82 3.587 -3.080 -9.044 1.00 0.29 H new ATOM 0 HB2 SER A 82 5.415 -4.652 -8.789 1.00 0.32 H new ATOM 0 HB3 SER A 82 4.432 -5.739 -7.829 1.00 0.32 H new ATOM 0 HG SER A 82 3.270 -6.334 -9.622 1.00 1.10 H new ATOM 168 N ASP A 83 1.580 -4.903 -7.214 1.00 0.33 N ATOM 169 CA ASP A 83 0.266 -5.511 -7.135 1.00 0.38 C ATOM 170 C ASP A 83 -0.334 -5.253 -5.774 1.00 0.30 C ATOM 171 O ASP A 83 0.333 -4.715 -4.889 1.00 0.27 O ATOM 172 CB ASP A 83 0.347 -7.017 -7.404 1.00 0.46 C ATOM 173 CG ASP A 83 0.767 -7.328 -8.825 1.00 1.27 C ATOM 174 OD1 ASP A 83 1.978 -7.513 -9.068 1.00 2.07 O ATOM 175 OD2 ASP A 83 -0.110 -7.387 -9.712 1.00 1.90 O ATOM 0 H ASP A 83 2.120 -4.952 -6.350 1.00 0.33 H new ATOM 0 HA ASP A 83 -0.372 -5.065 -7.898 1.00 0.38 H new ATOM 0 HB2 ASP A 83 1.056 -7.469 -6.711 1.00 0.46 H new ATOM 0 HB3 ASP A 83 -0.624 -7.471 -7.207 1.00 0.46 H new ATOM 180 N GLN A 84 -1.583 -5.638 -5.601 1.00 0.31 N ATOM 181 CA GLN A 84 -2.299 -5.349 -4.379 1.00 0.35 C ATOM 182 C GLN A 84 -3.549 -6.203 -4.280 1.00 0.34 C ATOM 183 O GLN A 84 -3.698 -7.181 -5.013 1.00 0.39 O ATOM 184 CB GLN A 84 -2.682 -3.869 -4.355 1.00 0.49 C ATOM 185 CG GLN A 84 -3.553 -3.480 -5.539 1.00 0.64 C ATOM 186 CD GLN A 84 -3.948 -2.027 -5.528 1.00 1.32 C ATOM 187 OE1 GLN A 84 -3.251 -1.177 -6.076 1.00 2.14 O ATOM 188 NE2 GLN A 84 -5.076 -1.736 -4.909 1.00 1.98 N ATOM 0 H GLN A 84 -2.123 -6.154 -6.296 1.00 0.31 H new ATOM 0 HA GLN A 84 -1.655 -5.577 -3.529 1.00 0.35 H new ATOM 0 HB2 GLN A 84 -3.212 -3.648 -3.429 1.00 0.49 H new ATOM 0 HB3 GLN A 84 -1.777 -3.262 -4.357 1.00 0.49 H new ATOM 0 HG2 GLN A 84 -3.018 -3.698 -6.463 1.00 0.64 H new ATOM 0 HG3 GLN A 84 -4.453 -4.095 -5.538 1.00 0.64 H new ATOM 0 HE21 GLN A 84 -5.621 -2.477 -4.468 1.00 1.98 H new ATOM 0 HE22 GLN A 84 -5.403 -0.770 -4.871 1.00 1.98 H new ATOM 197 N THR A 85 -4.422 -5.833 -3.352 1.00 0.34 N ATOM 198 CA THR A 85 -5.737 -6.433 -3.228 1.00 0.39 C ATOM 199 C THR A 85 -6.409 -6.538 -4.598 1.00 0.50 C ATOM 200 O THR A 85 -6.571 -5.532 -5.298 1.00 0.54 O ATOM 201 CB THR A 85 -6.608 -5.583 -2.287 1.00 0.32 C ATOM 202 OG1 THR A 85 -5.937 -5.412 -1.030 1.00 0.43 O ATOM 203 CG2 THR A 85 -7.969 -6.221 -2.061 1.00 0.42 C ATOM 0 H THR A 85 -4.234 -5.105 -2.663 1.00 0.34 H new ATOM 0 HA THR A 85 -5.626 -7.436 -2.815 1.00 0.39 H new ATOM 0 HB THR A 85 -6.765 -4.612 -2.757 1.00 0.32 H new ATOM 0 HG1 THR A 85 -6.493 -4.869 -0.433 1.00 0.43 H new ATOM 0 HG21 THR A 85 -8.558 -5.594 -1.392 1.00 0.42 H new ATOM 0 HG22 THR A 85 -8.487 -6.320 -3.015 1.00 0.42 H new ATOM 0 HG23 THR A 85 -7.839 -7.207 -1.614 1.00 0.42 H new ATOM 211 N ASP A 86 -6.795 -7.752 -4.969 1.00 0.69 N ATOM 212 CA ASP A 86 -7.328 -8.022 -6.301 1.00 0.89 C ATOM 213 C ASP A 86 -8.724 -7.438 -6.459 1.00 0.83 C ATOM 214 O ASP A 86 -9.730 -8.122 -6.266 1.00 1.12 O ATOM 215 CB ASP A 86 -7.346 -9.526 -6.582 1.00 1.20 C ATOM 216 CG ASP A 86 -5.954 -10.110 -6.718 1.00 1.67 C ATOM 217 OD1 ASP A 86 -5.455 -10.705 -5.743 1.00 2.32 O ATOM 218 OD2 ASP A 86 -5.348 -9.969 -7.805 1.00 2.23 O ATOM 0 H ASP A 86 -6.749 -8.571 -4.363 1.00 0.69 H new ATOM 0 HA ASP A 86 -6.673 -7.541 -7.027 1.00 0.89 H new ATOM 0 HB2 ASP A 86 -7.873 -10.036 -5.776 1.00 1.20 H new ATOM 0 HB3 ASP A 86 -7.906 -9.714 -7.498 1.00 1.20 H new ATOM 223 N THR A 87 -8.772 -6.163 -6.803 1.00 0.72 N ATOM 224 CA THR A 87 -10.024 -5.445 -6.945 1.00 0.74 C ATOM 225 C THR A 87 -9.963 -4.489 -8.132 1.00 0.81 C ATOM 226 O THR A 87 -10.563 -4.747 -9.175 1.00 1.42 O ATOM 227 CB THR A 87 -10.332 -4.650 -5.666 1.00 1.14 C ATOM 228 OG1 THR A 87 -9.120 -4.065 -5.175 1.00 1.36 O ATOM 229 CG2 THR A 87 -10.946 -5.537 -4.593 1.00 1.87 C ATOM 0 H THR A 87 -7.944 -5.598 -6.991 1.00 0.72 H new ATOM 0 HA THR A 87 -10.815 -6.175 -7.116 1.00 0.74 H new ATOM 0 HB THR A 87 -11.055 -3.872 -5.909 1.00 1.14 H new ATOM 0 HG1 THR A 87 -9.099 -4.128 -4.197 1.00 1.36 H new ATOM 0 HG21 THR A 87 -11.151 -4.942 -3.703 1.00 1.87 H new ATOM 0 HG22 THR A 87 -11.876 -5.967 -4.965 1.00 1.87 H new ATOM 0 HG23 THR A 87 -10.251 -6.338 -4.342 1.00 1.87 H new ATOM 280 N VAL A 91 -15.619 -3.684 -5.588 1.00 0.65 N ATOM 281 CA VAL A 91 -15.941 -5.081 -5.339 1.00 0.77 C ATOM 282 C VAL A 91 -16.483 -5.207 -3.927 1.00 0.55 C ATOM 283 O VAL A 91 -16.018 -4.502 -3.035 1.00 0.46 O ATOM 284 CB VAL A 91 -14.690 -5.978 -5.489 1.00 1.02 C ATOM 285 CG1 VAL A 91 -15.027 -7.444 -5.260 1.00 1.43 C ATOM 286 CG2 VAL A 91 -14.048 -5.786 -6.855 1.00 1.51 C ATOM 0 HA VAL A 91 -16.682 -5.408 -6.068 1.00 0.77 H new ATOM 0 HB VAL A 91 -13.975 -5.675 -4.724 1.00 1.02 H new ATOM 0 HG11 VAL A 91 -14.126 -8.046 -5.373 1.00 1.43 H new ATOM 0 HG12 VAL A 91 -15.426 -7.573 -4.254 1.00 1.43 H new ATOM 0 HG13 VAL A 91 -15.771 -7.764 -5.989 1.00 1.43 H new ATOM 0 HG21 VAL A 91 -13.170 -6.427 -6.938 1.00 1.51 H new ATOM 0 HG22 VAL A 91 -14.764 -6.049 -7.634 1.00 1.51 H new ATOM 0 HG23 VAL A 91 -13.749 -4.744 -6.973 1.00 1.51 H new ATOM 296 N CYS A 92 -17.452 -6.083 -3.702 1.00 0.79 N ATOM 297 CA CYS A 92 -17.994 -6.223 -2.364 1.00 0.64 C ATOM 298 C CYS A 92 -17.266 -7.336 -1.635 1.00 0.62 C ATOM 299 O CYS A 92 -17.325 -8.502 -2.037 1.00 1.20 O ATOM 300 CB CYS A 92 -19.487 -6.546 -2.432 1.00 1.10 C ATOM 301 SG CYS A 92 -20.461 -5.384 -3.416 1.00 1.91 S ATOM 0 H CYS A 92 -17.868 -6.690 -4.408 1.00 0.79 H new ATOM 0 HA CYS A 92 -17.858 -5.285 -1.826 1.00 0.64 H new ATOM 0 HB2 CYS A 92 -19.611 -7.546 -2.846 1.00 1.10 H new ATOM 0 HB3 CYS A 92 -19.887 -6.569 -1.418 1.00 1.10 H new ATOM 0 HG CYS A 92 -21.708 -5.750 -3.410 1.00 1.91 H new ATOM 307 N SER A 93 -16.571 -6.967 -0.573 1.00 0.69 N ATOM 308 CA SER A 93 -15.845 -7.925 0.229 1.00 1.02 C ATOM 309 C SER A 93 -15.585 -7.378 1.629 1.00 0.58 C ATOM 310 O SER A 93 -15.034 -6.284 1.765 1.00 0.73 O ATOM 311 CB SER A 93 -14.516 -8.266 -0.451 1.00 1.83 C ATOM 312 OG SER A 93 -13.880 -9.367 0.176 1.00 2.58 O ATOM 0 H SER A 93 -16.497 -6.003 -0.248 1.00 0.69 H new ATOM 0 HA SER A 93 -16.450 -8.827 0.321 1.00 1.02 H new ATOM 0 HB2 SER A 93 -14.692 -8.496 -1.502 1.00 1.83 H new ATOM 0 HB3 SER A 93 -13.857 -7.398 -0.421 1.00 1.83 H new ATOM 0 HG SER A 93 -13.035 -9.561 -0.282 1.00 2.58 H new ATOM 318 N PRO A 94 -15.983 -8.090 2.687 1.00 0.78 N ATOM 319 CA PRO A 94 -15.385 -7.877 3.994 1.00 0.67 C ATOM 320 C PRO A 94 -14.002 -8.512 3.984 1.00 0.53 C ATOM 321 O PRO A 94 -13.875 -9.738 4.039 1.00 0.59 O ATOM 322 CB PRO A 94 -16.318 -8.618 4.965 1.00 0.93 C ATOM 323 CG PRO A 94 -17.499 -9.051 4.150 1.00 1.39 C ATOM 324 CD PRO A 94 -17.039 -9.103 2.718 1.00 1.43 C ATOM 0 HA PRO A 94 -15.275 -6.828 4.269 1.00 0.67 H new ATOM 0 HB2 PRO A 94 -15.816 -9.476 5.411 1.00 0.93 H new ATOM 0 HB3 PRO A 94 -16.626 -7.968 5.784 1.00 0.93 H new ATOM 0 HG2 PRO A 94 -17.858 -10.027 4.477 1.00 1.39 H new ATOM 0 HG3 PRO A 94 -18.327 -8.351 4.266 1.00 1.39 H new ATOM 0 HD2 PRO A 94 -16.663 -10.090 2.448 1.00 1.43 H new ATOM 0 HD3 PRO A 94 -17.846 -8.869 2.024 1.00 1.43 H new ATOM 332 N PHE A 95 -12.966 -7.696 3.916 1.00 0.43 N ATOM 333 CA PHE A 95 -11.659 -8.209 3.548 1.00 0.40 C ATOM 334 C PHE A 95 -10.538 -7.415 4.204 1.00 0.33 C ATOM 335 O PHE A 95 -10.692 -6.230 4.501 1.00 0.32 O ATOM 336 CB PHE A 95 -11.538 -8.135 2.020 1.00 0.46 C ATOM 337 CG PHE A 95 -10.499 -9.036 1.415 1.00 0.50 C ATOM 338 CD1 PHE A 95 -10.738 -10.395 1.276 1.00 1.26 C ATOM 339 CD2 PHE A 95 -9.294 -8.524 0.963 1.00 1.35 C ATOM 340 CE1 PHE A 95 -9.795 -11.223 0.700 1.00 1.33 C ATOM 341 CE2 PHE A 95 -8.347 -9.347 0.391 1.00 1.36 C ATOM 342 CZ PHE A 95 -8.598 -10.698 0.257 1.00 0.68 C ATOM 0 H PHE A 95 -13.001 -6.695 4.107 1.00 0.43 H new ATOM 0 HA PHE A 95 -11.564 -9.238 3.895 1.00 0.40 H new ATOM 0 HB2 PHE A 95 -12.506 -8.379 1.583 1.00 0.46 H new ATOM 0 HB3 PHE A 95 -11.312 -7.106 1.739 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -11.673 -10.811 1.622 1.00 1.26 H new ATOM 0 HD2 PHE A 95 -9.094 -7.467 1.060 1.00 1.35 H new ATOM 0 HE1 PHE A 95 -9.994 -12.279 0.596 1.00 1.33 H new ATOM 0 HE2 PHE A 95 -7.409 -8.935 0.048 1.00 1.36 H new ATOM 0 HZ PHE A 95 -7.859 -11.343 -0.194 1.00 0.68 H new ATOM 352 N ALA A 96 -9.426 -8.094 4.455 1.00 0.37 N ATOM 353 CA ALA A 96 -8.213 -7.444 4.915 1.00 0.38 C ATOM 354 C ALA A 96 -7.344 -7.112 3.715 1.00 0.35 C ATOM 355 O ALA A 96 -6.998 -7.991 2.926 1.00 0.51 O ATOM 356 CB ALA A 96 -7.462 -8.335 5.891 1.00 0.49 C ATOM 0 H ALA A 96 -9.343 -9.105 4.345 1.00 0.37 H new ATOM 0 HA ALA A 96 -8.473 -6.525 5.440 1.00 0.38 H new ATOM 0 HB1 ALA A 96 -6.556 -7.828 6.223 1.00 0.49 H new ATOM 0 HB2 ALA A 96 -8.096 -8.547 6.752 1.00 0.49 H new ATOM 0 HB3 ALA A 96 -7.195 -9.270 5.399 1.00 0.49 H new ATOM 362 N LEU A 97 -6.990 -5.852 3.586 1.00 0.24 N ATOM 363 CA LEU A 97 -6.372 -5.358 2.369 1.00 0.22 C ATOM 364 C LEU A 97 -4.874 -5.600 2.374 1.00 0.22 C ATOM 365 O LEU A 97 -4.222 -5.494 3.412 1.00 0.24 O ATOM 366 CB LEU A 97 -6.666 -3.864 2.186 1.00 0.23 C ATOM 367 CG LEU A 97 -8.152 -3.496 2.114 1.00 0.46 C ATOM 368 CD1 LEU A 97 -8.774 -3.426 3.502 1.00 1.40 C ATOM 369 CD2 LEU A 97 -8.342 -2.182 1.383 1.00 1.07 C ATOM 0 H LEU A 97 -7.119 -5.146 4.311 1.00 0.24 H new ATOM 0 HA LEU A 97 -6.801 -5.908 1.531 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -6.212 -3.317 3.012 1.00 0.23 H new ATOM 0 HB3 LEU A 97 -6.179 -3.523 1.272 1.00 0.23 H new ATOM 0 HG LEU A 97 -8.661 -4.283 1.557 1.00 0.46 H new ATOM 0 HD11 LEU A 97 -9.828 -3.163 3.415 1.00 1.40 H new ATOM 0 HD12 LEU A 97 -8.681 -4.395 3.992 1.00 1.40 H new ATOM 0 HD13 LEU A 97 -8.259 -2.670 4.094 1.00 1.40 H new ATOM 0 HD21 LEU A 97 -9.404 -1.938 1.343 1.00 1.07 H new ATOM 0 HD22 LEU A 97 -7.808 -1.392 1.911 1.00 1.07 H new ATOM 0 HD23 LEU A 97 -7.951 -2.270 0.369 1.00 1.07 H new ATOM 381 N PHE A 98 -4.330 -5.927 1.211 1.00 0.23 N ATOM 382 CA PHE A 98 -2.908 -6.171 1.090 1.00 0.23 C ATOM 383 C PHE A 98 -2.332 -5.477 -0.133 1.00 0.22 C ATOM 384 O PHE A 98 -3.062 -5.092 -1.051 1.00 0.25 O ATOM 385 CB PHE A 98 -2.613 -7.679 1.036 1.00 0.24 C ATOM 386 CG PHE A 98 -3.279 -8.411 -0.101 1.00 0.26 C ATOM 387 CD1 PHE A 98 -2.675 -8.485 -1.349 1.00 1.26 C ATOM 388 CD2 PHE A 98 -4.503 -9.034 0.083 1.00 1.18 C ATOM 389 CE1 PHE A 98 -3.282 -9.165 -2.387 1.00 1.31 C ATOM 390 CE2 PHE A 98 -5.113 -9.713 -0.955 1.00 1.17 C ATOM 391 CZ PHE A 98 -4.502 -9.778 -2.190 1.00 0.40 C ATOM 0 H PHE A 98 -4.854 -6.028 0.342 1.00 0.23 H new ATOM 0 HA PHE A 98 -2.427 -5.755 1.975 1.00 0.23 H new ATOM 0 HB2 PHE A 98 -1.535 -7.822 0.960 1.00 0.24 H new ATOM 0 HB3 PHE A 98 -2.929 -8.131 1.976 1.00 0.24 H new ATOM 0 HD1 PHE A 98 -1.721 -8.006 -1.510 1.00 1.26 H new ATOM 0 HD2 PHE A 98 -4.986 -8.989 1.048 1.00 1.18 H new ATOM 0 HE1 PHE A 98 -2.801 -9.217 -3.353 1.00 1.31 H new ATOM 0 HE2 PHE A 98 -6.068 -10.193 -0.799 1.00 1.17 H new ATOM 0 HZ PHE A 98 -4.978 -10.308 -3.002 1.00 0.40 H new ATOM 401 N ALA A 99 -1.022 -5.307 -0.116 1.00 0.20 N ATOM 402 CA ALA A 99 -0.285 -4.760 -1.237 1.00 0.19 C ATOM 403 C ALA A 99 1.020 -5.521 -1.400 1.00 0.17 C ATOM 404 O ALA A 99 1.573 -6.030 -0.424 1.00 0.19 O ATOM 405 CB ALA A 99 -0.021 -3.274 -1.052 1.00 0.21 C ATOM 0 H ALA A 99 -0.436 -5.547 0.684 1.00 0.20 H new ATOM 0 HA ALA A 99 -0.885 -4.873 -2.140 1.00 0.19 H new ATOM 0 HB1 ALA A 99 0.534 -2.893 -1.910 1.00 0.21 H new ATOM 0 HB2 ALA A 99 -0.970 -2.744 -0.969 1.00 0.21 H new ATOM 0 HB3 ALA A 99 0.562 -3.118 -0.145 1.00 0.21 H new ATOM 411 N VAL A 100 1.496 -5.618 -2.625 1.00 0.17 N ATOM 412 CA VAL A 100 2.706 -6.362 -2.916 1.00 0.18 C ATOM 413 C VAL A 100 3.769 -5.452 -3.516 1.00 0.19 C ATOM 414 O VAL A 100 3.552 -4.818 -4.553 1.00 0.22 O ATOM 415 CB VAL A 100 2.419 -7.528 -3.882 1.00 0.23 C ATOM 416 CG1 VAL A 100 3.697 -8.269 -4.234 1.00 0.26 C ATOM 417 CG2 VAL A 100 1.394 -8.480 -3.282 1.00 0.25 C ATOM 0 H VAL A 100 1.060 -5.188 -3.441 1.00 0.17 H new ATOM 0 HA VAL A 100 3.076 -6.768 -1.975 1.00 0.18 H new ATOM 0 HB VAL A 100 2.006 -7.112 -4.801 1.00 0.23 H new ATOM 0 HG11 VAL A 100 3.467 -9.087 -4.917 1.00 0.26 H new ATOM 0 HG12 VAL A 100 4.396 -7.583 -4.712 1.00 0.26 H new ATOM 0 HG13 VAL A 100 4.147 -8.670 -3.326 1.00 0.26 H new ATOM 0 HG21 VAL A 100 1.204 -9.297 -3.979 1.00 0.25 H new ATOM 0 HG22 VAL A 100 1.777 -8.884 -2.345 1.00 0.25 H new ATOM 0 HG23 VAL A 100 0.465 -7.942 -3.092 1.00 0.25 H new ATOM 427 N LEU A 101 4.917 -5.395 -2.864 1.00 0.19 N ATOM 428 CA LEU A 101 6.022 -4.580 -3.333 1.00 0.19 C ATOM 429 C LEU A 101 7.097 -5.470 -3.928 1.00 0.21 C ATOM 430 O LEU A 101 7.582 -6.398 -3.283 1.00 0.23 O ATOM 431 CB LEU A 101 6.618 -3.719 -2.212 1.00 0.19 C ATOM 432 CG LEU A 101 5.677 -2.671 -1.610 1.00 0.22 C ATOM 433 CD1 LEU A 101 4.807 -3.285 -0.524 1.00 0.30 C ATOM 434 CD2 LEU A 101 6.472 -1.491 -1.067 1.00 0.21 C ATOM 0 H LEU A 101 5.108 -5.907 -2.003 1.00 0.19 H new ATOM 0 HA LEU A 101 5.635 -3.904 -4.095 1.00 0.19 H new ATOM 0 HB2 LEU A 101 6.957 -4.379 -1.413 1.00 0.19 H new ATOM 0 HB3 LEU A 101 7.500 -3.209 -2.600 1.00 0.19 H new ATOM 0 HG LEU A 101 5.020 -2.306 -2.399 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.147 -2.522 -0.111 1.00 0.30 H new ATOM 0 HD12 LEU A 101 4.209 -4.091 -0.949 1.00 0.30 H new ATOM 0 HD13 LEU A 101 5.441 -3.683 0.268 1.00 0.30 H new ATOM 0 HD21 LEU A 101 5.788 -0.756 -0.643 1.00 0.21 H new ATOM 0 HD22 LEU A 101 7.156 -1.839 -0.293 1.00 0.21 H new ATOM 0 HD23 LEU A 101 7.041 -1.033 -1.876 1.00 0.21 H new ATOM 446 N GLU A 102 7.455 -5.189 -5.158 1.00 0.24 N ATOM 447 CA GLU A 102 8.443 -5.972 -5.861 1.00 0.29 C ATOM 448 C GLU A 102 9.762 -5.220 -5.897 1.00 0.28 C ATOM 449 O GLU A 102 9.814 -4.067 -6.326 1.00 0.26 O ATOM 450 CB GLU A 102 7.955 -6.272 -7.280 1.00 0.34 C ATOM 451 CG GLU A 102 8.941 -7.071 -8.110 1.00 0.41 C ATOM 452 CD GLU A 102 8.371 -7.486 -9.448 1.00 0.53 C ATOM 453 OE1 GLU A 102 8.323 -6.644 -10.370 1.00 1.32 O ATOM 454 OE2 GLU A 102 7.973 -8.662 -9.588 1.00 0.95 O ATOM 0 H GLU A 102 7.071 -4.414 -5.698 1.00 0.24 H new ATOM 0 HA GLU A 102 8.595 -6.917 -5.340 1.00 0.29 H new ATOM 0 HB2 GLU A 102 7.015 -6.820 -7.223 1.00 0.34 H new ATOM 0 HB3 GLU A 102 7.745 -5.331 -7.789 1.00 0.34 H new ATOM 0 HG2 GLU A 102 9.841 -6.477 -8.271 1.00 0.41 H new ATOM 0 HG3 GLU A 102 9.241 -7.960 -7.555 1.00 0.41 H new ATOM 461 N ASN A 103 10.817 -5.858 -5.413 1.00 0.38 N ATOM 462 CA ASN A 103 12.137 -5.256 -5.456 1.00 0.44 C ATOM 463 C ASN A 103 12.738 -5.426 -6.840 1.00 0.37 C ATOM 464 O ASN A 103 13.167 -6.514 -7.222 1.00 0.51 O ATOM 465 CB ASN A 103 13.066 -5.842 -4.378 1.00 0.68 C ATOM 466 CG ASN A 103 13.051 -7.357 -4.310 1.00 0.87 C ATOM 467 OD1 ASN A 103 12.240 -7.943 -3.599 1.00 1.76 O ATOM 468 ND2 ASN A 103 13.956 -8.000 -5.028 1.00 1.64 N ATOM 0 H ASN A 103 10.784 -6.785 -4.989 1.00 0.38 H new ATOM 0 HA ASN A 103 12.031 -4.192 -5.243 1.00 0.44 H new ATOM 0 HB2 ASN A 103 14.085 -5.507 -4.570 1.00 0.68 H new ATOM 0 HB3 ASN A 103 12.776 -5.442 -3.406 1.00 0.68 H new ATOM 0 HD21 ASN A 103 13.997 -9.019 -5.003 1.00 1.64 H new ATOM 0 HD22 ASN A 103 14.613 -7.477 -5.607 1.00 1.64 H new ATOM 475 N THR A 104 12.752 -4.350 -7.601 1.00 0.34 N ATOM 476 CA THR A 104 13.277 -4.380 -8.953 1.00 0.38 C ATOM 477 C THR A 104 14.799 -4.261 -8.952 1.00 0.50 C ATOM 478 O THR A 104 15.375 -3.377 -9.586 1.00 0.70 O ATOM 479 CB THR A 104 12.648 -3.265 -9.804 1.00 0.55 C ATOM 480 OG1 THR A 104 12.740 -2.012 -9.118 1.00 0.77 O ATOM 481 CG2 THR A 104 11.190 -3.581 -10.095 1.00 0.73 C ATOM 0 H THR A 104 12.404 -3.438 -7.304 1.00 0.34 H new ATOM 0 HA THR A 104 13.014 -5.341 -9.395 1.00 0.38 H new ATOM 0 HB THR A 104 13.192 -3.200 -10.746 1.00 0.55 H new ATOM 0 HG1 THR A 104 12.338 -1.308 -9.668 1.00 0.77 H new ATOM 0 HG21 THR A 104 10.758 -2.783 -10.698 1.00 0.73 H new ATOM 0 HG22 THR A 104 11.123 -4.523 -10.639 1.00 0.73 H new ATOM 0 HG23 THR A 104 10.641 -3.664 -9.157 1.00 0.73 H new ATOM 489 N GLY A 105 15.440 -5.149 -8.206 1.00 0.52 N ATOM 490 CA GLY A 105 16.886 -5.188 -8.171 1.00 0.72 C ATOM 491 C GLY A 105 17.437 -4.849 -6.807 1.00 0.66 C ATOM 492 O GLY A 105 18.497 -5.333 -6.415 1.00 0.80 O ATOM 0 H GLY A 105 14.980 -5.847 -7.621 1.00 0.52 H new ATOM 0 HA2 GLY A 105 17.227 -6.182 -8.461 1.00 0.72 H new ATOM 0 HA3 GLY A 105 17.284 -4.487 -8.905 1.00 0.72 H new ATOM 496 N GLU A 106 16.702 -4.027 -6.080 1.00 0.60 N ATOM 497 CA GLU A 106 17.127 -3.565 -4.770 1.00 0.56 C ATOM 498 C GLU A 106 16.256 -4.199 -3.691 1.00 0.65 C ATOM 499 O GLU A 106 15.177 -3.694 -3.382 1.00 1.05 O ATOM 500 CB GLU A 106 17.019 -2.040 -4.701 1.00 0.68 C ATOM 501 CG GLU A 106 17.705 -1.316 -5.851 1.00 1.25 C ATOM 502 CD GLU A 106 19.213 -1.247 -5.712 1.00 1.91 C ATOM 503 OE1 GLU A 106 19.844 -2.267 -5.368 1.00 2.54 O ATOM 504 OE2 GLU A 106 19.782 -0.168 -5.978 1.00 2.47 O ATOM 0 H GLU A 106 15.798 -3.662 -6.379 1.00 0.60 H new ATOM 0 HA GLU A 106 18.164 -3.857 -4.605 1.00 0.56 H new ATOM 0 HB2 GLU A 106 15.965 -1.761 -4.687 1.00 0.68 H new ATOM 0 HB3 GLU A 106 17.452 -1.698 -3.761 1.00 0.68 H new ATOM 0 HG2 GLU A 106 17.457 -1.820 -6.785 1.00 1.25 H new ATOM 0 HG3 GLU A 106 17.308 -0.303 -5.920 1.00 1.25 H new ATOM 511 N LYS A 107 16.719 -5.314 -3.143 1.00 0.61 N ATOM 512 CA LYS A 107 15.965 -6.057 -2.137 1.00 0.69 C ATOM 513 C LYS A 107 15.898 -5.314 -0.807 1.00 0.66 C ATOM 514 O LYS A 107 16.769 -4.507 -0.481 1.00 0.76 O ATOM 515 CB LYS A 107 16.597 -7.432 -1.928 1.00 0.86 C ATOM 516 CG LYS A 107 16.404 -8.364 -3.108 1.00 1.37 C ATOM 517 CD LYS A 107 17.207 -9.637 -2.951 1.00 1.80 C ATOM 518 CE LYS A 107 16.943 -10.598 -4.098 1.00 2.66 C ATOM 519 NZ LYS A 107 17.747 -11.840 -3.982 1.00 3.32 N ATOM 0 H LYS A 107 17.621 -5.728 -3.379 1.00 0.61 H new ATOM 0 HA LYS A 107 14.945 -6.167 -2.505 1.00 0.69 H new ATOM 0 HB2 LYS A 107 17.664 -7.310 -1.741 1.00 0.86 H new ATOM 0 HB3 LYS A 107 16.168 -7.890 -1.037 1.00 0.86 H new ATOM 0 HG2 LYS A 107 15.347 -8.610 -3.209 1.00 1.37 H new ATOM 0 HG3 LYS A 107 16.702 -7.856 -4.026 1.00 1.37 H new ATOM 0 HD2 LYS A 107 18.270 -9.397 -2.911 1.00 1.80 H new ATOM 0 HD3 LYS A 107 16.953 -10.116 -2.006 1.00 1.80 H new ATOM 0 HE2 LYS A 107 15.884 -10.853 -4.120 1.00 2.66 H new ATOM 0 HE3 LYS A 107 17.172 -10.105 -5.043 1.00 2.66 H new ATOM 0 HZ1 LYS A 107 17.119 -12.667 -4.042 1.00 3.32 H new ATOM 0 HZ2 LYS A 107 18.442 -11.877 -4.754 1.00 3.32 H new ATOM 0 HZ3 LYS A 107 18.244 -11.848 -3.068 1.00 3.32 H new ATOM 533 N LEU A 108 14.850 -5.602 -0.045 1.00 0.59 N ATOM 534 CA LEU A 108 14.662 -5.002 1.266 1.00 0.57 C ATOM 535 C LEU A 108 15.618 -5.664 2.252 1.00 0.63 C ATOM 536 O LEU A 108 15.345 -6.747 2.771 1.00 0.74 O ATOM 537 CB LEU A 108 13.200 -5.175 1.715 1.00 0.60 C ATOM 538 CG LEU A 108 12.706 -4.254 2.840 1.00 0.58 C ATOM 539 CD1 LEU A 108 13.352 -4.594 4.173 1.00 0.61 C ATOM 540 CD2 LEU A 108 12.970 -2.806 2.479 1.00 0.56 C ATOM 0 H LEU A 108 14.113 -6.253 -0.317 1.00 0.59 H new ATOM 0 HA LEU A 108 14.877 -3.934 1.225 1.00 0.57 H new ATOM 0 HB2 LEU A 108 12.558 -5.025 0.847 1.00 0.60 H new ATOM 0 HB3 LEU A 108 13.064 -6.207 2.037 1.00 0.60 H new ATOM 0 HG LEU A 108 11.632 -4.408 2.949 1.00 0.58 H new ATOM 0 HD11 LEU A 108 12.976 -3.920 4.942 1.00 0.61 H new ATOM 0 HD12 LEU A 108 13.111 -5.622 4.442 1.00 0.61 H new ATOM 0 HD13 LEU A 108 14.433 -4.484 4.092 1.00 0.61 H new ATOM 0 HD21 LEU A 108 12.616 -2.160 3.283 1.00 0.56 H new ATOM 0 HD22 LEU A 108 14.040 -2.656 2.337 1.00 0.56 H new ATOM 0 HD23 LEU A 108 12.444 -2.559 1.557 1.00 0.56 H new ATOM 552 N LYS A 109 16.746 -5.016 2.489 1.00 0.62 N ATOM 553 CA LYS A 109 17.782 -5.582 3.335 1.00 0.73 C ATOM 554 C LYS A 109 17.852 -4.894 4.693 1.00 0.75 C ATOM 555 O LYS A 109 17.768 -5.548 5.734 1.00 1.15 O ATOM 556 CB LYS A 109 19.140 -5.481 2.636 1.00 0.92 C ATOM 557 CG LYS A 109 19.284 -6.396 1.430 1.00 1.17 C ATOM 558 CD LYS A 109 19.270 -7.856 1.845 1.00 1.66 C ATOM 559 CE LYS A 109 19.533 -8.780 0.668 1.00 2.07 C ATOM 560 NZ LYS A 109 19.646 -10.199 1.094 1.00 2.72 N ATOM 0 H LYS A 109 16.967 -4.097 2.107 1.00 0.62 H new ATOM 0 HA LYS A 109 17.528 -6.628 3.506 1.00 0.73 H new ATOM 0 HB2 LYS A 109 19.298 -4.450 2.318 1.00 0.92 H new ATOM 0 HB3 LYS A 109 19.925 -5.717 3.354 1.00 0.92 H new ATOM 0 HG2 LYS A 109 18.472 -6.207 0.728 1.00 1.17 H new ATOM 0 HG3 LYS A 109 20.215 -6.172 0.909 1.00 1.17 H new ATOM 0 HD2 LYS A 109 20.025 -8.023 2.614 1.00 1.66 H new ATOM 0 HD3 LYS A 109 18.304 -8.098 2.289 1.00 1.66 H new ATOM 0 HE2 LYS A 109 18.726 -8.682 -0.058 1.00 2.07 H new ATOM 0 HE3 LYS A 109 20.452 -8.477 0.166 1.00 2.07 H new ATOM 0 HZ1 LYS A 109 19.825 -10.798 0.263 1.00 2.72 H new ATOM 0 HZ2 LYS A 109 20.432 -10.298 1.768 1.00 2.72 H new ATOM 0 HZ3 LYS A 109 18.760 -10.496 1.550 1.00 2.72 H new ATOM 574 N LYS A 110 17.992 -3.577 4.681 1.00 0.62 N ATOM 575 CA LYS A 110 18.296 -2.835 5.897 1.00 0.73 C ATOM 576 C LYS A 110 17.071 -2.102 6.431 1.00 0.77 C ATOM 577 O LYS A 110 16.338 -2.628 7.273 1.00 1.53 O ATOM 578 CB LYS A 110 19.432 -1.847 5.625 1.00 0.93 C ATOM 579 CG LYS A 110 20.700 -2.518 5.128 1.00 1.14 C ATOM 580 CD LYS A 110 21.703 -1.509 4.608 1.00 1.46 C ATOM 581 CE LYS A 110 22.986 -2.193 4.175 1.00 1.80 C ATOM 582 NZ LYS A 110 23.908 -1.262 3.478 1.00 1.59 N ATOM 0 H LYS A 110 17.900 -3.000 3.845 1.00 0.62 H new ATOM 0 HA LYS A 110 18.607 -3.547 6.661 1.00 0.73 H new ATOM 0 HB2 LYS A 110 19.101 -1.117 4.886 1.00 0.93 H new ATOM 0 HB3 LYS A 110 19.654 -1.297 6.540 1.00 0.93 H new ATOM 0 HG2 LYS A 110 21.149 -3.092 5.938 1.00 1.14 H new ATOM 0 HG3 LYS A 110 20.451 -3.225 4.336 1.00 1.14 H new ATOM 0 HD2 LYS A 110 21.274 -0.965 3.766 1.00 1.46 H new ATOM 0 HD3 LYS A 110 21.922 -0.775 5.384 1.00 1.46 H new ATOM 0 HE2 LYS A 110 23.486 -2.611 5.049 1.00 1.80 H new ATOM 0 HE3 LYS A 110 22.747 -3.027 3.515 1.00 1.80 H new ATOM 0 HZ1 LYS A 110 24.883 -1.614 3.559 1.00 1.59 H new ATOM 0 HZ2 LYS A 110 23.645 -1.200 2.474 1.00 1.59 H new ATOM 0 HZ3 LYS A 110 23.843 -0.319 3.912 1.00 1.59 H new ATOM 596 N SER A 111 16.844 -0.897 5.933 1.00 0.51 N ATOM 597 CA SER A 111 15.730 -0.083 6.385 1.00 0.52 C ATOM 598 C SER A 111 14.447 -0.518 5.686 1.00 0.48 C ATOM 599 O SER A 111 14.429 -0.721 4.472 1.00 0.86 O ATOM 600 CB SER A 111 16.028 1.391 6.111 1.00 0.72 C ATOM 601 OG SER A 111 17.282 1.765 6.666 1.00 1.55 O ATOM 0 H SER A 111 17.420 -0.461 5.213 1.00 0.51 H new ATOM 0 HA SER A 111 15.594 -0.217 7.458 1.00 0.52 H new ATOM 0 HB2 SER A 111 16.033 1.572 5.036 1.00 0.72 H new ATOM 0 HB3 SER A 111 15.238 2.011 6.535 1.00 0.72 H new ATOM 0 HG SER A 111 17.454 2.711 6.478 1.00 1.55 H new ATOM 607 N LYS A 112 13.380 -0.662 6.456 1.00 0.39 N ATOM 608 CA LYS A 112 12.125 -1.179 5.930 1.00 0.32 C ATOM 609 C LYS A 112 11.235 -0.044 5.430 1.00 0.28 C ATOM 610 O LYS A 112 11.199 1.036 6.022 1.00 0.33 O ATOM 611 CB LYS A 112 11.389 -1.997 6.997 1.00 0.45 C ATOM 612 CG LYS A 112 12.215 -3.133 7.586 1.00 0.55 C ATOM 613 CD LYS A 112 11.374 -4.025 8.487 1.00 0.69 C ATOM 614 CE LYS A 112 12.200 -5.152 9.091 1.00 0.84 C ATOM 615 NZ LYS A 112 11.374 -6.072 9.921 1.00 1.53 N ATOM 0 H LYS A 112 13.357 -0.428 7.449 1.00 0.39 H new ATOM 0 HA LYS A 112 12.357 -1.831 5.088 1.00 0.32 H new ATOM 0 HB2 LYS A 112 11.080 -1.330 7.802 1.00 0.45 H new ATOM 0 HB3 LYS A 112 10.480 -2.411 6.560 1.00 0.45 H new ATOM 0 HG2 LYS A 112 12.643 -3.729 6.780 1.00 0.55 H new ATOM 0 HG3 LYS A 112 13.048 -2.721 8.155 1.00 0.55 H new ATOM 0 HD2 LYS A 112 10.936 -3.426 9.286 1.00 0.69 H new ATOM 0 HD3 LYS A 112 10.548 -4.446 7.914 1.00 0.69 H new ATOM 0 HE2 LYS A 112 12.679 -5.718 8.292 1.00 0.84 H new ATOM 0 HE3 LYS A 112 12.996 -4.729 9.703 1.00 0.84 H new ATOM 0 HZ1 LYS A 112 11.996 -6.730 10.433 1.00 1.53 H new ATOM 0 HZ2 LYS A 112 10.818 -5.519 10.604 1.00 1.53 H new ATOM 0 HZ3 LYS A 112 10.731 -6.611 9.307 1.00 1.53 H new ATOM 629 N TRP A 113 10.522 -0.299 4.336 1.00 0.24 N ATOM 630 CA TRP A 113 9.626 0.696 3.752 1.00 0.22 C ATOM 631 C TRP A 113 8.408 0.895 4.634 1.00 0.21 C ATOM 632 O TRP A 113 7.751 -0.072 5.029 1.00 0.25 O ATOM 633 CB TRP A 113 9.189 0.284 2.341 1.00 0.22 C ATOM 634 CG TRP A 113 10.251 0.485 1.302 1.00 0.23 C ATOM 635 CD1 TRP A 113 11.521 -0.005 1.331 1.00 0.24 C ATOM 636 CD2 TRP A 113 10.136 1.218 0.072 1.00 0.24 C ATOM 637 NE1 TRP A 113 12.205 0.383 0.210 1.00 0.25 N ATOM 638 CE2 TRP A 113 11.380 1.131 -0.579 1.00 0.25 C ATOM 639 CE3 TRP A 113 9.109 1.939 -0.543 1.00 0.28 C ATOM 640 CZ2 TRP A 113 11.628 1.733 -1.806 1.00 0.29 C ATOM 641 CZ3 TRP A 113 9.356 2.536 -1.767 1.00 0.32 C ATOM 642 CH2 TRP A 113 10.608 2.428 -2.387 1.00 0.32 C ATOM 0 H TRP A 113 10.547 -1.187 3.835 1.00 0.24 H new ATOM 0 HA TRP A 113 10.172 1.637 3.682 1.00 0.22 H new ATOM 0 HB2 TRP A 113 8.897 -0.766 2.352 1.00 0.22 H new ATOM 0 HB3 TRP A 113 8.305 0.858 2.061 1.00 0.22 H new ATOM 0 HD1 TRP A 113 11.930 -0.613 2.124 1.00 0.24 H new ATOM 0 HE1 TRP A 113 13.175 0.150 -0.001 1.00 0.25 H new ATOM 0 HE3 TRP A 113 8.141 2.029 -0.072 1.00 0.28 H new ATOM 0 HZ2 TRP A 113 12.594 1.654 -2.283 1.00 0.29 H new ATOM 0 HZ3 TRP A 113 8.570 3.095 -2.253 1.00 0.32 H new ATOM 0 HH2 TRP A 113 10.768 2.904 -3.343 1.00 0.32 H new ATOM 653 N LYS A 114 8.126 2.149 4.941 1.00 0.20 N ATOM 654 CA LYS A 114 7.015 2.501 5.801 1.00 0.24 C ATOM 655 C LYS A 114 5.750 2.648 4.971 1.00 0.20 C ATOM 656 O LYS A 114 5.729 3.382 3.979 1.00 0.24 O ATOM 657 CB LYS A 114 7.320 3.811 6.526 1.00 0.37 C ATOM 658 CG LYS A 114 6.377 4.114 7.677 1.00 0.58 C ATOM 659 CD LYS A 114 6.579 5.531 8.183 1.00 1.04 C ATOM 660 CE LYS A 114 5.651 5.865 9.339 1.00 1.08 C ATOM 661 NZ LYS A 114 6.060 5.191 10.597 1.00 1.66 N ATOM 0 H LYS A 114 8.660 2.948 4.601 1.00 0.20 H new ATOM 0 HA LYS A 114 6.866 1.713 6.539 1.00 0.24 H new ATOM 0 HB2 LYS A 114 8.341 3.775 6.906 1.00 0.37 H new ATOM 0 HB3 LYS A 114 7.276 4.630 5.808 1.00 0.37 H new ATOM 0 HG2 LYS A 114 5.345 3.983 7.351 1.00 0.58 H new ATOM 0 HG3 LYS A 114 6.547 3.406 8.488 1.00 0.58 H new ATOM 0 HD2 LYS A 114 7.614 5.657 8.502 1.00 1.04 H new ATOM 0 HD3 LYS A 114 6.409 6.234 7.368 1.00 1.04 H new ATOM 0 HE2 LYS A 114 5.639 6.944 9.494 1.00 1.08 H new ATOM 0 HE3 LYS A 114 4.634 5.569 9.084 1.00 1.08 H new ATOM 0 HZ1 LYS A 114 5.400 5.447 11.359 1.00 1.66 H new ATOM 0 HZ2 LYS A 114 6.047 4.160 10.459 1.00 1.66 H new ATOM 0 HZ3 LYS A 114 7.021 5.493 10.856 1.00 1.66 H new ATOM 675 N TRP A 115 4.702 1.948 5.370 1.00 0.17 N ATOM 676 CA TRP A 115 3.447 1.988 4.641 1.00 0.15 C ATOM 677 C TRP A 115 2.315 2.429 5.547 1.00 0.16 C ATOM 678 O TRP A 115 2.356 2.211 6.760 1.00 0.18 O ATOM 679 CB TRP A 115 3.117 0.619 4.038 1.00 0.15 C ATOM 680 CG TRP A 115 2.931 -0.469 5.056 1.00 0.16 C ATOM 681 CD1 TRP A 115 3.894 -1.300 5.536 1.00 0.19 C ATOM 682 CD2 TRP A 115 1.710 -0.857 5.706 1.00 0.17 C ATOM 683 NE1 TRP A 115 3.356 -2.173 6.449 1.00 0.22 N ATOM 684 CE2 TRP A 115 2.018 -1.923 6.570 1.00 0.20 C ATOM 685 CE3 TRP A 115 0.390 -0.405 5.644 1.00 0.18 C ATOM 686 CZ2 TRP A 115 1.060 -2.542 7.365 1.00 0.23 C ATOM 687 CZ3 TRP A 115 -0.563 -1.021 6.434 1.00 0.20 C ATOM 688 CH2 TRP A 115 -0.223 -2.080 7.284 1.00 0.22 C ATOM 0 H TRP A 115 4.695 1.346 6.193 1.00 0.17 H new ATOM 0 HA TRP A 115 3.559 2.710 3.832 1.00 0.15 H new ATOM 0 HB2 TRP A 115 2.208 0.705 3.443 1.00 0.15 H new ATOM 0 HB3 TRP A 115 3.917 0.331 3.356 1.00 0.15 H new ATOM 0 HD1 TRP A 115 4.933 -1.277 5.241 1.00 0.19 H new ATOM 0 HE1 TRP A 115 3.872 -2.892 6.955 1.00 0.22 H new ATOM 0 HE3 TRP A 115 0.119 0.411 4.991 1.00 0.18 H new ATOM 0 HZ2 TRP A 115 1.321 -3.358 8.023 1.00 0.23 H new ATOM 0 HZ3 TRP A 115 -1.587 -0.679 6.395 1.00 0.20 H new ATOM 0 HH2 TRP A 115 -0.991 -2.541 7.888 1.00 0.22 H new ATOM 699 N GLU A 116 1.318 3.057 4.951 1.00 0.17 N ATOM 700 CA GLU A 116 0.103 3.419 5.657 1.00 0.20 C ATOM 701 C GLU A 116 -1.100 3.126 4.777 1.00 0.19 C ATOM 702 O GLU A 116 -1.091 3.440 3.584 1.00 0.25 O ATOM 703 CB GLU A 116 0.097 4.906 6.008 1.00 0.32 C ATOM 704 CG GLU A 116 1.362 5.414 6.666 1.00 0.50 C ATOM 705 CD GLU A 116 1.316 6.910 6.860 1.00 0.64 C ATOM 706 OE1 GLU A 116 0.794 7.607 5.961 1.00 1.40 O ATOM 707 OE2 GLU A 116 1.798 7.397 7.901 1.00 1.22 O ATOM 0 H GLU A 116 1.327 3.329 3.968 1.00 0.17 H new ATOM 0 HA GLU A 116 0.057 2.835 6.576 1.00 0.20 H new ATOM 0 HB2 GLU A 116 -0.075 5.478 5.096 1.00 0.32 H new ATOM 0 HB3 GLU A 116 -0.744 5.104 6.672 1.00 0.32 H new ATOM 0 HG2 GLU A 116 1.495 4.924 7.631 1.00 0.50 H new ATOM 0 HG3 GLU A 116 2.224 5.151 6.053 1.00 0.50 H new ATOM 714 N LEU A 117 -2.128 2.527 5.347 1.00 0.17 N ATOM 715 CA LEU A 117 -3.376 2.358 4.631 1.00 0.16 C ATOM 716 C LEU A 117 -4.247 3.572 4.873 1.00 0.15 C ATOM 717 O LEU A 117 -4.508 3.937 6.019 1.00 0.19 O ATOM 718 CB LEU A 117 -4.126 1.105 5.068 1.00 0.19 C ATOM 719 CG LEU A 117 -5.409 0.843 4.275 1.00 0.21 C ATOM 720 CD1 LEU A 117 -5.098 0.321 2.886 1.00 0.22 C ATOM 721 CD2 LEU A 117 -6.309 -0.117 5.015 1.00 0.25 C ATOM 0 H LEU A 117 -2.124 2.152 6.296 1.00 0.17 H new ATOM 0 HA LEU A 117 -3.144 2.249 3.572 1.00 0.16 H new ATOM 0 HB2 LEU A 117 -3.465 0.244 4.967 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -4.375 1.193 6.125 1.00 0.19 H new ATOM 0 HG LEU A 117 -5.934 1.792 4.167 1.00 0.21 H new ATOM 0 HD11 LEU A 117 -6.029 0.144 2.347 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -4.500 1.056 2.347 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -4.541 -0.613 2.964 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -7.215 -0.289 4.433 1.00 0.25 H new ATOM 0 HD22 LEU A 117 -5.788 -1.063 5.163 1.00 0.25 H new ATOM 0 HD23 LEU A 117 -6.575 0.307 5.983 1.00 0.25 H new ATOM 733 N HIS A 118 -4.683 4.201 3.805 1.00 0.13 N ATOM 734 CA HIS A 118 -5.448 5.423 3.914 1.00 0.14 C ATOM 735 C HIS A 118 -6.874 5.228 3.457 1.00 0.18 C ATOM 736 O HIS A 118 -7.160 4.385 2.607 1.00 0.21 O ATOM 737 CB HIS A 118 -4.799 6.537 3.100 1.00 0.18 C ATOM 738 CG HIS A 118 -3.530 7.051 3.705 1.00 0.20 C ATOM 739 ND1 HIS A 118 -3.420 8.306 4.257 1.00 0.50 N ATOM 740 CD2 HIS A 118 -2.314 6.473 3.851 1.00 0.24 C ATOM 741 CE1 HIS A 118 -2.194 8.479 4.714 1.00 0.45 C ATOM 742 NE2 HIS A 118 -1.501 7.385 4.481 1.00 0.22 N ATOM 0 H HIS A 118 -4.521 3.886 2.849 1.00 0.13 H new ATOM 0 HA HIS A 118 -5.460 5.704 4.967 1.00 0.14 H new ATOM 0 HB2 HIS A 118 -4.591 6.169 2.095 1.00 0.18 H new ATOM 0 HB3 HIS A 118 -5.505 7.361 2.998 1.00 0.18 H new ATOM 0 HD2 HIS A 118 -2.035 5.480 3.532 1.00 0.24 H new ATOM 0 HE1 HIS A 118 -1.822 9.370 5.198 1.00 0.45 H new ATOM 0 HE2 HIS A 118 -0.522 7.238 4.727 1.00 0.22 H new ATOM 751 N LYS A 119 -7.756 6.009 4.046 1.00 0.22 N ATOM 752 CA LYS A 119 -9.138 6.070 3.621 1.00 0.29 C ATOM 753 C LYS A 119 -9.299 7.175 2.586 1.00 0.27 C ATOM 754 O LYS A 119 -8.950 8.331 2.842 1.00 0.43 O ATOM 755 CB LYS A 119 -10.049 6.339 4.821 1.00 0.43 C ATOM 756 CG LYS A 119 -11.513 6.477 4.449 1.00 0.70 C ATOM 757 CD LYS A 119 -12.142 5.130 4.144 1.00 0.84 C ATOM 758 CE LYS A 119 -13.473 5.288 3.430 1.00 1.04 C ATOM 759 NZ LYS A 119 -14.359 6.274 4.102 1.00 1.69 N ATOM 0 H LYS A 119 -7.534 6.619 4.833 1.00 0.22 H new ATOM 0 HA LYS A 119 -9.420 5.115 3.179 1.00 0.29 H new ATOM 0 HB2 LYS A 119 -9.940 5.527 5.540 1.00 0.43 H new ATOM 0 HB3 LYS A 119 -9.721 7.251 5.319 1.00 0.43 H new ATOM 0 HG2 LYS A 119 -12.053 6.955 5.267 1.00 0.70 H new ATOM 0 HG3 LYS A 119 -11.608 7.129 3.580 1.00 0.70 H new ATOM 0 HD2 LYS A 119 -11.464 4.542 3.526 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -12.289 4.577 5.072 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -13.296 5.603 2.402 1.00 1.04 H new ATOM 0 HE3 LYS A 119 -13.976 4.322 3.385 1.00 1.04 H new ATOM 0 HZ1 LYS A 119 -15.352 6.050 3.889 1.00 1.69 H new ATOM 0 HZ2 LYS A 119 -14.207 6.233 5.130 1.00 1.69 H new ATOM 0 HZ3 LYS A 119 -14.139 7.230 3.757 1.00 1.69 H new ATOM 773 N LEU A 120 -9.796 6.813 1.415 1.00 0.23 N ATOM 774 CA LEU A 120 -10.023 7.774 0.351 1.00 0.26 C ATOM 775 C LEU A 120 -11.523 7.903 0.110 1.00 0.34 C ATOM 776 O LEU A 120 -12.274 6.947 0.300 1.00 0.37 O ATOM 777 CB LEU A 120 -9.284 7.357 -0.936 1.00 0.24 C ATOM 778 CG LEU A 120 -7.743 7.370 -0.868 1.00 0.20 C ATOM 779 CD1 LEU A 120 -7.229 8.688 -0.306 1.00 0.25 C ATOM 780 CD2 LEU A 120 -7.213 6.203 -0.053 1.00 0.21 C ATOM 0 H LEU A 120 -10.051 5.854 1.177 1.00 0.23 H new ATOM 0 HA LEU A 120 -9.625 8.744 0.648 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -9.607 6.352 -1.207 1.00 0.24 H new ATOM 0 HB3 LEU A 120 -9.598 8.020 -1.742 1.00 0.24 H new ATOM 0 HG LEU A 120 -7.373 7.265 -1.888 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -6.140 8.668 -0.270 1.00 0.25 H new ATOM 0 HD12 LEU A 120 -7.556 9.508 -0.945 1.00 0.25 H new ATOM 0 HD13 LEU A 120 -7.623 8.833 0.700 1.00 0.25 H new ATOM 0 HD21 LEU A 120 -6.124 6.243 -0.026 1.00 0.21 H new ATOM 0 HD22 LEU A 120 -7.604 6.261 0.963 1.00 0.21 H new ATOM 0 HD23 LEU A 120 -7.530 5.266 -0.510 1.00 0.21 H new ATOM 792 N GLU A 121 -11.964 9.083 -0.292 1.00 0.46 N ATOM 793 CA GLU A 121 -13.389 9.370 -0.344 1.00 0.57 C ATOM 794 C GLU A 121 -13.940 9.391 -1.772 1.00 0.58 C ATOM 795 O GLU A 121 -15.154 9.318 -1.963 1.00 0.69 O ATOM 796 CB GLU A 121 -13.673 10.701 0.351 1.00 0.70 C ATOM 797 CG GLU A 121 -13.300 10.713 1.827 1.00 0.80 C ATOM 798 CD GLU A 121 -14.190 9.822 2.671 1.00 1.63 C ATOM 799 OE1 GLU A 121 -13.698 8.816 3.221 1.00 2.36 O ATOM 800 OE2 GLU A 121 -15.397 10.131 2.796 1.00 2.22 O ATOM 0 H GLU A 121 -11.362 9.853 -0.585 1.00 0.46 H new ATOM 0 HA GLU A 121 -13.900 8.560 0.177 1.00 0.57 H new ATOM 0 HB2 GLU A 121 -13.124 11.492 -0.160 1.00 0.70 H new ATOM 0 HB3 GLU A 121 -14.733 10.934 0.251 1.00 0.70 H new ATOM 0 HG2 GLU A 121 -12.264 10.391 1.937 1.00 0.80 H new ATOM 0 HG3 GLU A 121 -13.358 11.735 2.202 1.00 0.80 H new ATOM 807 N ASN A 122 -13.073 9.485 -2.777 1.00 0.53 N ATOM 808 CA ASN A 122 -13.551 9.514 -4.163 1.00 0.60 C ATOM 809 C ASN A 122 -12.699 8.643 -5.084 1.00 0.62 C ATOM 810 O ASN A 122 -13.217 8.063 -6.041 1.00 1.22 O ATOM 811 CB ASN A 122 -13.634 10.950 -4.716 1.00 0.73 C ATOM 812 CG ASN A 122 -12.289 11.648 -4.807 1.00 1.03 C ATOM 813 OD1 ASN A 122 -11.558 11.478 -5.778 1.00 1.16 O ATOM 814 ND2 ASN A 122 -11.969 12.467 -3.820 1.00 1.87 N ATOM 0 H ASN A 122 -12.061 9.541 -2.667 1.00 0.53 H new ATOM 0 HA ASN A 122 -14.559 9.099 -4.143 1.00 0.60 H new ATOM 0 HB2 ASN A 122 -14.087 10.923 -5.707 1.00 0.73 H new ATOM 0 HB3 ASN A 122 -14.296 11.537 -4.079 1.00 0.73 H new ATOM 0 HD21 ASN A 122 -11.089 12.983 -3.850 1.00 1.87 H new ATOM 0 HD22 ASN A 122 -12.602 12.583 -3.028 1.00 1.87 H new ATOM 821 N ALA A 123 -11.396 8.567 -4.796 1.00 0.67 N ATOM 822 CA ALA A 123 -10.460 7.712 -5.546 1.00 0.66 C ATOM 823 C ALA A 123 -10.230 8.202 -6.974 1.00 0.71 C ATOM 824 O ALA A 123 -9.507 7.569 -7.746 1.00 0.90 O ATOM 825 CB ALA A 123 -10.945 6.271 -5.571 1.00 0.69 C ATOM 0 H ALA A 123 -10.958 9.093 -4.040 1.00 0.67 H new ATOM 0 HA ALA A 123 -9.506 7.767 -5.021 1.00 0.66 H new ATOM 0 HB1 ALA A 123 -10.238 5.659 -6.130 1.00 0.69 H new ATOM 0 HB2 ALA A 123 -11.022 5.895 -4.551 1.00 0.69 H new ATOM 0 HB3 ALA A 123 -11.923 6.225 -6.050 1.00 0.69 H new ATOM 831 N ARG A 124 -10.829 9.328 -7.312 1.00 0.72 N ATOM 832 CA ARG A 124 -10.772 9.862 -8.668 1.00 0.83 C ATOM 833 C ARG A 124 -9.738 10.975 -8.759 1.00 0.75 C ATOM 834 O ARG A 124 -9.058 11.132 -9.771 1.00 0.86 O ATOM 835 CB ARG A 124 -12.153 10.377 -9.069 1.00 1.08 C ATOM 836 CG ARG A 124 -13.206 9.283 -9.103 1.00 1.37 C ATOM 837 CD ARG A 124 -14.612 9.852 -9.159 1.00 1.63 C ATOM 838 NE ARG A 124 -14.866 10.598 -10.389 1.00 2.28 N ATOM 839 CZ ARG A 124 -16.082 10.955 -10.793 1.00 2.84 C ATOM 840 NH1 ARG A 124 -17.145 10.621 -10.069 1.00 2.76 N ATOM 841 NH2 ARG A 124 -16.237 11.638 -11.921 1.00 3.84 N ATOM 0 H ARG A 124 -11.368 9.899 -6.661 1.00 0.72 H new ATOM 0 HA ARG A 124 -10.474 9.069 -9.354 1.00 0.83 H new ATOM 0 HB2 ARG A 124 -12.464 11.152 -8.368 1.00 1.08 H new ATOM 0 HB3 ARG A 124 -12.090 10.844 -10.052 1.00 1.08 H new ATOM 0 HG2 ARG A 124 -13.038 8.644 -9.970 1.00 1.37 H new ATOM 0 HG3 ARG A 124 -13.104 8.653 -8.219 1.00 1.37 H new ATOM 0 HD2 ARG A 124 -15.333 9.039 -9.076 1.00 1.63 H new ATOM 0 HD3 ARG A 124 -14.770 10.507 -8.302 1.00 1.63 H new ATOM 0 HE ARG A 124 -14.068 10.859 -10.969 1.00 2.28 H new ATOM 0 HH11 ARG A 124 -17.028 10.092 -9.205 1.00 2.76 H new ATOM 0 HH12 ARG A 124 -18.078 10.894 -10.377 1.00 2.76 H new ATOM 0 HH21 ARG A 124 -15.422 11.890 -12.480 1.00 3.84 H new ATOM 0 HH22 ARG A 124 -17.171 11.910 -12.228 1.00 3.84 H new ATOM 855 N LYS A 125 -9.632 11.737 -7.687 1.00 0.75 N ATOM 856 CA LYS A 125 -8.626 12.779 -7.573 1.00 0.68 C ATOM 857 C LYS A 125 -7.346 12.174 -7.017 1.00 0.55 C ATOM 858 O LYS A 125 -7.381 11.060 -6.483 1.00 0.53 O ATOM 859 CB LYS A 125 -9.131 13.900 -6.652 1.00 0.79 C ATOM 860 CG LYS A 125 -10.438 14.531 -7.108 1.00 0.93 C ATOM 861 CD LYS A 125 -10.345 15.041 -8.535 1.00 1.64 C ATOM 862 CE LYS A 125 -11.638 15.704 -8.970 1.00 1.90 C ATOM 863 NZ LYS A 125 -11.583 16.149 -10.386 1.00 2.26 N ATOM 0 H LYS A 125 -10.239 11.652 -6.872 1.00 0.75 H new ATOM 0 HA LYS A 125 -8.427 13.206 -8.556 1.00 0.68 H new ATOM 0 HB2 LYS A 125 -9.264 13.499 -5.647 1.00 0.79 H new ATOM 0 HB3 LYS A 125 -8.368 14.675 -6.588 1.00 0.79 H new ATOM 0 HG2 LYS A 125 -11.241 13.798 -7.035 1.00 0.93 H new ATOM 0 HG3 LYS A 125 -10.696 15.355 -6.443 1.00 0.93 H new ATOM 0 HD2 LYS A 125 -9.524 15.753 -8.616 1.00 1.64 H new ATOM 0 HD3 LYS A 125 -10.116 14.212 -9.205 1.00 1.64 H new ATOM 0 HE2 LYS A 125 -12.465 15.006 -8.841 1.00 1.90 H new ATOM 0 HE3 LYS A 125 -11.841 16.561 -8.328 1.00 1.90 H new ATOM 0 HZ1 LYS A 125 -12.485 16.597 -10.644 1.00 2.26 H new ATOM 0 HZ2 LYS A 125 -10.810 16.834 -10.505 1.00 2.26 H new ATOM 0 HZ3 LYS A 125 -11.415 15.328 -11.002 1.00 2.26 H new ATOM 877 N PRO A 126 -6.198 12.858 -7.161 1.00 0.51 N ATOM 878 CA PRO A 126 -4.939 12.404 -6.572 1.00 0.45 C ATOM 879 C PRO A 126 -5.125 12.030 -5.109 1.00 0.39 C ATOM 880 O PRO A 126 -5.695 12.799 -4.332 1.00 0.47 O ATOM 881 CB PRO A 126 -4.004 13.618 -6.705 1.00 0.51 C ATOM 882 CG PRO A 126 -4.874 14.748 -7.153 1.00 0.59 C ATOM 883 CD PRO A 126 -6.019 14.117 -7.891 1.00 0.60 C ATOM 0 HA PRO A 126 -4.548 11.514 -7.064 1.00 0.45 H new ATOM 0 HB2 PRO A 126 -3.522 13.847 -5.755 1.00 0.51 H new ATOM 0 HB3 PRO A 126 -3.210 13.424 -7.427 1.00 0.51 H new ATOM 0 HG2 PRO A 126 -5.230 15.328 -6.302 1.00 0.59 H new ATOM 0 HG3 PRO A 126 -4.324 15.433 -7.798 1.00 0.59 H new ATOM 0 HD2 PRO A 126 -6.915 14.737 -7.860 1.00 0.60 H new ATOM 0 HD3 PRO A 126 -5.784 13.949 -8.942 1.00 0.60 H new ATOM 891 N LEU A 127 -4.673 10.844 -4.740 1.00 0.32 N ATOM 892 CA LEU A 127 -4.897 10.341 -3.397 1.00 0.26 C ATOM 893 C LEU A 127 -4.131 11.175 -2.386 1.00 0.29 C ATOM 894 O LEU A 127 -3.051 11.686 -2.677 1.00 0.37 O ATOM 895 CB LEU A 127 -4.496 8.870 -3.300 1.00 0.24 C ATOM 896 CG LEU A 127 -5.120 7.951 -4.357 1.00 0.26 C ATOM 897 CD1 LEU A 127 -4.841 6.497 -4.025 1.00 0.26 C ATOM 898 CD2 LEU A 127 -6.617 8.196 -4.484 1.00 0.27 C ATOM 0 H LEU A 127 -4.151 10.214 -5.349 1.00 0.32 H new ATOM 0 HA LEU A 127 -5.961 10.418 -3.171 1.00 0.26 H new ATOM 0 HB2 LEU A 127 -3.411 8.800 -3.376 1.00 0.24 H new ATOM 0 HB3 LEU A 127 -4.771 8.500 -2.312 1.00 0.24 H new ATOM 0 HG LEU A 127 -4.662 8.182 -5.319 1.00 0.26 H new ATOM 0 HD11 LEU A 127 -5.291 5.858 -4.785 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -3.764 6.330 -4.001 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -5.268 6.258 -3.051 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -7.032 7.530 -5.241 1.00 0.27 H new ATOM 0 HD22 LEU A 127 -7.100 8.002 -3.526 1.00 0.27 H new ATOM 0 HD23 LEU A 127 -6.793 9.231 -4.776 1.00 0.27 H new ATOM 910 N LYS A 128 -4.696 11.316 -1.202 1.00 0.29 N ATOM 911 CA LYS A 128 -4.143 12.208 -0.201 1.00 0.36 C ATOM 912 C LYS A 128 -3.922 11.502 1.129 1.00 0.26 C ATOM 913 O LYS A 128 -4.550 10.485 1.427 1.00 0.23 O ATOM 914 CB LYS A 128 -5.070 13.404 0.001 1.00 0.51 C ATOM 915 CG LYS A 128 -6.471 13.022 0.449 1.00 1.10 C ATOM 916 CD LYS A 128 -7.320 14.253 0.705 1.00 1.37 C ATOM 917 CE LYS A 128 -8.723 13.882 1.148 1.00 1.80 C ATOM 918 NZ LYS A 128 -9.550 15.086 1.421 1.00 2.27 N ATOM 0 H LYS A 128 -5.540 10.823 -0.909 1.00 0.29 H new ATOM 0 HA LYS A 128 -3.173 12.548 -0.564 1.00 0.36 H new ATOM 0 HB2 LYS A 128 -4.631 14.072 0.742 1.00 0.51 H new ATOM 0 HB3 LYS A 128 -5.136 13.963 -0.932 1.00 0.51 H new ATOM 0 HG2 LYS A 128 -6.944 12.403 -0.314 1.00 1.10 H new ATOM 0 HG3 LYS A 128 -6.414 12.421 1.357 1.00 1.10 H new ATOM 0 HD2 LYS A 128 -6.847 14.869 1.470 1.00 1.37 H new ATOM 0 HD3 LYS A 128 -7.372 14.855 -0.202 1.00 1.37 H new ATOM 0 HE2 LYS A 128 -9.201 13.280 0.375 1.00 1.80 H new ATOM 0 HE3 LYS A 128 -8.670 13.266 2.046 1.00 1.80 H new ATOM 0 HZ1 LYS A 128 -10.502 14.793 1.721 1.00 2.27 H new ATOM 0 HZ2 LYS A 128 -9.107 15.648 2.176 1.00 2.27 H new ATOM 0 HZ3 LYS A 128 -9.621 15.661 0.558 1.00 2.27 H new ATOM 932 N ASP A 129 -3.015 12.060 1.910 1.00 0.32 N ATOM 933 CA ASP A 129 -2.699 11.565 3.240 1.00 0.39 C ATOM 934 C ASP A 129 -3.537 12.297 4.285 1.00 0.45 C ATOM 935 O ASP A 129 -4.171 13.309 3.983 1.00 0.51 O ATOM 936 CB ASP A 129 -1.207 11.743 3.544 1.00 0.59 C ATOM 937 CG ASP A 129 -0.816 13.186 3.790 1.00 1.00 C ATOM 938 OD1 ASP A 129 -0.930 14.005 2.857 1.00 1.56 O ATOM 939 OD2 ASP A 129 -0.374 13.502 4.914 1.00 1.88 O ATOM 0 H ASP A 129 -2.471 12.878 1.637 1.00 0.32 H new ATOM 0 HA ASP A 129 -2.934 10.501 3.276 1.00 0.39 H new ATOM 0 HB2 ASP A 129 -0.948 11.149 4.420 1.00 0.59 H new ATOM 0 HB3 ASP A 129 -0.624 11.352 2.710 1.00 0.59 H new ATOM 944 N GLY A 130 -3.548 11.777 5.502 1.00 0.51 N ATOM 945 CA GLY A 130 -4.310 12.393 6.571 1.00 0.62 C ATOM 946 C GLY A 130 -5.258 11.424 7.247 1.00 0.60 C ATOM 947 O GLY A 130 -5.412 11.454 8.467 1.00 0.75 O ATOM 0 H GLY A 130 -3.040 10.934 5.771 1.00 0.51 H new ATOM 0 HA2 GLY A 130 -3.623 12.800 7.313 1.00 0.62 H new ATOM 0 HA3 GLY A 130 -4.879 13.231 6.169 1.00 0.62 H new ATOM 951 N ASN A 131 -5.886 10.554 6.475 1.00 0.47 N ATOM 952 CA ASN A 131 -6.718 9.512 7.052 1.00 0.46 C ATOM 953 C ASN A 131 -6.015 8.173 6.938 1.00 0.40 C ATOM 954 O ASN A 131 -5.926 7.601 5.856 1.00 0.46 O ATOM 955 CB ASN A 131 -8.083 9.446 6.365 1.00 0.51 C ATOM 956 CG ASN A 131 -8.975 10.617 6.723 1.00 1.32 C ATOM 957 OD1 ASN A 131 -9.749 10.554 7.678 1.00 2.28 O ATOM 958 ND2 ASN A 131 -8.870 11.699 5.967 1.00 1.45 N ATOM 0 H ASN A 131 -5.837 10.547 5.456 1.00 0.47 H new ATOM 0 HA ASN A 131 -6.882 9.750 8.103 1.00 0.46 H new ATOM 0 HB2 ASN A 131 -7.941 9.420 5.285 1.00 0.51 H new ATOM 0 HB3 ASN A 131 -8.581 8.517 6.643 1.00 0.51 H new ATOM 0 HD21 ASN A 131 -9.443 12.519 6.168 1.00 1.45 H new ATOM 0 HD22 ASN A 131 -8.217 11.713 5.184 1.00 1.45 H new ATOM 965 N VAL A 132 -5.516 7.681 8.055 1.00 0.36 N ATOM 966 CA VAL A 132 -4.775 6.434 8.076 1.00 0.31 C ATOM 967 C VAL A 132 -5.441 5.438 9.013 1.00 0.28 C ATOM 968 O VAL A 132 -5.849 5.782 10.124 1.00 0.35 O ATOM 969 CB VAL A 132 -3.299 6.658 8.485 1.00 0.35 C ATOM 970 CG1 VAL A 132 -3.202 7.386 9.813 1.00 0.73 C ATOM 971 CG2 VAL A 132 -2.543 5.338 8.544 1.00 0.71 C ATOM 0 H VAL A 132 -5.611 8.129 8.966 1.00 0.36 H new ATOM 0 HA VAL A 132 -4.781 6.026 7.065 1.00 0.31 H new ATOM 0 HB VAL A 132 -2.837 7.284 7.721 1.00 0.35 H new ATOM 0 HG11 VAL A 132 -2.153 7.529 10.074 1.00 0.73 H new ATOM 0 HG12 VAL A 132 -3.691 8.357 9.732 1.00 0.73 H new ATOM 0 HG13 VAL A 132 -3.692 6.796 10.588 1.00 0.73 H new ATOM 0 HG21 VAL A 132 -1.509 5.524 8.834 1.00 0.71 H new ATOM 0 HG22 VAL A 132 -3.013 4.682 9.277 1.00 0.71 H new ATOM 0 HG23 VAL A 132 -2.565 4.862 7.564 1.00 0.71 H new ATOM 981 N ILE A 133 -5.571 4.210 8.544 1.00 0.23 N ATOM 982 CA ILE A 133 -6.245 3.172 9.300 1.00 0.26 C ATOM 983 C ILE A 133 -5.226 2.272 9.988 1.00 0.28 C ATOM 984 O ILE A 133 -5.307 2.025 11.192 1.00 0.38 O ATOM 985 CB ILE A 133 -7.145 2.318 8.385 1.00 0.31 C ATOM 986 CG1 ILE A 133 -7.982 3.209 7.456 1.00 0.34 C ATOM 987 CG2 ILE A 133 -8.050 1.428 9.220 1.00 0.38 C ATOM 988 CD1 ILE A 133 -8.937 4.132 8.183 1.00 0.35 C ATOM 0 H ILE A 133 -5.216 3.907 7.637 1.00 0.23 H new ATOM 0 HA ILE A 133 -6.868 3.658 10.051 1.00 0.26 H new ATOM 0 HB ILE A 133 -6.505 1.688 7.767 1.00 0.31 H new ATOM 0 HG12 ILE A 133 -7.310 3.809 6.842 1.00 0.34 H new ATOM 0 HG13 ILE A 133 -8.552 2.574 6.778 1.00 0.34 H new ATOM 0 HG21 ILE A 133 -8.680 0.830 8.562 1.00 0.38 H new ATOM 0 HG22 ILE A 133 -7.441 0.768 9.838 1.00 0.38 H new ATOM 0 HG23 ILE A 133 -8.678 2.047 9.860 1.00 0.38 H new ATOM 0 HD11 ILE A 133 -9.491 4.727 7.457 1.00 0.35 H new ATOM 0 HD12 ILE A 133 -9.635 3.540 8.775 1.00 0.35 H new ATOM 0 HD13 ILE A 133 -8.374 4.794 8.841 1.00 0.35 H new ATOM 1000 N GLU A 134 -4.259 1.800 9.212 1.00 0.25 N ATOM 1001 CA GLU A 134 -3.179 0.965 9.720 1.00 0.30 C ATOM 1002 C GLU A 134 -1.875 1.368 9.051 1.00 0.23 C ATOM 1003 O GLU A 134 -1.886 1.889 7.937 1.00 0.21 O ATOM 1004 CB GLU A 134 -3.450 -0.524 9.468 1.00 0.43 C ATOM 1005 CG GLU A 134 -4.612 -1.089 10.269 1.00 0.63 C ATOM 1006 CD GLU A 134 -4.676 -2.602 10.221 1.00 0.74 C ATOM 1007 OE1 GLU A 134 -5.735 -3.152 9.861 1.00 1.50 O ATOM 1008 OE2 GLU A 134 -3.670 -3.253 10.570 1.00 1.42 O ATOM 0 H GLU A 134 -4.202 1.986 8.211 1.00 0.25 H new ATOM 0 HA GLU A 134 -3.111 1.114 10.798 1.00 0.30 H new ATOM 0 HB2 GLU A 134 -3.649 -0.671 8.407 1.00 0.43 H new ATOM 0 HB3 GLU A 134 -2.550 -1.091 9.705 1.00 0.43 H new ATOM 0 HG2 GLU A 134 -4.524 -0.766 11.306 1.00 0.63 H new ATOM 0 HG3 GLU A 134 -5.546 -0.678 9.886 1.00 0.63 H new ATOM 1015 N LYS A 135 -0.763 1.138 9.728 1.00 0.28 N ATOM 1016 CA LYS A 135 0.546 1.490 9.193 1.00 0.25 C ATOM 1017 C LYS A 135 1.635 0.619 9.800 1.00 0.27 C ATOM 1018 O LYS A 135 1.450 0.032 10.866 1.00 0.34 O ATOM 1019 CB LYS A 135 0.853 2.971 9.442 1.00 0.32 C ATOM 1020 CG LYS A 135 0.600 3.423 10.870 1.00 0.56 C ATOM 1021 CD LYS A 135 1.052 4.858 11.081 1.00 0.62 C ATOM 1022 CE LYS A 135 0.750 5.342 12.491 1.00 0.74 C ATOM 1023 NZ LYS A 135 1.478 4.559 13.526 1.00 1.53 N ATOM 0 H LYS A 135 -0.738 0.708 10.652 1.00 0.28 H new ATOM 0 HA LYS A 135 0.525 1.314 8.117 1.00 0.25 H new ATOM 0 HB2 LYS A 135 1.896 3.162 9.191 1.00 0.32 H new ATOM 0 HB3 LYS A 135 0.247 3.576 8.768 1.00 0.32 H new ATOM 0 HG2 LYS A 135 -0.462 3.336 11.099 1.00 0.56 H new ATOM 0 HG3 LYS A 135 1.129 2.767 11.561 1.00 0.56 H new ATOM 0 HD2 LYS A 135 2.123 4.934 10.892 1.00 0.62 H new ATOM 0 HD3 LYS A 135 0.554 5.506 10.360 1.00 0.62 H new ATOM 0 HE2 LYS A 135 1.021 6.394 12.577 1.00 0.74 H new ATOM 0 HE3 LYS A 135 -0.322 5.273 12.674 1.00 0.74 H new ATOM 0 HZ1 LYS A 135 1.363 5.017 14.453 1.00 1.53 H new ATOM 0 HZ2 LYS A 135 1.092 3.594 13.566 1.00 1.53 H new ATOM 0 HZ3 LYS A 135 2.488 4.518 13.283 1.00 1.53 H new ATOM 1037 N GLY A 136 2.766 0.539 9.114 1.00 0.30 N ATOM 1038 CA GLY A 136 3.872 -0.264 9.592 1.00 0.38 C ATOM 1039 C GLY A 136 5.001 -0.322 8.592 1.00 0.34 C ATOM 1040 O GLY A 136 5.214 0.627 7.835 1.00 0.29 O ATOM 0 H GLY A 136 2.937 1.019 8.230 1.00 0.30 H new ATOM 0 HA2 GLY A 136 4.240 0.148 10.531 1.00 0.38 H new ATOM 0 HA3 GLY A 136 3.522 -1.275 9.803 1.00 0.38 H new ATOM 1044 N PHE A 137 5.713 -1.436 8.579 1.00 0.38 N ATOM 1045 CA PHE A 137 6.797 -1.649 7.634 1.00 0.32 C ATOM 1046 C PHE A 137 6.507 -2.896 6.812 1.00 0.33 C ATOM 1047 O PHE A 137 5.753 -3.760 7.262 1.00 0.46 O ATOM 1048 CB PHE A 137 8.132 -1.798 8.366 1.00 0.42 C ATOM 1049 CG PHE A 137 8.524 -0.586 9.166 1.00 1.07 C ATOM 1050 CD1 PHE A 137 9.108 0.510 8.551 1.00 2.05 C ATOM 1051 CD2 PHE A 137 8.308 -0.542 10.536 1.00 1.81 C ATOM 1052 CE1 PHE A 137 9.467 1.623 9.282 1.00 2.86 C ATOM 1053 CE2 PHE A 137 8.666 0.570 11.272 1.00 2.60 C ATOM 1054 CZ PHE A 137 9.246 1.654 10.645 1.00 2.93 C ATOM 0 H PHE A 137 5.558 -2.215 9.219 1.00 0.38 H new ATOM 0 HA PHE A 137 6.868 -0.784 6.974 1.00 0.32 H new ATOM 0 HB2 PHE A 137 8.076 -2.659 9.032 1.00 0.42 H new ATOM 0 HB3 PHE A 137 8.914 -2.009 7.637 1.00 0.42 H new ATOM 0 HD1 PHE A 137 9.284 0.492 7.486 1.00 2.05 H new ATOM 0 HD2 PHE A 137 7.855 -1.387 11.032 1.00 1.81 H new ATOM 0 HE1 PHE A 137 9.921 2.470 8.789 1.00 2.86 H new ATOM 0 HE2 PHE A 137 8.492 0.591 12.338 1.00 2.60 H new ATOM 0 HZ PHE A 137 9.527 2.525 11.219 1.00 2.93 H new ATOM 1064 N VAL A 138 7.067 -2.990 5.612 1.00 0.27 N ATOM 1065 CA VAL A 138 6.743 -4.106 4.724 1.00 0.41 C ATOM 1066 C VAL A 138 7.163 -5.450 5.325 1.00 0.70 C ATOM 1067 O VAL A 138 6.308 -6.230 5.746 1.00 1.41 O ATOM 1068 CB VAL A 138 7.378 -3.924 3.328 1.00 0.53 C ATOM 1069 CG1 VAL A 138 7.097 -5.125 2.445 1.00 0.76 C ATOM 1070 CG2 VAL A 138 6.861 -2.659 2.664 1.00 0.48 C ATOM 0 H VAL A 138 7.737 -2.321 5.233 1.00 0.27 H new ATOM 0 HA VAL A 138 5.659 -4.110 4.609 1.00 0.41 H new ATOM 0 HB VAL A 138 8.456 -3.835 3.461 1.00 0.53 H new ATOM 0 HG11 VAL A 138 7.554 -4.973 1.467 1.00 0.76 H new ATOM 0 HG12 VAL A 138 7.514 -6.021 2.905 1.00 0.76 H new ATOM 0 HG13 VAL A 138 6.020 -5.246 2.327 1.00 0.76 H new ATOM 0 HG21 VAL A 138 7.321 -2.550 1.682 1.00 0.48 H new ATOM 0 HG22 VAL A 138 5.779 -2.723 2.553 1.00 0.48 H new ATOM 0 HG23 VAL A 138 7.112 -1.796 3.280 1.00 0.48 H new ATOM 1080 N SER A 139 8.476 -5.683 5.395 1.00 0.32 N ATOM 1081 CA SER A 139 9.060 -6.854 6.065 1.00 0.51 C ATOM 1082 C SER A 139 8.711 -8.198 5.383 1.00 0.39 C ATOM 1083 O SER A 139 9.614 -8.948 5.007 1.00 1.13 O ATOM 1084 CB SER A 139 8.636 -6.880 7.539 1.00 1.03 C ATOM 1085 OG SER A 139 9.547 -7.632 8.325 1.00 1.68 O ATOM 0 H SER A 139 9.172 -5.060 4.985 1.00 0.32 H new ATOM 0 HA SER A 139 10.142 -6.747 5.988 1.00 0.51 H new ATOM 0 HB2 SER A 139 8.578 -5.861 7.921 1.00 1.03 H new ATOM 0 HB3 SER A 139 7.638 -7.309 7.625 1.00 1.03 H new ATOM 0 HG SER A 139 9.174 -7.765 9.221 1.00 1.68 H new ATOM 1091 N ASN A 140 7.417 -8.488 5.229 1.00 0.51 N ATOM 1092 CA ASN A 140 6.943 -9.802 4.774 1.00 0.34 C ATOM 1093 C ASN A 140 7.509 -10.191 3.409 1.00 0.27 C ATOM 1094 O ASN A 140 7.460 -9.416 2.453 1.00 0.37 O ATOM 1095 CB ASN A 140 5.411 -9.823 4.731 1.00 0.37 C ATOM 1096 CG ASN A 140 4.851 -11.165 4.292 1.00 0.38 C ATOM 1097 OD1 ASN A 140 4.640 -11.406 3.105 1.00 0.94 O ATOM 1098 ND2 ASN A 140 4.597 -12.046 5.244 1.00 0.88 N ATOM 0 H ASN A 140 6.668 -7.822 5.415 1.00 0.51 H new ATOM 0 HA ASN A 140 7.303 -10.538 5.493 1.00 0.34 H new ATOM 0 HB2 ASN A 140 5.021 -9.578 5.719 1.00 0.37 H new ATOM 0 HB3 ASN A 140 5.061 -9.048 4.049 1.00 0.37 H new ATOM 0 HD21 ASN A 140 4.213 -12.960 5.004 1.00 0.88 H new ATOM 0 HD22 ASN A 140 4.785 -11.812 6.219 1.00 0.88 H new ATOM 1105 N GLN A 141 8.021 -11.415 3.331 1.00 0.35 N ATOM 1106 CA GLN A 141 8.667 -11.923 2.127 1.00 0.32 C ATOM 1107 C GLN A 141 7.850 -13.067 1.518 1.00 0.30 C ATOM 1108 O GLN A 141 7.887 -14.195 2.016 1.00 0.36 O ATOM 1109 CB GLN A 141 10.069 -12.434 2.479 1.00 0.39 C ATOM 1110 CG GLN A 141 10.937 -12.765 1.275 1.00 0.39 C ATOM 1111 CD GLN A 141 11.646 -11.547 0.721 1.00 0.52 C ATOM 1112 OE1 GLN A 141 12.766 -11.235 1.121 1.00 0.69 O ATOM 1113 NE2 GLN A 141 11.005 -10.848 -0.200 1.00 0.63 N ATOM 0 H GLN A 141 7.999 -12.083 4.102 1.00 0.35 H new ATOM 0 HA GLN A 141 8.736 -11.114 1.399 1.00 0.32 H new ATOM 0 HB2 GLN A 141 10.576 -11.681 3.081 1.00 0.39 H new ATOM 0 HB3 GLN A 141 9.973 -13.326 3.098 1.00 0.39 H new ATOM 0 HG2 GLN A 141 11.676 -13.514 1.559 1.00 0.39 H new ATOM 0 HG3 GLN A 141 10.318 -13.207 0.495 1.00 0.39 H new ATOM 0 HE21 GLN A 141 10.077 -11.139 -0.506 1.00 0.63 H new ATOM 0 HE22 GLN A 141 11.439 -10.018 -0.604 1.00 0.63 H new ATOM 1122 N ILE A 142 7.115 -12.782 0.448 1.00 0.25 N ATOM 1123 CA ILE A 142 6.330 -13.819 -0.228 1.00 0.27 C ATOM 1124 C ILE A 142 7.102 -14.427 -1.397 1.00 0.30 C ATOM 1125 O ILE A 142 6.679 -15.418 -1.993 1.00 0.37 O ATOM 1126 CB ILE A 142 4.965 -13.297 -0.730 1.00 0.27 C ATOM 1127 CG1 ILE A 142 5.134 -12.078 -1.643 1.00 0.24 C ATOM 1128 CG2 ILE A 142 4.072 -12.959 0.448 1.00 0.29 C ATOM 1129 CD1 ILE A 142 3.839 -11.618 -2.281 1.00 0.26 C ATOM 0 H ILE A 142 7.044 -11.854 0.031 1.00 0.25 H new ATOM 0 HA ILE A 142 6.142 -14.589 0.520 1.00 0.27 H new ATOM 0 HB ILE A 142 4.495 -14.086 -1.317 1.00 0.27 H new ATOM 0 HG12 ILE A 142 5.557 -11.257 -1.065 1.00 0.24 H new ATOM 0 HG13 ILE A 142 5.851 -12.318 -2.428 1.00 0.24 H new ATOM 0 HG21 ILE A 142 3.112 -12.592 0.084 1.00 0.29 H new ATOM 0 HG22 ILE A 142 3.913 -13.852 1.052 1.00 0.29 H new ATOM 0 HG23 ILE A 142 4.548 -12.189 1.056 1.00 0.29 H new ATOM 0 HD11 ILE A 142 4.033 -10.752 -2.914 1.00 0.26 H new ATOM 0 HD12 ILE A 142 3.425 -12.424 -2.886 1.00 0.26 H new ATOM 0 HD13 ILE A 142 3.126 -11.346 -1.502 1.00 0.26 H new ATOM 1141 N GLY A 143 8.228 -13.821 -1.720 1.00 0.28 N ATOM 1142 CA GLY A 143 9.110 -14.356 -2.740 1.00 0.34 C ATOM 1143 C GLY A 143 10.468 -13.713 -2.636 1.00 0.40 C ATOM 1144 O GLY A 143 10.578 -12.644 -2.053 1.00 0.53 O ATOM 0 H GLY A 143 8.555 -12.956 -1.290 1.00 0.28 H new ATOM 0 HA2 GLY A 143 9.200 -15.436 -2.624 1.00 0.34 H new ATOM 0 HA3 GLY A 143 8.688 -14.175 -3.729 1.00 0.34 H new ATOM 1148 N ASP A 144 11.494 -14.339 -3.196 1.00 0.48 N ATOM 1149 CA ASP A 144 12.865 -13.835 -3.065 1.00 0.56 C ATOM 1150 C ASP A 144 12.975 -12.389 -3.547 1.00 0.48 C ATOM 1151 O ASP A 144 13.779 -11.610 -3.031 1.00 0.56 O ATOM 1152 CB ASP A 144 13.840 -14.724 -3.836 1.00 0.70 C ATOM 1153 CG ASP A 144 15.286 -14.325 -3.615 1.00 1.63 C ATOM 1154 OD1 ASP A 144 15.801 -14.540 -2.497 1.00 2.49 O ATOM 1155 OD2 ASP A 144 15.922 -13.812 -4.560 1.00 2.30 O ATOM 0 H ASP A 144 11.409 -15.195 -3.745 1.00 0.48 H new ATOM 0 HA ASP A 144 13.127 -13.859 -2.007 1.00 0.56 H new ATOM 0 HB2 ASP A 144 13.701 -15.761 -3.530 1.00 0.70 H new ATOM 0 HB3 ASP A 144 13.610 -14.672 -4.900 1.00 0.70 H new ATOM 1160 N SER A 145 12.154 -12.033 -4.523 1.00 0.38 N ATOM 1161 CA SER A 145 12.101 -10.666 -5.010 1.00 0.35 C ATOM 1162 C SER A 145 10.674 -10.130 -4.962 1.00 0.31 C ATOM 1163 O SER A 145 10.236 -9.412 -5.865 1.00 0.36 O ATOM 1164 CB SER A 145 12.647 -10.582 -6.436 1.00 0.38 C ATOM 1165 OG SER A 145 14.006 -10.989 -6.488 1.00 1.08 O ATOM 0 H SER A 145 11.515 -12.674 -4.993 1.00 0.38 H new ATOM 0 HA SER A 145 12.724 -10.051 -4.360 1.00 0.35 H new ATOM 0 HB2 SER A 145 12.050 -11.212 -7.095 1.00 0.38 H new ATOM 0 HB3 SER A 145 12.556 -9.560 -6.804 1.00 0.38 H new ATOM 0 HG SER A 145 14.331 -10.928 -7.411 1.00 1.08 H new ATOM 1171 N LEU A 146 9.950 -10.471 -3.904 1.00 0.27 N ATOM 1172 CA LEU A 146 8.573 -10.038 -3.766 1.00 0.22 C ATOM 1173 C LEU A 146 8.199 -9.898 -2.292 1.00 0.21 C ATOM 1174 O LEU A 146 8.362 -10.835 -1.504 1.00 0.23 O ATOM 1175 CB LEU A 146 7.651 -11.039 -4.460 1.00 0.23 C ATOM 1176 CG LEU A 146 6.310 -10.480 -4.923 1.00 0.23 C ATOM 1177 CD1 LEU A 146 6.516 -9.394 -5.965 1.00 0.26 C ATOM 1178 CD2 LEU A 146 5.442 -11.593 -5.480 1.00 0.27 C ATOM 0 H LEU A 146 10.295 -11.044 -3.134 1.00 0.27 H new ATOM 0 HA LEU A 146 8.458 -9.062 -4.237 1.00 0.22 H new ATOM 0 HB2 LEU A 146 8.173 -11.449 -5.325 1.00 0.23 H new ATOM 0 HB3 LEU A 146 7.464 -11.868 -3.778 1.00 0.23 H new ATOM 0 HG LEU A 146 5.803 -10.039 -4.065 1.00 0.23 H new ATOM 0 HD11 LEU A 146 5.548 -9.007 -6.284 1.00 0.26 H new ATOM 0 HD12 LEU A 146 7.107 -8.585 -5.535 1.00 0.26 H new ATOM 0 HD13 LEU A 146 7.041 -9.810 -6.825 1.00 0.26 H new ATOM 0 HD21 LEU A 146 4.487 -11.181 -5.807 1.00 0.27 H new ATOM 0 HD22 LEU A 146 5.946 -12.058 -6.327 1.00 0.27 H new ATOM 0 HD23 LEU A 146 5.268 -12.341 -4.706 1.00 0.27 H new ATOM 1190 N TYR A 147 7.709 -8.724 -1.923 1.00 0.18 N ATOM 1191 CA TYR A 147 7.340 -8.434 -0.544 1.00 0.18 C ATOM 1192 C TYR A 147 5.852 -8.126 -0.448 1.00 0.16 C ATOM 1193 O TYR A 147 5.229 -7.749 -1.437 1.00 0.19 O ATOM 1194 CB TYR A 147 8.153 -7.252 -0.011 1.00 0.19 C ATOM 1195 CG TYR A 147 9.599 -7.581 0.301 1.00 0.23 C ATOM 1196 CD1 TYR A 147 10.567 -7.574 -0.694 1.00 1.21 C ATOM 1197 CD2 TYR A 147 9.991 -7.896 1.596 1.00 1.10 C ATOM 1198 CE1 TYR A 147 11.885 -7.874 -0.409 1.00 1.24 C ATOM 1199 CE2 TYR A 147 11.306 -8.197 1.889 1.00 1.10 C ATOM 1200 CZ TYR A 147 12.249 -8.185 0.884 1.00 0.36 C ATOM 1201 OH TYR A 147 13.557 -8.493 1.169 1.00 0.43 O ATOM 0 H TYR A 147 7.556 -7.948 -2.567 1.00 0.18 H new ATOM 0 HA TYR A 147 7.558 -9.313 0.063 1.00 0.18 H new ATOM 0 HB2 TYR A 147 8.126 -6.447 -0.745 1.00 0.19 H new ATOM 0 HB3 TYR A 147 7.675 -6.875 0.893 1.00 0.19 H new ATOM 0 HD1 TYR A 147 10.285 -7.330 -1.708 1.00 1.21 H new ATOM 0 HD2 TYR A 147 9.255 -7.906 2.386 1.00 1.10 H new ATOM 0 HE1 TYR A 147 12.626 -7.865 -1.195 1.00 1.24 H new ATOM 0 HE2 TYR A 147 11.594 -8.441 2.901 1.00 1.10 H new ATOM 0 HH TYR A 147 13.661 -9.466 1.216 1.00 0.43 H new ATOM 1211 N LYS A 148 5.286 -8.275 0.741 1.00 0.17 N ATOM 1212 CA LYS A 148 3.850 -8.106 0.922 1.00 0.18 C ATOM 1213 C LYS A 148 3.516 -7.342 2.204 1.00 0.19 C ATOM 1214 O LYS A 148 4.176 -7.500 3.231 1.00 0.28 O ATOM 1215 CB LYS A 148 3.177 -9.482 0.944 1.00 0.26 C ATOM 1216 CG LYS A 148 1.689 -9.454 1.256 1.00 0.34 C ATOM 1217 CD LYS A 148 1.117 -10.860 1.316 1.00 0.50 C ATOM 1218 CE LYS A 148 -0.357 -10.853 1.685 1.00 0.62 C ATOM 1219 NZ LYS A 148 -0.910 -12.228 1.776 1.00 0.84 N ATOM 0 H LYS A 148 5.796 -8.512 1.592 1.00 0.17 H new ATOM 0 HA LYS A 148 3.474 -7.516 0.086 1.00 0.18 H new ATOM 0 HB2 LYS A 148 3.323 -9.959 -0.025 1.00 0.26 H new ATOM 0 HB3 LYS A 148 3.678 -10.105 1.684 1.00 0.26 H new ATOM 0 HG2 LYS A 148 1.523 -8.950 2.208 1.00 0.34 H new ATOM 0 HG3 LYS A 148 1.165 -8.877 0.494 1.00 0.34 H new ATOM 0 HD2 LYS A 148 1.248 -11.347 0.350 1.00 0.50 H new ATOM 0 HD3 LYS A 148 1.672 -11.448 2.047 1.00 0.50 H new ATOM 0 HE2 LYS A 148 -0.490 -10.344 2.640 1.00 0.62 H new ATOM 0 HE3 LYS A 148 -0.915 -10.285 0.940 1.00 0.62 H new ATOM 0 HZ1 LYS A 148 -1.917 -12.181 2.030 1.00 0.84 H new ATOM 0 HZ2 LYS A 148 -0.806 -12.705 0.858 1.00 0.84 H new ATOM 0 HZ3 LYS A 148 -0.394 -12.762 2.504 1.00 0.84 H new ATOM 1233 N ILE A 149 2.492 -6.506 2.122 1.00 0.15 N ATOM 1234 CA ILE A 149 1.935 -5.833 3.286 1.00 0.18 C ATOM 1235 C ILE A 149 0.442 -6.095 3.354 1.00 0.22 C ATOM 1236 O ILE A 149 -0.214 -6.180 2.322 1.00 0.35 O ATOM 1237 CB ILE A 149 2.192 -4.314 3.267 1.00 0.18 C ATOM 1238 CG1 ILE A 149 1.860 -3.706 1.900 1.00 0.19 C ATOM 1239 CG2 ILE A 149 3.628 -4.033 3.641 1.00 0.19 C ATOM 1240 CD1 ILE A 149 2.083 -2.210 1.830 1.00 0.20 C ATOM 0 H ILE A 149 2.023 -6.275 1.246 1.00 0.15 H new ATOM 0 HA ILE A 149 2.434 -6.236 4.167 1.00 0.18 H new ATOM 0 HB ILE A 149 1.534 -3.847 4.000 1.00 0.18 H new ATOM 0 HG12 ILE A 149 2.470 -4.192 1.138 1.00 0.19 H new ATOM 0 HG13 ILE A 149 0.819 -3.921 1.660 1.00 0.19 H new ATOM 0 HG21 ILE A 149 3.804 -2.957 3.626 1.00 0.19 H new ATOM 0 HG22 ILE A 149 3.826 -4.419 4.641 1.00 0.19 H new ATOM 0 HG23 ILE A 149 4.292 -4.519 2.926 1.00 0.19 H new ATOM 0 HD11 ILE A 149 1.827 -1.850 0.833 1.00 0.20 H new ATOM 0 HD12 ILE A 149 1.453 -1.713 2.568 1.00 0.20 H new ATOM 0 HD13 ILE A 149 3.130 -1.988 2.038 1.00 0.20 H new ATOM 1252 N GLU A 150 -0.086 -6.242 4.557 1.00 0.24 N ATOM 1253 CA GLU A 150 -1.484 -6.602 4.733 1.00 0.27 C ATOM 1254 C GLU A 150 -2.024 -6.029 6.038 1.00 0.24 C ATOM 1255 O GLU A 150 -1.290 -5.897 7.020 1.00 0.31 O ATOM 1256 CB GLU A 150 -1.613 -8.129 4.710 1.00 0.40 C ATOM 1257 CG GLU A 150 -3.043 -8.641 4.778 1.00 1.08 C ATOM 1258 CD GLU A 150 -3.122 -10.145 4.621 1.00 1.55 C ATOM 1259 OE1 GLU A 150 -2.712 -10.868 5.553 1.00 2.03 O ATOM 1260 OE2 GLU A 150 -3.591 -10.615 3.565 1.00 2.30 O ATOM 0 H GLU A 150 0.432 -6.118 5.427 1.00 0.24 H new ATOM 0 HA GLU A 150 -2.075 -6.181 3.919 1.00 0.27 H new ATOM 0 HB2 GLU A 150 -1.148 -8.507 3.799 1.00 0.40 H new ATOM 0 HB3 GLU A 150 -1.052 -8.541 5.549 1.00 0.40 H new ATOM 0 HG2 GLU A 150 -3.485 -8.354 5.732 1.00 1.08 H new ATOM 0 HG3 GLU A 150 -3.635 -8.165 3.996 1.00 1.08 H new ATOM 1267 N THR A 151 -3.301 -5.664 6.032 1.00 0.21 N ATOM 1268 CA THR A 151 -3.952 -5.116 7.209 1.00 0.23 C ATOM 1269 C THR A 151 -4.294 -6.222 8.204 1.00 0.24 C ATOM 1270 O THR A 151 -4.445 -7.390 7.831 1.00 0.27 O ATOM 1271 CB THR A 151 -5.237 -4.352 6.825 1.00 0.25 C ATOM 1272 OG1 THR A 151 -6.205 -5.243 6.258 1.00 0.25 O ATOM 1273 CG2 THR A 151 -4.931 -3.249 5.825 1.00 0.29 C ATOM 0 H THR A 151 -3.908 -5.740 5.216 1.00 0.21 H new ATOM 0 HA THR A 151 -3.255 -4.420 7.676 1.00 0.23 H new ATOM 0 HB THR A 151 -5.642 -3.910 7.735 1.00 0.25 H new ATOM 0 HG1 THR A 151 -6.967 -5.329 6.868 1.00 0.25 H new ATOM 0 HG21 THR A 151 -5.851 -2.724 5.569 1.00 0.29 H new ATOM 0 HG22 THR A 151 -4.223 -2.546 6.264 1.00 0.29 H new ATOM 0 HG23 THR A 151 -4.499 -3.684 4.924 1.00 0.29 H new ATOM 1281 N LYS A 152 -4.402 -5.846 9.471 1.00 0.31 N ATOM 1282 CA LYS A 152 -4.709 -6.788 10.538 1.00 0.38 C ATOM 1283 C LYS A 152 -6.170 -7.219 10.489 1.00 0.39 C ATOM 1284 O LYS A 152 -6.497 -8.379 10.749 1.00 0.51 O ATOM 1285 CB LYS A 152 -4.414 -6.151 11.899 1.00 0.48 C ATOM 1286 CG LYS A 152 -4.763 -7.037 13.086 1.00 0.80 C ATOM 1287 CD LYS A 152 -4.747 -6.252 14.386 1.00 1.02 C ATOM 1288 CE LYS A 152 -5.034 -7.146 15.579 1.00 1.99 C ATOM 1289 NZ LYS A 152 -5.145 -6.369 16.841 1.00 2.42 N ATOM 0 H LYS A 152 -4.280 -4.884 9.787 1.00 0.31 H new ATOM 0 HA LYS A 152 -4.082 -7.669 10.398 1.00 0.38 H new ATOM 0 HB2 LYS A 152 -3.355 -5.896 11.948 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -4.970 -5.217 11.980 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -5.749 -7.477 12.937 1.00 0.80 H new ATOM 0 HG3 LYS A 152 -4.053 -7.861 13.148 1.00 0.80 H new ATOM 0 HD2 LYS A 152 -3.775 -5.775 14.513 1.00 1.02 H new ATOM 0 HD3 LYS A 152 -5.489 -5.455 14.340 1.00 1.02 H new ATOM 0 HE2 LYS A 152 -5.961 -7.694 15.407 1.00 1.99 H new ATOM 0 HE3 LYS A 152 -4.240 -7.886 15.677 1.00 1.99 H new ATOM 0 HZ1 LYS A 152 -5.341 -7.016 17.631 1.00 2.42 H new ATOM 0 HZ2 LYS A 152 -4.252 -5.866 17.019 1.00 2.42 H new ATOM 0 HZ3 LYS A 152 -5.919 -5.680 16.757 1.00 2.42 H new ATOM 1303 N LYS A 153 -7.049 -6.289 10.154 1.00 0.37 N ATOM 1304 CA LYS A 153 -8.478 -6.538 10.256 1.00 0.43 C ATOM 1305 C LYS A 153 -9.192 -6.337 8.925 1.00 0.40 C ATOM 1306 O LYS A 153 -8.697 -5.644 8.032 1.00 0.40 O ATOM 1307 CB LYS A 153 -9.092 -5.616 11.316 1.00 0.51 C ATOM 1308 CG LYS A 153 -8.971 -4.134 10.990 1.00 0.57 C ATOM 1309 CD LYS A 153 -9.599 -3.270 12.071 1.00 0.66 C ATOM 1310 CE LYS A 153 -9.397 -1.787 11.790 1.00 0.69 C ATOM 1311 NZ LYS A 153 -9.996 -0.931 12.848 1.00 1.29 N ATOM 0 H LYS A 153 -6.801 -5.361 9.811 1.00 0.37 H new ATOM 0 HA LYS A 153 -8.609 -7.580 10.547 1.00 0.43 H new ATOM 0 HB2 LYS A 153 -10.146 -5.867 11.435 1.00 0.51 H new ATOM 0 HB3 LYS A 153 -8.609 -5.808 12.274 1.00 0.51 H new ATOM 0 HG2 LYS A 153 -7.919 -3.870 10.878 1.00 0.57 H new ATOM 0 HG3 LYS A 153 -9.454 -3.930 10.034 1.00 0.57 H new ATOM 0 HD2 LYS A 153 -10.665 -3.487 12.137 1.00 0.66 H new ATOM 0 HD3 LYS A 153 -9.162 -3.521 13.038 1.00 0.66 H new ATOM 0 HE2 LYS A 153 -8.331 -1.575 11.713 1.00 0.69 H new ATOM 0 HE3 LYS A 153 -9.842 -1.537 10.827 1.00 0.69 H new ATOM 0 HZ1 LYS A 153 -9.835 0.070 12.617 1.00 1.29 H new ATOM 0 HZ2 LYS A 153 -11.018 -1.113 12.905 1.00 1.29 H new ATOM 0 HZ3 LYS A 153 -9.554 -1.150 13.763 1.00 1.29 H new ATOM 1325 N LYS A 154 -10.352 -6.975 8.804 1.00 0.43 N ATOM 1326 CA LYS A 154 -11.250 -6.741 7.688 1.00 0.44 C ATOM 1327 C LYS A 154 -12.063 -5.491 7.994 1.00 0.53 C ATOM 1328 O LYS A 154 -12.646 -5.382 9.075 1.00 0.67 O ATOM 1329 CB LYS A 154 -12.179 -7.942 7.481 1.00 0.44 C ATOM 1330 CG LYS A 154 -11.447 -9.268 7.324 1.00 0.47 C ATOM 1331 CD LYS A 154 -12.419 -10.416 7.109 1.00 0.54 C ATOM 1332 CE LYS A 154 -11.705 -11.760 7.062 1.00 0.66 C ATOM 1333 NZ LYS A 154 -10.756 -11.863 5.923 1.00 1.41 N ATOM 0 H LYS A 154 -10.691 -7.664 9.475 1.00 0.43 H new ATOM 0 HA LYS A 154 -10.677 -6.605 6.771 1.00 0.44 H new ATOM 0 HB2 LYS A 154 -12.860 -8.012 8.329 1.00 0.44 H new ATOM 0 HB3 LYS A 154 -12.790 -7.768 6.595 1.00 0.44 H new ATOM 0 HG2 LYS A 154 -10.760 -9.208 6.480 1.00 0.47 H new ATOM 0 HG3 LYS A 154 -10.845 -9.460 8.212 1.00 0.47 H new ATOM 0 HD2 LYS A 154 -13.156 -10.424 7.912 1.00 0.54 H new ATOM 0 HD3 LYS A 154 -12.964 -10.261 6.178 1.00 0.54 H new ATOM 0 HE2 LYS A 154 -11.164 -11.913 7.996 1.00 0.66 H new ATOM 0 HE3 LYS A 154 -12.444 -12.558 6.988 1.00 0.66 H new ATOM 0 HZ1 LYS A 154 -10.360 -12.824 5.887 1.00 1.41 H new ATOM 0 HZ2 LYS A 154 -11.257 -11.661 5.034 1.00 1.41 H new ATOM 0 HZ3 LYS A 154 -9.986 -11.176 6.050 1.00 1.41 H new ATOM 1347 N MET A 155 -12.098 -4.552 7.066 1.00 0.61 N ATOM 1348 CA MET A 155 -12.612 -3.224 7.368 1.00 0.76 C ATOM 1349 C MET A 155 -13.994 -2.975 6.784 1.00 0.62 C ATOM 1350 O MET A 155 -14.565 -3.829 6.105 1.00 0.57 O ATOM 1351 CB MET A 155 -11.629 -2.170 6.869 1.00 1.01 C ATOM 1352 CG MET A 155 -10.255 -2.316 7.491 1.00 1.22 C ATOM 1353 SD MET A 155 -9.077 -1.096 6.901 1.00 0.95 S ATOM 1354 CE MET A 155 -7.603 -1.675 7.733 1.00 0.80 C ATOM 0 H MET A 155 -11.780 -4.680 6.105 1.00 0.61 H new ATOM 0 HA MET A 155 -12.717 -3.156 8.451 1.00 0.76 H new ATOM 0 HB2 MET A 155 -11.543 -2.243 5.785 1.00 1.01 H new ATOM 0 HB3 MET A 155 -12.021 -1.178 7.092 1.00 1.01 H new ATOM 0 HG2 MET A 155 -10.343 -2.232 8.574 1.00 1.22 H new ATOM 0 HG3 MET A 155 -9.872 -3.314 7.279 1.00 1.22 H new ATOM 0 HE1 MET A 155 -6.815 -0.927 7.640 1.00 0.80 H new ATOM 0 HE2 MET A 155 -7.822 -1.842 8.788 1.00 0.80 H new ATOM 0 HE3 MET A 155 -7.272 -2.609 7.279 1.00 0.80 H new ATOM 1364 N LYS A 156 -14.515 -1.786 7.071 1.00 0.65 N ATOM 1365 CA LYS A 156 -15.832 -1.370 6.610 1.00 0.59 C ATOM 1366 C LYS A 156 -15.782 -0.985 5.135 1.00 0.44 C ATOM 1367 O LYS A 156 -14.711 -0.675 4.612 1.00 0.42 O ATOM 1368 CB LYS A 156 -16.311 -0.175 7.443 1.00 0.72 C ATOM 1369 CG LYS A 156 -16.479 -0.483 8.923 1.00 1.28 C ATOM 1370 CD LYS A 156 -16.913 0.748 9.706 1.00 1.79 C ATOM 1371 CE LYS A 156 -15.840 1.828 9.696 1.00 2.54 C ATOM 1372 NZ LYS A 156 -16.252 3.026 10.472 1.00 3.40 N ATOM 0 H LYS A 156 -14.033 -1.083 7.631 1.00 0.65 H new ATOM 0 HA LYS A 156 -16.528 -2.201 6.729 1.00 0.59 H new ATOM 0 HB2 LYS A 156 -15.599 0.642 7.331 1.00 0.72 H new ATOM 0 HB3 LYS A 156 -17.263 0.175 7.044 1.00 0.72 H new ATOM 0 HG2 LYS A 156 -17.218 -1.274 9.049 1.00 1.28 H new ATOM 0 HG3 LYS A 156 -15.538 -0.858 9.326 1.00 1.28 H new ATOM 0 HD2 LYS A 156 -17.834 1.145 9.279 1.00 1.79 H new ATOM 0 HD3 LYS A 156 -17.135 0.465 10.735 1.00 1.79 H new ATOM 0 HE2 LYS A 156 -14.916 1.426 10.112 1.00 2.54 H new ATOM 0 HE3 LYS A 156 -15.626 2.118 8.667 1.00 2.54 H new ATOM 0 HZ1 LYS A 156 -15.494 3.738 10.440 1.00 3.40 H new ATOM 0 HZ2 LYS A 156 -17.119 3.425 10.060 1.00 3.40 H new ATOM 0 HZ3 LYS A 156 -16.431 2.755 11.460 1.00 3.40 H new ATOM 1386 N PRO A 157 -16.938 -1.002 4.448 1.00 0.46 N ATOM 1387 CA PRO A 157 -17.025 -0.623 3.035 1.00 0.41 C ATOM 1388 C PRO A 157 -16.512 0.790 2.775 1.00 0.37 C ATOM 1389 O PRO A 157 -16.849 1.728 3.501 1.00 0.46 O ATOM 1390 CB PRO A 157 -18.525 -0.704 2.717 1.00 0.52 C ATOM 1391 CG PRO A 157 -19.207 -0.729 4.042 1.00 0.63 C ATOM 1392 CD PRO A 157 -18.249 -1.404 4.980 1.00 0.63 C ATOM 0 HA PRO A 157 -16.410 -1.274 2.414 1.00 0.41 H new ATOM 0 HB2 PRO A 157 -18.848 0.152 2.124 1.00 0.52 H new ATOM 0 HB3 PRO A 157 -18.757 -1.598 2.138 1.00 0.52 H new ATOM 0 HG2 PRO A 157 -19.441 0.280 4.381 1.00 0.63 H new ATOM 0 HG3 PRO A 157 -20.150 -1.273 3.987 1.00 0.63 H new ATOM 0 HD2 PRO A 157 -18.388 -1.072 6.009 1.00 0.63 H new ATOM 0 HD3 PRO A 157 -18.373 -2.487 4.975 1.00 0.63 H new ATOM 1400 N GLY A 158 -15.702 0.938 1.739 1.00 0.32 N ATOM 1401 CA GLY A 158 -15.175 2.237 1.396 1.00 0.33 C ATOM 1402 C GLY A 158 -13.952 2.143 0.514 1.00 0.27 C ATOM 1403 O GLY A 158 -13.561 1.052 0.099 1.00 0.27 O ATOM 0 H GLY A 158 -15.401 0.178 1.129 1.00 0.32 H new ATOM 0 HA2 GLY A 158 -15.945 2.816 0.886 1.00 0.33 H new ATOM 0 HA3 GLY A 158 -14.922 2.777 2.308 1.00 0.33 H new ATOM 1407 N ILE A 159 -13.349 3.285 0.231 1.00 0.29 N ATOM 1408 CA ILE A 159 -12.174 3.342 -0.621 1.00 0.26 C ATOM 1409 C ILE A 159 -10.910 3.400 0.222 1.00 0.21 C ATOM 1410 O ILE A 159 -10.796 4.231 1.125 1.00 0.24 O ATOM 1411 CB ILE A 159 -12.210 4.573 -1.544 1.00 0.30 C ATOM 1412 CG1 ILE A 159 -13.517 4.599 -2.344 1.00 0.40 C ATOM 1413 CG2 ILE A 159 -11.006 4.566 -2.471 1.00 0.29 C ATOM 1414 CD1 ILE A 159 -13.755 5.894 -3.088 1.00 0.44 C ATOM 0 H ILE A 159 -13.657 4.192 0.582 1.00 0.29 H new ATOM 0 HA ILE A 159 -12.173 2.440 -1.232 1.00 0.26 H new ATOM 0 HB ILE A 159 -12.168 5.475 -0.934 1.00 0.30 H new ATOM 0 HG12 ILE A 159 -13.510 3.777 -3.059 1.00 0.40 H new ATOM 0 HG13 ILE A 159 -14.351 4.423 -1.664 1.00 0.40 H new ATOM 0 HG21 ILE A 159 -11.041 5.441 -3.120 1.00 0.29 H new ATOM 0 HG22 ILE A 159 -10.091 4.590 -1.879 1.00 0.29 H new ATOM 0 HG23 ILE A 159 -11.021 3.662 -3.080 1.00 0.29 H new ATOM 0 HD11 ILE A 159 -14.699 5.834 -3.630 1.00 0.44 H new ATOM 0 HD12 ILE A 159 -13.796 6.720 -2.378 1.00 0.44 H new ATOM 0 HD13 ILE A 159 -12.942 6.063 -3.794 1.00 0.44 H new ATOM 1426 N TYR A 160 -9.970 2.519 -0.065 1.00 0.18 N ATOM 1427 CA TYR A 160 -8.712 2.486 0.660 1.00 0.17 C ATOM 1428 C TYR A 160 -7.548 2.402 -0.315 1.00 0.16 C ATOM 1429 O TYR A 160 -7.722 1.990 -1.462 1.00 0.19 O ATOM 1430 CB TYR A 160 -8.670 1.289 1.619 1.00 0.21 C ATOM 1431 CG TYR A 160 -9.798 1.261 2.633 1.00 0.23 C ATOM 1432 CD1 TYR A 160 -11.012 0.651 2.332 1.00 1.20 C ATOM 1433 CD2 TYR A 160 -9.651 1.838 3.890 1.00 1.24 C ATOM 1434 CE1 TYR A 160 -12.043 0.620 3.249 1.00 1.23 C ATOM 1435 CE2 TYR A 160 -10.682 1.808 4.813 1.00 1.24 C ATOM 1436 CZ TYR A 160 -11.875 1.200 4.485 1.00 0.35 C ATOM 1437 OH TYR A 160 -12.905 1.160 5.399 1.00 0.43 O ATOM 0 H TYR A 160 -10.054 1.814 -0.797 1.00 0.18 H new ATOM 0 HA TYR A 160 -8.629 3.404 1.242 1.00 0.17 H new ATOM 0 HB2 TYR A 160 -8.700 0.369 1.035 1.00 0.21 H new ATOM 0 HB3 TYR A 160 -7.719 1.298 2.151 1.00 0.21 H new ATOM 0 HD1 TYR A 160 -11.150 0.194 1.363 1.00 1.20 H new ATOM 0 HD2 TYR A 160 -8.718 2.317 4.150 1.00 1.24 H new ATOM 0 HE1 TYR A 160 -12.978 0.142 2.997 1.00 1.23 H new ATOM 0 HE2 TYR A 160 -10.552 2.259 5.786 1.00 1.24 H new ATOM 0 HH TYR A 160 -13.690 0.741 4.989 1.00 0.43 H new ATOM 1447 N ALA A 161 -6.376 2.811 0.138 1.00 0.14 N ATOM 1448 CA ALA A 161 -5.164 2.720 -0.661 1.00 0.14 C ATOM 1449 C ALA A 161 -3.942 2.695 0.242 1.00 0.14 C ATOM 1450 O ALA A 161 -3.978 3.209 1.361 1.00 0.14 O ATOM 1451 CB ALA A 161 -5.072 3.884 -1.634 1.00 0.14 C ATOM 0 H ALA A 161 -6.236 3.214 1.065 1.00 0.14 H new ATOM 0 HA ALA A 161 -5.200 1.794 -1.235 1.00 0.14 H new ATOM 0 HB1 ALA A 161 -4.158 3.796 -2.221 1.00 0.14 H new ATOM 0 HB2 ALA A 161 -5.934 3.870 -2.300 1.00 0.14 H new ATOM 0 HB3 ALA A 161 -5.058 4.822 -1.079 1.00 0.14 H new ATOM 1457 N PHE A 162 -2.867 2.096 -0.240 1.00 0.14 N ATOM 1458 CA PHE A 162 -1.629 2.032 0.522 1.00 0.15 C ATOM 1459 C PHE A 162 -0.669 3.111 0.058 1.00 0.15 C ATOM 1460 O PHE A 162 -0.408 3.249 -1.137 1.00 0.15 O ATOM 1461 CB PHE A 162 -0.957 0.662 0.379 1.00 0.17 C ATOM 1462 CG PHE A 162 -1.680 -0.459 1.076 1.00 0.18 C ATOM 1463 CD1 PHE A 162 -2.605 -1.240 0.402 1.00 1.13 C ATOM 1464 CD2 PHE A 162 -1.421 -0.736 2.409 1.00 1.15 C ATOM 1465 CE1 PHE A 162 -3.255 -2.277 1.044 1.00 1.13 C ATOM 1466 CE2 PHE A 162 -2.069 -1.770 3.057 1.00 1.16 C ATOM 1467 CZ PHE A 162 -2.986 -2.541 2.373 1.00 0.24 C ATOM 0 H PHE A 162 -2.825 1.647 -1.155 1.00 0.14 H new ATOM 0 HA PHE A 162 -1.880 2.190 1.571 1.00 0.15 H new ATOM 0 HB2 PHE A 162 -0.873 0.421 -0.681 1.00 0.17 H new ATOM 0 HB3 PHE A 162 0.057 0.725 0.773 1.00 0.17 H new ATOM 0 HD1 PHE A 162 -2.820 -1.036 -0.636 1.00 1.13 H new ATOM 0 HD2 PHE A 162 -0.703 -0.136 2.948 1.00 1.15 H new ATOM 0 HE1 PHE A 162 -3.972 -2.880 0.507 1.00 1.13 H new ATOM 0 HE2 PHE A 162 -1.858 -1.974 4.096 1.00 1.16 H new ATOM 0 HZ PHE A 162 -3.493 -3.351 2.876 1.00 0.24 H new ATOM 1477 N LYS A 163 -0.157 3.880 1.001 1.00 0.16 N ATOM 1478 CA LYS A 163 0.830 4.900 0.698 1.00 0.18 C ATOM 1479 C LYS A 163 2.171 4.504 1.285 1.00 0.20 C ATOM 1480 O LYS A 163 2.367 4.571 2.500 1.00 0.23 O ATOM 1481 CB LYS A 163 0.414 6.269 1.257 1.00 0.23 C ATOM 1482 CG LYS A 163 1.414 7.378 0.933 1.00 0.31 C ATOM 1483 CD LYS A 163 1.024 8.709 1.572 1.00 0.45 C ATOM 1484 CE LYS A 163 2.142 9.739 1.446 1.00 0.74 C ATOM 1485 NZ LYS A 163 1.769 11.051 2.036 1.00 1.28 N ATOM 0 H LYS A 163 -0.410 3.817 1.987 1.00 0.16 H new ATOM 0 HA LYS A 163 0.905 4.982 -0.386 1.00 0.18 H new ATOM 0 HB2 LYS A 163 -0.562 6.538 0.853 1.00 0.23 H new ATOM 0 HB3 LYS A 163 0.301 6.194 2.339 1.00 0.23 H new ATOM 0 HG2 LYS A 163 2.404 7.086 1.282 1.00 0.31 H new ATOM 0 HG3 LYS A 163 1.480 7.501 -0.148 1.00 0.31 H new ATOM 0 HD2 LYS A 163 0.121 9.091 1.097 1.00 0.45 H new ATOM 0 HD3 LYS A 163 0.789 8.553 2.625 1.00 0.45 H new ATOM 0 HE2 LYS A 163 3.037 9.362 1.940 1.00 0.74 H new ATOM 0 HE3 LYS A 163 2.392 9.874 0.394 1.00 0.74 H new ATOM 0 HZ1 LYS A 163 2.601 11.675 2.050 1.00 1.28 H new ATOM 0 HZ2 LYS A 163 1.018 11.488 1.464 1.00 1.28 H new ATOM 0 HZ3 LYS A 163 1.426 10.910 3.008 1.00 1.28 H new ATOM 1499 N VAL A 164 3.081 4.069 0.433 1.00 0.22 N ATOM 1500 CA VAL A 164 4.426 3.763 0.874 1.00 0.26 C ATOM 1501 C VAL A 164 5.345 4.905 0.463 1.00 0.33 C ATOM 1502 O VAL A 164 5.320 5.358 -0.682 1.00 0.34 O ATOM 1503 CB VAL A 164 4.938 2.399 0.325 1.00 0.28 C ATOM 1504 CG1 VAL A 164 3.922 1.303 0.595 1.00 0.27 C ATOM 1505 CG2 VAL A 164 5.269 2.459 -1.159 1.00 0.29 C ATOM 0 H VAL A 164 2.913 3.921 -0.562 1.00 0.22 H new ATOM 0 HA VAL A 164 4.422 3.663 1.959 1.00 0.26 H new ATOM 0 HB VAL A 164 5.864 2.169 0.853 1.00 0.28 H new ATOM 0 HG11 VAL A 164 4.296 0.356 0.205 1.00 0.27 H new ATOM 0 HG12 VAL A 164 3.760 1.214 1.669 1.00 0.27 H new ATOM 0 HG13 VAL A 164 2.980 1.551 0.105 1.00 0.27 H new ATOM 0 HG21 VAL A 164 5.622 1.483 -1.493 1.00 0.29 H new ATOM 0 HG22 VAL A 164 4.376 2.734 -1.720 1.00 0.29 H new ATOM 0 HG23 VAL A 164 6.047 3.203 -1.328 1.00 0.29 H new ATOM 1515 N TYR A 165 6.109 5.421 1.406 1.00 0.45 N ATOM 1516 CA TYR A 165 6.977 6.546 1.116 1.00 0.57 C ATOM 1517 C TYR A 165 8.392 6.286 1.599 1.00 0.70 C ATOM 1518 O TYR A 165 8.916 6.995 2.458 1.00 1.67 O ATOM 1519 CB TYR A 165 6.407 7.859 1.685 1.00 0.62 C ATOM 1520 CG TYR A 165 5.896 7.795 3.115 1.00 0.63 C ATOM 1521 CD1 TYR A 165 6.702 8.174 4.182 1.00 1.30 C ATOM 1522 CD2 TYR A 165 4.594 7.391 3.393 1.00 1.38 C ATOM 1523 CE1 TYR A 165 6.228 8.150 5.481 1.00 1.31 C ATOM 1524 CE2 TYR A 165 4.115 7.359 4.692 1.00 1.45 C ATOM 1525 CZ TYR A 165 4.936 7.739 5.728 1.00 0.79 C ATOM 1526 OH TYR A 165 4.457 7.728 7.018 1.00 0.93 O ATOM 0 H TYR A 165 6.147 5.085 2.368 1.00 0.45 H new ATOM 0 HA TYR A 165 7.021 6.661 0.033 1.00 0.57 H new ATOM 0 HB2 TYR A 165 7.182 8.623 1.630 1.00 0.62 H new ATOM 0 HB3 TYR A 165 5.590 8.187 1.042 1.00 0.62 H new ATOM 0 HD1 TYR A 165 7.716 8.493 3.993 1.00 1.30 H new ATOM 0 HD2 TYR A 165 3.945 7.097 2.581 1.00 1.38 H new ATOM 0 HE1 TYR A 165 6.867 8.452 6.298 1.00 1.31 H new ATOM 0 HE2 TYR A 165 3.103 7.038 4.890 1.00 1.45 H new ATOM 0 HH TYR A 165 4.901 8.430 7.538 1.00 0.93 H new ATOM 1536 N LYS A 166 8.995 5.242 1.028 1.00 0.48 N ATOM 1537 CA LYS A 166 10.396 4.908 1.265 1.00 0.49 C ATOM 1538 C LYS A 166 10.603 4.376 2.690 1.00 0.46 C ATOM 1539 O LYS A 166 9.700 4.446 3.525 1.00 0.55 O ATOM 1540 CB LYS A 166 11.284 6.139 0.989 1.00 0.57 C ATOM 1541 CG LYS A 166 11.155 6.675 -0.433 1.00 0.71 C ATOM 1542 CD LYS A 166 11.646 5.673 -1.468 1.00 0.94 C ATOM 1543 CE LYS A 166 13.166 5.623 -1.546 1.00 1.35 C ATOM 1544 NZ LYS A 166 13.735 6.839 -2.191 1.00 1.53 N ATOM 0 H LYS A 166 8.523 4.604 0.387 1.00 0.48 H new ATOM 0 HA LYS A 166 10.688 4.113 0.579 1.00 0.49 H new ATOM 0 HB2 LYS A 166 11.024 6.930 1.692 1.00 0.57 H new ATOM 0 HB3 LYS A 166 12.325 5.876 1.177 1.00 0.57 H new ATOM 0 HG2 LYS A 166 10.113 6.922 -0.634 1.00 0.71 H new ATOM 0 HG3 LYS A 166 11.725 7.600 -0.525 1.00 0.71 H new ATOM 0 HD2 LYS A 166 11.264 4.682 -1.222 1.00 0.94 H new ATOM 0 HD3 LYS A 166 11.242 5.936 -2.446 1.00 0.94 H new ATOM 0 HE2 LYS A 166 13.577 5.520 -0.542 1.00 1.35 H new ATOM 0 HE3 LYS A 166 13.471 4.740 -2.107 1.00 1.35 H new ATOM 0 HZ1 LYS A 166 14.377 6.556 -2.959 1.00 1.53 H new ATOM 0 HZ2 LYS A 166 12.964 7.418 -2.580 1.00 1.53 H new ATOM 0 HZ3 LYS A 166 14.261 7.392 -1.485 1.00 1.53 H new ATOM 1558 N PRO A 167 11.778 3.789 2.978 1.00 0.44 N ATOM 1559 CA PRO A 167 12.103 3.310 4.326 1.00 0.47 C ATOM 1560 C PRO A 167 12.188 4.450 5.329 1.00 0.47 C ATOM 1561 O PRO A 167 12.632 5.552 4.992 1.00 0.50 O ATOM 1562 CB PRO A 167 13.479 2.652 4.161 1.00 0.58 C ATOM 1563 CG PRO A 167 13.619 2.410 2.699 1.00 0.60 C ATOM 1564 CD PRO A 167 12.873 3.523 2.032 1.00 0.49 C ATOM 0 HA PRO A 167 11.339 2.634 4.709 1.00 0.47 H new ATOM 0 HB2 PRO A 167 14.273 3.300 4.531 1.00 0.58 H new ATOM 0 HB3 PRO A 167 13.540 1.720 4.723 1.00 0.58 H new ATOM 0 HG2 PRO A 167 14.667 2.407 2.401 1.00 0.60 H new ATOM 0 HG3 PRO A 167 13.206 1.440 2.421 1.00 0.60 H new ATOM 0 HD2 PRO A 167 13.502 4.401 1.883 1.00 0.49 H new ATOM 0 HD3 PRO A 167 12.499 3.229 1.051 1.00 0.49 H new ATOM 1572 N ALA A 168 11.745 4.190 6.551 1.00 0.53 N ATOM 1573 CA ALA A 168 11.820 5.183 7.609 1.00 0.64 C ATOM 1574 C ALA A 168 13.277 5.524 7.899 1.00 0.71 C ATOM 1575 O ALA A 168 14.099 4.633 8.126 1.00 0.76 O ATOM 1576 CB ALA A 168 11.125 4.686 8.866 1.00 0.72 C ATOM 0 H ALA A 168 11.331 3.301 6.832 1.00 0.53 H new ATOM 0 HA ALA A 168 11.307 6.086 7.277 1.00 0.64 H new ATOM 0 HB1 ALA A 168 11.194 5.446 9.644 1.00 0.72 H new ATOM 0 HB2 ALA A 168 10.076 4.485 8.647 1.00 0.72 H new ATOM 0 HB3 ALA A 168 11.606 3.770 9.210 1.00 0.72 H new ATOM 1582 N GLY A 169 13.591 6.810 7.884 1.00 0.82 N ATOM 1583 CA GLY A 169 14.965 7.240 8.032 1.00 0.95 C ATOM 1584 C GLY A 169 15.499 7.861 6.759 1.00 0.96 C ATOM 1585 O GLY A 169 16.475 8.612 6.786 1.00 1.14 O ATOM 0 H GLY A 169 12.916 7.566 7.772 1.00 0.82 H new ATOM 0 HA2 GLY A 169 15.034 7.962 8.846 1.00 0.95 H new ATOM 0 HA3 GLY A 169 15.585 6.387 8.309 1.00 0.95 H new ATOM 1589 N TYR A 170 14.863 7.548 5.638 1.00 0.80 N ATOM 1590 CA TYR A 170 15.246 8.129 4.362 1.00 0.82 C ATOM 1591 C TYR A 170 14.460 9.419 4.136 1.00 0.86 C ATOM 1592 O TYR A 170 13.229 9.403 4.167 1.00 0.89 O ATOM 1593 CB TYR A 170 14.969 7.137 3.224 1.00 0.83 C ATOM 1594 CG TYR A 170 15.579 7.534 1.889 1.00 0.91 C ATOM 1595 CD1 TYR A 170 14.997 8.516 1.093 1.00 1.15 C ATOM 1596 CD2 TYR A 170 16.738 6.921 1.424 1.00 1.74 C ATOM 1597 CE1 TYR A 170 15.551 8.873 -0.121 1.00 1.21 C ATOM 1598 CE2 TYR A 170 17.296 7.274 0.213 1.00 1.82 C ATOM 1599 CZ TYR A 170 16.700 8.250 -0.556 1.00 1.11 C ATOM 1600 OH TYR A 170 17.254 8.601 -1.765 1.00 1.24 O ATOM 0 H TYR A 170 14.081 6.896 5.588 1.00 0.80 H new ATOM 0 HA TYR A 170 16.313 8.353 4.375 1.00 0.82 H new ATOM 0 HB2 TYR A 170 15.353 6.158 3.509 1.00 0.83 H new ATOM 0 HB3 TYR A 170 13.891 7.033 3.102 1.00 0.83 H new ATOM 0 HD1 TYR A 170 14.096 9.008 1.430 1.00 1.15 H new ATOM 0 HD2 TYR A 170 17.209 6.155 2.022 1.00 1.74 H new ATOM 0 HE1 TYR A 170 15.086 9.637 -0.726 1.00 1.21 H new ATOM 0 HE2 TYR A 170 18.197 6.787 -0.131 1.00 1.82 H new ATOM 0 HH TYR A 170 18.061 8.068 -1.922 1.00 1.24 H new ATOM 1666 N THR A 176 7.926 11.762 -3.274 1.00 0.64 N ATOM 1667 CA THR A 176 8.640 10.504 -3.116 1.00 0.90 C ATOM 1668 C THR A 176 7.694 9.400 -2.633 1.00 0.80 C ATOM 1669 O THR A 176 8.118 8.302 -2.266 1.00 1.05 O ATOM 1670 CB THR A 176 9.799 10.683 -2.116 1.00 1.30 C ATOM 1671 OG1 THR A 176 10.443 11.943 -2.353 1.00 1.49 O ATOM 1672 CG2 THR A 176 10.824 9.570 -2.253 1.00 1.76 C ATOM 0 HA THR A 176 9.043 10.209 -4.085 1.00 0.90 H new ATOM 0 HB THR A 176 9.385 10.650 -1.108 1.00 1.30 H new ATOM 0 HG1 THR A 176 9.829 12.540 -2.829 1.00 1.49 H new ATOM 0 HG21 THR A 176 11.628 9.726 -1.534 1.00 1.76 H new ATOM 0 HG22 THR A 176 10.346 8.609 -2.061 1.00 1.76 H new ATOM 0 HG23 THR A 176 11.234 9.575 -3.263 1.00 1.76 H new ATOM 1680 N PHE A 177 6.405 9.696 -2.659 1.00 0.52 N ATOM 1681 CA PHE A 177 5.399 8.763 -2.180 1.00 0.45 C ATOM 1682 C PHE A 177 4.864 7.907 -3.325 1.00 0.41 C ATOM 1683 O PHE A 177 4.756 8.372 -4.465 1.00 0.50 O ATOM 1684 CB PHE A 177 4.246 9.518 -1.500 1.00 0.49 C ATOM 1685 CG PHE A 177 3.693 10.670 -2.307 1.00 0.55 C ATOM 1686 CD1 PHE A 177 2.783 10.451 -3.334 1.00 1.37 C ATOM 1687 CD2 PHE A 177 4.081 11.975 -2.033 1.00 1.31 C ATOM 1688 CE1 PHE A 177 2.277 11.506 -4.067 1.00 1.46 C ATOM 1689 CE2 PHE A 177 3.575 13.032 -2.765 1.00 1.38 C ATOM 1690 CZ PHE A 177 2.673 12.796 -3.783 1.00 0.86 C ATOM 0 H PHE A 177 6.030 10.578 -3.008 1.00 0.52 H new ATOM 0 HA PHE A 177 5.868 8.105 -1.448 1.00 0.45 H new ATOM 0 HB2 PHE A 177 3.439 8.815 -1.293 1.00 0.49 H new ATOM 0 HB3 PHE A 177 4.593 9.897 -0.539 1.00 0.49 H new ATOM 0 HD1 PHE A 177 2.468 9.443 -3.562 1.00 1.37 H new ATOM 0 HD2 PHE A 177 4.787 12.166 -1.238 1.00 1.31 H new ATOM 0 HE1 PHE A 177 1.571 11.321 -4.863 1.00 1.46 H new ATOM 0 HE2 PHE A 177 3.885 14.042 -2.541 1.00 1.38 H new ATOM 0 HZ PHE A 177 2.278 13.621 -4.357 1.00 0.86 H new ATOM 1700 N GLU A 178 4.539 6.662 -3.020 1.00 0.34 N ATOM 1701 CA GLU A 178 3.968 5.764 -4.002 1.00 0.32 C ATOM 1702 C GLU A 178 2.626 5.249 -3.502 1.00 0.28 C ATOM 1703 O GLU A 178 2.541 4.643 -2.430 1.00 0.28 O ATOM 1704 CB GLU A 178 4.919 4.595 -4.279 1.00 0.37 C ATOM 1705 CG GLU A 178 4.499 3.734 -5.459 1.00 0.40 C ATOM 1706 CD GLU A 178 4.407 4.526 -6.747 1.00 1.20 C ATOM 1707 OE1 GLU A 178 3.276 4.773 -7.220 1.00 1.91 O ATOM 1708 OE2 GLU A 178 5.461 4.915 -7.288 1.00 1.96 O ATOM 0 H GLU A 178 4.663 6.251 -2.095 1.00 0.34 H new ATOM 0 HA GLU A 178 3.818 6.307 -4.935 1.00 0.32 H new ATOM 0 HB2 GLU A 178 5.919 4.987 -4.464 1.00 0.37 H new ATOM 0 HB3 GLU A 178 4.982 3.970 -3.388 1.00 0.37 H new ATOM 0 HG2 GLU A 178 5.214 2.921 -5.585 1.00 0.40 H new ATOM 0 HG3 GLU A 178 3.532 3.277 -5.246 1.00 0.40 H new ATOM 1715 N TRP A 179 1.578 5.518 -4.264 1.00 0.28 N ATOM 1716 CA TRP A 179 0.243 5.079 -3.898 1.00 0.26 C ATOM 1717 C TRP A 179 -0.107 3.770 -4.581 1.00 0.27 C ATOM 1718 O TRP A 179 0.229 3.552 -5.744 1.00 0.38 O ATOM 1719 CB TRP A 179 -0.807 6.122 -4.291 1.00 0.27 C ATOM 1720 CG TRP A 179 -0.893 7.305 -3.377 1.00 0.27 C ATOM 1721 CD1 TRP A 179 -0.390 8.555 -3.596 1.00 0.32 C ATOM 1722 CD2 TRP A 179 -1.545 7.353 -2.102 1.00 0.24 C ATOM 1723 NE1 TRP A 179 -0.699 9.376 -2.542 1.00 0.32 N ATOM 1724 CE2 TRP A 179 -1.401 8.663 -1.612 1.00 0.27 C ATOM 1725 CE3 TRP A 179 -2.238 6.418 -1.326 1.00 0.20 C ATOM 1726 CZ2 TRP A 179 -1.925 9.064 -0.390 1.00 0.27 C ATOM 1727 CZ3 TRP A 179 -2.757 6.816 -0.111 1.00 0.21 C ATOM 1728 CH2 TRP A 179 -2.598 8.132 0.348 1.00 0.24 C ATOM 0 H TRP A 179 1.627 6.038 -5.140 1.00 0.28 H new ATOM 0 HA TRP A 179 0.240 4.943 -2.817 1.00 0.26 H new ATOM 0 HB2 TRP A 179 -0.588 6.475 -5.299 1.00 0.27 H new ATOM 0 HB3 TRP A 179 -1.783 5.638 -4.328 1.00 0.27 H new ATOM 0 HD1 TRP A 179 0.169 8.853 -4.471 1.00 0.32 H new ATOM 0 HE1 TRP A 179 -0.445 10.361 -2.465 1.00 0.32 H new ATOM 0 HE3 TRP A 179 -2.365 5.403 -1.672 1.00 0.20 H new ATOM 0 HZ2 TRP A 179 -1.805 10.077 -0.036 1.00 0.27 H new ATOM 0 HZ3 TRP A 179 -3.294 6.103 0.496 1.00 0.21 H new ATOM 0 HH2 TRP A 179 -3.016 8.414 1.303 1.00 0.24 H new ATOM 1739 N SER A 180 -0.774 2.902 -3.851 1.00 0.23 N ATOM 1740 CA SER A 180 -1.405 1.741 -4.441 1.00 0.28 C ATOM 1741 C SER A 180 -2.722 2.210 -5.049 1.00 0.28 C ATOM 1742 O SER A 180 -3.299 3.193 -4.578 1.00 0.36 O ATOM 1743 CB SER A 180 -1.645 0.674 -3.365 1.00 0.33 C ATOM 1744 OG SER A 180 -1.747 -0.623 -3.920 1.00 1.06 O ATOM 0 H SER A 180 -0.894 2.980 -2.841 1.00 0.23 H new ATOM 0 HA SER A 180 -0.774 1.293 -5.208 1.00 0.28 H new ATOM 0 HB2 SER A 180 -0.828 0.697 -2.643 1.00 0.33 H new ATOM 0 HB3 SER A 180 -2.559 0.908 -2.819 1.00 0.33 H new ATOM 0 HG SER A 180 -2.109 -0.562 -4.829 1.00 1.06 H new ATOM 1750 N GLU A 181 -3.186 1.549 -6.101 1.00 0.31 N ATOM 1751 CA GLU A 181 -4.419 1.968 -6.761 1.00 0.38 C ATOM 1752 C GLU A 181 -5.592 1.836 -5.799 1.00 0.34 C ATOM 1753 O GLU A 181 -5.748 0.813 -5.143 1.00 0.49 O ATOM 1754 CB GLU A 181 -4.678 1.157 -8.034 1.00 0.56 C ATOM 1755 CG GLU A 181 -3.613 1.346 -9.105 1.00 0.74 C ATOM 1756 CD GLU A 181 -4.076 0.882 -10.468 1.00 1.38 C ATOM 1757 OE1 GLU A 181 -4.663 1.703 -11.205 1.00 2.12 O ATOM 1758 OE2 GLU A 181 -3.865 -0.299 -10.812 1.00 1.91 O ATOM 0 H GLU A 181 -2.736 0.731 -6.513 1.00 0.31 H new ATOM 0 HA GLU A 181 -4.309 3.012 -7.053 1.00 0.38 H new ATOM 0 HB2 GLU A 181 -4.737 0.100 -7.775 1.00 0.56 H new ATOM 0 HB3 GLU A 181 -5.648 1.440 -8.444 1.00 0.56 H new ATOM 0 HG2 GLU A 181 -3.337 2.399 -9.157 1.00 0.74 H new ATOM 0 HG3 GLU A 181 -2.716 0.795 -8.822 1.00 0.74 H new ATOM 1765 N PRO A 182 -6.425 2.879 -5.701 1.00 0.29 N ATOM 1766 CA PRO A 182 -7.491 2.938 -4.703 1.00 0.26 C ATOM 1767 C PRO A 182 -8.562 1.879 -4.939 1.00 0.28 C ATOM 1768 O PRO A 182 -9.251 1.883 -5.964 1.00 0.32 O ATOM 1769 CB PRO A 182 -8.068 4.348 -4.866 1.00 0.29 C ATOM 1770 CG PRO A 182 -7.689 4.773 -6.245 1.00 0.35 C ATOM 1771 CD PRO A 182 -6.405 4.063 -6.576 1.00 0.39 C ATOM 0 HA PRO A 182 -7.119 2.741 -3.698 1.00 0.26 H new ATOM 0 HB2 PRO A 182 -9.151 4.347 -4.739 1.00 0.29 H new ATOM 0 HB3 PRO A 182 -7.660 5.029 -4.119 1.00 0.29 H new ATOM 0 HG2 PRO A 182 -8.471 4.513 -6.959 1.00 0.35 H new ATOM 0 HG3 PRO A 182 -7.558 5.854 -6.295 1.00 0.35 H new ATOM 0 HD2 PRO A 182 -6.362 3.782 -7.628 1.00 0.39 H new ATOM 0 HD3 PRO A 182 -5.537 4.692 -6.379 1.00 0.39 H new ATOM 1779 N MET A 183 -8.682 0.961 -3.994 1.00 0.28 N ATOM 1780 CA MET A 183 -9.680 -0.088 -4.074 1.00 0.30 C ATOM 1781 C MET A 183 -10.883 0.265 -3.218 1.00 0.26 C ATOM 1782 O MET A 183 -10.738 0.729 -2.085 1.00 0.25 O ATOM 1783 CB MET A 183 -9.109 -1.449 -3.646 1.00 0.34 C ATOM 1784 CG MET A 183 -8.348 -1.439 -2.327 1.00 0.29 C ATOM 1785 SD MET A 183 -6.684 -0.759 -2.495 1.00 0.31 S ATOM 1786 CE MET A 183 -6.085 -0.874 -0.816 1.00 0.27 C ATOM 0 H MET A 183 -8.097 0.923 -3.160 1.00 0.28 H new ATOM 0 HA MET A 183 -9.990 -0.170 -5.116 1.00 0.30 H new ATOM 0 HB2 MET A 183 -9.929 -2.163 -3.570 1.00 0.34 H new ATOM 0 HB3 MET A 183 -8.443 -1.810 -4.430 1.00 0.34 H new ATOM 0 HG2 MET A 183 -8.904 -0.854 -1.595 1.00 0.29 H new ATOM 0 HG3 MET A 183 -8.284 -2.456 -1.940 1.00 0.29 H new ATOM 0 HE1 MET A 183 -5.109 -0.393 -0.744 1.00 0.27 H new ATOM 0 HE2 MET A 183 -6.785 -0.376 -0.145 1.00 0.27 H new ATOM 0 HE3 MET A 183 -5.994 -1.923 -0.533 1.00 0.27 H new ATOM 1796 N ARG A 184 -12.067 0.053 -3.765 1.00 0.28 N ATOM 1797 CA ARG A 184 -13.288 0.339 -3.045 1.00 0.29 C ATOM 1798 C ARG A 184 -13.968 -0.958 -2.658 1.00 0.31 C ATOM 1799 O ARG A 184 -14.559 -1.642 -3.496 1.00 0.39 O ATOM 1800 CB ARG A 184 -14.234 1.203 -3.883 1.00 0.35 C ATOM 1801 CG ARG A 184 -15.512 1.582 -3.147 1.00 1.17 C ATOM 1802 CD ARG A 184 -16.453 2.395 -4.023 1.00 1.16 C ATOM 1803 NE ARG A 184 -17.655 2.807 -3.297 1.00 1.88 N ATOM 1804 CZ ARG A 184 -18.322 3.937 -3.538 1.00 2.24 C ATOM 1805 NH1 ARG A 184 -17.934 4.753 -4.513 1.00 1.94 N ATOM 1806 NH2 ARG A 184 -19.392 4.239 -2.816 1.00 3.32 N ATOM 0 H ARG A 184 -12.205 -0.316 -4.706 1.00 0.28 H new ATOM 0 HA ARG A 184 -13.034 0.898 -2.144 1.00 0.29 H new ATOM 0 HB2 ARG A 184 -13.714 2.112 -4.185 1.00 0.35 H new ATOM 0 HB3 ARG A 184 -14.494 0.666 -4.795 1.00 0.35 H new ATOM 0 HG2 ARG A 184 -16.019 0.677 -2.812 1.00 1.17 H new ATOM 0 HG3 ARG A 184 -15.260 2.156 -2.255 1.00 1.17 H new ATOM 0 HD2 ARG A 184 -15.932 3.278 -4.393 1.00 1.16 H new ATOM 0 HD3 ARG A 184 -16.739 1.805 -4.894 1.00 1.16 H new ATOM 0 HE ARG A 184 -18.004 2.193 -2.562 1.00 1.88 H new ATOM 0 HH11 ARG A 184 -17.121 4.517 -5.083 1.00 1.94 H new ATOM 0 HH12 ARG A 184 -18.449 5.615 -4.692 1.00 1.94 H new ATOM 0 HH21 ARG A 184 -19.704 3.608 -2.078 1.00 3.32 H new ATOM 0 HH22 ARG A 184 -19.903 5.102 -2.999 1.00 3.32 H new ATOM 1820 N LEU A 185 -13.862 -1.299 -1.390 1.00 0.28 N ATOM 1821 CA LEU A 185 -14.492 -2.493 -0.881 1.00 0.32 C ATOM 1822 C LEU A 185 -15.916 -2.174 -0.497 1.00 0.36 C ATOM 1823 O LEU A 185 -16.160 -1.486 0.485 1.00 0.51 O ATOM 1824 CB LEU A 185 -13.750 -3.040 0.337 1.00 0.36 C ATOM 1825 CG LEU A 185 -12.265 -3.328 0.134 1.00 0.46 C ATOM 1826 CD1 LEU A 185 -11.703 -4.035 1.353 1.00 0.75 C ATOM 1827 CD2 LEU A 185 -12.036 -4.159 -1.120 1.00 0.74 C ATOM 0 H LEU A 185 -13.344 -0.763 -0.694 1.00 0.28 H new ATOM 0 HA LEU A 185 -14.468 -3.253 -1.662 1.00 0.32 H new ATOM 0 HB2 LEU A 185 -13.854 -2.326 1.154 1.00 0.36 H new ATOM 0 HB3 LEU A 185 -14.240 -3.961 0.654 1.00 0.36 H new ATOM 0 HG LEU A 185 -11.744 -2.379 0.004 1.00 0.46 H new ATOM 0 HD11 LEU A 185 -10.643 -4.237 1.200 1.00 0.75 H new ATOM 0 HD12 LEU A 185 -11.829 -3.402 2.231 1.00 0.75 H new ATOM 0 HD13 LEU A 185 -12.233 -4.975 1.505 1.00 0.75 H new ATOM 0 HD21 LEU A 185 -10.970 -4.350 -1.241 1.00 0.74 H new ATOM 0 HD22 LEU A 185 -12.566 -5.107 -1.030 1.00 0.74 H new ATOM 0 HD23 LEU A 185 -12.408 -3.616 -1.989 1.00 0.74 H new